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 2b2q_1_B DATA FIRST_RESID 35 DATA SEQUENCE NGTSNRDWWP NQLDLSILHR HSSLSDPMGK DFNYAQAFEK LDLAAVKRDL DATA SEQUENCE HALMTTSQDW WPADFGHYGG LFIRMAWHSA GTYRTADGRG GAGEGQQRFA DATA SEQUENCE PLNSWPDNAN LDKARRLLWP IKQKYGRAIS WADLLILTGN VALESMGFKT DATA SEQUENCE FGFAGGRADT WEPEDVYWGS EKIWLELSGG PNSRYSGDRQ LENPLAAVQM DATA SEQUENCE GLIYVNPEGP DGNPDPVAAA RDIRDTFARM AMNDEETVAL IAGGHTFGKT DATA SEQUENCE HGAGPASNVG AEPEAAGIEA QGLGWKSAYR TGKGADAITS GLEVTWTTTP DATA SEQUENCE TQWSHNFFEN LFGYEWELTK SPAGAHQWVA KGADAVIPDA FDPSKKHRPT DATA SEQUENCE MLTTDLSLRF DPAYEKISRR FHENPEQFAD AFARAWFKLT HRDMGPRARY DATA SEQUENCE LGPEVPAEVL LWQDPIPAVD HPLIDAADAA ELKAKVLASG LTVSQLVSTA DATA SEQUENCE WAAASTFRGS DKRGGANGAR IRLAPQKDWE ANQPEQLAAV LETLEAIRTA DATA SEQUENCE FNGAQRGGKQ VSLADLIVLA GCAGVEQAAK NAGHAVTVPF APGRADASQE DATA SEQUENCE QTDVESMAVL EPVADGFRNY LKGKYRVPAE VLLVDKAQLL TLSAPEMTVL DATA SEQUENCE LGGLRVLGAN VGQSRHGVFT AREQALTNDF FVNLLDMGTE WKPTAADADV DATA SEQUENCE FEGRDRATGE LKWTGTRVDL VFGSHSQLRA LAEVYGSADA QEKFVRDFVA DATA SEQUENCE VWNKVMNLDR FDLA 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 35 N HA 0.000 nan 4.740 nan 0.000 0.220 35 N C 0.000 175.477 175.510 -0.054 0.000 1.280 35 N CA 0.000 53.024 53.050 -0.043 0.000 0.885 35 N CB 0.000 38.468 38.487 -0.032 0.000 1.341 36 G N 0.459 109.234 108.800 -0.043 0.000 2.442 36 G HA2 0.469 4.432 3.960 0.005 0.000 0.249 36 G HA3 0.469 4.432 3.960 0.005 0.000 0.249 36 G C 0.242 175.089 174.900 -0.088 0.000 1.263 36 G CA 0.949 46.024 45.100 -0.042 0.000 0.846 36 G HN 0.941 nan 8.290 nan 0.000 0.555 37 T N 1.067 115.548 114.554 -0.123 0.000 2.901 37 T HA 0.405 4.758 4.350 0.005 0.000 0.301 37 T C 0.930 175.516 174.700 -0.190 0.000 1.012 37 T CA 0.087 62.013 62.100 -0.290 0.000 1.135 37 T CB 0.921 69.503 68.868 -0.478 0.000 0.936 37 T HN 0.820 nan 8.240 nan 0.000 0.539 38 S N 2.390 117.936 115.700 -0.257 0.000 2.726 38 S HA 0.409 4.882 4.470 0.005 0.000 0.308 38 S C 1.037 175.607 174.600 -0.050 0.000 1.115 38 S CA -0.971 57.185 58.200 -0.074 0.000 0.965 38 S CB 1.101 64.275 63.200 -0.045 0.000 1.145 38 S HN 0.470 nan 8.310 nan 0.000 0.532 39 N N 0.705 119.514 118.700 0.181 0.000 2.166 39 N HA -0.054 4.689 4.740 0.005 0.000 0.186 39 N C 1.631 177.298 175.510 0.261 0.000 1.019 39 N CA 0.964 54.252 53.050 0.396 0.000 0.856 39 N CB -0.683 38.072 38.487 0.446 0.000 0.993 39 N HN 0.598 nan 8.380 nan 0.000 0.426 40 R N 1.160 121.730 120.500 0.116 0.000 2.105 40 R HA -0.076 4.267 4.340 0.005 0.000 0.239 40 R C 1.158 177.425 176.300 -0.056 0.000 1.135 40 R CA 1.302 57.436 56.100 0.056 0.000 0.967 40 R CB -0.232 30.082 30.300 0.024 0.000 0.861 40 R HN 0.230 nan 8.270 nan 0.000 0.442 41 D N -1.281 118.993 120.400 -0.210 0.000 2.084 41 D HA -0.178 4.465 4.640 0.005 0.000 0.196 41 D C 1.792 177.829 176.300 -0.438 0.000 0.985 41 D CA 1.311 55.080 54.000 -0.384 0.000 0.826 41 D CB -0.474 39.957 40.800 -0.615 0.000 0.978 41 D HN 0.335 nan 8.370 nan 0.000 0.456 42 W N -0.214 120.808 121.300 -0.463 0.000 2.388 42 W HA -0.059 4.603 4.660 0.005 0.000 0.294 42 W C 0.668 176.585 176.519 -1.004 0.000 1.212 42 W CA 0.104 56.862 57.345 -0.977 0.000 1.271 42 W CB 0.062 28.345 29.460 -1.962 0.000 1.126 42 W HN -0.034 nan 8.180 nan 0.000 0.535 43 W N 0.872 122.299 121.300 0.211 0.000 2.104 43 W HA 0.235 4.898 4.660 0.005 0.000 0.291 43 W C -2.040 174.522 176.519 0.071 0.000 0.936 43 W CA -1.761 55.657 57.345 0.122 0.000 1.856 43 W CB -0.252 29.268 29.460 0.099 0.000 2.036 43 W HN -0.177 nan 8.180 nan 0.000 0.393 44 P HA -0.081 nan 4.420 nan 0.000 0.233 44 P C 0.677 178.034 177.300 0.095 0.000 1.167 44 P CA 1.151 64.301 63.100 0.083 0.000 0.770 44 P CB 0.482 32.196 31.700 0.024 0.000 0.837 45 N N -0.397 118.376 118.700 0.122 0.000 2.235 45 N HA 0.052 4.795 4.740 0.005 0.000 0.209 45 N C 0.642 176.214 175.510 0.104 0.000 1.122 45 N CA 0.065 53.171 53.050 0.093 0.000 0.845 45 N CB 0.128 38.663 38.487 0.080 0.000 1.004 45 N HN 0.240 nan 8.380 nan 0.000 0.499 46 Q N 0.868 120.756 119.800 0.147 0.000 2.312 46 Q HA 0.265 4.608 4.340 0.005 0.000 0.236 46 Q C -0.536 175.537 176.000 0.121 0.000 0.965 46 Q CA -0.551 55.336 55.803 0.140 0.000 0.894 46 Q CB 0.765 29.607 28.738 0.174 0.000 1.225 46 Q HN 0.131 nan 8.270 nan 0.000 0.478 47 L N 2.721 124.023 121.223 0.132 0.000 2.455 47 L HA 0.205 4.548 4.340 0.005 0.000 0.272 47 L C -0.826 176.085 176.870 0.069 0.000 1.174 47 L CA 0.599 55.466 54.840 0.045 0.000 0.869 47 L CB 0.635 42.657 42.059 -0.061 0.000 1.130 47 L HN 0.675 nan 8.230 nan 0.000 0.474 48 D N 4.174 124.579 120.400 0.009 0.000 2.443 48 D HA 0.188 4.831 4.640 0.005 0.000 0.221 48 D C 0.770 177.042 176.300 -0.046 0.000 1.097 48 D CA -0.048 53.963 54.000 0.017 0.000 0.865 48 D CB 0.568 41.380 40.800 0.020 0.000 1.034 48 D HN 0.608 nan 8.370 nan 0.000 0.511 49 L N 2.461 123.656 121.223 -0.046 0.000 2.492 49 L HA -0.036 4.307 4.340 0.005 0.000 0.223 49 L C 2.219 179.010 176.870 -0.133 0.000 1.132 49 L CA 0.399 55.175 54.840 -0.107 0.000 0.850 49 L CB -0.301 41.733 42.059 -0.042 0.000 0.966 49 L HN 0.389 nan 8.230 nan 0.000 0.454 50 S N 0.836 116.523 115.700 -0.022 0.000 2.442 50 S HA -0.185 4.288 4.470 0.005 0.000 0.236 50 S C 1.898 176.454 174.600 -0.075 0.000 1.007 50 S CA 1.006 59.208 58.200 0.004 0.000 0.965 50 S CB -0.732 62.496 63.200 0.046 0.000 0.773 50 S HN 0.628 nan 8.310 nan 0.000 0.504 51 I N -1.160 119.353 120.570 -0.096 0.000 2.614 51 I HA 0.033 4.206 4.170 0.005 0.000 0.258 51 I C 1.859 177.905 176.117 -0.117 0.000 1.189 51 I CA 1.099 62.349 61.300 -0.083 0.000 1.462 51 I CB -0.423 37.543 38.000 -0.057 0.000 1.092 51 I HN 0.220 nan 8.210 nan 0.000 0.442 52 L N 0.281 121.339 121.223 -0.275 0.000 2.492 52 L HA 0.025 4.368 4.340 0.005 0.000 0.223 52 L C 1.178 177.860 176.870 -0.313 0.000 1.132 52 L CA 0.826 55.461 54.840 -0.341 0.000 0.850 52 L CB -0.645 41.130 42.059 -0.473 0.000 0.966 52 L HN 0.407 nan 8.230 nan 0.000 0.454 53 H N -2.098 116.993 119.070 0.036 0.000 2.662 53 H HA 0.220 4.779 4.556 0.005 0.000 0.268 53 H C 0.348 175.673 175.328 -0.006 0.000 1.152 53 H CA -0.699 55.367 56.048 0.029 0.000 1.072 53 H CB 0.620 30.398 29.762 0.028 0.000 1.660 53 H HN -0.019 nan 8.280 nan 0.000 0.584 54 R N 1.102 121.612 120.500 0.016 0.000 2.679 54 R HA 0.031 4.374 4.340 0.005 0.000 0.269 54 R C 0.063 176.306 176.300 -0.095 0.000 1.076 54 R CA 0.189 56.188 56.100 -0.170 0.000 1.160 54 R CB -0.014 30.118 30.300 -0.281 0.000 1.054 54 R HN 0.420 nan 8.270 nan 0.000 0.507 55 H N -1.075 118.031 119.070 0.060 0.000 2.839 55 H HA -0.174 4.385 4.556 0.005 0.000 0.298 55 H C -0.282 175.109 175.328 0.106 0.000 1.224 55 H CA 0.772 56.873 56.048 0.088 0.000 1.144 55 H CB -2.178 27.631 29.762 0.078 0.000 1.372 55 H HN 0.617 nan 8.280 nan 0.000 0.408 56 S N -0.306 115.469 115.700 0.126 0.000 2.624 56 S HA 0.282 4.755 4.470 0.005 0.000 0.263 56 S C 1.776 176.438 174.600 0.104 0.000 1.287 56 S CA -0.057 58.209 58.200 0.111 0.000 0.990 56 S CB 1.832 65.076 63.200 0.074 0.000 0.950 56 S HN 0.413 nan 8.310 nan 0.000 0.561 57 S N 0.925 116.675 115.700 0.083 0.000 2.442 57 S HA -0.078 4.395 4.470 0.005 0.000 0.236 57 S C 1.745 176.365 174.600 0.034 0.000 1.007 57 S CA 0.889 59.129 58.200 0.066 0.000 0.965 57 S CB -1.026 62.207 63.200 0.055 0.000 0.773 57 S HN 0.665 nan 8.310 nan 0.000 0.504 58 L N 2.120 123.360 121.223 0.028 0.000 2.046 58 L HA -0.073 4.270 4.340 0.005 0.000 0.208 58 L C 3.006 179.872 176.870 -0.006 0.000 1.077 58 L CA 1.543 56.386 54.840 0.006 0.000 0.747 58 L CB -0.901 41.162 42.059 0.006 0.000 0.896 58 L HN 0.572 nan 8.230 nan 0.000 0.432 59 S N -2.221 113.487 115.700 0.013 0.000 2.527 59 S HA -0.055 4.418 4.470 0.005 0.000 0.222 59 S C 0.698 175.292 174.600 -0.010 0.000 0.985 59 S CA -0.146 58.063 58.200 0.015 0.000 0.921 59 S CB -0.304 62.918 63.200 0.035 0.000 0.772 59 S HN 0.285 nan 8.310 nan 0.000 0.529 60 D N 3.184 123.559 120.400 -0.041 0.000 2.316 60 D HA 0.283 4.926 4.640 0.005 0.000 0.245 60 D C -1.353 174.733 176.300 -0.356 0.000 1.171 60 D CA -2.196 51.681 54.000 -0.204 0.000 0.856 60 D CB 1.684 42.495 40.800 0.017 0.000 1.090 60 D HN 0.092 nan 8.370 nan 0.000 0.476 61 P HA 0.022 nan 4.420 nan 0.000 0.240 61 P C 0.257 177.321 177.300 -0.392 0.000 1.190 61 P CA 0.137 62.933 63.100 -0.506 0.000 0.781 61 P CB 0.278 31.584 31.700 -0.658 0.000 0.931 62 M N 0.166 119.535 119.600 -0.386 0.000 2.291 62 M HA 0.387 4.870 4.480 0.005 0.000 0.324 62 M C 1.213 177.477 176.300 -0.059 0.000 1.148 62 M CA -0.985 54.167 55.300 -0.248 0.000 1.104 62 M CB -0.057 32.385 32.600 -0.263 0.000 1.483 62 M HN -0.198 nan 8.290 nan 0.000 0.467 63 G N 1.003 109.811 108.800 0.013 0.000 2.636 63 G HA2 0.120 4.083 3.960 0.005 0.000 0.246 63 G HA3 0.120 4.083 3.960 0.005 0.000 0.246 63 G C 0.696 175.675 174.900 0.132 0.000 1.216 63 G CA -0.449 44.692 45.100 0.069 0.000 0.854 63 G HN 0.791 nan 8.290 nan 0.000 0.572 64 K N -0.363 120.096 120.400 0.098 0.000 2.147 64 K HA -0.084 4.239 4.320 0.005 0.000 0.205 64 K C 1.152 177.826 176.600 0.123 0.000 1.049 64 K CA 1.361 57.709 56.287 0.102 0.000 0.936 64 K CB 0.119 32.660 32.500 0.068 0.000 0.722 64 K HN 0.385 nan 8.250 nan 0.000 0.446 65 D N -0.023 120.453 120.400 0.126 0.000 2.340 65 D HA -0.034 4.609 4.640 0.005 0.000 0.220 65 D C 0.082 176.472 176.300 0.150 0.000 1.039 65 D CA -0.007 54.061 54.000 0.113 0.000 0.866 65 D CB -0.171 40.681 40.800 0.087 0.000 0.913 65 D HN -0.000 nan 8.370 nan 0.000 0.523 66 F N 2.548 122.549 119.950 0.083 0.000 2.590 66 F HA 0.047 4.577 4.527 0.005 0.000 0.389 66 F C 0.475 176.359 175.800 0.139 0.000 1.049 66 F CA -0.264 57.804 58.000 0.114 0.000 1.199 66 F CB 0.225 39.306 39.000 0.135 0.000 1.058 66 F HN -0.262 nan 8.300 nan 0.000 0.556 67 N N 6.354 124.676 118.700 -0.630 0.000 2.564 67 N HA 0.000 4.743 4.740 0.005 0.000 0.248 67 N C 0.412 175.451 175.510 -0.784 0.000 0.986 67 N CA -0.392 52.357 53.050 -0.501 0.000 0.921 67 N CB 0.326 38.688 38.487 -0.209 0.000 1.136 67 N HN 0.790 nan 8.380 nan 0.000 0.509 68 Y N 4.619 124.437 120.300 -0.804 0.000 2.165 68 Y HA -0.140 4.413 4.550 0.005 0.000 0.286 68 Y C 1.999 177.843 175.900 -0.095 0.000 1.155 68 Y CA 2.298 60.144 58.100 -0.423 0.000 1.164 68 Y CB -0.260 38.188 38.460 -0.020 0.000 0.978 68 Y HN 0.633 nan 8.280 nan 0.000 0.513 69 A N 0.232 122.882 122.820 -0.282 0.000 1.917 69 A HA -0.310 4.013 4.320 0.005 0.000 0.219 69 A C 2.157 179.641 177.584 -0.166 0.000 1.182 69 A CA 2.192 54.096 52.037 -0.221 0.000 0.633 69 A CB -0.871 18.086 19.000 -0.072 0.000 0.819 69 A HN 0.680 nan 8.150 nan 0.000 0.448 70 Q N -0.912 118.794 119.800 -0.156 0.000 2.084 70 Q HA -0.088 4.255 4.340 0.005 0.000 0.202 70 Q C 2.451 178.401 176.000 -0.084 0.000 0.978 70 Q CA 1.373 57.118 55.803 -0.097 0.000 0.844 70 Q CB -0.382 28.308 28.738 -0.081 0.000 0.898 70 Q HN 0.710 nan 8.270 nan 0.000 0.426 71 A N 0.419 123.174 122.820 -0.108 0.000 1.877 71 A HA -0.203 4.120 4.320 0.005 0.000 0.216 71 A C 1.857 179.410 177.584 -0.051 0.000 1.186 71 A CA 1.226 53.268 52.037 0.007 0.000 0.620 71 A CB -0.844 18.286 19.000 0.217 0.000 0.822 71 A HN 0.476 nan 8.150 nan 0.000 0.443 72 F N 0.806 120.533 119.950 -0.372 0.000 2.171 72 F HA -0.122 4.408 4.527 0.005 0.000 0.300 72 F C 2.140 177.850 175.800 -0.149 0.000 1.090 72 F CA 1.894 59.701 58.000 -0.321 0.000 1.293 72 F CB 0.023 38.679 39.000 -0.574 0.000 1.013 72 F HN 0.200 nan 8.300 nan 0.000 0.486 73 E N 0.505 120.642 120.200 -0.104 0.000 2.268 73 E HA -0.148 4.205 4.350 0.005 0.000 0.195 73 E C 1.755 178.258 176.600 -0.161 0.000 0.995 73 E CA 0.903 57.233 56.400 -0.115 0.000 0.836 73 E CB -0.225 29.462 29.700 -0.020 0.000 0.763 73 E HN 0.514 nan 8.360 nan 0.000 0.491 74 K N 0.299 120.616 120.400 -0.139 0.000 2.404 74 K HA 0.061 4.383 4.320 0.005 0.000 0.194 74 K C 0.588 177.111 176.600 -0.129 0.000 1.023 74 K CA -0.328 55.898 56.287 -0.102 0.000 1.094 74 K CB 0.230 32.705 32.500 -0.041 0.000 0.841 74 K HN -0.048 nan 8.250 nan 0.000 0.523 75 L N 2.364 123.439 121.223 -0.246 0.000 2.455 75 L HA 0.010 4.353 4.340 0.005 0.000 0.272 75 L C -0.066 176.667 176.870 -0.229 0.000 1.174 75 L CA 0.283 54.976 54.840 -0.245 0.000 0.869 75 L CB 0.459 42.245 42.059 -0.455 0.000 1.130 75 L HN -0.034 nan 8.230 nan 0.000 0.474 76 D N 4.123 124.453 120.400 -0.116 0.000 2.455 76 D HA -0.020 4.623 4.640 0.005 0.000 0.234 76 D C 0.919 177.115 176.300 -0.175 0.000 1.224 76 D CA 0.003 53.945 54.000 -0.097 0.000 0.999 76 D CB 0.367 41.170 40.800 0.005 0.000 1.072 76 D HN 0.610 nan 8.370 nan 0.000 0.514 77 L N 4.462 125.565 121.223 -0.200 0.000 2.093 77 L HA -0.012 4.331 4.340 0.005 0.000 0.208 77 L C 2.125 178.909 176.870 -0.142 0.000 1.085 77 L CA 1.899 56.619 54.840 -0.200 0.000 0.755 77 L CB -0.644 41.330 42.059 -0.141 0.000 0.904 77 L HN 0.388 nan 8.230 nan 0.000 0.435 78 A N -0.261 122.506 122.820 -0.089 0.000 1.892 78 A HA -0.245 4.078 4.320 0.005 0.000 0.218 78 A C 2.463 180.021 177.584 -0.044 0.000 1.188 78 A CA 2.266 54.272 52.037 -0.052 0.000 0.631 78 A CB -1.255 17.725 19.000 -0.035 0.000 0.822 78 A HN 0.585 nan 8.150 nan 0.000 0.447 79 A N -0.742 122.053 122.820 -0.042 0.000 1.898 79 A HA 0.043 4.366 4.320 0.005 0.000 0.216 79 A C 2.238 179.814 177.584 -0.014 0.000 1.181 79 A CA 1.736 53.787 52.037 0.023 0.000 0.620 79 A CB -0.968 18.104 19.000 0.120 0.000 0.819 79 A HN 0.450 nan 8.150 nan 0.000 0.442 80 V N 0.379 120.131 119.914 -0.270 0.000 2.287 80 V HA -0.313 3.810 4.120 0.005 0.000 0.248 80 V C 2.425 178.412 176.094 -0.178 0.000 1.053 80 V CA 2.438 64.468 62.300 -0.451 0.000 1.027 80 V CB -0.794 30.619 31.823 -0.684 0.000 0.646 80 V HN 0.541 nan 8.190 nan 0.000 0.447 81 K N -0.299 120.025 120.400 -0.127 0.000 2.097 81 K HA -0.147 4.176 4.320 0.005 0.000 0.206 81 K C 2.405 179.073 176.600 0.113 0.000 1.049 81 K CA 1.280 57.547 56.287 -0.034 0.000 0.933 81 K CB -0.245 32.252 32.500 -0.005 0.000 0.717 81 K HN 0.413 nan 8.250 nan 0.000 0.442 82 R N 0.897 121.445 120.500 0.080 0.000 2.073 82 R HA -0.137 4.206 4.340 0.005 0.000 0.234 82 R C 1.795 178.155 176.300 0.101 0.000 1.134 82 R CA 1.646 57.802 56.100 0.093 0.000 0.952 82 R CB -0.253 30.071 30.300 0.040 0.000 0.850 82 R HN 0.209 nan 8.270 nan 0.000 0.433 83 D N 0.718 121.162 120.400 0.074 0.000 2.144 83 D HA -0.122 4.521 4.640 0.005 0.000 0.199 83 D C 2.013 178.339 176.300 0.043 0.000 0.984 83 D CA 0.967 55.012 54.000 0.075 0.000 0.834 83 D CB -0.173 40.701 40.800 0.124 0.000 0.955 83 D HN 0.168 nan 8.370 nan 0.000 0.465 84 L N 0.312 121.529 121.223 -0.010 0.000 2.046 84 L HA -0.193 4.150 4.340 0.005 0.000 0.208 84 L C 2.548 179.387 176.870 -0.052 0.000 1.077 84 L CA 1.109 55.897 54.840 -0.087 0.000 0.747 84 L CB -0.496 41.449 42.059 -0.189 0.000 0.896 84 L HN 0.201 nan 8.230 nan 0.000 0.432 85 H N -0.270 118.791 119.070 -0.015 0.000 2.319 85 H HA -0.157 4.402 4.556 0.005 0.000 0.299 85 H C 2.271 177.605 175.328 0.011 0.000 1.092 85 H CA 1.685 57.738 56.048 0.008 0.000 1.302 85 H CB -0.008 29.759 29.762 0.009 0.000 1.373 85 H HN 0.382 nan 8.280 nan 0.000 0.497 86 A N 1.084 123.988 122.820 0.140 0.000 1.908 86 A HA -0.155 4.168 4.320 0.005 0.000 0.218 86 A C 2.517 180.150 177.584 0.082 0.000 1.181 86 A CA 1.453 53.542 52.037 0.088 0.000 0.627 86 A CB -0.791 18.252 19.000 0.072 0.000 0.818 86 A HN 0.326 nan 8.150 nan 0.000 0.445 87 L N -0.925 120.355 121.223 0.095 0.000 2.131 87 L HA -0.141 4.202 4.340 0.005 0.000 0.210 87 L C 2.226 179.236 176.870 0.234 0.000 1.092 87 L CA 1.759 56.692 54.840 0.156 0.000 0.759 87 L CB -0.468 41.672 42.059 0.134 0.000 0.903 87 L HN 0.291 nan 8.230 nan 0.000 0.435 88 M N -0.366 119.316 119.600 0.136 0.000 2.143 88 M HA -0.166 4.317 4.480 0.005 0.000 0.258 88 M C 1.713 177.919 176.300 -0.158 0.000 1.071 88 M CA 2.141 57.462 55.300 0.035 0.000 1.088 88 M CB -1.829 30.627 32.600 -0.240 0.000 1.360 88 M HN 0.626 nan 8.290 nan 0.000 0.404 89 T N -4.099 110.376 114.554 -0.132 0.000 3.228 89 T HA 0.186 4.538 4.350 0.005 0.000 0.278 89 T C 0.221 174.889 174.700 -0.054 0.000 1.014 89 T CA -0.330 61.679 62.100 -0.150 0.000 0.904 89 T CB -0.381 68.416 68.868 -0.118 0.000 1.110 89 T HN 0.088 nan 8.240 nan 0.000 0.541 90 T N 2.564 117.145 114.554 0.046 0.000 3.151 90 T HA 0.415 4.768 4.350 0.005 0.000 0.332 90 T C 0.137 174.920 174.700 0.138 0.000 1.245 90 T CA -0.302 61.848 62.100 0.082 0.000 1.019 90 T CB 0.599 69.536 68.868 0.114 0.000 1.109 90 T HN 0.370 nan 8.240 nan 0.000 0.621 91 S N 3.676 119.375 115.700 -0.002 0.000 2.531 91 S HA 0.152 4.625 4.470 0.005 0.000 0.279 91 S C 0.091 174.707 174.600 0.027 0.000 1.305 91 S CA -0.612 57.559 58.200 -0.048 0.000 1.058 91 S CB 0.292 63.394 63.200 -0.163 0.000 0.899 91 S HN 0.445 nan 8.310 nan 0.000 0.493 92 Q N 3.175 122.980 119.800 0.008 0.000 2.230 92 Q HA 0.246 4.589 4.340 0.005 0.000 0.253 92 Q C 0.180 176.007 176.000 -0.288 0.000 0.919 92 Q CA -0.607 55.047 55.803 -0.247 0.000 0.908 92 Q CB 1.419 29.693 28.738 -0.773 0.000 1.245 92 Q HN 0.680 nan 8.270 nan 0.000 0.437 93 D N 1.395 121.706 120.400 -0.148 0.000 2.269 93 D HA -0.115 4.528 4.640 0.005 0.000 0.208 93 D C 1.599 177.924 176.300 0.042 0.000 0.963 93 D CA 0.761 54.739 54.000 -0.036 0.000 0.864 93 D CB 0.111 40.940 40.800 0.048 0.000 0.936 93 D HN 0.688 nan 8.370 nan 0.000 0.505 94 W N -1.441 119.953 121.300 0.158 0.000 2.699 94 W HA 0.029 4.692 4.660 0.005 0.000 0.249 94 W C 0.303 177.039 176.519 0.361 0.000 1.280 94 W CA -0.161 57.304 57.345 0.200 0.000 1.345 94 W CB -0.430 29.134 29.460 0.173 0.000 1.128 94 W HN -0.038 nan 8.180 nan 0.000 0.642 95 W N 3.204 124.358 121.300 -0.244 0.000 1.896 95 W HA 0.237 4.900 4.660 0.005 0.000 0.302 95 W C -2.882 173.599 176.519 -0.064 0.000 1.016 95 W CA -1.874 55.400 57.345 -0.119 0.000 1.200 95 W CB 0.633 30.026 29.460 -0.113 0.000 1.226 95 W HN -0.367 nan 8.180 nan 0.000 0.308 96 P HA 0.032 nan 4.420 nan 0.000 0.266 96 P C -0.014 177.241 177.300 -0.075 0.000 1.195 96 P CA 0.575 63.610 63.100 -0.108 0.000 0.768 96 P CB 0.778 32.430 31.700 -0.079 0.000 0.838 97 A N 3.268 125.907 122.820 -0.302 0.000 2.491 97 A HA 0.098 4.421 4.320 0.005 0.000 0.261 97 A C 0.134 177.516 177.584 -0.337 0.000 1.101 97 A CA -0.205 51.486 52.037 -0.576 0.000 0.772 97 A CB -0.562 17.714 19.000 -1.206 0.000 1.043 97 A HN 0.447 nan 8.150 nan 0.000 0.501 98 D N 1.986 122.247 120.400 -0.232 0.000 2.488 98 D HA 0.122 4.765 4.640 0.005 0.000 0.238 98 D C 0.499 176.532 176.300 -0.445 0.000 1.138 98 D CA 0.784 54.450 54.000 -0.555 0.000 0.873 98 D CB -0.219 40.452 40.800 -0.215 0.000 1.183 98 D HN 0.525 nan 8.370 nan 0.000 0.458 99 F N 0.267 119.883 119.950 -0.556 0.000 3.048 99 F HA -0.259 4.271 4.527 0.005 0.000 0.287 99 F C 1.592 177.271 175.800 -0.202 0.000 0.796 99 F CA 0.524 58.344 58.000 -0.300 0.000 1.111 99 F CB -2.046 36.874 39.000 -0.133 0.000 1.320 99 F HN 0.640 nan 8.300 nan 0.000 0.430 100 G N -0.575 108.115 108.800 -0.184 0.000 2.168 100 G HA2 -0.324 3.639 3.960 0.005 0.000 0.257 100 G HA3 -0.324 3.639 3.960 0.005 0.000 0.257 100 G C -0.155 174.690 174.900 -0.091 0.000 0.997 100 G CA 0.561 45.577 45.100 -0.139 0.000 0.708 100 G HN 0.977 nan 8.290 nan 0.000 0.520 101 H N -1.730 117.248 119.070 -0.152 0.000 3.096 101 H HA 0.355 4.914 4.556 0.005 0.000 0.335 101 H C -0.031 175.279 175.328 -0.030 0.000 0.990 101 H CA -0.884 55.134 56.048 -0.050 0.000 1.393 101 H CB 0.704 30.507 29.762 0.068 0.000 1.742 101 H HN 0.032 nan 8.280 nan 0.000 0.501 102 Y N 2.867 123.281 120.300 0.190 0.000 2.578 102 Y HA 0.037 4.590 4.550 0.005 0.000 0.297 102 Y C 2.212 178.208 175.900 0.161 0.000 1.176 102 Y CA 0.891 59.024 58.100 0.055 0.000 1.315 102 Y CB -0.081 38.289 38.460 -0.151 0.000 1.031 102 Y HN 0.796 nan 8.280 nan 0.000 0.524 103 G N 0.115 109.288 108.800 0.621 0.000 2.459 103 G HA2 -0.284 3.679 3.960 0.005 0.000 0.217 103 G HA3 -0.284 3.679 3.960 0.005 0.000 0.217 103 G C 2.096 177.126 174.900 0.217 0.000 1.183 103 G CA 0.995 46.346 45.100 0.417 0.000 0.776 103 G HN 0.497 nan 8.290 nan 0.000 0.552 104 G N 0.782 109.710 108.800 0.213 0.000 2.446 104 G HA2 -0.186 3.777 3.960 0.005 0.000 0.217 104 G HA3 -0.186 3.777 3.960 0.005 0.000 0.217 104 G C 1.788 176.830 174.900 0.237 0.000 1.168 104 G CA 1.124 46.368 45.100 0.240 0.000 0.771 104 G HN 0.438 nan 8.290 nan 0.000 0.551 105 L N -0.416 120.928 121.223 0.201 0.000 2.042 105 L HA 0.029 4.372 4.340 0.005 0.000 0.210 105 L C 2.519 179.433 176.870 0.073 0.000 1.076 105 L CA 1.708 56.606 54.840 0.097 0.000 0.749 105 L CB -0.529 41.527 42.059 -0.005 0.000 0.893 105 L HN 0.175 nan 8.230 nan 0.000 0.432 106 F N -0.527 119.530 119.950 0.179 0.000 2.234 106 F HA -0.097 4.432 4.527 0.005 0.000 0.299 106 F C 2.308 178.199 175.800 0.152 0.000 1.087 106 F CA 1.094 59.175 58.000 0.134 0.000 1.340 106 F CB -0.730 38.339 39.000 0.115 0.000 1.031 106 F HN 0.046 nan 8.300 nan 0.000 0.500 107 I N -0.328 120.417 120.570 0.292 0.000 2.179 107 I HA -0.301 3.872 4.170 0.005 0.000 0.242 107 I C 2.716 179.082 176.117 0.415 0.000 1.088 107 I CA 1.303 62.749 61.300 0.243 0.000 1.357 107 I CB -0.434 37.556 38.000 -0.015 0.000 1.051 107 I HN 0.029 nan 8.210 nan 0.000 0.409 108 R N 1.099 121.802 120.500 0.338 0.000 2.073 108 R HA -0.230 4.113 4.340 0.005 0.000 0.234 108 R C 2.442 178.824 176.300 0.137 0.000 1.134 108 R CA 1.769 58.058 56.100 0.316 0.000 0.952 108 R CB -0.297 30.098 30.300 0.158 0.000 0.850 108 R HN 0.298 nan 8.270 nan 0.000 0.433 109 M N 0.142 119.821 119.600 0.132 0.000 2.082 109 M HA -0.202 4.281 4.480 0.005 0.000 0.258 109 M C 2.094 178.489 176.300 0.159 0.000 1.069 109 M CA 2.317 57.681 55.300 0.106 0.000 1.102 109 M CB -0.199 32.529 32.600 0.213 0.000 1.336 109 M HN 0.339 nan 8.290 nan 0.000 0.404 110 A N 0.361 123.353 122.820 0.287 0.000 1.897 110 A HA -0.215 4.108 4.320 0.005 0.000 0.215 110 A C 2.046 179.780 177.584 0.251 0.000 1.181 110 A CA 1.316 53.517 52.037 0.274 0.000 0.620 110 A CB -1.544 17.715 19.000 0.432 0.000 0.821 110 A HN 0.926 nan 8.150 nan 0.000 0.443 111 W N 0.491 121.980 121.300 0.315 0.000 2.338 111 W HA -0.231 4.432 4.660 0.004 0.000 0.304 111 W C 1.761 178.417 176.519 0.228 0.000 1.212 111 W CA 1.869 59.379 57.345 0.273 0.000 1.264 111 W CB -0.699 29.049 29.460 0.480 0.000 1.142 111 W HN 0.596 nan 8.180 nan 0.000 0.512 112 H N -0.230 118.523 119.070 -0.530 0.000 2.389 112 H HA -0.150 4.409 4.556 0.005 0.000 0.299 112 H C 2.684 177.730 175.328 -0.469 0.000 1.081 112 H CA 1.337 56.977 56.048 -0.679 0.000 1.345 112 H CB -0.152 29.375 29.762 -0.391 0.000 1.393 112 H HN 0.121 nan 8.280 nan 0.000 0.520 113 S N 0.423 116.027 115.700 -0.159 0.000 2.359 113 S HA -0.218 4.255 4.470 0.005 0.000 0.223 113 S C 2.392 176.862 174.600 -0.217 0.000 1.039 113 S CA 1.248 59.344 58.200 -0.174 0.000 1.042 113 S CB -0.239 62.901 63.200 -0.101 0.000 0.915 113 S HN 0.516 nan 8.310 nan 0.000 0.439 114 A N 0.203 122.893 122.820 -0.217 0.000 1.968 114 A HA 0.234 4.557 4.320 0.005 0.000 0.217 114 A C 2.154 179.617 177.584 -0.203 0.000 1.169 114 A CA 1.429 53.343 52.037 -0.206 0.000 0.638 114 A CB -1.107 17.779 19.000 -0.191 0.000 0.812 114 A HN 0.618 nan 8.150 nan 0.000 0.446 115 G N -0.604 107.920 108.800 -0.460 0.000 2.920 115 G HA2 0.075 4.038 3.960 0.005 0.000 0.208 115 G HA3 0.075 4.038 3.960 0.005 0.000 0.208 115 G C 1.296 175.834 174.900 -0.604 0.000 1.159 115 G CA 1.303 45.975 45.100 -0.713 0.000 0.784 115 G HN 0.620 nan 8.290 nan 0.000 0.535 116 T N -2.837 111.518 114.554 -0.331 0.000 3.113 116 T HA 0.060 4.413 4.350 0.005 0.000 0.256 116 T C 0.936 175.721 174.700 0.143 0.000 1.131 116 T CA -0.452 61.591 62.100 -0.096 0.000 1.074 116 T CB -0.296 68.497 68.868 -0.125 0.000 0.944 116 T HN 0.169 nan 8.240 nan 0.000 0.516 117 Y N 3.235 123.522 120.300 -0.021 0.000 2.610 117 Y HA 0.360 4.912 4.550 0.004 0.000 0.332 117 Y C 0.065 176.002 175.900 0.063 0.000 1.201 117 Y CA -0.761 57.347 58.100 0.014 0.000 1.465 117 Y CB 0.342 38.786 38.460 -0.027 0.000 1.283 117 Y HN 0.060 nan 8.280 nan 0.000 0.563 118 R N 3.512 123.672 120.500 -0.566 0.000 2.480 118 R HA 0.219 4.562 4.340 0.005 0.000 0.306 118 R C 0.884 176.681 176.300 -0.838 0.000 0.958 118 R CA -0.389 55.424 56.100 -0.478 0.000 0.861 118 R CB 1.512 31.676 30.300 -0.227 0.000 1.171 118 R HN 0.752 nan 8.270 nan 0.000 0.445 119 T N 1.361 115.582 114.554 -0.556 0.000 2.833 119 T HA -0.139 4.213 4.350 0.005 0.000 0.269 119 T C 1.842 176.420 174.700 -0.203 0.000 1.054 119 T CA 1.917 63.821 62.100 -0.328 0.000 1.135 119 T CB -0.009 68.831 68.868 -0.047 0.000 0.869 119 T HN 0.668 nan 8.240 nan 0.000 0.466 120 A N 1.946 124.661 122.820 -0.173 0.000 1.892 120 A HA -0.155 4.168 4.320 0.005 0.000 0.218 120 A C 1.917 179.414 177.584 -0.145 0.000 1.188 120 A CA 2.392 54.351 52.037 -0.129 0.000 0.631 120 A CB -0.480 18.455 19.000 -0.109 0.000 0.822 120 A HN 0.772 nan 8.150 nan 0.000 0.447 121 D N -4.360 115.931 120.400 -0.182 0.000 2.500 121 D HA 0.300 4.943 4.640 0.005 0.000 0.218 121 D C 1.137 177.334 176.300 -0.171 0.000 1.140 121 D CA 0.976 54.878 54.000 -0.164 0.000 0.830 121 D CB -0.547 40.159 40.800 -0.156 0.000 1.055 121 D HN 0.922 nan 8.370 nan 0.000 0.512 122 G N 0.902 109.555 108.800 -0.244 0.000 2.189 122 G HA2 -0.364 3.599 3.960 0.005 0.000 0.267 122 G HA3 -0.364 3.599 3.960 0.005 0.000 0.267 122 G C 0.407 175.245 174.900 -0.104 0.000 0.975 122 G CA 0.324 45.318 45.100 -0.177 0.000 0.644 122 G HN 0.459 nan 8.290 nan 0.000 0.537 123 R N 0.292 120.688 120.500 -0.173 0.000 2.649 123 R HA 0.506 4.848 4.340 0.005 0.000 0.270 123 R C 1.327 177.590 176.300 -0.063 0.000 1.105 123 R CA 0.394 56.416 56.100 -0.130 0.000 1.193 123 R CB 0.137 30.304 30.300 -0.221 0.000 1.120 123 R HN 1.402 nan 8.270 nan 0.000 0.561 124 G N -0.435 108.378 108.800 0.023 0.000 2.697 124 G HA2 0.086 4.049 3.960 0.005 0.000 0.240 124 G HA3 0.086 4.049 3.960 0.005 0.000 0.240 124 G C 0.192 175.197 174.900 0.174 0.000 1.346 124 G CA -0.272 44.935 45.100 0.178 0.000 0.887 124 G HN 1.177 nan 8.290 nan 0.000 0.569 125 G N -2.937 105.940 108.800 0.128 0.000 2.710 125 G HA2 0.424 4.387 3.960 0.005 0.000 0.668 125 G HA3 0.424 4.387 3.960 0.005 0.000 0.668 125 G C 0.958 175.803 174.900 -0.091 0.000 1.320 125 G CA 1.141 46.248 45.100 0.012 0.000 0.860 125 G HN 2.471 nan 8.290 nan 0.000 0.538 126 A N -0.443 122.279 122.820 -0.164 0.000 2.169 126 A HA 0.482 4.805 4.320 0.005 0.000 0.212 126 A C 2.629 180.111 177.584 -0.170 0.000 1.153 126 A CA 1.837 53.766 52.037 -0.179 0.000 0.756 126 A CB -0.524 18.341 19.000 -0.226 0.000 0.813 126 A HN 2.327 nan 8.150 nan 0.000 0.471 127 G N -0.184 108.516 108.800 -0.167 0.000 2.470 127 G HA2 -0.131 3.832 3.960 0.005 0.000 0.220 127 G HA3 -0.131 3.832 3.960 0.005 0.000 0.220 127 G C 1.084 175.900 174.900 -0.140 0.000 1.121 127 G CA 0.969 45.969 45.100 -0.166 0.000 0.766 127 G HN 0.656 nan 8.290 nan 0.000 0.553 128 E N -0.897 119.231 120.200 -0.120 0.000 2.583 128 E HA 0.300 4.653 4.350 0.005 0.000 0.213 128 E C 1.331 177.863 176.600 -0.114 0.000 0.989 128 E CA 0.040 56.367 56.400 -0.121 0.000 0.991 128 E CB 0.653 30.290 29.700 -0.105 0.000 1.040 128 E HN 0.263 nan 8.360 nan 0.000 0.481 129 G N 2.413 111.140 108.800 -0.121 0.000 2.305 129 G HA2 -0.323 3.640 3.960 0.005 0.000 0.287 129 G HA3 -0.323 3.640 3.960 0.005 0.000 0.287 129 G C 0.834 175.623 174.900 -0.186 0.000 1.036 129 G CA 0.261 45.275 45.100 -0.144 0.000 0.887 129 G HN 0.200 nan 8.290 nan 0.000 0.505 130 Q N -0.859 118.879 119.800 -0.103 0.000 2.488 130 Q HA -0.005 4.338 4.340 0.005 0.000 0.211 130 Q C 2.328 178.222 176.000 -0.177 0.000 0.967 130 Q CA 1.094 56.885 55.803 -0.021 0.000 0.926 130 Q CB 0.047 28.809 28.738 0.039 0.000 0.992 130 Q HN 0.893 nan 8.270 nan 0.000 0.506 131 Q N 1.175 120.817 119.800 -0.264 0.000 2.297 131 Q HA -0.169 4.174 4.340 0.005 0.000 0.208 131 Q C 1.773 177.549 176.000 -0.373 0.000 0.981 131 Q CA 1.094 56.709 55.803 -0.314 0.000 0.876 131 Q CB 0.132 28.714 28.738 -0.259 0.000 0.921 131 Q HN 0.337 nan 8.270 nan 0.000 0.446 132 R N -1.253 118.923 120.500 -0.540 0.000 2.310 132 R HA 0.096 4.439 4.340 0.005 0.000 0.202 132 R C -0.333 175.549 176.300 -0.698 0.000 0.933 132 R CA -0.061 55.606 56.100 -0.722 0.000 1.054 132 R CB 0.191 29.853 30.300 -1.065 0.000 0.985 132 R HN 0.008 nan 8.270 nan 0.000 0.489 133 F N 0.812 120.627 119.950 -0.225 0.000 2.541 133 F HA 0.596 5.126 4.527 0.005 0.000 0.331 133 F C 0.609 176.318 175.800 -0.152 0.000 1.057 133 F CA -1.540 56.365 58.000 -0.159 0.000 0.975 133 F CB 1.121 40.056 39.000 -0.108 0.000 1.246 133 F HN -0.084 nan 8.300 nan 0.000 0.484 134 A N 1.830 124.726 122.820 0.127 0.000 2.445 134 A HA 0.296 4.619 4.320 0.005 0.000 0.242 134 A C -1.757 175.869 177.584 0.070 0.000 1.075 134 A CA -0.960 51.110 52.037 0.055 0.000 0.777 134 A CB -0.281 18.760 19.000 0.068 0.000 1.013 134 A HN 0.568 nan 8.150 nan 0.000 0.493 135 P HA 0.040 nan 4.420 nan 0.000 0.245 135 P C 1.086 178.233 177.300 -0.254 0.000 1.203 135 P CA 0.497 63.623 63.100 0.043 0.000 0.792 135 P CB 0.102 31.968 31.700 0.277 0.000 0.997 136 L N 0.765 121.653 121.223 -0.559 0.000 2.201 136 L HA -0.129 4.214 4.340 0.005 0.000 0.212 136 L C 2.193 178.791 176.870 -0.454 0.000 1.105 136 L CA 1.456 55.726 54.840 -0.950 0.000 0.775 136 L CB -1.197 40.309 42.059 -0.922 0.000 0.913 136 L HN 0.107 nan 8.230 nan 0.000 0.440 137 N N -1.112 117.427 118.700 -0.268 0.000 2.443 137 N HA -0.153 4.590 4.740 0.005 0.000 0.184 137 N C 1.124 176.616 175.510 -0.031 0.000 1.037 137 N CA 1.262 54.216 53.050 -0.160 0.000 0.896 137 N CB -0.313 38.059 38.487 -0.193 0.000 0.959 137 N HN 0.103 nan 8.380 nan 0.000 0.442 138 S N -1.818 113.856 115.700 -0.044 0.000 2.819 138 S HA 0.176 4.649 4.470 0.005 0.000 0.249 138 S C -0.725 173.896 174.600 0.035 0.000 1.030 138 S CA -0.800 57.367 58.200 -0.055 0.000 1.052 138 S CB 0.077 63.153 63.200 -0.207 0.000 1.017 138 S HN 0.229 nan 8.310 nan 0.000 0.576 139 W N 3.326 124.509 121.300 -0.194 0.000 2.181 139 W HA 0.269 4.932 4.660 0.004 0.000 0.335 139 W C -1.996 174.398 176.519 -0.208 0.000 1.310 139 W CA -1.997 55.124 57.345 -0.372 0.000 1.226 139 W CB -0.188 29.110 29.460 -0.271 0.000 1.155 139 W HN 0.087 nan 8.180 nan 0.000 0.565 140 P HA -0.220 nan 4.420 nan 0.000 0.216 140 P C 1.207 178.427 177.300 -0.134 0.000 1.153 140 P CA 1.845 64.872 63.100 -0.122 0.000 0.858 140 P CB 0.329 31.948 31.700 -0.136 0.000 0.789 141 D N -1.497 118.884 120.400 -0.031 0.000 2.309 141 D HA -0.086 4.557 4.640 0.005 0.000 0.212 141 D C 0.926 177.304 176.300 0.129 0.000 0.968 141 D CA 0.792 54.824 54.000 0.053 0.000 0.882 141 D CB -0.571 40.235 40.800 0.009 0.000 0.918 141 D HN 0.046 nan 8.370 nan 0.000 0.503 142 N N -0.050 118.674 118.700 0.039 0.000 2.251 142 N HA 0.165 4.908 4.740 0.005 0.000 0.217 142 N C -0.347 174.917 175.510 -0.410 0.000 1.124 142 N CA -0.086 52.952 53.050 -0.020 0.000 0.843 142 N CB 0.395 38.909 38.487 0.044 0.000 1.024 142 N HN -0.000 nan 8.380 nan 0.000 0.501 143 A N 0.970 123.276 122.820 -0.856 0.000 2.540 143 A HA 0.120 4.443 4.320 0.005 0.000 0.239 143 A C 0.969 177.995 177.584 -0.930 0.000 1.061 143 A CA 0.028 50.953 52.037 -1.853 0.000 0.758 143 A CB -0.000 18.012 19.000 -1.647 0.000 0.991 143 A HN 0.448 nan 8.150 nan 0.000 0.502 144 N N -0.034 118.204 118.700 -0.769 0.000 2.857 144 N HA -0.191 4.552 4.740 0.005 0.000 0.242 144 N C 0.746 176.052 175.510 -0.341 0.000 0.983 144 N CA 1.555 54.334 53.050 -0.451 0.000 0.934 144 N CB -1.278 36.921 38.487 -0.481 0.000 1.115 144 N HN 0.681 nan 8.380 nan 0.000 0.593 145 L N 1.141 122.223 121.223 -0.235 0.000 2.376 145 L HA -0.114 4.228 4.340 0.005 0.000 0.219 145 L C 2.171 178.989 176.870 -0.086 0.000 1.133 145 L CA 1.374 56.132 54.840 -0.136 0.000 0.816 145 L CB -0.370 41.623 42.059 -0.111 0.000 0.933 145 L HN 0.246 nan 8.230 nan 0.000 0.449 146 D N 0.202 120.578 120.400 -0.039 0.000 2.149 146 D HA -0.226 4.417 4.640 0.005 0.000 0.198 146 D C 1.671 177.924 176.300 -0.078 0.000 0.990 146 D CA 1.116 55.086 54.000 -0.050 0.000 0.839 146 D CB -0.168 40.643 40.800 0.017 0.000 0.948 146 D HN 0.186 nan 8.370 nan 0.000 0.460 147 K N 1.297 121.599 120.400 -0.163 0.000 2.025 147 K HA 0.037 4.360 4.320 0.005 0.000 0.207 147 K C 2.432 179.032 176.600 0.001 0.000 1.049 147 K CA 1.300 57.519 56.287 -0.113 0.000 0.933 147 K CB -0.973 31.106 32.500 -0.701 0.000 0.714 147 K HN 0.281 nan 8.250 nan 0.000 0.438 148 A N 2.043 124.809 122.820 -0.090 0.000 1.883 148 A HA -0.203 4.120 4.320 0.005 0.000 0.217 148 A C 2.281 180.034 177.584 0.281 0.000 1.186 148 A CA 1.687 53.746 52.037 0.037 0.000 0.624 148 A CB -0.480 18.535 19.000 0.026 0.000 0.822 148 A HN 0.289 nan 8.150 nan 0.000 0.444 149 R N -1.384 119.212 120.500 0.160 0.000 2.096 149 R HA -0.116 4.227 4.340 0.005 0.000 0.235 149 R C 2.405 178.879 176.300 0.290 0.000 1.127 149 R CA 1.461 57.665 56.100 0.174 0.000 0.968 149 R CB -0.251 29.971 30.300 -0.130 0.000 0.861 149 R HN 0.437 nan 8.270 nan 0.000 0.440 150 R N 1.394 122.028 120.500 0.224 0.000 2.092 150 R HA -0.024 4.319 4.340 0.005 0.000 0.231 150 R C 1.969 178.557 176.300 0.480 0.000 1.119 150 R CA 1.161 57.438 56.100 0.294 0.000 0.970 150 R CB -0.572 29.796 30.300 0.112 0.000 0.864 150 R HN 0.178 nan 8.270 nan 0.000 0.440 151 L N -0.014 121.495 121.223 0.478 0.000 2.187 151 L HA -0.149 4.194 4.340 0.005 0.000 0.213 151 L C 1.778 178.853 176.870 0.341 0.000 1.100 151 L CA 1.025 56.099 54.840 0.390 0.000 0.765 151 L CB -0.271 41.896 42.059 0.179 0.000 0.904 151 L HN 0.214 nan 8.230 nan 0.000 0.437 152 L N -1.869 119.578 121.223 0.374 0.000 2.558 152 L HA -0.101 4.242 4.340 0.005 0.000 0.225 152 L C 2.180 179.209 176.870 0.264 0.000 1.128 152 L CA 0.101 55.094 54.840 0.254 0.000 0.868 152 L CB -0.381 41.837 42.059 0.265 0.000 1.006 152 L HN 0.472 nan 8.230 nan 0.000 0.454 153 W N 3.044 124.501 121.300 0.262 0.000 2.335 153 W HA -0.175 4.488 4.660 0.005 0.000 0.311 153 W C -0.974 175.588 176.519 0.072 0.000 1.213 153 W CA 1.265 58.731 57.345 0.202 0.000 1.274 153 W CB -1.064 28.550 29.460 0.256 0.000 1.148 153 W HN 0.107 nan 8.180 nan 0.000 0.498 154 P HA -0.188 nan 4.420 nan 0.000 0.216 154 P C 1.677 178.778 177.300 -0.331 0.000 1.150 154 P CA 2.082 64.943 63.100 -0.398 0.000 0.837 154 P CB -0.287 31.338 31.700 -0.125 0.000 0.786 155 I N -0.794 119.678 120.570 -0.164 0.000 2.202 155 I HA -0.246 3.927 4.170 0.005 0.000 0.242 155 I C 2.391 178.447 176.117 -0.102 0.000 1.091 155 I CA 1.352 62.617 61.300 -0.058 0.000 1.368 155 I CB -0.355 37.650 38.000 0.008 0.000 1.058 155 I HN -0.149 nan 8.210 nan 0.000 0.410 156 K N 1.124 121.362 120.400 -0.270 0.000 2.032 156 K HA -0.283 4.040 4.320 0.005 0.000 0.209 156 K C 2.151 178.556 176.600 -0.325 0.000 1.048 156 K CA 1.783 57.856 56.287 -0.358 0.000 0.927 156 K CB -0.353 31.749 32.500 -0.664 0.000 0.712 156 K HN 0.294 nan 8.250 nan 0.000 0.441 157 Q N 0.372 119.747 119.800 -0.708 0.000 2.096 157 Q HA -0.254 4.089 4.340 0.005 0.000 0.204 157 Q C 2.052 177.806 176.000 -0.411 0.000 0.982 157 Q CA 2.141 57.471 55.803 -0.789 0.000 0.850 157 Q CB -0.181 27.699 28.738 -1.430 0.000 0.901 157 Q HN 0.358 nan 8.270 nan 0.000 0.422 158 K N -0.828 119.330 120.400 -0.404 0.000 2.026 158 K HA -0.187 4.136 4.320 0.005 0.000 0.208 158 K C 1.452 177.765 176.600 -0.478 0.000 1.048 158 K CA 1.645 57.664 56.287 -0.447 0.000 0.929 158 K CB -0.142 32.018 32.500 -0.566 0.000 0.713 158 K HN 0.314 nan 8.250 nan 0.000 0.439 159 Y N -0.039 120.183 120.300 -0.130 0.000 2.510 159 Y HA 0.172 4.725 4.550 0.005 0.000 0.273 159 Y C 1.523 177.409 175.900 -0.024 0.000 1.119 159 Y CA 0.322 58.380 58.100 -0.070 0.000 1.286 159 Y CB 0.428 38.851 38.460 -0.063 0.000 1.061 159 Y HN 0.407 nan 8.280 nan 0.000 0.542 160 G N 1.592 110.429 108.800 0.062 0.000 2.574 160 G HA2 -0.427 3.536 3.960 0.005 0.000 0.286 160 G HA3 -0.427 3.536 3.960 0.005 0.000 0.286 160 G C 1.200 176.193 174.900 0.154 0.000 1.212 160 G CA 0.605 45.753 45.100 0.079 0.000 0.979 160 G HN 0.458 nan 8.290 nan 0.000 0.557 161 R N 0.978 121.585 120.500 0.179 0.000 2.237 161 R HA 0.346 4.689 4.340 0.005 0.000 0.219 161 R C 2.547 179.135 176.300 0.481 0.000 1.080 161 R CA 1.942 58.211 56.100 0.282 0.000 0.995 161 R CB -0.428 29.955 30.300 0.138 0.000 0.875 161 R HN 1.144 nan 8.270 nan 0.000 0.462 162 A N 1.391 124.422 122.820 0.352 0.000 2.121 162 A HA 0.099 4.422 4.320 0.005 0.000 0.218 162 A C 1.170 179.009 177.584 0.426 0.000 1.154 162 A CA 0.577 52.807 52.037 0.321 0.000 0.679 162 A CB -0.053 19.055 19.000 0.181 0.000 0.795 162 A HN 0.453 nan 8.150 nan 0.000 0.458 163 I N 0.554 121.380 120.570 0.426 0.000 2.512 163 I HA 0.282 4.455 4.170 0.005 0.000 0.287 163 I C -0.016 176.274 176.117 0.288 0.000 1.069 163 I CA -0.692 60.879 61.300 0.453 0.000 1.056 163 I CB 1.999 40.130 38.000 0.219 0.000 1.229 163 I HN 0.188 nan 8.210 nan 0.000 0.429 164 S N 4.461 120.297 115.700 0.226 0.000 2.585 164 S HA 0.150 4.623 4.470 0.005 0.000 0.273 164 S C 0.746 175.336 174.600 -0.017 0.000 1.339 164 S CA -0.328 57.827 58.200 -0.075 0.000 1.028 164 S CB 0.756 63.681 63.200 -0.459 0.000 0.906 164 S HN 0.818 nan 8.310 nan 0.000 0.528 165 W N 1.419 122.686 121.300 -0.055 0.000 2.318 165 W HA -0.189 4.473 4.660 0.005 0.000 0.313 165 W C 2.793 179.250 176.519 -0.104 0.000 1.221 165 W CA 1.569 58.871 57.345 -0.072 0.000 1.266 165 W CB -0.665 28.709 29.460 -0.143 0.000 1.150 165 W HN 0.938 nan 8.180 nan 0.000 0.496 166 A N 0.042 122.907 122.820 0.077 0.000 1.892 166 A HA -0.274 4.049 4.320 0.005 0.000 0.218 166 A C 1.675 179.258 177.584 -0.002 0.000 1.188 166 A CA 2.366 54.389 52.037 -0.022 0.000 0.631 166 A CB -0.948 17.979 19.000 -0.121 0.000 0.822 166 A HN 0.207 nan 8.150 nan 0.000 0.447 167 D N -0.816 119.597 120.400 0.021 0.000 2.123 167 D HA -0.079 4.564 4.640 0.005 0.000 0.200 167 D C 1.859 178.268 176.300 0.182 0.000 0.976 167 D CA 1.051 55.131 54.000 0.133 0.000 0.831 167 D CB -0.358 40.553 40.800 0.186 0.000 0.974 167 D HN 0.309 nan 8.370 nan 0.000 0.469 168 L N 0.798 122.082 121.223 0.102 0.000 2.046 168 L HA -0.119 4.224 4.340 0.005 0.000 0.208 168 L C 2.152 179.043 176.870 0.035 0.000 1.077 168 L CA 1.389 56.243 54.840 0.024 0.000 0.747 168 L CB -0.564 41.458 42.059 -0.061 0.000 0.896 168 L HN 0.029 nan 8.230 nan 0.000 0.432 169 L N -1.188 120.100 121.223 0.110 0.000 2.042 169 L HA -0.253 4.090 4.340 0.005 0.000 0.210 169 L C 2.482 179.402 176.870 0.084 0.000 1.076 169 L CA 0.974 55.876 54.840 0.104 0.000 0.749 169 L CB -0.738 41.379 42.059 0.097 0.000 0.893 169 L HN 0.284 nan 8.230 nan 0.000 0.432 170 I N -0.452 120.172 120.570 0.090 0.000 2.233 170 I HA -0.235 3.938 4.170 0.005 0.000 0.243 170 I C 2.486 178.683 176.117 0.134 0.000 1.093 170 I CA 1.230 62.614 61.300 0.139 0.000 1.380 170 I CB -1.067 37.008 38.000 0.126 0.000 1.067 170 I HN 0.216 nan 8.210 nan 0.000 0.413 171 L N 0.779 121.971 121.223 -0.053 0.000 2.079 171 L HA -0.201 4.142 4.340 0.005 0.000 0.210 171 L C 2.432 179.160 176.870 -0.235 0.000 1.081 171 L CA 1.989 56.557 54.840 -0.453 0.000 0.752 171 L CB -0.948 40.734 42.059 -0.629 0.000 0.896 171 L HN 0.201 nan 8.230 nan 0.000 0.433 172 T N -0.845 113.610 114.554 -0.164 0.000 2.777 172 T HA -0.092 4.261 4.350 0.005 0.000 0.266 172 T C 1.730 176.379 174.700 -0.085 0.000 1.040 172 T CA 1.158 63.122 62.100 -0.227 0.000 1.141 172 T CB -0.892 67.752 68.868 -0.374 0.000 0.868 172 T HN 0.575 nan 8.240 nan 0.000 0.444 173 G N 1.872 110.732 108.800 0.099 0.000 2.446 173 G HA2 -0.283 3.680 3.960 0.005 0.000 0.217 173 G HA3 -0.283 3.680 3.960 0.005 0.000 0.217 173 G C 1.634 176.616 174.900 0.136 0.000 1.168 173 G CA 0.963 46.216 45.100 0.256 0.000 0.771 173 G HN 0.395 nan 8.290 nan 0.000 0.551 174 N N 0.238 119.061 118.700 0.205 0.000 2.069 174 N HA -0.114 4.629 4.740 0.005 0.000 0.191 174 N C 2.253 177.729 175.510 -0.056 0.000 1.031 174 N CA 1.266 54.385 53.050 0.115 0.000 0.852 174 N CB -0.579 37.995 38.487 0.144 0.000 1.018 174 N HN 0.187 nan 8.380 nan 0.000 0.423 175 V N 0.832 120.665 119.914 -0.135 0.000 2.407 175 V HA -0.171 3.952 4.120 0.005 0.000 0.248 175 V C 2.226 178.182 176.094 -0.232 0.000 1.055 175 V CA 1.679 63.820 62.300 -0.266 0.000 1.049 175 V CB -0.993 30.606 31.823 -0.373 0.000 0.662 175 V HN 0.343 nan 8.190 nan 0.000 0.455 176 A N -0.049 122.704 122.820 -0.113 0.000 1.877 176 A HA -0.162 4.161 4.320 0.005 0.000 0.216 176 A C 2.220 179.709 177.584 -0.158 0.000 1.186 176 A CA 1.799 53.823 52.037 -0.023 0.000 0.620 176 A CB -0.559 18.492 19.000 0.085 0.000 0.822 176 A HN 0.477 nan 8.150 nan 0.000 0.443 177 L N -0.679 120.375 121.223 -0.282 0.000 2.013 177 L HA -0.270 4.073 4.340 0.005 0.000 0.212 177 L C 2.681 179.516 176.870 -0.058 0.000 1.073 177 L CA 2.020 56.664 54.840 -0.327 0.000 0.753 177 L CB -0.635 41.192 42.059 -0.386 0.000 0.890 177 L HN 0.487 nan 8.230 nan 0.000 0.432 178 E N -0.747 119.438 120.200 -0.024 0.000 2.031 178 E HA -0.244 4.109 4.350 0.005 0.000 0.193 178 E C 2.318 179.015 176.600 0.163 0.000 0.994 178 E CA 1.489 57.929 56.400 0.066 0.000 0.800 178 E CB -0.193 29.554 29.700 0.079 0.000 0.752 178 E HN 0.299 nan 8.360 nan 0.000 0.447 179 S N 0.265 116.055 115.700 0.150 0.000 2.387 179 S HA -0.169 4.303 4.470 0.005 0.000 0.230 179 S C 1.726 176.470 174.600 0.240 0.000 1.035 179 S CA 1.228 59.598 58.200 0.283 0.000 1.014 179 S CB -0.083 63.279 63.200 0.270 0.000 0.836 179 S HN 0.186 nan 8.310 nan 0.000 0.466 180 M N 0.133 119.818 119.600 0.141 0.000 2.505 180 M HA 0.244 4.727 4.480 0.005 0.000 0.230 180 M C 1.226 177.714 176.300 0.313 0.000 1.153 180 M CA 0.558 55.959 55.300 0.168 0.000 0.997 180 M CB 0.482 33.146 32.600 0.107 0.000 1.606 180 M HN 0.534 nan 8.290 nan 0.000 0.481 181 G N 1.355 110.306 108.800 0.251 0.000 2.134 181 G HA2 -0.264 3.699 3.960 0.005 0.000 0.209 181 G HA3 -0.264 3.699 3.960 0.005 0.000 0.209 181 G C -0.408 174.618 174.900 0.210 0.000 0.993 181 G CA -0.585 44.663 45.100 0.247 0.000 0.669 181 G HN 0.455 nan 8.290 nan 0.000 0.519 182 F N 1.339 121.264 119.950 -0.042 0.000 2.426 182 F HA 0.715 5.244 4.527 0.005 0.000 0.348 182 F C 0.302 175.947 175.800 -0.257 0.000 1.124 182 F CA -1.702 56.104 58.000 -0.324 0.000 1.008 182 F CB 1.438 40.185 39.000 -0.423 0.000 1.139 182 F HN -0.007 nan 8.300 nan 0.000 0.452 183 K N 4.879 124.810 120.400 -0.782 0.000 2.338 183 K HA 0.236 4.559 4.320 0.005 0.000 0.290 183 K C -0.147 176.077 176.600 -0.628 0.000 1.069 183 K CA -0.175 55.791 56.287 -0.534 0.000 0.941 183 K CB 0.192 32.439 32.500 -0.421 0.000 1.023 183 K HN 0.700 nan 8.250 nan 0.000 0.477 184 T N 1.318 115.737 114.554 -0.225 0.000 2.849 184 T HA 0.180 4.533 4.350 0.005 0.000 0.284 184 T C 0.816 175.532 174.700 0.028 0.000 1.004 184 T CA -0.600 61.498 62.100 -0.004 0.000 1.021 184 T CB 0.550 69.515 68.868 0.161 0.000 1.013 184 T HN 0.501 nan 8.240 nan 0.000 0.527 185 F N 1.078 121.011 119.950 -0.029 0.000 2.558 185 F HA 0.397 4.927 4.527 0.005 0.000 0.298 185 F C 1.253 176.922 175.800 -0.219 0.000 1.119 185 F CA 1.053 58.975 58.000 -0.129 0.000 1.451 185 F CB -0.366 38.572 39.000 -0.104 0.000 1.091 185 F HN 1.204 nan 8.300 nan 0.000 0.563 186 G N -0.799 108.002 108.800 0.001 0.000 2.369 186 G HA2 0.291 4.254 3.960 0.005 0.000 0.293 186 G HA3 0.291 4.254 3.960 0.005 0.000 0.293 186 G C -2.118 173.003 174.900 0.368 0.000 1.301 186 G CA -0.547 44.536 45.100 -0.028 0.000 0.913 186 G HN 0.176 nan 8.290 nan 0.000 0.540 187 F N 0.179 120.242 119.950 0.188 0.000 2.635 187 F HA 0.759 5.289 4.527 0.006 0.000 0.314 187 F C -0.562 175.398 175.800 0.267 0.000 1.119 187 F CA 0.025 58.229 58.000 0.341 0.000 1.000 187 F CB 1.655 40.806 39.000 0.252 0.000 1.278 187 F HN 1.385 nan 8.300 nan 0.000 0.446 188 A N 3.438 125.946 122.820 -0.520 0.000 2.342 188 A HA 0.823 5.146 4.320 0.005 0.000 0.323 188 A C -0.238 176.669 177.584 -1.129 0.000 1.125 188 A CA -0.159 51.520 52.037 -0.597 0.000 0.785 188 A CB 1.003 19.641 19.000 -0.603 0.000 1.221 188 A HN 1.259 nan 8.150 nan 0.000 0.463 189 G N -0.520 107.832 108.800 -0.746 0.000 2.535 189 G HA2 0.573 4.535 3.960 0.005 0.000 0.303 189 G HA3 0.573 4.535 3.960 0.005 0.000 0.303 189 G C 0.814 175.287 174.900 -0.711 0.000 1.237 189 G CA -0.182 44.313 45.100 -1.008 0.000 0.986 189 G HN 2.156 nan 8.290 nan 0.000 0.494 190 G N -1.473 106.995 108.800 -0.554 0.000 2.227 190 G HA2 -0.185 3.778 3.960 0.005 0.000 0.168 190 G HA3 -0.185 3.778 3.960 0.005 0.000 0.168 190 G C 0.437 175.348 174.900 0.019 0.000 1.006 190 G CA -0.346 44.667 45.100 -0.144 0.000 0.684 190 G HN 0.707 nan 8.290 nan 0.000 0.489 191 R N 1.353 121.800 120.500 -0.088 0.000 2.309 191 R HA 0.562 4.905 4.340 0.005 0.000 0.331 191 R C 0.880 177.039 176.300 -0.236 0.000 1.116 191 R CA 0.506 56.519 56.100 -0.146 0.000 0.970 191 R CB 0.747 30.931 30.300 -0.193 0.000 1.024 191 R HN 0.470 nan 8.270 nan 0.000 0.472 192 A N 3.353 126.067 122.820 -0.176 0.000 2.477 192 A HA 0.039 4.362 4.320 0.005 0.000 0.246 192 A C -0.035 177.382 177.584 -0.279 0.000 1.078 192 A CA -0.412 51.444 52.037 -0.302 0.000 0.770 192 A CB 0.255 19.259 19.000 0.006 0.000 1.011 192 A HN 0.558 nan 8.150 nan 0.000 0.494 193 D N 0.899 121.096 120.400 -0.338 0.000 2.368 193 D HA 0.381 5.024 4.640 0.005 0.000 0.240 193 D C 0.854 176.842 176.300 -0.521 0.000 1.169 193 D CA 1.002 54.755 54.000 -0.412 0.000 0.906 193 D CB 0.955 41.432 40.800 -0.538 0.000 1.187 193 D HN 0.708 nan 8.370 nan 0.000 0.435 194 T N -2.285 111.891 114.554 -0.630 0.000 2.926 194 T HA 0.542 4.895 4.350 0.005 0.000 0.289 194 T C 0.063 174.317 174.700 -0.743 0.000 1.054 194 T CA -0.819 60.966 62.100 -0.526 0.000 1.015 194 T CB 1.207 69.950 68.868 -0.208 0.000 1.167 194 T HN 0.555 nan 8.240 nan 0.000 0.526 195 W N 0.039 121.405 121.300 0.110 0.000 2.534 195 W HA 0.322 4.985 4.660 0.005 0.000 0.339 195 W C 0.564 176.823 176.519 -0.434 0.000 0.961 195 W CA -0.660 56.684 57.345 -0.002 0.000 1.545 195 W CB 0.729 30.233 29.460 0.072 0.000 1.104 195 W HN 0.955 nan 8.180 nan 0.000 0.538 196 E N -0.177 119.738 120.200 -0.475 0.000 2.433 196 E HA 0.426 4.778 4.350 0.005 0.000 0.278 196 E C -2.887 173.356 176.600 -0.594 0.000 0.976 196 E CA -2.644 53.362 56.400 -0.656 0.000 0.793 196 E CB 1.892 31.401 29.700 -0.317 0.000 1.311 196 E HN -0.377 nan 8.360 nan 0.000 0.460 197 P HA -0.018 nan 4.420 nan 0.000 0.265 197 P C -0.612 176.705 177.300 0.028 0.000 1.193 197 P CA 0.191 63.222 63.100 -0.114 0.000 0.765 197 P CB 0.498 32.182 31.700 -0.027 0.000 0.823 198 E N 2.561 122.838 120.200 0.127 0.000 2.383 198 E HA 0.011 4.364 4.350 0.005 0.000 0.264 198 E C -0.541 176.116 176.600 0.095 0.000 1.050 198 E CA -0.322 56.177 56.400 0.164 0.000 0.896 198 E CB 0.372 30.134 29.700 0.103 0.000 0.982 198 E HN 0.379 nan 8.360 nan 0.000 0.424 199 D N 3.700 124.133 120.400 0.055 0.000 2.411 199 D HA 0.198 4.841 4.640 0.005 0.000 0.225 199 D C -0.907 175.335 176.300 -0.097 0.000 1.156 199 D CA -0.074 53.923 54.000 -0.005 0.000 0.874 199 D CB 1.145 41.941 40.800 -0.008 0.000 1.034 199 D HN 0.061 nan 8.370 nan 0.000 0.502 200 V N 2.979 122.771 119.914 -0.203 0.000 2.638 200 V HA 0.116 4.239 4.120 0.005 0.000 0.306 200 V C -0.549 175.217 176.094 -0.546 0.000 1.052 200 V CA -1.120 60.861 62.300 -0.531 0.000 0.885 200 V CB 1.954 33.104 31.823 -1.121 0.000 0.999 200 V HN 0.371 nan 8.190 nan 0.000 0.424 201 Y N 3.091 123.097 120.300 -0.490 0.000 2.584 201 Y HA 0.233 4.785 4.550 0.005 0.000 0.351 201 Y C 0.270 175.972 175.900 -0.329 0.000 1.030 201 Y CA -0.473 57.442 58.100 -0.309 0.000 1.332 201 Y CB 0.572 38.916 38.460 -0.192 0.000 1.148 201 Y HN 0.780 nan 8.280 nan 0.000 0.528 202 W N 4.376 125.433 121.300 -0.405 0.000 3.220 202 W HA 0.460 5.123 4.660 0.005 0.000 0.328 202 W C 0.812 176.998 176.519 -0.555 0.000 1.205 202 W CA 0.441 57.608 57.345 -0.296 0.000 1.773 202 W CB 0.445 29.927 29.460 0.038 0.000 1.086 202 W HN 0.974 nan 8.180 nan 0.000 0.622 203 G N -0.518 107.679 108.800 -1.004 0.000 2.357 203 G HA2 -0.064 3.899 3.960 0.005 0.000 0.643 203 G HA3 -0.064 3.899 3.960 0.005 0.000 0.643 203 G C -0.041 174.619 174.900 -0.401 0.000 1.358 203 G CA -0.353 44.343 45.100 -0.675 0.000 0.986 203 G HN -0.219 nan 8.290 nan 0.000 0.620 204 S N -0.234 115.409 115.700 -0.096 0.000 2.559 204 S HA 0.242 4.715 4.470 0.005 0.000 0.226 204 S C 0.601 175.173 174.600 -0.047 0.000 1.000 204 S CA 0.257 58.471 58.200 0.024 0.000 0.948 204 S CB 0.281 63.558 63.200 0.128 0.000 0.870 204 S HN 0.597 nan 8.310 nan 0.000 0.497 205 E N 1.851 121.992 120.200 -0.099 0.000 2.398 205 E HA 0.142 4.495 4.350 0.005 0.000 0.263 205 E C 0.599 177.086 176.600 -0.188 0.000 1.046 205 E CA 0.143 56.471 56.400 -0.120 0.000 0.908 205 E CB 0.424 30.049 29.700 -0.125 0.000 0.963 205 E HN -0.139 nan 8.360 nan 0.000 0.431 206 K N 1.586 121.886 120.400 -0.166 0.000 2.373 206 K HA 0.314 4.637 4.320 0.005 0.000 0.202 206 K C -0.153 176.303 176.600 -0.239 0.000 1.025 206 K CA 0.066 56.234 56.287 -0.198 0.000 1.115 206 K CB 0.287 32.716 32.500 -0.119 0.000 0.858 206 K HN 0.442 nan 8.250 nan 0.000 0.525 207 I N 0.256 120.687 120.570 -0.231 0.000 2.498 207 I HA 0.263 4.436 4.170 0.005 0.000 0.290 207 I C -0.553 175.446 176.117 -0.197 0.000 1.032 207 I CA -1.101 60.093 61.300 -0.176 0.000 1.073 207 I CB 1.447 39.412 38.000 -0.058 0.000 1.251 207 I HN -0.054 nan 8.210 nan 0.000 0.426 208 W N 6.879 128.154 121.300 -0.041 0.000 2.295 208 W HA 0.170 4.832 4.660 0.005 0.000 0.335 208 W C 0.943 177.422 176.519 -0.065 0.000 1.351 208 W CA -0.056 57.248 57.345 -0.068 0.000 1.273 208 W CB 0.176 29.613 29.460 -0.039 0.000 1.214 208 W HN 0.464 nan 8.180 nan 0.000 0.563 209 L N 0.975 122.305 121.223 0.179 0.000 4.429 209 L HA -0.295 4.048 4.340 0.005 0.000 0.422 209 L C 0.781 177.682 176.870 0.052 0.000 1.149 209 L CA 0.270 55.160 54.840 0.083 0.000 0.972 209 L CB -1.731 40.381 42.059 0.088 0.000 2.059 209 L HN 0.563 nan 8.230 nan 0.000 0.870 210 E N 1.326 121.542 120.200 0.027 0.000 2.529 210 E HA 0.183 4.536 4.350 0.005 0.000 0.259 210 E C 0.321 176.943 176.600 0.038 0.000 0.966 210 E CA -0.152 56.261 56.400 0.021 0.000 0.937 210 E CB 0.544 30.239 29.700 -0.008 0.000 0.923 210 E HN 0.251 nan 8.360 nan 0.000 0.468 211 L N 2.981 124.229 121.223 0.041 0.000 2.453 211 L HA 0.109 4.452 4.340 0.005 0.000 0.261 211 L C 0.939 177.844 176.870 0.059 0.000 1.179 211 L CA -0.586 54.283 54.840 0.049 0.000 0.813 211 L CB 0.748 42.830 42.059 0.037 0.000 1.110 211 L HN 0.619 nan 8.230 nan 0.000 0.466 212 S N -0.016 115.725 115.700 0.067 0.000 2.580 212 S HA 0.339 4.812 4.470 0.005 0.000 0.266 212 S C 1.029 175.669 174.600 0.067 0.000 1.354 212 S CA -0.054 58.207 58.200 0.102 0.000 1.008 212 S CB 1.089 64.324 63.200 0.060 0.000 0.898 212 S HN 1.116 nan 8.310 nan 0.000 0.555 213 G N 0.422 109.273 108.800 0.086 0.000 2.176 213 G HA2 -0.083 3.880 3.960 0.005 0.000 0.253 213 G HA3 -0.083 3.880 3.960 0.005 0.000 0.253 213 G C 0.553 175.480 174.900 0.046 0.000 0.979 213 G CA 0.152 45.288 45.100 0.060 0.000 0.641 213 G HN 1.368 nan 8.290 nan 0.000 0.530 214 G N 0.278 109.104 108.800 0.044 0.000 2.588 214 G HA2 0.574 4.537 3.960 0.005 0.000 0.278 214 G HA3 0.574 4.537 3.960 0.005 0.000 0.278 214 G C -0.131 174.785 174.900 0.027 0.000 1.307 214 G CA 0.049 45.166 45.100 0.028 0.000 1.016 214 G HN 0.145 nan 8.290 nan 0.000 0.503 215 P HA -0.044 nan 4.420 nan 0.000 0.225 215 P C 0.390 177.701 177.300 0.018 0.000 1.148 215 P CA 0.896 64.005 63.100 0.015 0.000 0.779 215 P CB 0.325 32.029 31.700 0.006 0.000 0.780 216 N N -0.561 118.149 118.700 0.017 0.000 2.480 216 N HA 0.046 4.789 4.740 0.005 0.000 0.281 216 N C -0.214 175.315 175.510 0.031 0.000 1.381 216 N CA -0.051 53.012 53.050 0.021 0.000 0.903 216 N CB 0.479 38.968 38.487 0.004 0.000 1.274 216 N HN -0.033 nan 8.380 nan 0.000 0.505 217 S N 1.196 116.923 115.700 0.045 0.000 2.546 217 S HA -0.022 4.451 4.470 0.005 0.000 0.290 217 S C 1.570 176.203 174.600 0.055 0.000 1.290 217 S CA -0.224 58.018 58.200 0.070 0.000 1.069 217 S CB 0.588 63.846 63.200 0.096 0.000 0.846 217 S HN 0.452 nan 8.310 nan 0.000 0.495 218 R N 3.460 123.980 120.500 0.033 0.000 2.299 218 R HA 0.104 4.447 4.340 0.005 0.000 0.197 218 R C -0.462 175.708 176.300 -0.216 0.000 0.971 218 R CA 0.415 56.464 56.100 -0.085 0.000 1.030 218 R CB -0.148 30.055 30.300 -0.162 0.000 0.932 218 R HN 0.583 nan 8.270 nan 0.000 0.477 219 Y N 0.971 121.295 120.300 0.041 0.000 2.409 219 Y HA 0.386 4.939 4.550 0.005 0.000 0.339 219 Y C 0.194 176.116 175.900 0.037 0.000 1.033 219 Y CA -0.490 57.634 58.100 0.041 0.000 1.094 219 Y CB 2.189 40.673 38.460 0.039 0.000 1.210 219 Y HN 0.124 nan 8.280 nan 0.000 0.456 220 S N 0.561 116.384 115.700 0.205 0.000 2.618 220 S HA 0.850 5.323 4.470 0.005 0.000 0.277 220 S C 0.040 174.715 174.600 0.126 0.000 1.138 220 S CA -0.410 57.868 58.200 0.131 0.000 0.844 220 S CB 1.495 64.745 63.200 0.082 0.000 1.127 220 S HN 1.448 nan 8.310 nan 0.000 0.474 221 G N 1.631 110.483 108.800 0.086 0.000 2.596 221 G HA2 -0.271 3.692 3.960 0.005 0.000 0.295 221 G HA3 -0.271 3.692 3.960 0.005 0.000 0.295 221 G C -0.237 174.706 174.900 0.070 0.000 1.240 221 G CA 0.647 45.789 45.100 0.069 0.000 0.985 221 G HN 1.229 nan 8.290 nan 0.000 0.555 222 D N 0.918 121.357 120.400 0.066 0.000 2.688 222 D HA 0.407 5.050 4.640 0.005 0.000 0.228 222 D C 1.184 177.532 176.300 0.080 0.000 1.116 222 D CA 0.313 54.347 54.000 0.056 0.000 1.023 222 D CB -0.589 40.238 40.800 0.045 0.000 1.100 222 D HN 0.828 nan 8.370 nan 0.000 0.487 223 R N 1.159 121.715 120.500 0.093 0.000 3.336 223 R HA -0.184 4.159 4.340 0.005 0.000 0.260 223 R C -0.912 175.590 176.300 0.336 0.000 1.032 223 R CA 0.440 56.619 56.100 0.131 0.000 0.693 223 R CB -1.509 28.790 30.300 -0.002 0.000 1.134 223 R HN 0.326 nan 8.270 nan 0.000 0.433 224 Q N 0.815 120.799 119.800 0.307 0.000 2.337 224 Q HA 0.204 4.547 4.340 0.005 0.000 0.255 224 Q C -0.159 175.918 176.000 0.128 0.000 0.997 224 Q CA -0.671 55.255 55.803 0.205 0.000 0.925 224 Q CB 1.256 30.063 28.738 0.115 0.000 1.212 224 Q HN 0.257 nan 8.270 nan 0.000 0.436 225 L N 3.614 124.829 121.223 -0.013 0.000 2.360 225 L HA 0.088 4.431 4.340 0.005 0.000 0.276 225 L C 0.500 177.267 176.870 -0.171 0.000 1.121 225 L CA 0.055 54.672 54.840 -0.371 0.000 0.845 225 L CB 0.527 42.422 42.059 -0.273 0.000 1.143 225 L HN 0.540 nan 8.230 nan 0.000 0.452 226 E N 3.499 123.595 120.200 -0.175 0.000 2.376 226 E HA 0.039 4.392 4.350 0.005 0.000 0.266 226 E C -0.621 175.958 176.600 -0.034 0.000 1.009 226 E CA -0.184 56.180 56.400 -0.060 0.000 0.902 226 E CB 0.141 29.830 29.700 -0.018 0.000 0.972 226 E HN 0.695 nan 8.360 nan 0.000 0.439 227 N N 3.710 122.395 118.700 -0.026 0.000 2.492 227 N HA 0.048 4.791 4.740 0.005 0.000 0.260 227 N C -1.751 173.748 175.510 -0.019 0.000 1.215 227 N CA -1.107 51.925 53.050 -0.031 0.000 0.923 227 N CB 0.707 39.161 38.487 -0.055 0.000 1.092 227 N HN 0.556 nan 8.380 nan 0.000 0.448 228 P HA 0.136 nan 4.420 nan 0.000 0.254 228 P C -0.709 176.589 177.300 -0.003 0.000 1.620 228 P CA 0.097 63.181 63.100 -0.028 0.000 1.050 228 P CB 0.248 31.911 31.700 -0.061 0.000 1.539 229 L N 0.245 121.483 121.223 0.025 0.000 2.417 229 L HA 0.506 4.849 4.340 0.005 0.000 0.268 229 L C 1.116 178.004 176.870 0.030 0.000 1.158 229 L CA -0.474 54.384 54.840 0.029 0.000 0.819 229 L CB 0.761 42.819 42.059 -0.002 0.000 1.112 229 L HN -0.063 nan 8.230 nan 0.000 0.458 230 A N 1.933 124.801 122.820 0.080 0.000 2.594 230 A HA 0.727 5.050 4.320 0.005 0.000 0.292 230 A C 0.030 177.725 177.584 0.185 0.000 1.026 230 A CA 0.149 52.261 52.037 0.125 0.000 0.983 230 A CB 0.374 19.452 19.000 0.130 0.000 1.233 230 A HN 0.709 nan 8.150 nan 0.000 0.519 231 A N -0.757 122.136 122.820 0.123 0.000 2.539 231 A HA 0.621 4.944 4.320 0.005 0.000 0.296 231 A C 0.697 178.340 177.584 0.098 0.000 1.073 231 A CA 0.219 52.325 52.037 0.115 0.000 0.700 231 A CB 0.721 19.720 19.000 -0.000 0.000 1.296 231 A HN 1.167 nan 8.150 nan 0.000 0.405 232 V N -2.031 117.981 119.914 0.164 0.000 3.235 232 V HA 0.276 4.399 4.120 0.005 0.000 0.259 232 V C 0.317 176.544 176.094 0.222 0.000 1.133 232 V CA 1.146 63.619 62.300 0.289 0.000 1.128 232 V CB -0.888 31.117 31.823 0.304 0.000 0.757 232 V HN 0.704 nan 8.190 nan 0.000 0.469 233 Q N 0.062 119.905 119.800 0.072 0.000 2.377 233 Q HA 0.530 4.873 4.340 0.005 0.000 0.279 233 Q C -1.139 174.791 176.000 -0.116 0.000 1.049 233 Q CA -0.930 54.880 55.803 0.012 0.000 0.825 233 Q CB 2.411 31.166 28.738 0.028 0.000 1.401 233 Q HN 0.312 nan 8.270 nan 0.000 0.404 234 M N 1.508 121.028 119.600 -0.134 0.000 2.356 234 M HA 0.271 4.753 4.480 0.005 0.000 0.348 234 M C 0.803 176.942 176.300 -0.267 0.000 1.595 234 M CA 1.828 56.982 55.300 -0.244 0.000 1.095 234 M CB -0.644 31.822 32.600 -0.223 0.000 1.963 234 M HN 0.869 nan 8.290 nan 0.000 0.459 235 G N 3.872 112.179 108.800 -0.822 0.000 2.176 235 G HA2 -0.165 3.798 3.960 0.005 0.000 0.232 235 G HA3 -0.165 3.798 3.960 0.005 0.000 0.232 235 G C -0.232 174.204 174.900 -0.774 0.000 0.986 235 G CA 0.036 44.459 45.100 -1.129 0.000 0.643 235 G HN 0.687 nan 8.290 nan 0.000 0.522 236 L N 1.216 122.082 121.223 -0.595 0.000 2.343 236 L HA 0.461 4.804 4.340 0.005 0.000 0.275 236 L C 1.884 178.564 176.870 -0.317 0.000 1.056 236 L CA -1.423 53.237 54.840 -0.300 0.000 0.804 236 L CB 0.847 42.840 42.059 -0.109 0.000 1.203 236 L HN -0.141 nan 8.230 nan 0.000 0.440 237 I N 0.863 121.276 120.570 -0.261 0.000 2.133 237 I HA -0.218 3.955 4.170 0.005 0.000 0.238 237 I C 1.315 177.111 176.117 -0.534 0.000 1.074 237 I CA 2.245 63.244 61.300 -0.502 0.000 1.342 237 I CB -0.595 36.849 38.000 -0.928 0.000 1.053 237 I HN 0.656 nan 8.210 nan 0.000 0.404 238 Y N -0.624 119.718 120.300 0.070 0.000 3.224 238 Y HA 0.267 4.820 4.550 0.005 0.000 0.184 238 Y C 0.658 176.668 175.900 0.184 0.000 0.891 238 Y CA -0.349 57.844 58.100 0.154 0.000 1.736 238 Y CB 0.023 38.647 38.460 0.273 0.000 1.411 238 Y HN -0.124 nan 8.280 nan 0.000 0.402 239 V N -1.062 119.108 119.914 0.428 0.000 3.113 239 V HA 0.515 4.638 4.120 0.005 0.000 0.316 239 V C -0.782 175.460 176.094 0.245 0.000 1.125 239 V CA -1.183 61.304 62.300 0.312 0.000 1.026 239 V CB 1.752 33.768 31.823 0.321 0.000 1.080 239 V HN 0.324 nan 8.190 nan 0.000 0.444 240 N N 2.800 121.617 118.700 0.195 0.000 2.430 240 N HA 0.356 5.099 4.740 0.005 0.000 0.265 240 N C -1.498 174.126 175.510 0.190 0.000 1.100 240 N CA -1.844 51.306 53.050 0.166 0.000 0.961 240 N CB 1.596 40.162 38.487 0.131 0.000 1.075 240 N HN 0.616 nan 8.380 nan 0.000 0.478 241 P HA -0.076 nan 4.420 nan 0.000 0.225 241 P C 0.297 177.723 177.300 0.210 0.000 1.148 241 P CA 1.175 64.409 63.100 0.224 0.000 0.779 241 P CB 0.526 32.364 31.700 0.229 0.000 0.780 242 E N -0.407 119.908 120.200 0.191 0.000 2.230 242 E HA 0.251 4.604 4.350 0.005 0.000 0.192 242 E C 1.022 177.740 176.600 0.197 0.000 0.987 242 E CA 0.463 56.992 56.400 0.216 0.000 0.841 242 E CB 0.044 29.877 29.700 0.221 0.000 0.783 242 E HN 0.253 nan 8.360 nan 0.000 0.481 243 G N 1.054 109.950 108.800 0.161 0.000 2.347 243 G HA2 -0.070 3.893 3.960 0.005 0.000 0.477 243 G HA3 -0.070 3.893 3.960 0.005 0.000 0.477 243 G C -3.103 171.855 174.900 0.097 0.000 1.349 243 G CA -1.331 43.844 45.100 0.125 0.000 1.000 243 G HN -0.228 nan 8.290 nan 0.000 0.605 244 P HA 0.277 nan 4.420 nan 0.000 0.262 244 P C -0.221 177.091 177.300 0.019 0.000 1.199 244 P CA 0.685 63.802 63.100 0.029 0.000 0.763 244 P CB 0.333 32.027 31.700 -0.010 0.000 0.790 245 D N 3.315 123.728 120.400 0.022 0.000 2.811 245 D HA -0.205 4.438 4.640 0.005 0.000 0.231 245 D C 1.140 177.473 176.300 0.054 0.000 1.157 245 D CA 1.974 55.991 54.000 0.028 0.000 0.716 245 D CB -1.537 39.260 40.800 -0.004 0.000 1.077 245 D HN 0.810 nan 8.370 nan 0.000 0.428 246 G N -0.468 108.381 108.800 0.082 0.000 2.143 246 G HA2 -0.317 3.646 3.960 0.005 0.000 0.249 246 G HA3 -0.317 3.646 3.960 0.005 0.000 0.249 246 G C 0.024 175.005 174.900 0.135 0.000 0.981 246 G CA 0.125 45.301 45.100 0.127 0.000 0.665 246 G HN 0.412 nan 8.290 nan 0.000 0.528 247 N N 1.521 120.258 118.700 0.063 0.000 2.439 247 N HA 0.391 5.134 4.740 0.005 0.000 0.249 247 N C -2.525 172.979 175.510 -0.010 0.000 1.003 247 N CA -1.286 51.764 53.050 -0.000 0.000 0.942 247 N CB 1.975 40.461 38.487 -0.001 0.000 1.115 247 N HN 0.128 nan 8.380 nan 0.000 0.505 248 P HA 0.067 nan 4.420 nan 0.000 0.226 248 P C -0.725 176.665 177.300 0.150 0.000 1.783 248 P CA -0.079 63.032 63.100 0.019 0.000 0.980 248 P CB -0.185 31.385 31.700 -0.217 0.000 1.967 249 D N 2.174 122.629 120.400 0.091 0.000 2.454 249 D HA 0.199 4.842 4.640 0.005 0.000 0.225 249 D C -1.644 174.684 176.300 0.048 0.000 1.081 249 D CA -2.557 51.481 54.000 0.064 0.000 0.864 249 D CB 1.440 42.255 40.800 0.025 0.000 1.040 249 D HN -0.015 nan 8.370 nan 0.000 0.517 250 P HA -0.120 nan 4.420 nan 0.000 0.219 250 P C 1.488 178.814 177.300 0.042 0.000 1.146 250 P CA 0.429 63.526 63.100 -0.006 0.000 0.808 250 P CB 0.511 32.156 31.700 -0.092 0.000 0.779 251 V N 0.177 120.108 119.914 0.029 0.000 2.346 251 V HA -0.144 3.979 4.120 0.005 0.000 0.244 251 V C 2.531 178.642 176.094 0.028 0.000 1.037 251 V CA 2.029 64.353 62.300 0.039 0.000 1.029 251 V CB -1.649 30.189 31.823 0.025 0.000 0.663 251 V HN 0.085 nan 8.190 nan 0.000 0.454 252 A N 0.115 122.949 122.820 0.023 0.000 1.933 252 A HA -0.084 4.239 4.320 0.005 0.000 0.218 252 A C 2.380 179.989 177.584 0.043 0.000 1.175 252 A CA 1.945 53.995 52.037 0.022 0.000 0.628 252 A CB -0.672 18.335 19.000 0.012 0.000 0.814 252 A HN 0.553 nan 8.150 nan 0.000 0.444 253 A N -0.173 122.683 122.820 0.060 0.000 1.969 253 A HA 0.206 4.529 4.320 0.005 0.000 0.218 253 A C 2.440 180.090 177.584 0.109 0.000 1.169 253 A CA 1.804 53.894 52.037 0.088 0.000 0.635 253 A CB -0.857 18.201 19.000 0.097 0.000 0.810 253 A HN 1.017 nan 8.150 nan 0.000 0.445 254 A N -0.089 122.794 122.820 0.105 0.000 1.972 254 A HA -0.156 4.167 4.320 0.005 0.000 0.219 254 A C 2.225 179.861 177.584 0.086 0.000 1.169 254 A CA 1.420 53.544 52.037 0.145 0.000 0.635 254 A CB -0.437 18.624 19.000 0.101 0.000 0.810 254 A HN 0.557 nan 8.150 nan 0.000 0.446 255 R N -0.376 120.152 120.500 0.046 0.000 2.081 255 R HA -0.121 4.222 4.340 0.005 0.000 0.235 255 R C 1.538 177.899 176.300 0.100 0.000 1.131 255 R CA 1.500 57.626 56.100 0.042 0.000 0.960 255 R CB -0.414 29.902 30.300 0.027 0.000 0.856 255 R HN 0.451 nan 8.270 nan 0.000 0.436 256 D N 0.669 121.144 120.400 0.124 0.000 2.117 256 D HA -0.112 4.531 4.640 0.005 0.000 0.197 256 D C 1.901 178.338 176.300 0.228 0.000 0.987 256 D CA 1.050 55.159 54.000 0.181 0.000 0.829 256 D CB -0.171 40.736 40.800 0.178 0.000 0.961 256 D HN 0.182 nan 8.370 nan 0.000 0.460 257 I N 0.453 121.152 120.570 0.215 0.000 2.163 257 I HA -0.263 3.910 4.170 0.005 0.000 0.243 257 I C 2.573 178.834 176.117 0.240 0.000 1.085 257 I CA 0.995 62.428 61.300 0.221 0.000 1.347 257 I CB -0.194 37.858 38.000 0.086 0.000 1.044 257 I HN -0.063 nan 8.210 nan 0.000 0.408 258 R N 0.913 121.544 120.500 0.218 0.000 2.073 258 R HA -0.246 4.097 4.340 0.005 0.000 0.234 258 R C 2.089 178.501 176.300 0.188 0.000 1.134 258 R CA 2.295 58.512 56.100 0.195 0.000 0.952 258 R CB -0.290 30.050 30.300 0.067 0.000 0.850 258 R HN 0.291 nan 8.270 nan 0.000 0.433 259 D N -0.583 119.922 120.400 0.174 0.000 2.084 259 D HA -0.140 4.503 4.640 0.005 0.000 0.194 259 D C 1.841 178.255 176.300 0.191 0.000 0.990 259 D CA 2.299 56.398 54.000 0.166 0.000 0.826 259 D CB -0.236 40.667 40.800 0.171 0.000 0.971 259 D HN 0.421 nan 8.370 nan 0.000 0.453 260 T N -2.056 112.644 114.554 0.243 0.000 2.777 260 T HA -0.133 4.220 4.350 0.005 0.000 0.266 260 T C 2.127 176.917 174.700 0.151 0.000 1.040 260 T CA 0.862 63.108 62.100 0.243 0.000 1.141 260 T CB -0.976 68.100 68.868 0.347 0.000 0.868 260 T HN 0.058 nan 8.240 nan 0.000 0.444 261 F N 2.385 122.298 119.950 -0.061 0.000 2.186 261 F HA 0.236 4.766 4.527 0.004 0.000 0.299 261 F C 2.957 178.751 175.800 -0.009 0.000 1.090 261 F CA 0.513 58.416 58.000 -0.161 0.000 1.307 261 F CB -0.957 37.930 39.000 -0.188 0.000 1.019 261 F HN 0.266 nan 8.300 nan 0.000 0.489 262 A N 0.065 123.007 122.820 0.203 0.000 1.940 262 A HA -0.217 4.106 4.320 0.005 0.000 0.219 262 A C 2.215 179.866 177.584 0.112 0.000 1.176 262 A CA 1.633 53.757 52.037 0.146 0.000 0.631 262 A CB -0.665 18.412 19.000 0.127 0.000 0.814 262 A HN 0.342 nan 8.150 nan 0.000 0.446 263 R N -1.025 119.537 120.500 0.103 0.000 2.316 263 R HA 0.150 4.493 4.340 0.005 0.000 0.202 263 R C 0.883 177.220 176.300 0.061 0.000 1.029 263 R CA 0.762 56.904 56.100 0.070 0.000 1.018 263 R CB -0.110 30.235 30.300 0.075 0.000 0.888 263 R HN 0.528 nan 8.270 nan 0.000 0.471 264 M N -0.617 119.044 119.600 0.102 0.000 2.484 264 M HA 0.290 4.773 4.480 0.005 0.000 0.307 264 M C 0.283 176.716 176.300 0.222 0.000 1.149 264 M CA -0.115 55.301 55.300 0.193 0.000 0.972 264 M CB 1.201 33.924 32.600 0.204 0.000 1.400 264 M HN 0.126 nan 8.290 nan 0.000 0.508 265 A N 0.471 123.390 122.820 0.165 0.000 2.945 265 A HA -0.143 4.180 4.320 0.005 0.000 0.251 265 A C 0.026 177.666 177.584 0.093 0.000 1.355 265 A CA 0.828 52.950 52.037 0.141 0.000 0.905 265 A CB -1.486 17.619 19.000 0.176 0.000 1.104 265 A HN 0.477 nan 8.150 nan 0.000 0.733 266 M N 0.909 120.580 119.600 0.120 0.000 2.294 266 M HA 0.401 4.884 4.480 0.005 0.000 0.335 266 M C 0.441 176.839 176.300 0.162 0.000 1.079 266 M CA -0.817 54.568 55.300 0.141 0.000 0.982 266 M CB 1.252 33.991 32.600 0.232 0.000 1.651 266 M HN 0.688 nan 8.290 nan 0.000 0.437 267 N N 1.328 120.111 118.700 0.138 0.000 2.418 267 N HA 0.185 4.928 4.740 0.005 0.000 0.283 267 N C 0.165 175.761 175.510 0.145 0.000 1.267 267 N CA -0.211 52.920 53.050 0.135 0.000 0.975 267 N CB 0.417 38.975 38.487 0.119 0.000 1.167 267 N HN 0.370 nan 8.380 nan 0.000 0.581 268 D N -0.560 119.933 120.400 0.155 0.000 2.104 268 D HA -0.187 4.456 4.640 0.005 0.000 0.194 268 D C 1.359 177.745 176.300 0.143 0.000 0.994 268 D CA 1.425 55.558 54.000 0.222 0.000 0.830 268 D CB -0.190 40.734 40.800 0.207 0.000 0.959 268 D HN 0.803 nan 8.370 nan 0.000 0.452 269 E N 0.395 120.671 120.200 0.128 0.000 2.072 269 E HA -0.178 4.175 4.350 0.005 0.000 0.191 269 E C 1.780 178.526 176.600 0.243 0.000 0.985 269 E CA 0.888 57.385 56.400 0.163 0.000 0.801 269 E CB 0.129 29.939 29.700 0.183 0.000 0.750 269 E HN 0.312 nan 8.360 nan 0.000 0.452 270 E N -0.408 119.902 120.200 0.183 0.000 2.077 270 E HA -0.151 4.202 4.350 0.005 0.000 0.193 270 E C 2.108 178.774 176.600 0.109 0.000 0.989 270 E CA 1.652 58.154 56.400 0.171 0.000 0.800 270 E CB -0.023 29.758 29.700 0.136 0.000 0.746 270 E HN 0.232 nan 8.360 nan 0.000 0.452 271 T N 0.812 115.370 114.554 0.006 0.000 2.674 271 T HA -0.138 4.215 4.350 0.005 0.000 0.265 271 T C 2.134 176.594 174.700 -0.400 0.000 1.039 271 T CA 1.225 63.143 62.100 -0.303 0.000 1.150 271 T CB -0.302 68.305 68.868 -0.435 0.000 0.864 271 T HN -0.030 nan 8.240 nan 0.000 0.427 272 V N 1.834 121.578 119.914 -0.284 0.000 2.287 272 V HA -0.203 3.920 4.120 0.005 0.000 0.248 272 V C 2.909 179.039 176.094 0.060 0.000 1.053 272 V CA 1.805 63.987 62.300 -0.197 0.000 1.027 272 V CB -1.261 30.532 31.823 -0.049 0.000 0.646 272 V HN 0.549 nan 8.190 nan 0.000 0.447 273 A N -0.515 122.496 122.820 0.319 0.000 1.933 273 A HA -0.156 4.167 4.320 0.005 0.000 0.218 273 A C 2.232 179.840 177.584 0.040 0.000 1.175 273 A CA 1.810 54.056 52.037 0.349 0.000 0.628 273 A CB -0.500 18.720 19.000 0.367 0.000 0.814 273 A HN 0.506 nan 8.150 nan 0.000 0.444 274 L N -0.860 120.365 121.223 0.003 0.000 2.027 274 L HA -0.142 4.201 4.340 0.005 0.000 0.206 274 L C 2.484 179.076 176.870 -0.464 0.000 1.074 274 L CA 1.247 56.041 54.840 -0.077 0.000 0.745 274 L CB -0.423 41.655 42.059 0.032 0.000 0.898 274 L HN 0.373 nan 8.230 nan 0.000 0.433 275 I N -0.371 119.850 120.570 -0.581 0.000 2.233 275 I HA -0.231 3.942 4.170 0.005 0.000 0.243 275 I C 2.763 178.193 176.117 -1.145 0.000 1.093 275 I CA 1.137 61.922 61.300 -0.858 0.000 1.380 275 I CB -0.440 37.108 38.000 -0.754 0.000 1.067 275 I HN 0.159 nan 8.210 nan 0.000 0.413 276 A N 0.870 123.040 122.820 -1.083 0.000 1.933 276 A HA -0.095 4.228 4.320 0.005 0.000 0.218 276 A C 2.416 179.308 177.584 -1.154 0.000 1.175 276 A CA 1.836 52.873 52.037 -1.666 0.000 0.628 276 A CB -1.414 16.751 19.000 -1.392 0.000 0.814 276 A HN 0.459 nan 8.150 nan 0.000 0.444 277 G N -0.488 107.756 108.800 -0.927 0.000 2.433 277 G HA2 0.035 3.998 3.960 0.005 0.000 0.216 277 G HA3 0.035 3.998 3.960 0.005 0.000 0.216 277 G C 1.569 175.862 174.900 -1.011 0.000 1.186 277 G CA 1.248 45.423 45.100 -1.542 0.000 0.779 277 G HN 0.692 nan 8.290 nan 0.000 0.543 278 G N -0.157 108.154 108.800 -0.815 0.000 2.446 278 G HA2 -0.205 3.758 3.960 0.005 0.000 0.217 278 G HA3 -0.205 3.758 3.960 0.005 0.000 0.217 278 G C 1.456 176.177 174.900 -0.298 0.000 1.168 278 G CA 0.924 45.813 45.100 -0.350 0.000 0.771 278 G HN 0.659 nan 8.290 nan 0.000 0.551 279 H N -0.262 118.251 119.070 -0.928 0.000 2.533 279 H HA 0.123 4.682 4.556 0.005 0.000 0.271 279 H C 2.053 176.843 175.328 -0.898 0.000 1.000 279 H CA 0.149 55.331 56.048 -1.445 0.000 1.149 279 H CB 0.405 28.909 29.762 -2.096 0.000 1.375 279 H HN 0.242 nan 8.280 nan 0.000 0.582 280 T N 0.511 114.686 114.554 -0.632 0.000 3.007 280 T HA -0.071 4.282 4.350 0.005 0.000 0.270 280 T C 0.017 174.346 174.700 -0.618 0.000 1.107 280 T CA 0.994 62.715 62.100 -0.632 0.000 1.118 280 T CB -0.071 68.268 68.868 -0.882 0.000 0.889 280 T HN 0.096 nan 8.240 nan 0.000 0.506 281 F N -0.212 119.703 119.950 -0.059 0.000 2.546 281 F HA 0.587 5.117 4.527 0.005 0.000 0.320 281 F C 1.161 177.085 175.800 0.207 0.000 1.076 281 F CA -0.669 57.355 58.000 0.041 0.000 0.928 281 F CB 1.413 40.425 39.000 0.020 0.000 1.189 281 F HN 0.190 nan 8.300 nan 0.000 0.465 282 G N 2.320 111.344 108.800 0.373 0.000 2.569 282 G HA2 -0.094 3.869 3.960 0.005 0.000 0.259 282 G HA3 -0.094 3.869 3.960 0.005 0.000 0.259 282 G C -0.953 174.206 174.900 0.432 0.000 1.263 282 G CA 0.152 45.499 45.100 0.412 0.000 0.928 282 G HN 1.089 nan 8.290 nan 0.000 0.572 283 K N -2.010 118.592 120.400 0.336 0.000 2.571 283 K HA 0.719 5.042 4.320 0.005 0.000 0.289 283 K C -0.160 176.288 176.600 -0.253 0.000 1.028 283 K CA -0.153 56.069 56.287 -0.109 0.000 0.895 283 K CB 1.170 33.609 32.500 -0.102 0.000 1.534 283 K HN 1.414 nan 8.250 nan 0.000 0.421 284 T N -1.492 112.747 114.554 -0.525 0.000 2.897 284 T HA 0.492 4.845 4.350 0.005 0.000 0.278 284 T C -0.788 173.473 174.700 -0.733 0.000 0.981 284 T CA -0.444 61.414 62.100 -0.403 0.000 0.973 284 T CB 0.685 69.395 68.868 -0.263 0.000 1.092 284 T HN 0.657 nan 8.240 nan 0.000 0.543 285 H N -1.120 117.933 119.070 -0.029 0.000 3.013 285 H HA 0.611 5.170 4.556 0.005 0.000 0.326 285 H C 0.245 175.549 175.328 -0.041 0.000 0.973 285 H CA -0.634 55.402 56.048 -0.020 0.000 1.369 285 H CB 1.596 31.386 29.762 0.047 0.000 1.598 285 H HN 1.069 nan 8.280 nan 0.000 0.518 286 G N 1.299 110.091 108.800 -0.014 0.000 4.677 286 G HA2 0.405 4.368 3.960 0.005 0.000 0.225 286 G HA3 0.405 4.368 3.960 0.005 0.000 0.225 286 G C 0.672 175.503 174.900 -0.115 0.000 0.876 286 G CA 0.106 45.169 45.100 -0.062 0.000 0.652 286 G HN 0.718 nan 8.290 nan 0.000 0.481 287 A N -0.303 122.455 122.820 -0.103 0.000 2.067 287 A HA 0.649 4.972 4.320 0.005 0.000 0.217 287 A C 1.383 178.722 177.584 -0.408 0.000 1.156 287 A CA 1.371 53.339 52.037 -0.115 0.000 0.683 287 A CB 0.171 19.220 19.000 0.081 0.000 0.808 287 A HN 1.365 nan 8.150 nan 0.000 0.455 288 G N -2.073 106.319 108.800 -0.680 0.000 2.645 288 G HA2 0.513 4.476 3.960 0.005 0.000 0.292 288 G HA3 0.513 4.476 3.960 0.005 0.000 0.292 288 G C -3.513 171.082 174.900 -0.508 0.000 1.415 288 G CA -1.258 43.220 45.100 -1.037 0.000 0.785 288 G HN -0.109 nan 8.290 nan 0.000 0.483 289 P HA 0.249 nan 4.420 nan 0.000 0.265 289 P C 0.772 178.003 177.300 -0.116 0.000 1.193 289 P CA 0.498 63.493 63.100 -0.175 0.000 0.765 289 P CB 1.213 32.848 31.700 -0.109 0.000 0.823 290 A N 2.987 125.764 122.820 -0.072 0.000 2.125 290 A HA -0.147 4.176 4.320 0.005 0.000 0.219 290 A C 2.007 179.595 177.584 0.006 0.000 1.156 290 A CA 1.790 53.810 52.037 -0.027 0.000 0.671 290 A CB -1.406 17.582 19.000 -0.020 0.000 0.794 290 A HN 0.593 nan 8.150 nan 0.000 0.459 291 S N 0.412 116.111 115.700 -0.001 0.000 2.474 291 S HA -0.138 4.335 4.470 0.005 0.000 0.235 291 S C 1.468 176.092 174.600 0.039 0.000 0.997 291 S CA 1.035 59.247 58.200 0.020 0.000 0.949 291 S CB -0.610 62.597 63.200 0.011 0.000 0.766 291 S HN 0.625 nan 8.310 nan 0.000 0.517 292 N N 1.276 120.004 118.700 0.046 0.000 2.381 292 N HA 0.032 4.775 4.740 0.005 0.000 0.182 292 N C -0.043 175.525 175.510 0.097 0.000 1.025 292 N CA 0.522 53.623 53.050 0.085 0.000 0.888 292 N CB -0.103 38.461 38.487 0.128 0.000 0.965 292 N HN 0.322 nan 8.380 nan 0.000 0.438 293 V N 1.079 121.050 119.914 0.094 0.000 2.461 293 V HA 0.367 4.490 4.120 0.005 0.000 0.275 293 V C 1.126 177.291 176.094 0.117 0.000 1.047 293 V CA -0.667 61.712 62.300 0.132 0.000 0.955 293 V CB 1.075 32.993 31.823 0.157 0.000 0.988 293 V HN 0.088 nan 8.190 nan 0.000 0.471 294 G N 2.959 111.821 108.800 0.102 0.000 2.509 294 G HA2 0.577 4.540 3.960 0.005 0.000 0.269 294 G HA3 0.577 4.540 3.960 0.005 0.000 0.269 294 G C 0.180 175.068 174.900 -0.019 0.000 1.416 294 G CA -0.220 44.904 45.100 0.039 0.000 1.052 294 G HN 1.076 nan 8.290 nan 0.000 0.542 295 A N 0.202 122.964 122.820 -0.097 0.000 2.540 295 A HA 0.388 4.711 4.320 0.005 0.000 0.239 295 A C 0.995 178.303 177.584 -0.460 0.000 1.061 295 A CA -0.076 51.843 52.037 -0.197 0.000 0.758 295 A CB -0.092 18.815 19.000 -0.155 0.000 0.991 295 A HN 0.727 nan 8.150 nan 0.000 0.502 296 E N 3.245 123.055 120.200 -0.651 0.000 2.438 296 E HA -0.020 4.333 4.350 0.005 0.000 0.261 296 E C -2.093 173.997 176.600 -0.849 0.000 1.103 296 E CA -0.815 54.862 56.400 -1.205 0.000 0.959 296 E CB -0.344 28.878 29.700 -0.797 0.000 0.958 296 E HN 0.357 nan 8.360 nan 0.000 0.447 297 P HA -0.200 nan 4.420 nan 0.000 0.216 297 P C 1.046 178.144 177.300 -0.337 0.000 1.157 297 P CA 1.549 64.319 63.100 -0.551 0.000 0.880 297 P CB 0.161 31.569 31.700 -0.488 0.000 0.791 298 E N -1.078 118.953 120.200 -0.281 0.000 2.268 298 E HA -0.062 4.291 4.350 0.005 0.000 0.195 298 E C 1.795 178.320 176.600 -0.125 0.000 0.995 298 E CA 1.135 57.444 56.400 -0.152 0.000 0.836 298 E CB -0.477 29.177 29.700 -0.076 0.000 0.763 298 E HN 0.223 nan 8.360 nan 0.000 0.491 299 A N 0.603 123.327 122.820 -0.160 0.000 2.267 299 A HA 0.399 4.722 4.320 0.005 0.000 0.213 299 A C 1.256 178.762 177.584 -0.130 0.000 1.192 299 A CA 0.409 52.377 52.037 -0.116 0.000 0.851 299 A CB 0.155 19.096 19.000 -0.097 0.000 0.881 299 A HN 0.145 nan 8.150 nan 0.000 0.494 300 A N 0.115 122.829 122.820 -0.177 0.000 2.366 300 A HA 0.526 4.849 4.320 0.005 0.000 0.249 300 A C 1.001 178.517 177.584 -0.114 0.000 1.084 300 A CA 0.167 52.110 52.037 -0.157 0.000 0.794 300 A CB -0.380 18.499 19.000 -0.202 0.000 1.034 300 A HN 0.879 nan 8.150 nan 0.000 0.491 301 G N -0.410 108.335 108.800 -0.092 0.000 2.559 301 G HA2 0.280 4.243 3.960 0.005 0.000 0.235 301 G HA3 0.280 4.243 3.960 0.005 0.000 0.235 301 G C 0.880 175.732 174.900 -0.079 0.000 1.266 301 G CA 0.066 45.122 45.100 -0.073 0.000 0.847 301 G HN 0.851 nan 8.290 nan 0.000 0.583 302 I N 0.407 120.937 120.570 -0.067 0.000 2.335 302 I HA -0.171 4.002 4.170 0.005 0.000 0.251 302 I C 2.765 178.839 176.117 -0.072 0.000 1.129 302 I CA 1.710 62.969 61.300 -0.068 0.000 1.402 302 I CB 0.061 38.029 38.000 -0.053 0.000 1.069 302 I HN 0.751 nan 8.210 nan 0.000 0.424 303 E N 1.303 121.465 120.200 -0.064 0.000 2.338 303 E HA -0.163 4.190 4.350 0.005 0.000 0.197 303 E C 1.793 178.347 176.600 -0.078 0.000 1.007 303 E CA 1.145 57.507 56.400 -0.062 0.000 0.849 303 E CB -0.400 29.272 29.700 -0.047 0.000 0.774 303 E HN 0.517 nan 8.360 nan 0.000 0.506 304 A N 0.899 123.665 122.820 -0.090 0.000 2.168 304 A HA -0.095 4.228 4.320 0.005 0.000 0.215 304 A C 0.863 178.365 177.584 -0.137 0.000 1.152 304 A CA 0.551 52.522 52.037 -0.110 0.000 0.716 304 A CB -0.220 18.707 19.000 -0.121 0.000 0.794 304 A HN 0.179 nan 8.150 nan 0.000 0.465 305 Q N -2.357 117.365 119.800 -0.130 0.000 2.451 305 Q HA -0.248 4.095 4.340 0.005 0.000 0.305 305 Q C 0.914 176.809 176.000 -0.175 0.000 1.345 305 Q CA 1.264 56.981 55.803 -0.145 0.000 0.854 305 Q CB -2.302 26.349 28.738 -0.144 0.000 1.162 305 Q HN 1.749 nan 8.270 nan 0.000 0.440 306 G N -1.534 107.163 108.800 -0.172 0.000 2.176 306 G HA2 -0.295 3.668 3.960 0.005 0.000 0.253 306 G HA3 -0.295 3.668 3.960 0.005 0.000 0.253 306 G C 0.202 174.975 174.900 -0.211 0.000 0.979 306 G CA 0.346 45.330 45.100 -0.193 0.000 0.641 306 G HN 0.320 nan 8.290 nan 0.000 0.530 307 L N -0.182 120.920 121.223 -0.202 0.000 2.365 307 L HA 0.842 5.185 4.340 0.005 0.000 0.267 307 L C 1.006 177.738 176.870 -0.230 0.000 1.033 307 L CA -0.354 54.370 54.840 -0.193 0.000 0.802 307 L CB 1.706 43.664 42.059 -0.169 0.000 1.267 307 L HN 0.313 nan 8.230 nan 0.000 0.457 308 G N -2.256 106.400 108.800 -0.240 0.000 2.782 308 G HA2 0.364 4.327 3.960 0.005 0.000 0.304 308 G HA3 0.364 4.327 3.960 0.005 0.000 0.304 308 G C -1.398 173.448 174.900 -0.090 0.000 1.315 308 G CA -0.511 44.367 45.100 -0.370 0.000 0.791 308 G HN 0.700 nan 8.290 nan 0.000 0.519 309 W N 0.114 121.359 121.300 -0.092 0.000 5.538 309 W HA -0.171 4.492 4.660 0.005 0.000 0.377 309 W C 0.734 177.243 176.519 -0.017 0.000 1.406 309 W CA 0.889 58.197 57.345 -0.062 0.000 0.940 309 W CB -1.104 28.306 29.460 -0.084 0.000 2.536 309 W HN 0.602 nan 8.180 nan 0.000 1.504 310 K N 1.611 122.084 120.400 0.122 0.000 2.447 310 K HA 0.192 4.515 4.320 0.005 0.000 0.281 310 K C 0.522 177.207 176.600 0.141 0.000 1.031 310 K CA 0.474 56.834 56.287 0.120 0.000 1.019 310 K CB 0.641 33.175 32.500 0.056 0.000 0.918 310 K HN -0.019 nan 8.250 nan 0.000 0.476 311 S N 2.987 118.791 115.700 0.173 0.000 2.451 311 S HA 0.475 4.948 4.470 0.005 0.000 0.301 311 S C 0.418 175.100 174.600 0.136 0.000 1.116 311 S CA -0.464 57.837 58.200 0.167 0.000 1.093 311 S CB 1.535 64.861 63.200 0.211 0.000 1.017 311 S HN 0.686 nan 8.310 nan 0.000 0.482 312 A N 4.155 127.048 122.820 0.123 0.000 2.251 312 A HA 0.196 4.519 4.320 0.005 0.000 0.209 312 A C 0.204 177.855 177.584 0.113 0.000 1.187 312 A CA 0.068 52.162 52.037 0.095 0.000 0.823 312 A CB -0.387 18.658 19.000 0.075 0.000 0.846 312 A HN 0.837 nan 8.150 nan 0.000 0.486 313 Y N 2.140 122.455 120.300 0.025 0.000 2.585 313 Y HA 0.368 4.921 4.550 0.005 0.000 0.354 313 Y C 0.970 176.866 175.900 -0.007 0.000 1.024 313 Y CA -0.480 57.624 58.100 0.008 0.000 1.321 313 Y CB -0.510 37.955 38.460 0.008 0.000 1.151 313 Y HN 0.548 nan 8.280 nan 0.000 0.525 314 R N 0.383 120.593 120.500 -0.483 0.000 3.923 314 R HA -0.326 4.017 4.340 0.005 0.000 0.400 314 R C 1.592 177.767 176.300 -0.209 0.000 0.241 314 R CA 2.282 58.117 56.100 -0.442 0.000 1.284 314 R CB -1.679 28.188 30.300 -0.722 0.000 1.006 314 R HN 0.743 nan 8.270 nan 0.000 0.559 315 T N -0.545 113.895 114.554 -0.190 0.000 3.072 315 T HA 0.127 4.480 4.350 0.005 0.000 0.266 315 T C 1.428 176.101 174.700 -0.046 0.000 1.127 315 T CA 1.498 63.530 62.100 -0.113 0.000 1.107 315 T CB -0.016 68.763 68.868 -0.149 0.000 0.910 315 T HN 1.317 nan 8.240 nan 0.000 0.513 316 G N 1.856 110.648 108.800 -0.013 0.000 2.155 316 G HA2 -0.275 3.688 3.960 0.005 0.000 0.257 316 G HA3 -0.275 3.688 3.960 0.005 0.000 0.257 316 G C -0.060 174.902 174.900 0.104 0.000 0.983 316 G CA 0.689 45.846 45.100 0.095 0.000 0.676 316 G HN 1.061 nan 8.290 nan 0.000 0.528 317 K N -2.359 117.977 120.400 -0.107 0.000 2.617 317 K HA 0.631 4.954 4.320 0.005 0.000 0.293 317 K C 1.091 177.335 176.600 -0.593 0.000 1.034 317 K CA -0.069 55.944 56.287 -0.458 0.000 0.884 317 K CB 0.950 33.255 32.500 -0.325 0.000 1.541 317 K HN 1.730 nan 8.250 nan 0.000 0.409 318 G N 0.861 109.138 108.800 -0.871 0.000 2.629 318 G HA2 -0.453 3.510 3.960 0.005 0.000 0.313 318 G HA3 -0.453 3.510 3.960 0.005 0.000 0.313 318 G C 1.093 175.514 174.900 -0.799 0.000 1.217 318 G CA 1.826 46.381 45.100 -0.907 0.000 0.994 318 G HN 1.360 nan 8.290 nan 0.000 0.549 319 A N -0.757 121.362 122.820 -1.168 0.000 2.024 319 A HA 0.080 4.403 4.320 0.005 0.000 0.220 319 A C 1.792 179.267 177.584 -0.181 0.000 1.164 319 A CA 2.512 54.257 52.037 -0.485 0.000 0.643 319 A CB -0.319 18.430 19.000 -0.418 0.000 0.806 319 A HN 0.599 nan 8.150 nan 0.000 0.451 320 D N -0.243 120.041 120.400 -0.194 0.000 2.340 320 D HA 0.334 4.977 4.640 0.005 0.000 0.217 320 D C 0.695 177.054 176.300 0.097 0.000 1.081 320 D CA 0.595 54.608 54.000 0.022 0.000 0.842 320 D CB -0.077 40.685 40.800 -0.063 0.000 0.934 320 D HN 0.425 nan 8.370 nan 0.000 0.511 321 A N 0.873 123.679 122.820 -0.023 0.000 2.498 321 A HA 0.347 4.670 4.320 0.005 0.000 0.239 321 A C 0.184 177.860 177.584 0.152 0.000 1.068 321 A CA 0.293 52.349 52.037 0.031 0.000 0.766 321 A CB 0.149 19.068 19.000 -0.135 0.000 1.003 321 A HN 0.181 nan 8.150 nan 0.000 0.497 322 I N 2.257 122.932 120.570 0.176 0.000 2.500 322 I HA 0.300 4.473 4.170 0.005 0.000 0.286 322 I C 0.439 176.621 176.117 0.109 0.000 1.063 322 I CA -0.189 61.182 61.300 0.117 0.000 1.062 322 I CB 2.356 40.388 38.000 0.053 0.000 1.223 322 I HN 0.791 nan 8.210 nan 0.000 0.435 323 T N 1.188 115.796 114.554 0.091 0.000 3.447 323 T HA -0.013 4.340 4.350 0.005 0.000 0.218 323 T C 1.560 176.228 174.700 -0.053 0.000 0.972 323 T CA 0.788 62.881 62.100 -0.011 0.000 1.264 323 T CB 0.016 68.922 68.868 0.064 0.000 1.284 323 T HN 0.610 nan 8.240 nan 0.000 0.361 324 S N 0.600 116.309 115.700 0.015 0.000 2.470 324 S HA 0.348 4.821 4.470 0.005 0.000 0.225 324 S C 1.937 176.534 174.600 -0.004 0.000 1.006 324 S CA 0.987 59.193 58.200 0.009 0.000 0.934 324 S CB -0.184 63.052 63.200 0.060 0.000 0.778 324 S HN 1.054 nan 8.310 nan 0.000 0.517 325 G N 0.632 109.426 108.800 -0.011 0.000 2.175 325 G HA2 -0.213 3.750 3.960 0.005 0.000 0.244 325 G HA3 -0.213 3.750 3.960 0.005 0.000 0.244 325 G C -0.093 174.774 174.900 -0.055 0.000 0.982 325 G CA 0.214 45.289 45.100 -0.041 0.000 0.641 325 G HN 0.514 nan 8.290 nan 0.000 0.527 326 L N 0.161 121.359 121.223 -0.042 0.000 2.379 326 L HA 0.735 5.078 4.340 0.005 0.000 0.269 326 L C 0.421 177.214 176.870 -0.129 0.000 1.084 326 L CA -0.691 54.108 54.840 -0.070 0.000 0.802 326 L CB 1.542 43.579 42.059 -0.036 0.000 1.175 326 L HN 0.103 nan 8.230 nan 0.000 0.448 327 E N 1.896 121.996 120.200 -0.166 0.000 2.873 327 E HA 0.434 4.787 4.350 0.005 0.000 0.232 327 E C -1.717 174.712 176.600 -0.285 0.000 1.123 327 E CA -0.178 56.087 56.400 -0.225 0.000 0.809 327 E CB 0.970 30.559 29.700 -0.186 0.000 1.366 327 E HN 0.232 nan 8.360 nan 0.000 0.400 328 V N 2.714 122.383 119.914 -0.409 0.000 2.638 328 V HA 0.580 4.703 4.120 0.005 0.000 0.306 328 V C -0.425 175.196 176.094 -0.788 0.000 1.052 328 V CA -0.685 61.275 62.300 -0.566 0.000 0.885 328 V CB 2.339 33.785 31.823 -0.629 0.000 0.999 328 V HN 0.538 nan 8.190 nan 0.000 0.424 329 T N 4.318 118.513 114.554 -0.597 0.000 2.840 329 T HA 0.314 4.667 4.350 0.005 0.000 0.287 329 T C 0.423 174.941 174.700 -0.302 0.000 0.991 329 T CA -0.422 61.411 62.100 -0.445 0.000 0.964 329 T CB 1.061 69.864 68.868 -0.109 0.000 0.954 329 T HN 0.719 nan 8.240 nan 0.000 0.438 330 W N 2.457 123.736 121.300 -0.036 0.000 2.494 330 W HA 0.042 4.705 4.660 0.006 0.000 0.286 330 W C 1.395 177.888 176.519 -0.043 0.000 1.218 330 W CA 0.439 57.765 57.345 -0.030 0.000 1.313 330 W CB -0.272 29.217 29.460 0.049 0.000 1.105 330 W HN 0.596 nan 8.180 nan 0.000 0.561 331 T N -3.352 111.298 114.554 0.160 0.000 2.930 331 T HA 0.283 4.636 4.350 0.005 0.000 0.290 331 T C 1.039 175.731 174.700 -0.014 0.000 1.052 331 T CA 0.090 62.214 62.100 0.040 0.000 1.017 331 T CB 2.219 71.059 68.868 -0.047 0.000 1.137 331 T HN -0.048 nan 8.240 nan 0.000 0.511 332 T N -1.626 112.917 114.554 -0.019 0.000 3.035 332 T HA 0.095 4.448 4.350 0.005 0.000 0.268 332 T C 1.023 175.681 174.700 -0.070 0.000 1.109 332 T CA 0.964 63.050 62.100 -0.023 0.000 1.119 332 T CB -0.768 68.102 68.868 0.004 0.000 0.900 332 T HN 1.051 nan 8.240 nan 0.000 0.503 333 T N -1.154 113.331 114.554 -0.115 0.000 3.418 333 T HA 0.489 4.842 4.350 0.005 0.000 0.315 333 T C -2.600 171.966 174.700 -0.223 0.000 1.447 333 T CA -1.449 60.559 62.100 -0.153 0.000 1.641 333 T CB 1.458 70.268 68.868 -0.096 0.000 0.904 333 T HN -0.097 nan 8.240 nan 0.000 0.640 334 P HA -0.058 nan 4.420 nan 0.000 0.223 334 P C 1.374 178.546 177.300 -0.213 0.000 1.144 334 P CA 1.068 63.930 63.100 -0.397 0.000 0.783 334 P CB -0.003 31.108 31.700 -0.981 0.000 0.771 335 T N -5.779 108.647 114.554 -0.212 0.000 3.174 335 T HA 0.270 4.623 4.350 0.005 0.000 0.269 335 T C 0.300 175.001 174.700 0.002 0.000 1.017 335 T CA -0.318 61.711 62.100 -0.118 0.000 0.899 335 T CB -0.288 68.469 68.868 -0.185 0.000 1.077 335 T HN 0.044 nan 8.240 nan 0.000 0.552 336 Q N 0.597 120.440 119.800 0.071 0.000 2.305 336 Q HA 0.287 4.630 4.340 0.005 0.000 0.271 336 Q C -1.216 174.867 176.000 0.139 0.000 1.046 336 Q CA -0.926 54.970 55.803 0.155 0.000 0.798 336 Q CB 2.001 30.782 28.738 0.072 0.000 1.286 336 Q HN 0.542 nan 8.270 nan 0.000 0.435 337 W N 3.570 124.964 121.300 0.156 0.000 2.314 337 W HA 0.108 4.771 4.660 0.005 0.000 0.339 337 W C -0.587 175.928 176.519 -0.006 0.000 1.293 337 W CA 1.260 58.620 57.345 0.025 0.000 1.288 337 W CB 0.623 30.265 29.460 0.304 0.000 1.186 337 W HN 0.767 nan 8.180 nan 0.000 0.566 338 S N 3.904 119.054 115.700 -0.916 0.000 2.688 338 S HA 0.194 4.667 4.470 0.005 0.000 0.275 338 S C -0.462 173.690 174.600 -0.748 0.000 1.175 338 S CA -0.797 57.033 58.200 -0.615 0.000 0.818 338 S CB 1.856 64.865 63.200 -0.317 0.000 1.157 338 S HN 0.682 nan 8.310 nan 0.000 0.482 339 H N 0.515 119.370 119.070 -0.358 0.000 2.487 339 H HA 0.346 4.905 4.556 0.005 0.000 0.290 339 H C 1.000 176.323 175.328 -0.008 0.000 1.081 339 H CA -0.079 55.900 56.048 -0.116 0.000 1.116 339 H CB -0.099 29.703 29.762 0.067 0.000 1.560 339 H HN 0.738 nan 8.280 nan 0.000 0.548 340 N N 0.076 118.695 118.700 -0.136 0.000 2.354 340 N HA -0.132 4.610 4.740 0.005 0.000 0.179 340 N C 1.710 177.158 175.510 -0.103 0.000 1.021 340 N CA 0.087 53.096 53.050 -0.068 0.000 0.887 340 N CB 0.030 38.482 38.487 -0.057 0.000 0.974 340 N HN 0.257 nan 8.380 nan 0.000 0.437 341 F N 1.171 120.909 119.950 -0.353 0.000 2.043 341 F HA -0.217 4.313 4.527 0.005 0.000 0.297 341 F C 1.678 177.215 175.800 -0.438 0.000 1.121 341 F CA 1.820 59.555 58.000 -0.441 0.000 1.199 341 F CB -0.602 37.973 39.000 -0.708 0.000 0.968 341 F HN -0.015 nan 8.300 nan 0.000 0.478 342 F N 0.378 120.160 119.950 -0.280 0.000 2.259 342 F HA -0.110 4.420 4.527 0.005 0.000 0.298 342 F C 2.338 177.923 175.800 -0.359 0.000 1.088 342 F CA 1.020 58.808 58.000 -0.355 0.000 1.358 342 F CB -0.452 38.413 39.000 -0.225 0.000 1.040 342 F HN 0.031 nan 8.300 nan 0.000 0.505 343 E N 0.425 120.624 120.200 -0.001 0.000 2.038 343 E HA -0.224 4.129 4.350 0.005 0.000 0.195 343 E C 1.865 178.457 176.600 -0.014 0.000 1.000 343 E CA 1.447 57.888 56.400 0.069 0.000 0.803 343 E CB -0.190 29.598 29.700 0.146 0.000 0.750 343 E HN 0.342 nan 8.360 nan 0.000 0.448 344 N N 0.779 119.486 118.700 0.011 0.000 2.084 344 N HA -0.152 4.591 4.740 0.005 0.000 0.190 344 N C 1.873 177.539 175.510 0.260 0.000 1.030 344 N CA 0.630 53.810 53.050 0.217 0.000 0.849 344 N CB -0.503 38.131 38.487 0.244 0.000 1.012 344 N HN 0.058 nan 8.380 nan 0.000 0.423 345 L N 0.122 121.258 121.223 -0.144 0.000 2.013 345 L HA -0.094 4.248 4.340 0.005 0.000 0.212 345 L C 1.707 178.479 176.870 -0.162 0.000 1.073 345 L CA 1.700 56.357 54.840 -0.305 0.000 0.753 345 L CB -0.641 40.923 42.059 -0.824 0.000 0.890 345 L HN 0.101 nan 8.230 nan 0.000 0.432 346 F N -1.633 118.265 119.950 -0.087 0.000 2.619 346 F HA 0.171 4.701 4.527 0.005 0.000 0.293 346 F C 2.203 177.934 175.800 -0.114 0.000 1.119 346 F CA 0.414 58.336 58.000 -0.129 0.000 1.445 346 F CB -0.276 38.547 39.000 -0.295 0.000 1.119 346 F HN 0.165 nan 8.300 nan 0.000 0.573 347 G N -1.285 107.503 108.800 -0.020 0.000 2.683 347 G HA2 0.010 3.973 3.960 0.005 0.000 0.213 347 G HA3 0.010 3.973 3.960 0.005 0.000 0.213 347 G C -0.141 174.420 174.900 -0.565 0.000 1.142 347 G CA 0.263 45.198 45.100 -0.276 0.000 0.793 347 G HN 0.220 nan 8.290 nan 0.000 0.534 348 Y N -0.344 119.860 120.300 -0.161 0.000 2.598 348 Y HA 0.566 5.119 4.550 0.005 0.000 0.340 348 Y C -0.044 175.556 175.900 -0.500 0.000 1.038 348 Y CA -1.330 56.517 58.100 -0.421 0.000 1.100 348 Y CB 1.440 39.399 38.460 -0.836 0.000 1.281 348 Y HN -0.185 nan 8.280 nan 0.000 0.488 349 E N 0.654 120.682 120.200 -0.286 0.000 2.242 349 E HA 0.188 4.540 4.350 0.005 0.000 0.275 349 E C -1.612 174.713 176.600 -0.459 0.000 1.002 349 E CA -0.564 55.705 56.400 -0.218 0.000 0.841 349 E CB 1.194 30.886 29.700 -0.013 0.000 1.109 349 E HN 0.539 nan 8.360 nan 0.000 0.394 350 W N 0.835 122.257 121.300 0.203 0.000 2.573 350 W HA 0.346 5.009 4.660 0.005 0.000 0.326 350 W C 0.425 177.183 176.519 0.398 0.000 1.049 350 W CA -0.637 56.871 57.345 0.273 0.000 1.220 350 W CB 1.236 30.831 29.460 0.225 0.000 1.373 350 W HN 0.367 nan 8.180 nan 0.000 0.507 351 E N 2.745 123.291 120.200 0.577 0.000 2.187 351 E HA 0.371 4.724 4.350 0.005 0.000 0.268 351 E C -1.416 175.236 176.600 0.086 0.000 0.896 351 E CA -1.106 55.477 56.400 0.305 0.000 0.766 351 E CB 1.475 31.248 29.700 0.123 0.000 1.142 351 E HN 0.435 nan 8.360 nan 0.000 0.408 352 L N 4.132 125.149 121.223 -0.344 0.000 2.410 352 L HA 0.321 4.664 4.340 0.005 0.000 0.273 352 L C -0.175 176.450 176.870 -0.408 0.000 1.152 352 L CA 1.037 55.344 54.840 -0.887 0.000 0.855 352 L CB 1.106 42.575 42.059 -0.983 0.000 1.129 352 L HN 0.712 nan 8.230 nan 0.000 0.463 353 T N 4.108 118.443 114.554 -0.365 0.000 2.618 353 T HA 0.550 4.903 4.350 0.005 0.000 0.293 353 T C -1.273 173.335 174.700 -0.153 0.000 1.093 353 T CA -0.701 61.290 62.100 -0.182 0.000 1.061 353 T CB 1.046 69.851 68.868 -0.106 0.000 1.498 353 T HN 0.607 nan 8.240 nan 0.000 0.494 354 K N 1.182 121.513 120.400 -0.114 0.000 2.422 354 K HA 0.562 4.885 4.320 0.005 0.000 0.251 354 K C -0.452 176.084 176.600 -0.106 0.000 0.933 354 K CA -0.780 55.436 56.287 -0.119 0.000 0.798 354 K CB 2.064 34.486 32.500 -0.129 0.000 1.238 354 K HN 0.775 nan 8.250 nan 0.000 0.428 355 S N 1.082 116.715 115.700 -0.112 0.000 2.608 355 S HA 0.202 4.675 4.470 0.005 0.000 0.261 355 S C -1.803 172.729 174.600 -0.112 0.000 1.314 355 S CA -0.878 57.257 58.200 -0.110 0.000 0.992 355 S CB 0.620 63.754 63.200 -0.110 0.000 0.935 355 S HN 0.339 nan 8.310 nan 0.000 0.564 356 P HA 0.016 nan 4.420 nan 0.000 0.220 356 P C 0.880 178.089 177.300 -0.152 0.000 1.144 356 P CA 1.536 64.561 63.100 -0.126 0.000 0.800 356 P CB -0.202 31.414 31.700 -0.140 0.000 0.772 357 A N -1.371 121.360 122.820 -0.149 0.000 2.275 357 A HA 0.495 4.818 4.320 0.005 0.000 0.212 357 A C 1.604 179.115 177.584 -0.122 0.000 1.201 357 A CA 0.623 52.575 52.037 -0.142 0.000 0.843 357 A CB -0.940 17.983 19.000 -0.128 0.000 0.873 357 A HN 0.231 nan 8.150 nan 0.000 0.492 358 G N -1.920 106.802 108.800 -0.128 0.000 2.141 358 G HA2 0.108 4.071 3.960 0.005 0.000 0.231 358 G HA3 0.108 4.071 3.960 0.005 0.000 0.231 358 G C 0.376 175.153 174.900 -0.204 0.000 0.984 358 G CA 0.228 45.239 45.100 -0.148 0.000 0.660 358 G HN 1.542 nan 8.290 nan 0.000 0.525 359 A N 0.633 123.350 122.820 -0.173 0.000 2.316 359 A HA 0.660 4.983 4.320 0.005 0.000 0.284 359 A C 0.469 177.942 177.584 -0.185 0.000 1.115 359 A CA -0.498 51.430 52.037 -0.181 0.000 0.812 359 A CB 0.268 19.218 19.000 -0.082 0.000 1.064 359 A HN 0.427 nan 8.150 nan 0.000 0.489 360 H N 1.553 120.586 119.070 -0.061 0.000 2.886 360 H HA 0.309 4.868 4.556 0.005 0.000 0.329 360 H C 0.355 175.633 175.328 -0.084 0.000 1.044 360 H CA 0.958 56.941 56.048 -0.109 0.000 1.456 360 H CB 0.518 30.234 29.762 -0.077 0.000 1.464 360 H HN 0.779 nan 8.280 nan 0.000 0.573 361 Q N 1.689 121.447 119.800 -0.071 0.000 2.738 361 Q HA 0.356 4.699 4.340 0.005 0.000 0.301 361 Q C -1.867 173.993 176.000 -0.233 0.000 0.901 361 Q CA -1.085 54.711 55.803 -0.012 0.000 0.756 361 Q CB 1.483 30.230 28.738 0.015 0.000 1.463 361 Q HN 0.402 nan 8.270 nan 0.000 0.432 362 W N 0.437 121.750 121.300 0.022 0.000 2.736 362 W HA 0.740 5.404 4.660 0.005 0.000 0.335 362 W C -1.029 175.612 176.519 0.203 0.000 1.059 362 W CA -0.746 56.667 57.345 0.113 0.000 1.226 362 W CB 2.172 31.681 29.460 0.081 0.000 1.416 362 W HN 0.501 nan 8.180 nan 0.000 0.505 363 V N 2.625 122.819 119.914 0.468 0.000 2.735 363 V HA 0.826 4.949 4.120 0.005 0.000 0.310 363 V C -0.443 175.782 176.094 0.218 0.000 1.061 363 V CA -1.144 61.353 62.300 0.328 0.000 0.913 363 V CB 1.629 33.513 31.823 0.100 0.000 1.005 363 V HN 0.662 nan 8.190 nan 0.000 0.428 364 A N 5.845 128.566 122.820 -0.165 0.000 2.451 364 A HA 0.393 4.716 4.320 0.005 0.000 0.266 364 A C 0.257 177.594 177.584 -0.410 0.000 1.119 364 A CA -0.110 51.446 52.037 -0.801 0.000 0.786 364 A CB -0.248 17.952 19.000 -1.335 0.000 1.061 364 A HN 0.834 nan 8.150 nan 0.000 0.503 365 K N 1.695 121.916 120.400 -0.298 0.000 2.416 365 K HA 0.322 4.645 4.320 0.005 0.000 0.283 365 K C 1.224 177.771 176.600 -0.088 0.000 1.037 365 K CA 0.989 57.201 56.287 -0.125 0.000 0.995 365 K CB 0.371 32.831 32.500 -0.067 0.000 0.938 365 K HN 1.335 nan 8.250 nan 0.000 0.475 366 G N 1.489 110.253 108.800 -0.061 0.000 2.155 366 G HA2 -0.332 3.631 3.960 0.005 0.000 0.257 366 G HA3 -0.332 3.631 3.960 0.005 0.000 0.257 366 G C 0.206 175.096 174.900 -0.016 0.000 0.983 366 G CA 0.317 45.402 45.100 -0.026 0.000 0.676 366 G HN 0.813 nan 8.290 nan 0.000 0.528 367 A N -0.224 122.548 122.820 -0.079 0.000 2.322 367 A HA 0.605 4.928 4.320 0.005 0.000 0.269 367 A C 0.376 177.929 177.584 -0.052 0.000 1.094 367 A CA -0.121 51.871 52.037 -0.075 0.000 0.807 367 A CB 0.536 19.273 19.000 -0.440 0.000 1.047 367 A HN 0.248 nan 8.150 nan 0.000 0.487 368 D N 0.515 120.913 120.400 -0.003 0.000 2.358 368 D HA 0.386 5.029 4.640 0.005 0.000 0.244 368 D C 0.370 176.654 176.300 -0.026 0.000 1.163 368 D CA 0.511 54.507 54.000 -0.008 0.000 0.945 368 D CB 0.966 41.776 40.800 0.017 0.000 1.152 368 D HN 0.596 nan 8.370 nan 0.000 0.451 369 A N 1.052 123.857 122.820 -0.025 0.000 2.797 369 A HA 0.265 4.588 4.320 0.005 0.000 0.296 369 A C 1.073 178.647 177.584 -0.016 0.000 1.580 369 A CA -0.432 51.588 52.037 -0.029 0.000 1.277 369 A CB -0.728 18.237 19.000 -0.057 0.000 1.101 369 A HN 0.387 nan 8.150 nan 0.000 0.562 370 V N 0.450 120.367 119.914 0.004 0.000 3.643 370 V HA 0.333 4.456 4.120 0.005 0.000 0.280 370 V C 0.350 176.464 176.094 0.033 0.000 1.351 370 V CA -0.024 62.289 62.300 0.022 0.000 1.073 370 V CB -0.421 31.429 31.823 0.045 0.000 0.863 370 V HN 0.534 nan 8.190 nan 0.000 0.436 371 I N 4.077 124.677 120.570 0.050 0.000 2.331 371 I HA 0.465 4.638 4.170 0.005 0.000 0.292 371 I C -2.365 173.833 176.117 0.135 0.000 0.998 371 I CA -2.412 58.938 61.300 0.084 0.000 1.267 371 I CB 1.135 39.194 38.000 0.098 0.000 1.386 371 I HN 0.128 nan 8.210 nan 0.000 0.476 372 P HA 0.100 nan 4.420 nan 0.000 0.272 372 P C -0.578 176.940 177.300 0.364 0.000 1.223 372 P CA -0.218 62.999 63.100 0.196 0.000 0.784 372 P CB 0.980 32.789 31.700 0.181 0.000 0.923 373 D N 0.323 120.881 120.400 0.262 0.000 2.341 373 D HA 0.307 4.950 4.640 0.005 0.000 0.245 373 D C 1.270 177.559 176.300 -0.018 0.000 1.106 373 D CA -0.282 53.857 54.000 0.232 0.000 0.905 373 D CB 0.742 41.641 40.800 0.165 0.000 1.202 373 D HN 0.281 nan 8.370 nan 0.000 0.426 374 A N 2.436 124.994 122.820 -0.436 0.000 2.066 374 A HA 0.004 4.327 4.320 0.005 0.000 0.218 374 A C 1.116 177.993 177.584 -1.179 0.000 1.157 374 A CA 0.935 52.150 52.037 -1.370 0.000 0.670 374 A CB -0.321 17.851 19.000 -1.381 0.000 0.804 374 A HN 0.644 nan 8.150 nan 0.000 0.453 375 F N -1.803 118.005 119.950 -0.236 0.000 2.815 375 F HA 0.244 4.774 4.527 0.005 0.000 0.328 375 F C 0.113 175.868 175.800 -0.074 0.000 0.982 375 F CA -0.518 57.393 58.000 -0.148 0.000 1.154 375 F CB 0.758 39.666 39.000 -0.153 0.000 0.980 375 F HN 0.028 nan 8.300 nan 0.000 0.603 376 D N 2.081 122.537 120.400 0.093 0.000 2.441 376 D HA 0.258 4.901 4.640 0.005 0.000 0.231 376 D C -1.989 174.328 176.300 0.028 0.000 1.073 376 D CA -2.487 51.549 54.000 0.060 0.000 0.850 376 D CB 1.823 42.656 40.800 0.056 0.000 1.062 376 D HN -0.103 nan 8.370 nan 0.000 0.524 377 P HA -0.112 nan 4.420 nan 0.000 0.222 377 P C 1.036 178.336 177.300 0.001 0.000 1.147 377 P CA 0.746 63.854 63.100 0.014 0.000 0.790 377 P CB 0.123 31.831 31.700 0.014 0.000 0.780 378 S N -2.097 113.600 115.700 -0.005 0.000 2.593 378 S HA 0.097 4.570 4.470 0.005 0.000 0.217 378 S C 0.678 175.250 174.600 -0.047 0.000 0.966 378 S CA -0.163 58.025 58.200 -0.020 0.000 0.914 378 S CB -0.557 62.634 63.200 -0.015 0.000 0.776 378 S HN 0.092 nan 8.310 nan 0.000 0.523 379 K N 1.299 121.660 120.400 -0.065 0.000 2.270 379 K HA 0.527 4.850 4.320 0.005 0.000 0.255 379 K C -0.666 175.796 176.600 -0.230 0.000 0.936 379 K CA -0.803 55.386 56.287 -0.164 0.000 0.809 379 K CB 1.390 33.783 32.500 -0.179 0.000 1.131 379 K HN 0.014 nan 8.250 nan 0.000 0.427 380 K N 1.840 122.053 120.400 -0.311 0.000 2.352 380 K HA 0.506 4.829 4.320 0.005 0.000 0.240 380 K C -0.452 175.854 176.600 -0.489 0.000 1.017 380 K CA -0.821 55.298 56.287 -0.281 0.000 0.851 380 K CB 1.752 34.189 32.500 -0.105 0.000 1.261 380 K HN 0.604 nan 8.250 nan 0.000 0.451 381 H N 0.503 119.571 119.070 -0.003 0.000 2.928 381 H HA 0.351 4.910 4.556 0.005 0.000 0.371 381 H C -0.120 175.185 175.328 -0.040 0.000 1.186 381 H CA -0.804 55.231 56.048 -0.021 0.000 1.134 381 H CB 1.818 31.567 29.762 -0.021 0.000 1.824 381 H HN 0.263 nan 8.280 nan 0.000 0.554 382 R N 1.237 121.780 120.500 0.070 0.000 2.641 382 R HA 0.180 4.523 4.340 0.005 0.000 0.269 382 R C -2.312 173.965 176.300 -0.040 0.000 1.074 382 R CA -1.516 54.563 56.100 -0.035 0.000 1.133 382 R CB -0.177 30.078 30.300 -0.074 0.000 1.029 382 R HN 0.277 nan 8.270 nan 0.000 0.488 383 P HA -0.028 nan 4.420 nan 0.000 0.265 383 P C -0.638 176.732 177.300 0.117 0.000 1.193 383 P CA 0.384 63.460 63.100 -0.039 0.000 0.765 383 P CB 0.693 32.285 31.700 -0.180 0.000 0.823 384 T N 0.075 114.706 114.554 0.127 0.000 2.901 384 T HA 0.843 5.196 4.350 0.005 0.000 0.293 384 T C -0.592 174.058 174.700 -0.082 0.000 1.084 384 T CA -0.845 61.321 62.100 0.110 0.000 1.008 384 T CB 1.246 70.077 68.868 -0.061 0.000 1.170 384 T HN 0.119 nan 8.240 nan 0.000 0.509 385 M N 1.436 120.952 119.600 -0.141 0.000 2.569 385 M HA 0.457 4.939 4.480 0.005 0.000 0.279 385 M C -1.272 175.043 176.300 0.025 0.000 1.253 385 M CA -0.690 54.480 55.300 -0.218 0.000 0.867 385 M CB 2.322 34.441 32.600 -0.801 0.000 1.727 385 M HN 0.676 nan 8.290 nan 0.000 0.467 386 L N 0.720 122.019 121.223 0.126 0.000 2.399 386 L HA 0.357 4.700 4.340 0.005 0.000 0.266 386 L C 1.500 178.442 176.870 0.119 0.000 1.114 386 L CA -0.258 54.712 54.840 0.218 0.000 0.804 386 L CB 0.759 42.988 42.059 0.283 0.000 1.146 386 L HN 0.793 nan 8.230 nan 0.000 0.451 387 T N -0.486 114.225 114.554 0.261 0.000 2.649 387 T HA -0.234 4.119 4.350 0.005 0.000 0.268 387 T C 1.776 176.477 174.700 0.002 0.000 1.036 387 T CA 2.333 64.500 62.100 0.112 0.000 1.157 387 T CB -0.336 68.716 68.868 0.307 0.000 0.861 387 T HN 0.933 nan 8.240 nan 0.000 0.445 388 T N 0.411 115.023 114.554 0.095 0.000 2.915 388 T HA -0.100 4.253 4.350 0.005 0.000 0.269 388 T C 1.474 176.185 174.700 0.018 0.000 1.071 388 T CA 1.113 63.261 62.100 0.081 0.000 1.132 388 T CB -0.285 68.673 68.868 0.150 0.000 0.878 388 T HN 0.278 nan 8.240 nan 0.000 0.479 389 D N 1.647 122.069 120.400 0.037 0.000 2.103 389 D HA 0.052 4.695 4.640 0.005 0.000 0.199 389 D C 2.217 178.416 176.300 -0.169 0.000 0.978 389 D CA 0.733 54.742 54.000 0.015 0.000 0.829 389 D CB -0.288 40.576 40.800 0.107 0.000 0.981 389 D HN 0.354 nan 8.370 nan 0.000 0.464 390 L N 1.089 122.133 121.223 -0.299 0.000 2.131 390 L HA -0.151 4.192 4.340 0.005 0.000 0.210 390 L C 2.430 179.238 176.870 -0.104 0.000 1.092 390 L CA 0.713 55.350 54.840 -0.337 0.000 0.759 390 L CB -0.511 41.227 42.059 -0.534 0.000 0.903 390 L HN -0.046 nan 8.230 nan 0.000 0.435 391 S N 0.558 116.233 115.700 -0.041 0.000 2.392 391 S HA -0.208 4.265 4.470 0.005 0.000 0.232 391 S C 1.896 176.556 174.600 0.099 0.000 1.041 391 S CA 1.367 59.611 58.200 0.074 0.000 1.026 391 S CB -0.394 62.870 63.200 0.106 0.000 0.845 391 S HN 0.390 nan 8.310 nan 0.000 0.465 392 L N 0.406 121.605 121.223 -0.041 0.000 2.376 392 L HA 0.024 4.367 4.340 0.005 0.000 0.219 392 L C 2.587 179.411 176.870 -0.076 0.000 1.133 392 L CA 0.919 55.727 54.840 -0.052 0.000 0.816 392 L CB -0.350 41.658 42.059 -0.085 0.000 0.933 392 L HN 0.259 nan 8.230 nan 0.000 0.449 393 R N -0.341 119.991 120.500 -0.281 0.000 2.175 393 R HA 0.030 4.373 4.340 0.005 0.000 0.202 393 R C 1.805 177.807 176.300 -0.497 0.000 1.018 393 R CA 0.602 56.401 56.100 -0.503 0.000 1.029 393 R CB 0.130 29.843 30.300 -0.977 0.000 0.959 393 R HN 0.176 nan 8.270 nan 0.000 0.480 394 F N 0.620 120.551 119.950 -0.031 0.000 2.731 394 F HA 0.187 4.717 4.527 0.005 0.000 0.298 394 F C 0.620 176.412 175.800 -0.012 0.000 1.106 394 F CA -0.402 57.582 58.000 -0.026 0.000 1.329 394 F CB 0.418 39.369 39.000 -0.081 0.000 1.100 394 F HN -0.029 nan 8.300 nan 0.000 0.592 395 D N 1.902 122.373 120.400 0.120 0.000 2.317 395 D HA 0.055 4.698 4.640 0.005 0.000 0.252 395 D C -1.933 174.363 176.300 -0.006 0.000 1.174 395 D CA -1.651 52.361 54.000 0.021 0.000 0.866 395 D CB 1.770 42.521 40.800 -0.082 0.000 1.127 395 D HN -0.023 nan 8.370 nan 0.000 0.467 396 P HA -0.150 nan 4.420 nan 0.000 0.215 396 P C 0.957 178.230 177.300 -0.045 0.000 1.157 396 P CA 1.501 64.588 63.100 -0.022 0.000 0.874 396 P CB 0.183 31.868 31.700 -0.025 0.000 0.790 397 A N -1.689 121.067 122.820 -0.107 0.000 1.898 397 A HA -0.186 4.137 4.320 0.005 0.000 0.216 397 A C 2.203 179.778 177.584 -0.016 0.000 1.181 397 A CA 1.239 53.216 52.037 -0.099 0.000 0.620 397 A CB -1.838 17.067 19.000 -0.159 0.000 0.819 397 A HN 0.196 nan 8.150 nan 0.000 0.442 398 Y N -0.520 119.743 120.300 -0.061 0.000 2.224 398 Y HA -0.213 4.340 4.550 0.005 0.000 0.289 398 Y C 2.704 178.554 175.900 -0.083 0.000 1.146 398 Y CA 0.920 58.971 58.100 -0.081 0.000 1.182 398 Y CB 0.011 38.426 38.460 -0.074 0.000 0.983 398 Y HN 0.372 nan 8.280 nan 0.000 0.524 399 E N 1.454 121.716 120.200 0.104 0.000 2.085 399 E HA -0.219 4.134 4.350 0.005 0.000 0.194 399 E C 1.711 178.317 176.600 0.010 0.000 0.994 399 E CA 1.356 57.802 56.400 0.077 0.000 0.801 399 E CB -0.033 29.694 29.700 0.045 0.000 0.743 399 E HN 0.503 nan 8.360 nan 0.000 0.453 400 K N -0.003 120.375 120.400 -0.037 0.000 2.097 400 K HA -0.100 4.223 4.320 0.005 0.000 0.206 400 K C 2.363 178.860 176.600 -0.172 0.000 1.049 400 K CA 1.345 57.575 56.287 -0.094 0.000 0.933 400 K CB -0.111 32.345 32.500 -0.075 0.000 0.717 400 K HN 0.191 nan 8.250 nan 0.000 0.442 401 I N 0.764 121.212 120.570 -0.203 0.000 2.233 401 I HA -0.243 3.930 4.170 0.005 0.000 0.243 401 I C 2.240 177.970 176.117 -0.644 0.000 1.093 401 I CA 0.986 62.014 61.300 -0.452 0.000 1.380 401 I CB -0.251 37.511 38.000 -0.397 0.000 1.067 401 I HN 0.024 nan 8.210 nan 0.000 0.413 402 S N 0.619 116.086 115.700 -0.388 0.000 2.365 402 S HA -0.189 4.284 4.470 0.005 0.000 0.225 402 S C 2.120 176.456 174.600 -0.440 0.000 1.039 402 S CA 1.245 59.151 58.200 -0.490 0.000 1.033 402 S CB -0.311 62.873 63.200 -0.026 0.000 0.887 402 S HN 0.318 nan 8.310 nan 0.000 0.447 403 R N 0.901 121.261 120.500 -0.232 0.000 2.073 403 R HA -0.011 4.332 4.340 0.005 0.000 0.234 403 R C 2.526 178.697 176.300 -0.214 0.000 1.134 403 R CA 1.258 57.158 56.100 -0.334 0.000 0.952 403 R CB -0.577 29.514 30.300 -0.348 0.000 0.850 403 R HN 0.406 nan 8.270 nan 0.000 0.433 404 R N 0.071 120.440 120.500 -0.219 0.000 2.091 404 R HA -0.096 4.247 4.340 0.005 0.000 0.238 404 R C 2.253 178.578 176.300 0.042 0.000 1.136 404 R CA 1.493 57.520 56.100 -0.122 0.000 0.959 404 R CB -0.317 29.883 30.300 -0.166 0.000 0.856 404 R HN 0.205 nan 8.270 nan 0.000 0.437 405 F N -0.904 118.958 119.950 -0.146 0.000 2.186 405 F HA -0.208 4.321 4.527 0.005 0.000 0.299 405 F C 2.634 178.474 175.800 0.067 0.000 1.090 405 F CA 0.969 58.928 58.000 -0.067 0.000 1.307 405 F CB -0.344 38.461 39.000 -0.325 0.000 1.019 405 F HN 0.312 nan 8.300 nan 0.000 0.489 406 H N 0.723 119.775 119.070 -0.030 0.000 2.321 406 H HA -0.156 4.403 4.556 0.005 0.000 0.300 406 H C 1.731 177.127 175.328 0.113 0.000 1.087 406 H CA 1.830 58.041 56.048 0.271 0.000 1.319 406 H CB 0.046 29.851 29.762 0.072 0.000 1.379 406 H HN 0.329 nan 8.280 nan 0.000 0.501 407 E N -0.123 120.021 120.200 -0.094 0.000 2.285 407 E HA -0.019 4.334 4.350 0.005 0.000 0.194 407 E C 0.056 176.595 176.600 -0.102 0.000 0.997 407 E CA 0.297 56.590 56.400 -0.179 0.000 0.845 407 E CB 0.315 29.932 29.700 -0.137 0.000 0.782 407 E HN 0.413 nan 8.360 nan 0.000 0.491 408 N N 0.618 119.313 118.700 -0.007 0.000 2.791 408 N HA 0.116 4.859 4.740 0.005 0.000 0.265 408 N C -2.388 173.186 175.510 0.108 0.000 1.580 408 N CA -0.958 52.119 53.050 0.046 0.000 0.809 408 N CB 1.438 39.986 38.487 0.102 0.000 1.178 408 N HN -0.049 nan 8.380 nan 0.000 0.499 409 P HA -0.195 nan 4.420 nan 0.000 0.217 409 P C 1.570 179.014 177.300 0.240 0.000 1.148 409 P CA 1.322 64.441 63.100 0.032 0.000 0.828 409 P CB 0.382 31.955 31.700 -0.211 0.000 0.783 410 E N 0.548 120.841 120.200 0.155 0.000 2.150 410 E HA -0.219 4.134 4.350 0.005 0.000 0.193 410 E C 1.748 178.446 176.600 0.163 0.000 0.985 410 E CA 1.354 57.844 56.400 0.149 0.000 0.814 410 E CB -1.096 28.661 29.700 0.095 0.000 0.752 410 E HN 0.369 nan 8.360 nan 0.000 0.466 411 Q N -0.508 119.413 119.800 0.201 0.000 2.123 411 Q HA -0.063 4.280 4.340 0.005 0.000 0.199 411 Q C 2.013 178.115 176.000 0.170 0.000 0.966 411 Q CA 1.297 57.239 55.803 0.232 0.000 0.845 411 Q CB -0.310 28.622 28.738 0.323 0.000 0.907 411 Q HN 0.285 nan 8.270 nan 0.000 0.439 412 F N 1.476 121.385 119.950 -0.068 0.000 2.102 412 F HA -0.155 4.374 4.527 0.004 0.000 0.298 412 F C 2.097 177.900 175.800 0.006 0.000 1.105 412 F CA 1.358 59.073 58.000 -0.475 0.000 1.239 412 F CB -0.730 38.247 39.000 -0.038 0.000 0.991 412 F HN -0.015 nan 8.300 nan 0.000 0.474 413 A N -0.224 122.645 122.820 0.082 0.000 1.908 413 A HA -0.250 4.073 4.320 0.005 0.000 0.218 413 A C 1.971 179.583 177.584 0.045 0.000 1.181 413 A CA 2.119 54.213 52.037 0.095 0.000 0.627 413 A CB -1.309 17.787 19.000 0.160 0.000 0.818 413 A HN 0.514 nan 8.150 nan 0.000 0.445 414 D N -0.736 119.691 120.400 0.045 0.000 2.123 414 D HA 0.061 4.704 4.640 0.005 0.000 0.200 414 D C 2.058 178.396 176.300 0.064 0.000 0.976 414 D CA 1.386 55.414 54.000 0.046 0.000 0.831 414 D CB -0.187 40.655 40.800 0.070 0.000 0.974 414 D HN 0.322 nan 8.370 nan 0.000 0.469 415 A N -0.136 122.735 122.820 0.084 0.000 1.908 415 A HA -0.143 4.180 4.320 0.005 0.000 0.218 415 A C 2.259 179.948 177.584 0.175 0.000 1.181 415 A CA 1.269 53.385 52.037 0.132 0.000 0.627 415 A CB -1.294 17.820 19.000 0.189 0.000 0.818 415 A HN 0.505 nan 8.150 nan 0.000 0.445 416 F N 0.625 120.552 119.950 -0.038 0.000 2.102 416 F HA -0.074 4.456 4.527 0.005 0.000 0.298 416 F C 2.608 178.486 175.800 0.130 0.000 1.105 416 F CA 1.171 59.155 58.000 -0.028 0.000 1.239 416 F CB -0.170 38.660 39.000 -0.283 0.000 0.991 416 F HN 0.298 nan 8.300 nan 0.000 0.474 417 A N 1.039 123.907 122.820 0.080 0.000 1.892 417 A HA -0.276 4.047 4.320 0.005 0.000 0.218 417 A C 2.179 179.798 177.584 0.058 0.000 1.188 417 A CA 2.144 54.236 52.037 0.092 0.000 0.631 417 A CB -0.898 18.137 19.000 0.058 0.000 0.822 417 A HN 0.505 nan 8.150 nan 0.000 0.447 418 R N -0.853 119.591 120.500 -0.094 0.000 2.081 418 R HA -0.044 4.299 4.340 0.005 0.000 0.235 418 R C 2.468 178.773 176.300 0.008 0.000 1.131 418 R CA 1.254 57.196 56.100 -0.264 0.000 0.960 418 R CB -0.428 29.704 30.300 -0.280 0.000 0.856 418 R HN 0.524 nan 8.270 nan 0.000 0.436 419 A N 0.684 123.556 122.820 0.087 0.000 1.968 419 A HA -0.155 4.168 4.320 0.005 0.000 0.217 419 A C 1.849 179.506 177.584 0.123 0.000 1.169 419 A CA 0.614 52.714 52.037 0.105 0.000 0.638 419 A CB -0.783 18.329 19.000 0.187 0.000 0.812 419 A HN 0.597 nan 8.150 nan 0.000 0.446 420 W N -0.317 120.960 121.300 -0.039 0.000 2.358 420 W HA -0.232 4.431 4.660 0.005 0.000 0.303 420 W C 1.811 178.383 176.519 0.087 0.000 1.208 420 W CA 1.780 59.096 57.345 -0.047 0.000 1.274 420 W CB -0.451 28.829 29.460 -0.300 0.000 1.138 420 W HN 0.403 nan 8.180 nan 0.000 0.515 421 F N 2.086 122.087 119.950 0.086 0.000 2.102 421 F HA -0.202 4.327 4.527 0.004 0.000 0.298 421 F C 2.673 178.488 175.800 0.026 0.000 1.105 421 F CA 2.837 60.902 58.000 0.108 0.000 1.239 421 F CB -0.861 38.275 39.000 0.227 0.000 0.991 421 F HN -0.228 nan 8.300 nan 0.000 0.474 422 K N 0.302 120.611 120.400 -0.152 0.000 2.009 422 K HA -0.251 4.072 4.320 0.005 0.000 0.210 422 K C 2.213 178.380 176.600 -0.722 0.000 1.049 422 K CA 1.918 57.741 56.287 -0.773 0.000 0.929 422 K CB -0.740 31.232 32.500 -0.881 0.000 0.714 422 K HN 0.370 nan 8.250 nan 0.000 0.440 423 L N 1.438 122.397 121.223 -0.440 0.000 2.021 423 L HA -0.208 4.135 4.340 0.005 0.000 0.215 423 L C 2.195 178.791 176.870 -0.456 0.000 1.074 423 L CA 2.815 57.445 54.840 -0.350 0.000 0.760 423 L CB -1.071 40.874 42.059 -0.190 0.000 0.889 423 L HN 0.499 nan 8.230 nan 0.000 0.433 424 T N -5.207 109.013 114.554 -0.557 0.000 3.100 424 T HA 0.016 4.369 4.350 0.005 0.000 0.253 424 T C 1.013 175.274 174.700 -0.731 0.000 1.118 424 T CA 0.993 62.727 62.100 -0.609 0.000 1.058 424 T CB -0.507 67.937 68.868 -0.707 0.000 0.953 424 T HN 0.573 nan 8.240 nan 0.000 0.515 425 H N -0.946 117.745 119.070 -0.632 0.000 3.058 425 H HA 0.491 5.050 4.556 0.005 0.000 0.266 425 H C 1.900 177.022 175.328 -0.344 0.000 1.135 425 H CA -0.454 55.267 56.048 -0.545 0.000 1.174 425 H CB 0.375 29.669 29.762 -0.781 0.000 1.581 425 H HN 0.061 nan 8.280 nan 0.000 0.553 426 R N 1.629 121.847 120.500 -0.471 0.000 2.105 426 R HA -0.105 4.238 4.340 0.005 0.000 0.239 426 R C 0.813 176.911 176.300 -0.337 0.000 1.135 426 R CA 1.988 57.776 56.100 -0.519 0.000 0.967 426 R CB -0.143 29.650 30.300 -0.845 0.000 0.861 426 R HN 0.465 nan 8.270 nan 0.000 0.442 427 D N -1.542 118.621 120.400 -0.395 0.000 2.340 427 D HA -0.031 4.612 4.640 0.005 0.000 0.217 427 D C 1.270 177.497 176.300 -0.121 0.000 1.081 427 D CA 0.126 53.988 54.000 -0.230 0.000 0.842 427 D CB -0.109 40.563 40.800 -0.215 0.000 0.934 427 D HN 0.293 nan 8.370 nan 0.000 0.511 428 M N 0.314 119.860 119.600 -0.090 0.000 2.506 428 M HA 0.168 4.651 4.480 0.005 0.000 0.260 428 M C 1.085 177.368 176.300 -0.028 0.000 1.104 428 M CA 0.931 56.199 55.300 -0.054 0.000 1.112 428 M CB 0.012 32.594 32.600 -0.029 0.000 1.401 428 M HN 0.301 nan 8.290 nan 0.000 0.473 429 G N 0.796 109.602 108.800 0.009 0.000 2.584 429 G HA2 -0.181 3.782 3.960 0.005 0.000 0.229 429 G HA3 -0.181 3.782 3.960 0.005 0.000 0.229 429 G C -2.860 171.992 174.900 -0.080 0.000 1.320 429 G CA -1.191 43.874 45.100 -0.059 0.000 0.891 429 G HN 0.160 nan 8.290 nan 0.000 0.573 430 P HA 0.283 nan 4.420 nan 0.000 0.268 430 P C 1.041 178.123 177.300 -0.364 0.000 1.208 430 P CA -0.123 62.873 63.100 -0.174 0.000 0.777 430 P CB 0.339 32.028 31.700 -0.019 0.000 0.875 431 R N 2.114 122.297 120.500 -0.528 0.000 2.139 431 R HA -0.194 4.149 4.340 0.005 0.000 0.243 431 R C 2.006 178.048 176.300 -0.431 0.000 1.145 431 R CA 1.744 57.330 56.100 -0.856 0.000 0.976 431 R CB -0.882 29.057 30.300 -0.603 0.000 0.866 431 R HN 0.541 nan 8.270 nan 0.000 0.449 432 A N 1.241 123.935 122.820 -0.210 0.000 2.032 432 A HA -0.198 4.125 4.320 0.005 0.000 0.221 432 A C 1.837 179.405 177.584 -0.027 0.000 1.165 432 A CA 1.303 53.298 52.037 -0.070 0.000 0.645 432 A CB -0.351 18.656 19.000 0.011 0.000 0.807 432 A HN 0.297 nan 8.150 nan 0.000 0.453 433 R N -1.950 118.505 120.500 -0.075 0.000 2.275 433 R HA 0.040 4.383 4.340 0.005 0.000 0.199 433 R C -0.476 175.902 176.300 0.131 0.000 0.989 433 R CA -0.038 56.048 56.100 -0.024 0.000 1.016 433 R CB -0.077 30.109 30.300 -0.189 0.000 0.918 433 R HN 0.472 nan 8.270 nan 0.000 0.473 434 Y N 1.664 121.915 120.300 -0.082 0.000 2.436 434 Y HA 0.186 4.740 4.550 0.006 0.000 0.336 434 Y C 0.576 176.451 175.900 -0.042 0.000 1.049 434 Y CA -0.773 57.289 58.100 -0.065 0.000 1.294 434 Y CB 0.222 38.669 38.460 -0.021 0.000 1.179 434 Y HN -0.114 nan 8.280 nan 0.000 0.520 435 L N 2.508 123.759 121.223 0.047 0.000 2.330 435 L HA 0.874 5.217 4.340 0.005 0.000 0.271 435 L C 0.640 177.661 176.870 0.250 0.000 1.013 435 L CA -0.823 54.088 54.840 0.120 0.000 0.816 435 L CB 1.740 43.857 42.059 0.097 0.000 1.287 435 L HN 0.797 nan 8.230 nan 0.000 0.435 436 G N 1.911 110.887 108.800 0.293 0.000 2.631 436 G HA2 -0.125 3.838 3.960 0.005 0.000 0.504 436 G HA3 -0.125 3.838 3.960 0.005 0.000 0.504 436 G C -2.396 172.602 174.900 0.164 0.000 1.306 436 G CA -0.283 44.991 45.100 0.291 0.000 0.897 436 G HN 0.547 nan 8.290 nan 0.000 0.520 437 P HA 0.182 nan 4.420 nan 0.000 0.249 437 P C 0.569 177.912 177.300 0.070 0.000 1.229 437 P CA 0.889 64.031 63.100 0.070 0.000 0.788 437 P CB 0.314 32.035 31.700 0.034 0.000 1.072 438 E N -0.212 120.065 120.200 0.127 0.000 2.558 438 E HA 0.146 4.499 4.350 0.005 0.000 0.205 438 E C -0.169 176.462 176.600 0.052 0.000 1.006 438 E CA -0.263 56.197 56.400 0.101 0.000 0.961 438 E CB 0.900 30.724 29.700 0.206 0.000 1.044 438 E HN 0.028 nan 8.360 nan 0.000 0.465 439 V N 3.930 123.872 119.914 0.047 0.000 2.521 439 V HA 0.056 4.179 4.120 0.005 0.000 0.286 439 V C -1.988 174.052 176.094 -0.089 0.000 1.034 439 V CA -1.261 61.058 62.300 0.033 0.000 1.045 439 V CB -0.029 31.868 31.823 0.123 0.000 0.974 439 V HN 0.089 nan 8.190 nan 0.000 0.480 440 P HA 0.160 nan 4.420 nan 0.000 0.267 440 P C 0.513 177.691 177.300 -0.202 0.000 1.205 440 P CA -0.041 62.824 63.100 -0.391 0.000 0.765 440 P CB 0.912 32.185 31.700 -0.712 0.000 0.828 441 A N 2.965 125.666 122.820 -0.198 0.000 1.968 441 A HA -0.127 4.196 4.320 0.005 0.000 0.217 441 A C 1.069 178.594 177.584 -0.098 0.000 1.169 441 A CA 0.724 52.689 52.037 -0.121 0.000 0.638 441 A CB -0.736 18.198 19.000 -0.110 0.000 0.812 441 A HN 0.641 nan 8.150 nan 0.000 0.446 442 E N 0.508 120.644 120.200 -0.106 0.000 2.415 442 E HA 0.280 4.633 4.350 0.005 0.000 0.263 442 E C -1.079 175.510 176.600 -0.018 0.000 0.995 442 E CA -0.292 56.093 56.400 -0.025 0.000 0.915 442 E CB 0.567 30.313 29.700 0.076 0.000 0.951 442 E HN 0.135 nan 8.360 nan 0.000 0.449 443 V N 6.449 126.336 119.914 -0.045 0.000 2.465 443 V HA 0.236 4.359 4.120 0.005 0.000 0.279 443 V C 0.180 176.206 176.094 -0.113 0.000 1.045 443 V CA -0.332 61.907 62.300 -0.101 0.000 0.938 443 V CB 0.898 32.661 31.823 -0.101 0.000 0.986 443 V HN 0.548 nan 8.190 nan 0.000 0.467 444 L N 4.463 125.538 121.223 -0.247 0.000 2.334 444 L HA 0.404 4.747 4.340 0.005 0.000 0.276 444 L C 0.890 177.539 176.870 -0.367 0.000 1.014 444 L CA -0.664 53.991 54.840 -0.308 0.000 0.815 444 L CB 1.616 43.364 42.059 -0.519 0.000 1.268 444 L HN 0.480 nan 8.230 nan 0.000 0.428 445 L N 3.065 124.200 121.223 -0.147 0.000 2.079 445 L HA -0.166 4.177 4.340 0.005 0.000 0.210 445 L C 2.034 178.898 176.870 -0.010 0.000 1.081 445 L CA 1.878 56.693 54.840 -0.042 0.000 0.752 445 L CB -0.559 41.536 42.059 0.061 0.000 0.896 445 L HN 0.786 nan 8.230 nan 0.000 0.433 446 W N -1.177 120.158 121.300 0.059 0.000 2.699 446 W HA -0.080 4.583 4.660 0.004 0.000 0.249 446 W C 1.357 177.903 176.519 0.045 0.000 1.280 446 W CA 0.202 57.580 57.345 0.056 0.000 1.345 446 W CB -1.109 28.386 29.460 0.057 0.000 1.128 446 W HN 0.322 nan 8.180 nan 0.000 0.642 447 Q N 1.069 120.616 119.800 -0.422 0.000 2.482 447 Q HA -0.072 4.271 4.340 0.005 0.000 0.209 447 Q C -0.302 175.624 176.000 -0.124 0.000 0.961 447 Q CA 0.608 56.203 55.803 -0.347 0.000 0.945 447 Q CB -0.450 27.916 28.738 -0.619 0.000 1.012 447 Q HN 0.069 nan 8.270 nan 0.000 0.515 448 D N 1.351 121.724 120.400 -0.045 0.000 2.802 448 D HA -0.134 4.509 4.640 0.005 0.000 0.229 448 D C -2.408 173.862 176.300 -0.050 0.000 1.203 448 D CA 0.523 54.516 54.000 -0.012 0.000 0.712 448 D CB -0.665 40.156 40.800 0.034 0.000 0.973 448 D HN 0.304 nan 8.370 nan 0.000 0.407 449 P HA 0.205 nan 4.420 nan 0.000 0.272 449 P C 0.331 177.596 177.300 -0.059 0.000 1.223 449 P CA -0.170 62.872 63.100 -0.096 0.000 0.784 449 P CB 0.949 32.581 31.700 -0.115 0.000 0.923 450 I N 3.195 123.729 120.570 -0.059 0.000 2.436 450 I HA 0.277 4.450 4.170 0.005 0.000 0.289 450 I C -2.044 174.048 176.117 -0.042 0.000 1.010 450 I CA -2.600 58.676 61.300 -0.039 0.000 1.098 450 I CB 1.634 39.617 38.000 -0.028 0.000 1.266 450 I HN 0.166 nan 8.210 nan 0.000 0.434 451 P HA 0.086 nan 4.420 nan 0.000 0.267 451 P C -0.381 176.902 177.300 -0.029 0.000 1.200 451 P CA -0.289 62.797 63.100 -0.024 0.000 0.772 451 P CB 0.495 32.192 31.700 -0.004 0.000 0.855 452 A N 2.834 125.633 122.820 -0.034 0.000 2.511 452 A HA 0.174 4.497 4.320 0.005 0.000 0.242 452 A C 0.186 177.742 177.584 -0.047 0.000 1.069 452 A CA -0.288 51.722 52.037 -0.044 0.000 0.763 452 A CB -0.216 18.758 19.000 -0.042 0.000 1.001 452 A HN 0.410 nan 8.150 nan 0.000 0.498 453 V N 3.306 123.166 119.914 -0.089 0.000 2.521 453 V HA 0.141 4.264 4.120 0.005 0.000 0.286 453 V C 0.477 176.471 176.094 -0.166 0.000 1.034 453 V CA 0.697 62.889 62.300 -0.179 0.000 1.045 453 V CB 0.952 32.617 31.823 -0.263 0.000 0.974 453 V HN 1.015 nan 8.190 nan 0.000 0.480 454 D N 2.374 122.693 120.400 -0.136 0.000 2.571 454 D HA 0.147 4.790 4.640 0.005 0.000 0.239 454 D C 0.022 176.337 176.300 0.025 0.000 1.267 454 D CA -0.248 53.731 54.000 -0.034 0.000 0.823 454 D CB 0.002 40.824 40.800 0.036 0.000 1.056 454 D HN 0.801 nan 8.370 nan 0.000 0.494 455 H N -2.865 116.210 119.070 0.009 0.000 2.980 455 H HA 0.730 5.290 4.556 0.005 0.000 0.367 455 H C -3.060 172.280 175.328 0.021 0.000 1.206 455 H CA -2.032 54.025 56.048 0.016 0.000 1.126 455 H CB 0.049 29.825 29.762 0.024 0.000 1.838 455 H HN -0.336 nan 8.280 nan 0.000 0.552 456 P HA 0.065 nan 4.420 nan 0.000 0.266 456 P C -0.384 177.047 177.300 0.219 0.000 1.195 456 P CA -0.093 63.080 63.100 0.122 0.000 0.768 456 P CB 0.633 32.399 31.700 0.110 0.000 0.838 457 L N 3.004 124.297 121.223 0.116 0.000 2.399 457 L HA 0.402 4.745 4.340 0.005 0.000 0.265 457 L C 1.061 178.027 176.870 0.159 0.000 1.089 457 L CA -1.238 53.688 54.840 0.143 0.000 0.802 457 L CB 0.394 42.485 42.059 0.052 0.000 1.180 457 L HN 0.379 nan 8.230 nan 0.000 0.454 458 I N -1.047 119.633 120.570 0.183 0.000 2.815 458 I HA 0.061 4.234 4.170 0.005 0.000 0.291 458 I C -0.144 176.054 176.117 0.135 0.000 1.209 458 I CA -0.496 60.907 61.300 0.171 0.000 1.431 458 I CB 0.196 38.265 38.000 0.114 0.000 1.351 458 I HN 0.580 nan 8.210 nan 0.000 0.585 459 D N 4.354 124.829 120.400 0.125 0.000 2.549 459 D HA 0.514 5.157 4.640 0.005 0.000 0.270 459 D C 0.964 177.322 176.300 0.096 0.000 1.181 459 D CA -0.302 53.756 54.000 0.097 0.000 1.070 459 D CB 0.963 41.811 40.800 0.079 0.000 1.154 459 D HN 0.602 nan 8.370 nan 0.000 0.602 460 A N -0.224 122.644 122.820 0.079 0.000 1.940 460 A HA 0.026 4.349 4.320 0.005 0.000 0.219 460 A C 2.145 179.765 177.584 0.060 0.000 1.176 460 A CA 2.434 54.515 52.037 0.073 0.000 0.631 460 A CB -1.440 17.595 19.000 0.059 0.000 0.814 460 A HN 0.667 nan 8.150 nan 0.000 0.446 461 A N 0.290 123.148 122.820 0.063 0.000 1.883 461 A HA -0.213 4.110 4.320 0.005 0.000 0.217 461 A C 1.777 179.408 177.584 0.077 0.000 1.186 461 A CA 1.887 53.962 52.037 0.063 0.000 0.624 461 A CB -0.626 18.413 19.000 0.065 0.000 0.822 461 A HN 0.488 nan 8.150 nan 0.000 0.444 462 D N 0.137 120.601 120.400 0.107 0.000 2.144 462 D HA -0.066 4.577 4.640 0.005 0.000 0.199 462 D C 2.201 178.486 176.300 -0.025 0.000 0.984 462 D CA 1.496 55.575 54.000 0.133 0.000 0.834 462 D CB -0.483 40.444 40.800 0.212 0.000 0.955 462 D HN 0.446 nan 8.370 nan 0.000 0.465 463 A N 1.220 124.025 122.820 -0.026 0.000 1.902 463 A HA -0.037 4.286 4.320 0.005 0.000 0.217 463 A C 2.350 179.880 177.584 -0.089 0.000 1.181 463 A CA 2.127 54.104 52.037 -0.099 0.000 0.623 463 A CB -0.652 18.336 19.000 -0.020 0.000 0.818 463 A HN 0.239 nan 8.150 nan 0.000 0.443 464 A N -0.414 122.391 122.820 -0.025 0.000 1.902 464 A HA -0.199 4.124 4.320 0.005 0.000 0.217 464 A C 2.064 179.638 177.584 -0.017 0.000 1.181 464 A CA 1.800 53.828 52.037 -0.015 0.000 0.623 464 A CB -0.554 18.454 19.000 0.012 0.000 0.818 464 A HN 0.660 nan 8.150 nan 0.000 0.443 465 E N -0.223 119.981 120.200 0.006 0.000 2.051 465 E HA -0.172 4.181 4.350 0.005 0.000 0.192 465 E C 1.978 178.569 176.600 -0.014 0.000 0.991 465 E CA 1.223 57.641 56.400 0.030 0.000 0.799 465 E CB -0.196 29.574 29.700 0.116 0.000 0.748 465 E HN 0.624 nan 8.360 nan 0.000 0.449 466 L N 0.554 121.715 121.223 -0.103 0.000 2.093 466 L HA -0.171 4.172 4.340 0.005 0.000 0.208 466 L C 2.618 179.410 176.870 -0.130 0.000 1.085 466 L CA 1.181 55.916 54.840 -0.174 0.000 0.755 466 L CB -0.226 41.619 42.059 -0.357 0.000 0.904 466 L HN 0.046 nan 8.230 nan 0.000 0.435 467 K N -0.081 120.244 120.400 -0.124 0.000 2.097 467 K HA -0.133 4.190 4.320 0.005 0.000 0.206 467 K C 2.243 178.810 176.600 -0.055 0.000 1.049 467 K CA 1.279 57.508 56.287 -0.097 0.000 0.933 467 K CB -0.243 32.203 32.500 -0.090 0.000 0.717 467 K HN 0.282 nan 8.250 nan 0.000 0.442 468 A N 2.036 124.833 122.820 -0.037 0.000 1.902 468 A HA -0.208 4.115 4.320 0.005 0.000 0.217 468 A C 1.898 179.473 177.584 -0.013 0.000 1.181 468 A CA 1.576 53.602 52.037 -0.017 0.000 0.623 468 A CB -0.300 18.698 19.000 -0.003 0.000 0.818 468 A HN 0.201 nan 8.150 nan 0.000 0.443 469 K N -0.487 119.905 120.400 -0.013 0.000 2.097 469 K HA -0.055 4.268 4.320 0.005 0.000 0.206 469 K C 1.870 178.461 176.600 -0.016 0.000 1.049 469 K CA 1.297 57.581 56.287 -0.006 0.000 0.933 469 K CB -0.365 32.141 32.500 0.009 0.000 0.717 469 K HN 0.303 nan 8.250 nan 0.000 0.442 470 V N 1.972 121.866 119.914 -0.033 0.000 2.295 470 V HA -0.244 3.879 4.120 0.005 0.000 0.246 470 V C 2.208 178.289 176.094 -0.022 0.000 1.049 470 V CA 1.662 63.942 62.300 -0.033 0.000 1.024 470 V CB -0.386 31.407 31.823 -0.051 0.000 0.648 470 V HN 0.273 nan 8.190 nan 0.000 0.447 471 L N 0.051 121.261 121.223 -0.023 0.000 2.093 471 L HA -0.104 4.239 4.340 0.005 0.000 0.208 471 L C 2.641 179.506 176.870 -0.010 0.000 1.085 471 L CA 1.437 56.267 54.840 -0.016 0.000 0.755 471 L CB -0.789 41.259 42.059 -0.018 0.000 0.904 471 L HN 0.354 nan 8.230 nan 0.000 0.435 472 A N 0.103 122.918 122.820 -0.007 0.000 2.067 472 A HA -0.168 4.155 4.320 0.005 0.000 0.219 472 A C 2.484 180.067 177.584 -0.001 0.000 1.158 472 A CA 1.560 53.595 52.037 -0.002 0.000 0.661 472 A CB -0.529 18.472 19.000 0.001 0.000 0.801 472 A HN 0.522 nan 8.150 nan 0.000 0.452 473 S N -1.767 113.932 115.700 -0.002 0.000 2.447 473 S HA 0.265 4.738 4.470 0.005 0.000 0.233 473 S C 1.623 176.223 174.600 0.000 0.000 1.006 473 S CA 1.364 59.564 58.200 -0.000 0.000 0.957 473 S CB -0.423 62.776 63.200 -0.002 0.000 0.773 473 S HN 1.882 nan 8.310 nan 0.000 0.507 474 G N 0.593 109.393 108.800 -0.001 0.000 2.194 474 G HA2 -0.217 3.745 3.960 0.005 0.000 0.236 474 G HA3 -0.217 3.745 3.960 0.005 0.000 0.236 474 G C 0.013 174.913 174.900 0.000 0.000 0.987 474 G CA 0.015 45.115 45.100 -0.000 0.000 0.635 474 G HN 0.545 nan 8.290 nan 0.000 0.520 475 L N 2.381 123.604 121.223 -0.000 0.000 2.559 475 L HA 0.359 4.702 4.340 0.005 0.000 0.282 475 L C 1.666 178.536 176.870 -0.001 0.000 1.232 475 L CA 0.819 55.660 54.840 0.002 0.000 0.885 475 L CB 0.376 42.437 42.059 0.003 0.000 1.131 475 L HN 0.480 nan 8.230 nan 0.000 0.498 476 T N -0.643 113.912 114.554 0.001 0.000 2.874 476 T HA 0.254 4.607 4.350 0.005 0.000 0.281 476 T C 1.300 175.994 174.700 -0.010 0.000 0.994 476 T CA -0.976 61.121 62.100 -0.005 0.000 1.015 476 T CB 1.545 70.411 68.868 -0.002 0.000 1.028 476 T HN 0.242 nan 8.240 nan 0.000 0.523 477 V N 1.500 121.399 119.914 -0.024 0.000 2.278 477 V HA -0.206 3.916 4.120 0.005 0.000 0.251 477 V C 3.051 179.125 176.094 -0.035 0.000 1.062 477 V CA 2.603 64.877 62.300 -0.043 0.000 1.038 477 V CB -1.191 30.594 31.823 -0.063 0.000 0.646 477 V HN 1.117 nan 8.190 nan 0.000 0.447 478 S N -1.133 114.554 115.700 -0.022 0.000 2.368 478 S HA -0.280 4.193 4.470 0.005 0.000 0.225 478 S C 2.017 176.631 174.600 0.024 0.000 1.030 478 S CA 2.034 60.230 58.200 -0.007 0.000 0.999 478 S CB -0.237 62.959 63.200 -0.007 0.000 0.844 478 S HN 0.712 nan 8.310 nan 0.000 0.459 479 Q N 0.219 120.033 119.800 0.025 0.000 2.050 479 Q HA -0.020 4.323 4.340 0.005 0.000 0.202 479 Q C 2.356 178.393 176.000 0.061 0.000 0.980 479 Q CA 1.741 57.568 55.803 0.041 0.000 0.840 479 Q CB -0.303 28.452 28.738 0.028 0.000 0.898 479 Q HN 0.534 nan 8.270 nan 0.000 0.424 480 L N -0.327 120.925 121.223 0.048 0.000 2.027 480 L HA -0.169 4.174 4.340 0.005 0.000 0.206 480 L C 2.359 179.313 176.870 0.140 0.000 1.074 480 L CA 0.742 55.624 54.840 0.069 0.000 0.745 480 L CB -0.450 41.627 42.059 0.030 0.000 0.898 480 L HN 0.092 nan 8.230 nan 0.000 0.433 481 V N -0.899 119.075 119.914 0.101 0.000 2.307 481 V HA -0.258 3.865 4.120 0.005 0.000 0.245 481 V C 2.591 178.893 176.094 0.346 0.000 1.045 481 V CA 1.996 64.394 62.300 0.164 0.000 1.024 481 V CB -0.396 31.394 31.823 -0.056 0.000 0.651 481 V HN 0.365 nan 8.190 nan 0.000 0.449 482 S N -0.069 115.763 115.700 0.221 0.000 2.359 482 S HA -0.234 4.239 4.470 0.005 0.000 0.224 482 S C 2.072 176.837 174.600 0.275 0.000 1.035 482 S CA 2.161 60.509 58.200 0.247 0.000 1.018 482 S CB -0.491 62.795 63.200 0.144 0.000 0.876 482 S HN 0.705 nan 8.310 nan 0.000 0.448 483 T N 2.213 116.888 114.554 0.203 0.000 2.737 483 T HA 0.030 4.383 4.350 0.005 0.000 0.265 483 T C 2.179 176.977 174.700 0.164 0.000 1.038 483 T CA 1.162 63.352 62.100 0.151 0.000 1.144 483 T CB -0.513 68.415 68.868 0.100 0.000 0.866 483 T HN 0.455 nan 8.240 nan 0.000 0.434 484 A N 1.448 124.413 122.820 0.241 0.000 1.902 484 A HA -0.107 4.216 4.320 0.005 0.000 0.217 484 A C 2.153 179.821 177.584 0.139 0.000 1.181 484 A CA 1.269 53.435 52.037 0.214 0.000 0.623 484 A CB -1.139 18.100 19.000 0.399 0.000 0.818 484 A HN 0.741 nan 8.150 nan 0.000 0.443 485 W N 0.863 122.253 121.300 0.150 0.000 2.335 485 W HA -0.257 4.405 4.660 0.004 0.000 0.311 485 W C 2.312 178.847 176.519 0.027 0.000 1.213 485 W CA 2.321 59.697 57.345 0.051 0.000 1.274 485 W CB -0.408 29.175 29.460 0.206 0.000 1.148 485 W HN 0.435 nan 8.180 nan 0.000 0.498 486 A N 1.033 123.898 122.820 0.074 0.000 1.892 486 A HA -0.175 4.148 4.320 0.005 0.000 0.218 486 A C 2.171 179.695 177.584 -0.099 0.000 1.188 486 A CA 3.119 55.154 52.037 -0.003 0.000 0.631 486 A CB -1.387 17.674 19.000 0.102 0.000 0.822 486 A HN 0.378 nan 8.150 nan 0.000 0.447 487 A N -0.589 122.181 122.820 -0.084 0.000 1.873 487 A HA 0.245 4.568 4.320 0.005 0.000 0.215 487 A C 2.494 179.981 177.584 -0.161 0.000 1.186 487 A CA 2.056 54.038 52.037 -0.093 0.000 0.616 487 A CB -0.946 18.020 19.000 -0.056 0.000 0.823 487 A HN 1.070 nan 8.150 nan 0.000 0.442 488 A N -0.051 122.606 122.820 -0.272 0.000 1.930 488 A HA 0.048 4.371 4.320 0.005 0.000 0.215 488 A C 2.264 179.602 177.584 -0.411 0.000 1.176 488 A CA 1.765 53.596 52.037 -0.342 0.000 0.632 488 A CB -0.695 18.038 19.000 -0.444 0.000 0.819 488 A HN 0.981 nan 8.150 nan 0.000 0.445 489 S N -0.051 115.246 115.700 -0.672 0.000 2.650 489 S HA -0.037 4.436 4.470 0.005 0.000 0.219 489 S C 1.416 175.814 174.600 -0.336 0.000 0.960 489 S CA 1.070 58.798 58.200 -0.786 0.000 0.925 489 S CB -1.017 61.133 63.200 -1.751 0.000 0.775 489 S HN 0.661 nan 8.310 nan 0.000 0.525 490 T N -1.571 112.889 114.554 -0.157 0.000 3.085 490 T HA 0.168 4.521 4.350 0.005 0.000 0.263 490 T C 0.305 175.016 174.700 0.019 0.000 1.127 490 T CA -0.374 61.725 62.100 -0.001 0.000 1.103 490 T CB -0.794 68.136 68.868 0.104 0.000 0.921 490 T HN 0.383 nan 8.240 nan 0.000 0.510 491 F N 4.340 124.219 119.950 -0.119 0.000 2.572 491 F HA 0.298 4.827 4.527 0.004 0.000 0.370 491 F C 0.729 176.499 175.800 -0.049 0.000 1.103 491 F CA -0.924 57.032 58.000 -0.073 0.000 1.286 491 F CB 0.570 39.504 39.000 -0.110 0.000 1.105 491 F HN 0.189 nan 8.300 nan 0.000 0.583 492 R N 4.218 124.180 120.500 -0.897 0.000 2.575 492 R HA 0.492 4.835 4.340 0.005 0.000 0.293 492 R C 0.228 175.997 176.300 -0.884 0.000 0.983 492 R CA -0.470 55.263 56.100 -0.612 0.000 0.887 492 R CB 1.204 31.331 30.300 -0.288 0.000 1.184 492 R HN 0.756 nan 8.270 nan 0.000 0.445 493 G N 1.120 109.721 108.800 -0.332 0.000 2.598 493 G HA2 -0.214 3.749 3.960 0.005 0.000 0.215 493 G HA3 -0.214 3.749 3.960 0.005 0.000 0.215 493 G C 1.187 176.047 174.900 -0.068 0.000 1.131 493 G CA 0.618 45.687 45.100 -0.051 0.000 0.785 493 G HN 0.755 nan 8.290 nan 0.000 0.539 494 S N 1.580 117.215 115.700 -0.109 0.000 2.359 494 S HA -0.161 4.312 4.470 0.005 0.000 0.224 494 S C 1.613 176.195 174.600 -0.030 0.000 1.035 494 S CA 1.762 59.922 58.200 -0.066 0.000 1.018 494 S CB -0.150 63.002 63.200 -0.080 0.000 0.876 494 S HN 0.478 nan 8.310 nan 0.000 0.448 495 D N -0.496 119.876 120.400 -0.046 0.000 2.527 495 D HA 0.211 4.854 4.640 0.005 0.000 0.224 495 D C 0.100 176.358 176.300 -0.069 0.000 1.217 495 D CA -0.266 53.733 54.000 -0.001 0.000 0.819 495 D CB -0.468 40.432 40.800 0.166 0.000 1.061 495 D HN 0.418 nan 8.370 nan 0.000 0.515 496 K N -0.043 120.243 120.400 -0.189 0.000 3.160 496 K HA -0.206 4.117 4.320 0.005 0.000 0.280 496 K C -0.107 176.448 176.600 -0.076 0.000 1.154 496 K CA 0.606 56.810 56.287 -0.139 0.000 0.822 496 K CB -1.241 31.284 32.500 0.041 0.000 1.239 496 K HN 0.295 nan 8.250 nan 0.000 0.489 497 R N 0.242 120.630 120.500 -0.187 0.000 2.543 497 R HA 0.555 4.898 4.340 0.005 0.000 0.268 497 R C 0.950 177.201 176.300 -0.081 0.000 1.067 497 R CA 0.171 56.242 56.100 -0.050 0.000 1.142 497 R CB 1.112 31.416 30.300 0.006 0.000 1.110 497 R HN 0.313 nan 8.270 nan 0.000 0.549 498 G N -0.341 108.499 108.800 0.067 0.000 2.760 498 G HA2 0.186 4.149 3.960 0.005 0.000 0.246 498 G HA3 0.186 4.149 3.960 0.005 0.000 0.246 498 G C 0.005 175.057 174.900 0.254 0.000 1.359 498 G CA -0.442 44.726 45.100 0.113 0.000 0.861 498 G HN 1.140 nan 8.290 nan 0.000 0.541 499 G N -2.656 106.245 108.800 0.168 0.000 2.498 499 G HA2 0.480 4.443 3.960 0.005 0.000 0.651 499 G HA3 0.480 4.443 3.960 0.005 0.000 0.651 499 G C 0.939 175.832 174.900 -0.011 0.000 1.284 499 G CA 1.037 46.186 45.100 0.082 0.000 0.950 499 G HN 2.446 nan 8.290 nan 0.000 0.511 500 A N -0.348 122.425 122.820 -0.078 0.000 2.123 500 A HA 0.298 4.621 4.320 0.005 0.000 0.214 500 A C 1.268 178.824 177.584 -0.046 0.000 1.152 500 A CA 1.556 53.548 52.037 -0.075 0.000 0.728 500 A CB -0.313 18.624 19.000 -0.104 0.000 0.814 500 A HN 1.093 nan 8.150 nan 0.000 0.464 501 N N -0.139 118.536 118.700 -0.042 0.000 2.458 501 N HA 0.327 5.069 4.740 0.005 0.000 0.258 501 N C 1.115 176.619 175.510 -0.010 0.000 1.219 501 N CA 1.551 54.586 53.050 -0.026 0.000 0.902 501 N CB 0.647 39.119 38.487 -0.026 0.000 1.076 501 N HN 0.569 nan 8.380 nan 0.000 0.455 502 G N 2.129 110.924 108.800 -0.010 0.000 2.232 502 G HA2 -0.142 3.821 3.960 0.005 0.000 0.226 502 G HA3 -0.142 3.821 3.960 0.005 0.000 0.226 502 G C 0.409 175.299 174.900 -0.016 0.000 0.996 502 G CA 0.334 45.428 45.100 -0.010 0.000 0.626 502 G HN 1.610 nan 8.290 nan 0.000 0.509 503 A N -0.495 122.314 122.820 -0.019 0.000 2.596 503 A HA -0.261 4.062 4.320 0.005 0.000 0.300 503 A C 1.505 179.062 177.584 -0.045 0.000 1.495 503 A CA 2.258 54.280 52.037 -0.026 0.000 0.769 503 A CB -1.567 17.424 19.000 -0.014 0.000 1.047 503 A HN 0.990 nan 8.150 nan 0.000 0.436 504 R N -0.724 119.742 120.500 -0.057 0.000 2.307 504 R HA 0.145 4.488 4.340 0.005 0.000 0.199 504 R C 1.915 178.129 176.300 -0.142 0.000 1.000 504 R CA 0.945 56.993 56.100 -0.086 0.000 1.023 504 R CB -0.160 30.096 30.300 -0.074 0.000 0.908 504 R HN 0.813 nan 8.270 nan 0.000 0.473 505 I N 2.010 122.505 120.570 -0.126 0.000 2.454 505 I HA -0.286 3.887 4.170 0.005 0.000 0.254 505 I C 2.379 178.417 176.117 -0.132 0.000 1.156 505 I CA 1.289 62.500 61.300 -0.148 0.000 1.433 505 I CB 0.013 37.961 38.000 -0.087 0.000 1.082 505 I HN 0.137 nan 8.210 nan 0.000 0.432 506 R N 0.378 120.821 120.500 -0.094 0.000 2.299 506 R HA 0.096 4.439 4.340 0.005 0.000 0.197 506 R C 0.373 176.622 176.300 -0.085 0.000 0.971 506 R CA 0.131 56.187 56.100 -0.074 0.000 1.030 506 R CB -0.161 30.111 30.300 -0.046 0.000 0.932 506 R HN 0.284 nan 8.270 nan 0.000 0.477 507 L N 0.924 122.079 121.223 -0.112 0.000 2.365 507 L HA 0.548 4.891 4.340 0.005 0.000 0.267 507 L C 0.248 177.027 176.870 -0.151 0.000 1.033 507 L CA -1.339 53.438 54.840 -0.104 0.000 0.802 507 L CB 1.355 43.361 42.059 -0.087 0.000 1.267 507 L HN 0.021 nan 8.230 nan 0.000 0.457 508 A N 1.668 124.419 122.820 -0.115 0.000 2.462 508 A HA 0.307 4.630 4.320 0.005 0.000 0.243 508 A C -1.762 175.732 177.584 -0.150 0.000 1.076 508 A CA -0.749 51.212 52.037 -0.127 0.000 0.773 508 A CB -0.195 18.770 19.000 -0.058 0.000 1.010 508 A HN 0.614 nan 8.150 nan 0.000 0.493 509 P HA 0.009 nan 4.420 nan 0.000 0.257 509 P C 0.740 177.563 177.300 -0.795 0.000 1.241 509 P CA 0.421 63.357 63.100 -0.274 0.000 0.816 509 P CB 0.360 32.051 31.700 -0.015 0.000 1.150 510 Q N 1.382 120.572 119.800 -1.017 0.000 2.135 510 Q HA -0.177 4.166 4.340 0.005 0.000 0.204 510 Q C 2.089 177.665 176.000 -0.707 0.000 0.981 510 Q CA 1.816 56.757 55.803 -1.436 0.000 0.856 510 Q CB -0.483 27.691 28.738 -0.941 0.000 0.902 510 Q HN 0.465 nan 8.270 nan 0.000 0.425 511 K N 0.126 120.285 120.400 -0.402 0.000 2.362 511 K HA -0.112 4.211 4.320 0.005 0.000 0.200 511 K C 0.552 177.083 176.600 -0.116 0.000 1.046 511 K CA 1.468 57.637 56.287 -0.196 0.000 0.952 511 K CB 0.292 32.713 32.500 -0.133 0.000 0.753 511 K HN 0.078 nan 8.250 nan 0.000 0.466 512 D N -0.363 119.953 120.400 -0.139 0.000 2.407 512 D HA 0.011 4.654 4.640 0.005 0.000 0.208 512 D C -0.271 176.115 176.300 0.142 0.000 1.083 512 D CA -0.065 53.934 54.000 -0.002 0.000 0.844 512 D CB 0.126 40.932 40.800 0.011 0.000 0.967 512 D HN 0.157 nan 8.370 nan 0.000 0.506 513 W N 2.534 123.844 121.300 0.016 0.000 2.210 513 W HA 0.103 4.771 4.660 0.013 0.000 0.330 513 W C 1.818 178.336 176.519 -0.002 0.000 1.334 513 W CA -0.916 56.439 57.345 0.017 0.000 1.227 513 W CB 0.374 29.838 29.460 0.008 0.000 1.178 513 W HN 0.072 nan 8.180 nan 0.000 0.560 514 E N 2.524 122.866 120.200 0.238 0.000 2.085 514 E HA -0.235 4.118 4.350 0.005 0.000 0.194 514 E C 2.032 178.597 176.600 -0.059 0.000 0.994 514 E CA 2.000 58.473 56.400 0.122 0.000 0.801 514 E CB 0.104 29.919 29.700 0.191 0.000 0.743 514 E HN 0.489 nan 8.360 nan 0.000 0.453 515 A N 1.014 123.677 122.820 -0.260 0.000 1.978 515 A HA -0.187 4.136 4.320 0.005 0.000 0.220 515 A C 1.746 179.234 177.584 -0.161 0.000 1.170 515 A CA 1.600 53.262 52.037 -0.625 0.000 0.636 515 A CB -0.460 18.183 19.000 -0.596 0.000 0.810 515 A HN 0.268 nan 8.150 nan 0.000 0.448 516 N N -0.049 118.676 118.700 0.041 0.000 2.461 516 N HA 0.028 4.771 4.740 0.005 0.000 0.188 516 N C -0.493 175.049 175.510 0.053 0.000 1.134 516 N CA 0.444 53.545 53.050 0.085 0.000 0.878 516 N CB -0.208 38.356 38.487 0.128 0.000 0.972 516 N HN 0.583 nan 8.380 nan 0.000 0.456 517 Q N -1.069 118.752 119.800 0.035 0.000 2.453 517 Q HA -0.157 4.186 4.340 0.005 0.000 0.350 517 Q C -1.859 174.165 176.000 0.040 0.000 1.447 517 Q CA -0.222 55.604 55.803 0.038 0.000 0.968 517 Q CB -1.135 27.625 28.738 0.036 0.000 1.175 517 Q HN 0.272 nan 8.270 nan 0.000 0.354 518 P HA -0.259 nan 4.420 nan 0.000 0.218 518 P C 1.118 178.432 177.300 0.024 0.000 1.154 518 P CA 1.395 64.514 63.100 0.031 0.000 0.872 518 P CB 0.189 31.913 31.700 0.039 0.000 0.790 519 E N -0.444 119.773 120.200 0.028 0.000 2.028 519 E HA -0.223 4.130 4.350 0.005 0.000 0.191 519 E C 2.141 178.754 176.600 0.022 0.000 0.988 519 E CA 1.138 57.553 56.400 0.024 0.000 0.799 519 E CB -0.912 28.804 29.700 0.027 0.000 0.755 519 E HN 0.438 nan 8.360 nan 0.000 0.447 520 Q N 0.609 120.425 119.800 0.026 0.000 2.050 520 Q HA -0.177 4.166 4.340 0.005 0.000 0.202 520 Q C 2.352 178.367 176.000 0.026 0.000 0.980 520 Q CA 1.208 57.027 55.803 0.027 0.000 0.840 520 Q CB -0.176 28.581 28.738 0.033 0.000 0.898 520 Q HN 0.174 nan 8.270 nan 0.000 0.424 521 L N 0.921 122.159 121.223 0.026 0.000 2.013 521 L HA -0.193 4.150 4.340 0.005 0.000 0.212 521 L C 2.299 179.175 176.870 0.011 0.000 1.073 521 L CA 2.482 57.335 54.840 0.021 0.000 0.753 521 L CB -1.047 41.021 42.059 0.014 0.000 0.890 521 L HN 0.309 nan 8.230 nan 0.000 0.432 522 A N -0.595 122.230 122.820 0.008 0.000 1.908 522 A HA -0.160 4.163 4.320 0.005 0.000 0.218 522 A C 2.460 180.048 177.584 0.006 0.000 1.181 522 A CA 2.195 54.234 52.037 0.003 0.000 0.627 522 A CB -1.288 17.715 19.000 0.004 0.000 0.818 522 A HN 0.632 nan 8.150 nan 0.000 0.445 523 A N -0.643 122.183 122.820 0.010 0.000 1.902 523 A HA 0.007 4.330 4.320 0.005 0.000 0.217 523 A C 2.247 179.837 177.584 0.011 0.000 1.181 523 A CA 1.830 53.873 52.037 0.011 0.000 0.623 523 A CB -0.954 18.054 19.000 0.013 0.000 0.818 523 A HN 0.414 nan 8.150 nan 0.000 0.443 524 V N 0.279 120.201 119.914 0.014 0.000 2.295 524 V HA -0.263 3.860 4.120 0.005 0.000 0.246 524 V C 2.563 178.663 176.094 0.010 0.000 1.049 524 V CA 1.968 64.278 62.300 0.015 0.000 1.024 524 V CB -0.856 30.982 31.823 0.025 0.000 0.648 524 V HN 0.570 nan 8.190 nan 0.000 0.447 525 L N -0.063 121.164 121.223 0.007 0.000 2.083 525 L HA -0.218 4.125 4.340 0.005 0.000 0.209 525 L C 2.607 179.477 176.870 0.000 0.000 1.083 525 L CA 2.067 56.908 54.840 0.001 0.000 0.752 525 L CB -0.609 41.447 42.059 -0.005 0.000 0.899 525 L HN 0.486 nan 8.230 nan 0.000 0.433 526 E N -0.005 120.197 120.200 0.002 0.000 2.047 526 E HA -0.197 4.156 4.350 0.005 0.000 0.191 526 E C 1.970 178.572 176.600 0.004 0.000 0.987 526 E CA 1.847 58.249 56.400 0.002 0.000 0.799 526 E CB 0.089 29.791 29.700 0.004 0.000 0.752 526 E HN 0.370 nan 8.360 nan 0.000 0.449 527 T N 1.674 116.230 114.554 0.004 0.000 2.708 527 T HA -0.128 4.225 4.350 0.005 0.000 0.266 527 T C 1.914 176.615 174.700 0.002 0.000 1.037 527 T CA 1.236 63.338 62.100 0.004 0.000 1.146 527 T CB -0.213 68.657 68.868 0.004 0.000 0.865 527 T HN 0.157 nan 8.240 nan 0.000 0.435 528 L N 0.665 121.887 121.223 -0.001 0.000 2.046 528 L HA -0.118 4.225 4.340 0.005 0.000 0.208 528 L C 2.834 179.702 176.870 -0.004 0.000 1.077 528 L CA 1.398 56.234 54.840 -0.007 0.000 0.747 528 L CB -0.534 41.519 42.059 -0.009 0.000 0.896 528 L HN 0.232 nan 8.230 nan 0.000 0.432 529 E N 0.505 120.705 120.200 0.000 0.000 2.110 529 E HA -0.202 4.151 4.350 0.005 0.000 0.193 529 E C 2.078 178.684 176.600 0.011 0.000 0.988 529 E CA 1.467 57.870 56.400 0.004 0.000 0.804 529 E CB -0.066 29.636 29.700 0.002 0.000 0.745 529 E HN 0.388 nan 8.360 nan 0.000 0.458 530 A N 0.369 123.195 122.820 0.011 0.000 1.898 530 A HA -0.121 4.202 4.320 0.005 0.000 0.216 530 A C 2.334 179.933 177.584 0.026 0.000 1.181 530 A CA 1.408 53.454 52.037 0.016 0.000 0.620 530 A CB -0.678 18.329 19.000 0.012 0.000 0.819 530 A HN 0.340 nan 8.150 nan 0.000 0.442 531 I N -0.988 119.595 120.570 0.022 0.000 2.163 531 I HA -0.300 3.873 4.170 0.005 0.000 0.243 531 I C 2.745 178.900 176.117 0.064 0.000 1.085 531 I CA 1.887 63.207 61.300 0.033 0.000 1.347 531 I CB -0.298 37.704 38.000 0.003 0.000 1.044 531 I HN 0.368 nan 8.210 nan 0.000 0.408 532 R N 0.328 120.853 120.500 0.041 0.000 2.073 532 R HA -0.171 4.172 4.340 0.005 0.000 0.234 532 R C 2.336 178.699 176.300 0.104 0.000 1.134 532 R CA 2.207 58.347 56.100 0.066 0.000 0.952 532 R CB -0.334 29.982 30.300 0.026 0.000 0.850 532 R HN 0.260 nan 8.270 nan 0.000 0.433 533 T N 0.518 115.107 114.554 0.059 0.000 2.684 533 T HA -0.177 4.176 4.350 0.005 0.000 0.267 533 T C 1.773 176.502 174.700 0.048 0.000 1.036 533 T CA 1.550 63.675 62.100 0.043 0.000 1.148 533 T CB -0.359 68.523 68.868 0.023 0.000 0.863 533 T HN 0.488 nan 8.240 nan 0.000 0.436 534 A N 0.802 123.657 122.820 0.059 0.000 1.902 534 A HA -0.015 4.308 4.320 0.005 0.000 0.217 534 A C 2.036 179.659 177.584 0.064 0.000 1.181 534 A CA 1.428 53.495 52.037 0.049 0.000 0.623 534 A CB -0.981 18.049 19.000 0.051 0.000 0.818 534 A HN 0.496 nan 8.150 nan 0.000 0.443 535 F N 1.515 121.455 119.950 -0.017 0.000 2.075 535 F HA -0.223 4.306 4.527 0.003 0.000 0.297 535 F C 2.031 177.818 175.800 -0.021 0.000 1.113 535 F CA 2.216 60.206 58.000 -0.017 0.000 1.218 535 F CB -0.279 38.711 39.000 -0.018 0.000 0.984 535 F HN 0.208 nan 8.300 nan 0.000 0.472 536 N N 0.631 119.404 118.700 0.122 0.000 2.166 536 N HA -0.121 4.622 4.740 0.005 0.000 0.186 536 N C 2.065 177.516 175.510 -0.098 0.000 1.019 536 N CA 1.347 54.398 53.050 0.002 0.000 0.856 536 N CB -1.257 37.264 38.487 0.056 0.000 0.993 536 N HN 0.487 nan 8.380 nan 0.000 0.426 537 G N 0.044 108.804 108.800 -0.067 0.000 2.448 537 G HA2 -0.111 3.852 3.960 0.005 0.000 0.219 537 G HA3 -0.111 3.852 3.960 0.005 0.000 0.219 537 G C 1.344 176.181 174.900 -0.105 0.000 1.127 537 G CA 0.889 45.947 45.100 -0.068 0.000 0.766 537 G HN 0.444 nan 8.290 nan 0.000 0.552 538 A N -0.787 121.931 122.820 -0.169 0.000 2.251 538 A HA 0.309 4.632 4.320 0.005 0.000 0.209 538 A C 1.254 178.697 177.584 -0.236 0.000 1.187 538 A CA 0.204 52.126 52.037 -0.192 0.000 0.823 538 A CB 0.053 18.926 19.000 -0.212 0.000 0.846 538 A HN 0.295 nan 8.150 nan 0.000 0.486 539 Q N 0.441 120.082 119.800 -0.265 0.000 2.260 539 Q HA 0.457 4.800 4.340 0.005 0.000 0.238 539 Q C -0.236 175.688 176.000 -0.126 0.000 0.948 539 Q CA -0.055 55.607 55.803 -0.236 0.000 0.895 539 Q CB 0.849 29.438 28.738 -0.248 0.000 1.218 539 Q HN 0.240 nan 8.270 nan 0.000 0.470 540 R N -0.549 119.895 120.500 -0.092 0.000 2.902 540 R HA 0.718 5.061 4.340 0.005 0.000 0.258 540 R C 0.263 176.545 176.300 -0.029 0.000 1.071 540 R CA -0.063 56.006 56.100 -0.053 0.000 1.024 540 R CB 0.829 31.103 30.300 -0.043 0.000 1.184 540 R HN 0.826 nan 8.270 nan 0.000 0.492 541 G N 0.025 108.816 108.800 -0.015 0.000 2.682 541 G HA2 -0.293 3.670 3.960 0.005 0.000 0.256 541 G HA3 -0.293 3.670 3.960 0.005 0.000 0.256 541 G C 0.576 175.479 174.900 0.004 0.000 1.333 541 G CA 0.017 45.118 45.100 0.001 0.000 0.904 541 G HN 0.727 nan 8.290 nan 0.000 0.569 542 G N -0.304 108.512 108.800 0.027 0.000 3.262 542 G HA2 0.338 4.301 3.960 0.005 0.000 0.228 542 G HA3 0.338 4.301 3.960 0.005 0.000 0.228 542 G C 0.714 175.637 174.900 0.038 0.000 1.197 542 G CA 0.920 46.040 45.100 0.033 0.000 0.819 542 G HN 0.780 nan 8.290 nan 0.000 0.531 543 K N 0.600 121.027 120.400 0.044 0.000 2.451 543 K HA 0.222 4.545 4.320 0.005 0.000 0.280 543 K C 0.140 176.745 176.600 0.010 0.000 1.020 543 K CA 0.094 56.432 56.287 0.085 0.000 1.008 543 K CB 0.300 32.861 32.500 0.102 0.000 0.917 543 K HN 0.434 nan 8.250 nan 0.000 0.478 544 Q N 1.226 121.006 119.800 -0.034 0.000 2.482 544 Q HA 0.452 4.795 4.340 0.005 0.000 0.286 544 Q C -1.913 174.110 176.000 0.039 0.000 1.007 544 Q CA -1.072 54.693 55.803 -0.064 0.000 0.801 544 Q CB 1.799 30.359 28.738 -0.296 0.000 1.455 544 Q HN 0.278 nan 8.270 nan 0.000 0.398 545 V N 1.929 121.914 119.914 0.119 0.000 2.435 545 V HA 0.676 4.799 4.120 0.005 0.000 0.290 545 V C -0.405 175.716 176.094 0.045 0.000 1.030 545 V CA 0.082 62.426 62.300 0.075 0.000 0.881 545 V CB 1.780 33.553 31.823 -0.083 0.000 0.983 545 V HN 1.003 nan 8.190 nan 0.000 0.445 546 S N 5.792 121.545 115.700 0.089 0.000 2.579 546 S HA 0.145 4.618 4.470 0.005 0.000 0.275 546 S C 0.884 175.506 174.600 0.036 0.000 1.345 546 S CA -0.129 58.113 58.200 0.069 0.000 1.031 546 S CB 1.191 64.449 63.200 0.097 0.000 0.892 546 S HN 0.820 nan 8.310 nan 0.000 0.529 547 L N 2.482 123.719 121.223 0.022 0.000 2.093 547 L HA 0.086 4.429 4.340 0.005 0.000 0.208 547 L C 2.619 179.499 176.870 0.015 0.000 1.085 547 L CA 2.185 57.031 54.840 0.009 0.000 0.755 547 L CB -1.502 40.558 42.059 0.002 0.000 0.904 547 L HN 0.974 nan 8.230 nan 0.000 0.435 548 A N -0.669 122.165 122.820 0.024 0.000 1.873 548 A HA -0.277 4.046 4.320 0.005 0.000 0.218 548 A C 2.075 179.695 177.584 0.059 0.000 1.193 548 A CA 2.175 54.227 52.037 0.025 0.000 0.629 548 A CB -0.936 18.075 19.000 0.019 0.000 0.826 548 A HN 0.499 nan 8.150 nan 0.000 0.447 549 D N -0.758 119.701 120.400 0.098 0.000 2.117 549 D HA -0.108 4.535 4.640 0.005 0.000 0.197 549 D C 1.843 178.216 176.300 0.122 0.000 0.987 549 D CA 1.232 55.364 54.000 0.219 0.000 0.829 549 D CB -0.356 40.605 40.800 0.269 0.000 0.961 549 D HN 0.314 nan 8.370 nan 0.000 0.460 550 L N 0.751 121.981 121.223 0.010 0.000 2.093 550 L HA -0.052 4.291 4.340 0.005 0.000 0.208 550 L C 2.090 178.927 176.870 -0.055 0.000 1.085 550 L CA 1.148 55.939 54.840 -0.081 0.000 0.755 550 L CB -0.469 41.541 42.059 -0.083 0.000 0.904 550 L HN -0.002 nan 8.230 nan 0.000 0.435 551 I N -1.674 118.894 120.570 -0.003 0.000 2.163 551 I HA -0.318 3.855 4.170 0.005 0.000 0.243 551 I C 2.316 178.462 176.117 0.047 0.000 1.085 551 I CA 1.416 62.727 61.300 0.018 0.000 1.347 551 I CB -0.404 37.608 38.000 0.020 0.000 1.044 551 I HN 0.066 nan 8.210 nan 0.000 0.408 552 V N 0.504 120.462 119.914 0.073 0.000 2.295 552 V HA -0.276 3.847 4.120 0.005 0.000 0.246 552 V C 2.363 178.517 176.094 0.100 0.000 1.049 552 V CA 1.713 64.094 62.300 0.136 0.000 1.024 552 V CB -0.604 31.351 31.823 0.220 0.000 0.648 552 V HN 0.360 nan 8.190 nan 0.000 0.447 553 L N 0.960 122.085 121.223 -0.163 0.000 2.046 553 L HA -0.095 4.248 4.340 0.005 0.000 0.208 553 L C 2.459 179.204 176.870 -0.208 0.000 1.077 553 L CA 2.377 56.899 54.840 -0.529 0.000 0.747 553 L CB -1.025 40.463 42.059 -0.952 0.000 0.896 553 L HN 0.228 nan 8.230 nan 0.000 0.432 554 A N -0.567 122.183 122.820 -0.117 0.000 1.908 554 A HA -0.104 4.219 4.320 0.005 0.000 0.218 554 A C 2.352 179.959 177.584 0.037 0.000 1.181 554 A CA 1.606 53.617 52.037 -0.043 0.000 0.627 554 A CB -1.598 17.386 19.000 -0.027 0.000 0.818 554 A HN 0.538 nan 8.150 nan 0.000 0.445 555 G N -0.972 107.911 108.800 0.139 0.000 2.422 555 G HA2 -0.257 3.706 3.960 0.005 0.000 0.218 555 G HA3 -0.257 3.706 3.960 0.005 0.000 0.218 555 G C 1.559 176.612 174.900 0.254 0.000 1.146 555 G CA 1.310 46.593 45.100 0.303 0.000 0.769 555 G HN 0.534 nan 8.290 nan 0.000 0.547 556 C N 0.883 120.342 119.300 0.264 0.000 2.432 556 C HA 0.176 4.639 4.460 0.005 0.000 0.277 556 C C 3.537 178.540 174.990 0.021 0.000 1.249 556 C CA 0.757 59.887 59.018 0.188 0.000 1.725 556 C CB -0.994 26.858 27.740 0.187 0.000 2.028 556 C HN 0.577 nan 8.230 nan 0.000 0.477 557 A N 1.014 123.825 122.820 -0.014 0.000 1.917 557 A HA -0.026 4.297 4.320 0.005 0.000 0.219 557 A C 2.405 179.961 177.584 -0.048 0.000 1.182 557 A CA 2.265 54.279 52.037 -0.039 0.000 0.633 557 A CB -1.323 17.646 19.000 -0.052 0.000 0.819 557 A HN 0.570 nan 8.150 nan 0.000 0.448 558 G N -0.700 108.070 108.800 -0.051 0.000 2.440 558 G HA2 -0.132 3.831 3.960 0.005 0.000 0.218 558 G HA3 -0.132 3.831 3.960 0.005 0.000 0.218 558 G C 1.507 176.320 174.900 -0.145 0.000 1.154 558 G CA 1.306 46.356 45.100 -0.082 0.000 0.767 558 G HN 0.351 nan 8.290 nan 0.000 0.552 559 V N 0.664 120.448 119.914 -0.217 0.000 2.358 559 V HA -0.151 3.972 4.120 0.005 0.000 0.246 559 V C 2.656 178.663 176.094 -0.145 0.000 1.047 559 V CA 2.132 64.268 62.300 -0.274 0.000 1.035 559 V CB -0.531 31.026 31.823 -0.443 0.000 0.658 559 V HN 0.465 nan 8.190 nan 0.000 0.452 560 E N -0.148 120.000 120.200 -0.087 0.000 2.058 560 E HA -0.337 4.016 4.350 0.005 0.000 0.194 560 E C 2.264 178.843 176.600 -0.034 0.000 0.997 560 E CA 1.689 58.065 56.400 -0.040 0.000 0.801 560 E CB -0.169 29.519 29.700 -0.020 0.000 0.746 560 E HN 0.523 nan 8.360 nan 0.000 0.450 561 Q N 0.765 120.537 119.800 -0.045 0.000 2.084 561 Q HA -0.130 4.213 4.340 0.005 0.000 0.202 561 Q C 1.940 177.915 176.000 -0.042 0.000 0.978 561 Q CA 1.842 57.623 55.803 -0.036 0.000 0.844 561 Q CB -0.334 28.381 28.738 -0.038 0.000 0.898 561 Q HN 0.254 nan 8.270 nan 0.000 0.426 562 A N 0.250 123.025 122.820 -0.075 0.000 1.902 562 A HA -0.070 4.253 4.320 0.005 0.000 0.217 562 A C 2.288 179.844 177.584 -0.047 0.000 1.181 562 A CA 1.912 53.899 52.037 -0.084 0.000 0.623 562 A CB -1.190 17.718 19.000 -0.154 0.000 0.818 562 A HN 0.527 nan 8.150 nan 0.000 0.443 563 A N -0.097 122.698 122.820 -0.041 0.000 1.877 563 A HA -0.181 4.142 4.320 0.005 0.000 0.216 563 A C 2.134 179.772 177.584 0.091 0.000 1.186 563 A CA 2.046 54.097 52.037 0.024 0.000 0.620 563 A CB -0.516 18.488 19.000 0.007 0.000 0.822 563 A HN 0.569 nan 8.150 nan 0.000 0.443 564 K N -0.285 120.143 120.400 0.046 0.000 2.074 564 K HA -0.230 4.093 4.320 0.005 0.000 0.209 564 K C 1.537 178.153 176.600 0.028 0.000 1.048 564 K CA 1.769 58.079 56.287 0.037 0.000 0.926 564 K CB -0.250 32.259 32.500 0.015 0.000 0.713 564 K HN 0.426 nan 8.250 nan 0.000 0.444 565 N N 0.425 119.136 118.700 0.017 0.000 2.289 565 N HA -0.138 4.605 4.740 0.005 0.000 0.184 565 N C 1.173 176.699 175.510 0.027 0.000 1.016 565 N CA 1.332 54.389 53.050 0.012 0.000 0.872 565 N CB -0.159 38.326 38.487 -0.003 0.000 0.973 565 N HN 0.318 nan 8.380 nan 0.000 0.433 566 A N -0.595 122.264 122.820 0.065 0.000 2.345 566 A HA 0.496 4.819 4.320 0.005 0.000 0.225 566 A C 1.318 178.935 177.584 0.055 0.000 1.243 566 A CA 0.494 52.594 52.037 0.105 0.000 0.875 566 A CB -0.183 18.935 19.000 0.198 0.000 0.929 566 A HN 0.263 nan 8.150 nan 0.000 0.502 567 G N -0.640 108.162 108.800 0.003 0.000 2.132 567 G HA2 -0.187 3.776 3.960 0.005 0.000 0.234 567 G HA3 -0.187 3.776 3.960 0.005 0.000 0.234 567 G C -0.095 174.686 174.900 -0.199 0.000 0.989 567 G CA 0.194 45.234 45.100 -0.100 0.000 0.676 567 G HN 0.688 nan 8.290 nan 0.000 0.522 568 H N -0.276 118.804 119.070 0.015 0.000 2.499 568 H HA 0.645 5.204 4.556 0.005 0.000 0.340 568 H C 0.238 175.574 175.328 0.013 0.000 1.148 568 H CA 0.072 56.132 56.048 0.020 0.000 1.215 568 H CB 2.004 31.783 29.762 0.029 0.000 1.529 568 H HN 0.476 nan 8.280 nan 0.000 0.510 569 A N 3.404 126.305 122.820 0.135 0.000 2.341 569 A HA 0.472 4.795 4.320 0.005 0.000 0.326 569 A C -0.454 177.178 177.584 0.081 0.000 1.402 569 A CA -0.492 51.593 52.037 0.080 0.000 0.957 569 A CB -0.228 18.802 19.000 0.052 0.000 1.151 569 A HN 0.352 nan 8.150 nan 0.000 0.533 570 V N 2.562 122.515 119.914 0.064 0.000 2.531 570 V HA 0.464 4.587 4.120 0.005 0.000 0.301 570 V C -0.001 176.114 176.094 0.035 0.000 1.034 570 V CA -0.435 61.894 62.300 0.048 0.000 0.865 570 V CB 2.105 33.947 31.823 0.032 0.000 0.995 570 V HN 0.795 nan 8.190 nan 0.000 0.424 571 T N 4.113 118.689 114.554 0.038 0.000 2.767 571 T HA 0.518 4.871 4.350 0.005 0.000 0.284 571 T C -0.193 174.539 174.700 0.053 0.000 0.973 571 T CA -0.360 61.764 62.100 0.040 0.000 0.996 571 T CB 1.526 70.418 68.868 0.040 0.000 0.927 571 T HN 0.350 nan 8.240 nan 0.000 0.456 572 V N 6.636 126.590 119.914 0.066 0.000 2.432 572 V HA 0.299 4.422 4.120 0.005 0.000 0.275 572 V C -1.837 174.337 176.094 0.134 0.000 1.043 572 V CA -1.906 60.457 62.300 0.106 0.000 0.925 572 V CB 0.718 32.618 31.823 0.129 0.000 0.985 572 V HN 0.739 nan 8.190 nan 0.000 0.466 573 P HA 0.211 nan 4.420 nan 0.000 0.267 573 P C -1.002 176.419 177.300 0.203 0.000 1.200 573 P CA 0.056 63.227 63.100 0.118 0.000 0.772 573 P CB 0.315 32.048 31.700 0.054 0.000 0.855 574 F N 1.018 120.970 119.950 0.004 0.000 2.588 574 F HA 0.587 5.117 4.527 0.004 0.000 0.314 574 F C -1.563 174.220 175.800 -0.027 0.000 1.134 574 F CA -0.837 57.157 58.000 -0.008 0.000 0.961 574 F CB 1.492 40.493 39.000 0.003 0.000 1.239 574 F HN 0.406 nan 8.300 nan 0.000 0.448 575 A N 8.029 130.238 122.820 -1.019 0.000 2.285 575 A HA 0.755 5.078 4.320 0.005 0.000 0.310 575 A C -2.821 174.084 177.584 -1.131 0.000 1.266 575 A CA -1.652 49.907 52.037 -0.795 0.000 0.832 575 A CB 0.414 19.155 19.000 -0.432 0.000 1.163 575 A HN 0.465 nan 8.150 nan 0.000 0.499 576 P HA 0.469 nan 4.420 nan 0.000 0.275 576 P C 0.760 177.934 177.300 -0.210 0.000 1.266 576 P CA 0.950 63.835 63.100 -0.358 0.000 0.793 576 P CB 0.992 32.703 31.700 0.018 0.000 1.074 577 G N -0.985 107.759 108.800 -0.093 0.000 2.227 577 G HA2 -0.134 3.829 3.960 0.005 0.000 0.168 577 G HA3 -0.134 3.829 3.960 0.005 0.000 0.168 577 G C 0.127 174.986 174.900 -0.068 0.000 1.006 577 G CA -0.542 44.506 45.100 -0.087 0.000 0.684 577 G HN 0.530 nan 8.290 nan 0.000 0.489 578 R N 0.677 121.148 120.500 -0.048 0.000 2.594 578 R HA 0.646 4.989 4.340 0.005 0.000 0.272 578 R C 0.475 176.782 176.300 0.012 0.000 1.074 578 R CA 0.630 56.714 56.100 -0.027 0.000 1.105 578 R CB 0.946 31.235 30.300 -0.020 0.000 1.008 578 R HN 0.501 nan 8.270 nan 0.000 0.472 579 A N 1.565 124.390 122.820 0.008 0.000 2.386 579 A HA 0.399 4.722 4.320 0.005 0.000 0.308 579 A C -1.164 176.433 177.584 0.021 0.000 1.128 579 A CA -0.935 51.120 52.037 0.031 0.000 0.789 579 A CB 1.183 20.193 19.000 0.017 0.000 1.325 579 A HN 0.610 nan 8.150 nan 0.000 0.437 580 D N 1.288 121.706 120.400 0.029 0.000 2.274 580 D HA 0.517 5.160 4.640 0.005 0.000 0.239 580 D C 0.127 176.430 176.300 0.004 0.000 1.104 580 D CA 0.373 54.380 54.000 0.013 0.000 0.840 580 D CB 1.618 42.427 40.800 0.015 0.000 1.100 580 D HN 0.694 nan 8.370 nan 0.000 0.477 581 A N 2.012 124.828 122.820 -0.006 0.000 2.302 581 A HA 0.523 4.846 4.320 0.005 0.000 0.285 581 A C 0.681 178.258 177.584 -0.012 0.000 1.105 581 A CA -0.554 51.477 52.037 -0.011 0.000 0.816 581 A CB 0.520 19.510 19.000 -0.015 0.000 1.067 581 A HN 0.518 nan 8.150 nan 0.000 0.489 582 S N 0.610 116.304 115.700 -0.011 0.000 2.669 582 S HA 0.245 4.718 4.470 0.005 0.000 0.270 582 S C 0.914 175.507 174.600 -0.012 0.000 1.225 582 S CA 0.096 58.290 58.200 -0.010 0.000 0.991 582 S CB 1.011 64.207 63.200 -0.006 0.000 0.987 582 S HN 0.733 nan 8.310 nan 0.000 0.552 583 Q N 0.709 120.502 119.800 -0.012 0.000 2.096 583 Q HA -0.159 4.184 4.340 0.005 0.000 0.204 583 Q C 1.651 177.650 176.000 -0.001 0.000 0.982 583 Q CA 2.288 58.084 55.803 -0.011 0.000 0.850 583 Q CB -0.594 28.138 28.738 -0.010 0.000 0.901 583 Q HN 0.885 nan 8.270 nan 0.000 0.422 584 E N -0.171 120.030 120.200 0.001 0.000 2.204 584 E HA -0.138 4.215 4.350 0.005 0.000 0.194 584 E C 1.274 177.878 176.600 0.007 0.000 0.989 584 E CA 0.977 57.381 56.400 0.008 0.000 0.824 584 E CB 0.021 29.725 29.700 0.008 0.000 0.756 584 E HN 0.486 nan 8.360 nan 0.000 0.477 585 Q N -0.220 119.580 119.800 -0.001 0.000 2.322 585 Q HA 0.107 4.450 4.340 0.005 0.000 0.203 585 Q C -0.441 175.559 176.000 -0.001 0.000 0.923 585 Q CA 0.401 56.200 55.803 -0.007 0.000 0.949 585 Q CB 0.625 29.352 28.738 -0.017 0.000 1.039 585 Q HN -0.023 nan 8.270 nan 0.000 0.496 586 T N 0.806 115.364 114.554 0.008 0.000 3.077 586 T HA 0.040 4.393 4.350 0.005 0.000 0.359 586 T C -1.083 173.636 174.700 0.031 0.000 1.108 586 T CA -0.747 61.361 62.100 0.013 0.000 1.170 586 T CB 0.852 69.716 68.868 -0.008 0.000 1.045 586 T HN 0.031 nan 8.240 nan 0.000 0.505 587 D N 2.956 123.389 120.400 0.055 0.000 2.389 587 D HA 0.031 4.674 4.640 0.005 0.000 0.263 587 D C 1.282 177.629 176.300 0.079 0.000 1.255 587 D CA -0.030 54.015 54.000 0.076 0.000 0.914 587 D CB 1.053 41.918 40.800 0.108 0.000 1.116 587 D HN 0.185 nan 8.370 nan 0.000 0.502 588 V N 4.312 124.266 119.914 0.068 0.000 2.490 588 V HA -0.193 3.930 4.120 0.005 0.000 0.250 588 V C 2.341 178.500 176.094 0.108 0.000 1.061 588 V CA 1.623 63.967 62.300 0.073 0.000 1.064 588 V CB -0.403 31.453 31.823 0.055 0.000 0.670 588 V HN 0.608 nan 8.190 nan 0.000 0.461 589 E N -0.181 120.082 120.200 0.105 0.000 2.047 589 E HA -0.194 4.159 4.350 0.005 0.000 0.191 589 E C 2.419 179.094 176.600 0.125 0.000 0.987 589 E CA 1.384 57.851 56.400 0.112 0.000 0.799 589 E CB -0.165 29.595 29.700 0.100 0.000 0.752 589 E HN 0.539 nan 8.360 nan 0.000 0.449 590 S N -0.387 115.391 115.700 0.130 0.000 2.428 590 S HA -0.092 4.381 4.470 0.005 0.000 0.230 590 S C 1.913 176.604 174.600 0.152 0.000 1.014 590 S CA 0.569 58.854 58.200 0.141 0.000 0.957 590 S CB -0.063 63.231 63.200 0.157 0.000 0.784 590 S HN 0.160 nan 8.310 nan 0.000 0.499 591 M N 1.696 121.394 119.600 0.163 0.000 2.279 591 M HA 0.125 4.608 4.480 0.005 0.000 0.264 591 M C 2.320 178.821 176.300 0.336 0.000 1.062 591 M CA 1.093 56.526 55.300 0.222 0.000 1.099 591 M CB -1.822 30.886 32.600 0.180 0.000 1.394 591 M HN 0.520 nan 8.290 nan 0.000 0.426 592 A N -0.039 122.943 122.820 0.269 0.000 1.940 592 A HA -0.137 4.186 4.320 0.005 0.000 0.219 592 A C 2.129 179.771 177.584 0.098 0.000 1.176 592 A CA 2.110 54.295 52.037 0.246 0.000 0.631 592 A CB -1.215 17.887 19.000 0.168 0.000 0.814 592 A HN 0.445 nan 8.150 nan 0.000 0.446 593 V N -2.324 117.636 119.914 0.076 0.000 2.913 593 V HA -0.075 4.048 4.120 0.005 0.000 0.260 593 V C 1.890 177.958 176.094 -0.043 0.000 1.098 593 V CA 1.682 63.981 62.300 -0.001 0.000 1.121 593 V CB -0.851 30.975 31.823 0.005 0.000 0.714 593 V HN 0.470 nan 8.190 nan 0.000 0.487 594 L N 0.164 121.401 121.223 0.022 0.000 2.554 594 L HA 0.205 4.548 4.340 0.005 0.000 0.226 594 L C 1.377 178.064 176.870 -0.305 0.000 1.137 594 L CA 0.311 55.151 54.840 0.000 0.000 0.863 594 L CB -0.365 41.820 42.059 0.211 0.000 0.985 594 L HN 0.451 nan 8.230 nan 0.000 0.451 595 E N 3.499 123.274 120.200 -0.709 0.000 2.493 595 E HA -0.022 4.331 4.350 0.005 0.000 0.255 595 E C -1.935 174.285 176.600 -0.633 0.000 0.999 595 E CA -1.369 54.186 56.400 -1.408 0.000 0.934 595 E CB 0.684 29.572 29.700 -1.353 0.000 0.940 595 E HN 0.003 nan 8.360 nan 0.000 0.473 596 P HA 0.003 nan 4.420 nan 0.000 0.247 596 P C 0.787 178.111 177.300 0.039 0.000 1.756 596 P CA -0.060 62.968 63.100 -0.120 0.000 1.117 596 P CB 0.389 32.091 31.700 0.004 0.000 1.869 597 V N 0.411 120.316 119.914 -0.015 0.000 2.759 597 V HA 0.097 4.220 4.120 0.005 0.000 0.256 597 V C 0.860 177.029 176.094 0.125 0.000 1.080 597 V CA 1.202 63.565 62.300 0.105 0.000 1.101 597 V CB -1.086 30.745 31.823 0.014 0.000 0.698 597 V HN 0.393 nan 8.190 nan 0.000 0.477 598 A N 0.378 123.236 122.820 0.064 0.000 2.330 598 A HA 0.704 5.027 4.320 0.005 0.000 0.313 598 A C -1.105 176.594 177.584 0.191 0.000 1.124 598 A CA -0.240 51.858 52.037 0.102 0.000 0.774 598 A CB 1.356 20.357 19.000 0.002 0.000 1.198 598 A HN 0.345 nan 8.150 nan 0.000 0.465 599 D N 2.246 122.826 120.400 0.300 0.000 2.336 599 D HA 0.381 5.024 4.640 0.005 0.000 0.248 599 D C 1.158 177.616 176.300 0.263 0.000 1.326 599 D CA 0.354 54.563 54.000 0.348 0.000 0.973 599 D CB 1.036 42.106 40.800 0.450 0.000 1.255 599 D HN 0.493 nan 8.370 nan 0.000 0.558 600 G N 1.483 110.333 108.800 0.083 0.000 2.448 600 G HA2 -0.230 3.733 3.960 0.005 0.000 0.219 600 G HA3 -0.230 3.733 3.960 0.005 0.000 0.219 600 G C 1.196 175.994 174.900 -0.170 0.000 1.127 600 G CA 0.372 45.414 45.100 -0.097 0.000 0.766 600 G HN 0.494 nan 8.290 nan 0.000 0.552 601 F N 0.128 120.127 119.950 0.082 0.000 2.451 601 F HA 0.155 4.685 4.527 0.004 0.000 0.299 601 F C 2.551 178.240 175.800 -0.186 0.000 1.101 601 F CA 0.714 58.645 58.000 -0.116 0.000 1.436 601 F CB 0.249 39.138 39.000 -0.185 0.000 1.074 601 F HN 0.002 nan 8.300 nan 0.000 0.553 602 R N -0.339 120.253 120.500 0.155 0.000 2.577 602 R HA 0.100 4.443 4.340 0.005 0.000 0.344 602 R C 0.027 176.416 176.300 0.149 0.000 1.037 602 R CA -0.200 55.974 56.100 0.123 0.000 1.102 602 R CB -0.041 30.392 30.300 0.220 0.000 1.313 602 R HN -0.054 nan 8.270 nan 0.000 0.561 603 N N 1.140 119.907 118.700 0.111 0.000 2.716 603 N HA -0.279 4.464 4.740 0.005 0.000 0.250 603 N C -1.564 174.068 175.510 0.203 0.000 1.033 603 N CA 0.929 54.051 53.050 0.119 0.000 0.727 603 N CB -0.962 37.583 38.487 0.096 0.000 0.950 603 N HN 0.370 nan 8.380 nan 0.000 0.541 604 Y N 0.033 120.389 120.300 0.093 0.000 2.364 604 Y HA 0.654 5.208 4.550 0.006 0.000 0.340 604 Y C -0.706 175.262 175.900 0.113 0.000 0.975 604 Y CA -0.871 57.293 58.100 0.107 0.000 1.089 604 Y CB 1.019 39.554 38.460 0.126 0.000 1.192 604 Y HN 0.113 nan 8.280 nan 0.000 0.454 605 L N 7.673 128.552 121.223 -0.574 0.000 2.441 605 L HA 0.377 4.720 4.340 0.005 0.000 0.270 605 L C 0.780 177.215 176.870 -0.725 0.000 0.973 605 L CA -0.627 53.933 54.840 -0.466 0.000 0.842 605 L CB 2.081 44.039 42.059 -0.169 0.000 1.239 605 L HN 0.711 nan 8.230 nan 0.000 0.406 606 K N 1.933 121.959 120.400 -0.624 0.000 2.097 606 K HA 0.020 4.343 4.320 0.005 0.000 0.206 606 K C 0.713 177.179 176.600 -0.222 0.000 1.049 606 K CA 1.332 57.436 56.287 -0.305 0.000 0.933 606 K CB 0.299 32.832 32.500 0.055 0.000 0.717 606 K HN 0.820 nan 8.250 nan 0.000 0.442 607 G N -0.281 108.270 108.800 -0.415 0.000 2.870 607 G HA2 0.198 4.161 3.960 0.005 0.000 0.299 607 G HA3 0.198 4.161 3.960 0.005 0.000 0.299 607 G C -1.744 172.615 174.900 -0.902 0.000 1.324 607 G CA -0.739 44.012 45.100 -0.581 0.000 0.808 607 G HN 0.016 nan 8.290 nan 0.000 0.535 608 K N 0.353 120.362 120.400 -0.652 0.000 2.276 608 K HA 0.416 4.739 4.320 0.005 0.000 0.285 608 K C -1.324 174.943 176.600 -0.555 0.000 1.062 608 K CA -0.195 55.799 56.287 -0.488 0.000 0.918 608 K CB 0.360 32.720 32.500 -0.233 0.000 1.055 608 K HN 0.499 nan 8.250 nan 0.000 0.477 609 Y N 2.055 122.324 120.300 -0.052 0.000 2.549 609 Y HA 0.340 4.892 4.550 0.004 0.000 0.339 609 Y C 1.426 177.297 175.900 -0.050 0.000 1.053 609 Y CA -1.082 56.985 58.100 -0.055 0.000 1.105 609 Y CB 1.662 40.081 38.460 -0.068 0.000 1.258 609 Y HN 0.501 nan 8.280 nan 0.000 0.478 610 R N 0.168 120.748 120.500 0.133 0.000 2.200 610 R HA 0.090 4.433 4.340 0.005 0.000 0.208 610 R C -0.395 175.916 176.300 0.017 0.000 1.033 610 R CA 0.277 56.404 56.100 0.046 0.000 1.000 610 R CB 0.138 30.451 30.300 0.021 0.000 0.906 610 R HN 0.285 nan 8.270 nan 0.000 0.462 611 V N 3.723 123.644 119.914 0.011 0.000 2.461 611 V HA 0.149 4.272 4.120 0.005 0.000 0.275 611 V C -2.072 174.026 176.094 0.008 0.000 1.047 611 V CA -1.907 60.370 62.300 -0.037 0.000 0.955 611 V CB 1.088 32.843 31.823 -0.113 0.000 0.988 611 V HN 0.046 nan 8.190 nan 0.000 0.471 612 P HA 0.150 nan 4.420 nan 0.000 0.268 612 P C 0.604 177.903 177.300 -0.000 0.000 1.205 612 P CA -0.111 62.994 63.100 0.009 0.000 0.771 612 P CB 0.789 32.491 31.700 0.002 0.000 0.858 613 A N 3.486 126.317 122.820 0.018 0.000 2.024 613 A HA -0.208 4.115 4.320 0.005 0.000 0.220 613 A C 1.850 179.414 177.584 -0.034 0.000 1.164 613 A CA 1.541 53.585 52.037 0.011 0.000 0.643 613 A CB -0.878 18.139 19.000 0.029 0.000 0.806 613 A HN 0.685 nan 8.150 nan 0.000 0.451 614 E N 0.268 120.435 120.200 -0.056 0.000 2.152 614 E HA -0.093 4.260 4.350 0.005 0.000 0.192 614 E C 1.852 178.379 176.600 -0.122 0.000 0.983 614 E CA 1.453 57.785 56.400 -0.113 0.000 0.818 614 E CB -0.974 28.639 29.700 -0.145 0.000 0.758 614 E HN 0.335 nan 8.360 nan 0.000 0.467 615 V N 2.145 122.004 119.914 -0.091 0.000 2.295 615 V HA -0.232 3.891 4.120 0.005 0.000 0.246 615 V C 2.723 178.761 176.094 -0.094 0.000 1.049 615 V CA 1.537 63.780 62.300 -0.094 0.000 1.024 615 V CB -0.600 31.172 31.823 -0.085 0.000 0.648 615 V HN 0.197 nan 8.190 nan 0.000 0.447 616 L N -0.601 120.571 121.223 -0.084 0.000 2.131 616 L HA -0.183 4.160 4.340 0.005 0.000 0.210 616 L C 2.448 179.284 176.870 -0.057 0.000 1.092 616 L CA 1.155 55.948 54.840 -0.079 0.000 0.759 616 L CB -0.628 41.388 42.059 -0.072 0.000 0.903 616 L HN 0.370 nan 8.230 nan 0.000 0.435 617 L N -0.379 120.796 121.223 -0.081 0.000 2.005 617 L HA -0.131 4.212 4.340 0.005 0.000 0.207 617 L C 2.387 179.217 176.870 -0.065 0.000 1.072 617 L CA 1.648 56.416 54.840 -0.120 0.000 0.744 617 L CB -0.418 41.527 42.059 -0.190 0.000 0.895 617 L HN -0.111 nan 8.230 nan 0.000 0.433 618 V N 0.261 120.126 119.914 -0.082 0.000 2.343 618 V HA -0.317 3.806 4.120 0.005 0.000 0.247 618 V C 2.356 178.440 176.094 -0.017 0.000 1.051 618 V CA 1.973 64.240 62.300 -0.055 0.000 1.036 618 V CB -0.915 30.841 31.823 -0.111 0.000 0.654 618 V HN 0.632 nan 8.190 nan 0.000 0.451 619 D N 0.240 120.619 120.400 -0.035 0.000 2.116 619 D HA -0.263 4.380 4.640 0.005 0.000 0.193 619 D C 2.119 178.432 176.300 0.022 0.000 0.998 619 D CA 1.757 55.739 54.000 -0.030 0.000 0.836 619 D CB -0.116 40.642 40.800 -0.069 0.000 0.951 619 D HN 0.272 nan 8.370 nan 0.000 0.449 620 K N 0.399 120.842 120.400 0.073 0.000 2.026 620 K HA 0.010 4.333 4.320 0.005 0.000 0.208 620 K C 1.896 178.650 176.600 0.257 0.000 1.048 620 K CA 1.612 58.001 56.287 0.171 0.000 0.929 620 K CB -0.881 31.779 32.500 0.266 0.000 0.713 620 K HN 0.152 nan 8.250 nan 0.000 0.439 621 A N 0.912 123.925 122.820 0.321 0.000 1.917 621 A HA -0.247 4.076 4.320 0.005 0.000 0.219 621 A C 2.256 179.934 177.584 0.158 0.000 1.182 621 A CA 1.892 54.121 52.037 0.319 0.000 0.633 621 A CB -0.745 18.438 19.000 0.305 0.000 0.819 621 A HN 0.512 nan 8.150 nan 0.000 0.448 622 Q N -0.200 119.656 119.800 0.092 0.000 2.050 622 Q HA -0.132 4.210 4.340 0.005 0.000 0.202 622 Q C 2.104 178.138 176.000 0.057 0.000 0.980 622 Q CA 1.674 57.509 55.803 0.052 0.000 0.840 622 Q CB -0.313 28.431 28.738 0.011 0.000 0.898 622 Q HN 0.726 nan 8.270 nan 0.000 0.424 623 L N 0.314 121.565 121.223 0.046 0.000 2.191 623 L HA -0.158 4.185 4.340 0.005 0.000 0.212 623 L C 2.238 179.153 176.870 0.075 0.000 1.103 623 L CA 0.611 55.464 54.840 0.022 0.000 0.769 623 L CB -0.253 41.799 42.059 -0.011 0.000 0.908 623 L HN 0.184 nan 8.230 nan 0.000 0.438 624 L N -0.325 120.962 121.223 0.107 0.000 2.599 624 L HA -0.008 4.335 4.340 0.005 0.000 0.230 624 L C 1.211 178.149 176.870 0.113 0.000 1.141 624 L CA 0.679 55.591 54.840 0.119 0.000 0.877 624 L CB -0.593 41.490 42.059 0.041 0.000 1.009 624 L HN 0.539 nan 8.230 nan 0.000 0.447 625 T N -3.268 111.355 114.554 0.116 0.000 4.595 625 T HA -0.233 4.120 4.350 0.005 0.000 0.311 625 T C 0.020 174.768 174.700 0.081 0.000 1.052 625 T CA 0.479 62.640 62.100 0.101 0.000 2.205 625 T CB -2.692 66.243 68.868 0.111 0.000 1.872 625 T HN 0.190 nan 8.240 nan 0.000 0.961 626 L N 2.054 123.330 121.223 0.089 0.000 2.326 626 L HA 0.617 4.960 4.340 0.005 0.000 0.278 626 L C 1.389 178.329 176.870 0.116 0.000 1.092 626 L CA -0.444 54.456 54.840 0.101 0.000 0.810 626 L CB 1.305 43.443 42.059 0.131 0.000 1.153 626 L HN 0.572 nan 8.230 nan 0.000 0.439 627 S N 1.727 117.515 115.700 0.147 0.000 2.634 627 S HA 0.345 4.818 4.470 0.005 0.000 0.261 627 S C 1.112 175.860 174.600 0.247 0.000 1.271 627 S CA -0.133 58.201 58.200 0.224 0.000 0.985 627 S CB 1.465 64.834 63.200 0.282 0.000 0.968 627 S HN 0.691 nan 8.310 nan 0.000 0.568 628 A N 1.039 124.098 122.820 0.398 0.000 1.877 628 A HA 0.095 4.418 4.320 0.005 0.000 0.216 628 A C -0.364 177.406 177.584 0.310 0.000 1.186 628 A CA 1.430 53.658 52.037 0.318 0.000 0.620 628 A CB -2.179 17.041 19.000 0.367 0.000 0.822 628 A HN 0.725 nan 8.150 nan 0.000 0.443 629 P HA -0.153 nan 4.420 nan 0.000 0.215 629 P C 1.126 178.560 177.300 0.224 0.000 1.153 629 P CA 1.538 64.802 63.100 0.274 0.000 0.853 629 P CB -0.101 31.732 31.700 0.221 0.000 0.788 630 E N -0.839 119.470 120.200 0.181 0.000 2.077 630 E HA -0.199 4.154 4.350 0.005 0.000 0.193 630 E C 2.036 178.727 176.600 0.152 0.000 0.989 630 E CA 1.113 57.584 56.400 0.118 0.000 0.800 630 E CB -0.598 29.153 29.700 0.086 0.000 0.746 630 E HN 0.224 nan 8.360 nan 0.000 0.452 631 M N 0.891 120.643 119.600 0.254 0.000 2.080 631 M HA -0.197 4.286 4.480 0.005 0.000 0.260 631 M C 2.022 178.550 176.300 0.381 0.000 1.068 631 M CA 1.765 57.315 55.300 0.417 0.000 1.109 631 M CB -0.221 32.632 32.600 0.420 0.000 1.342 631 M HN 0.008 nan 8.290 nan 0.000 0.405 632 T N 1.109 115.868 114.554 0.341 0.000 2.595 632 T HA -0.174 4.179 4.350 0.005 0.000 0.264 632 T C 1.792 176.563 174.700 0.119 0.000 1.058 632 T CA 2.496 64.751 62.100 0.259 0.000 1.166 632 T CB -1.049 68.053 68.868 0.389 0.000 0.863 632 T HN 0.546 nan 8.240 nan 0.000 0.415 633 V N 0.925 120.817 119.914 -0.036 0.000 2.332 633 V HA -0.119 4.004 4.120 0.005 0.000 0.248 633 V C 2.413 178.602 176.094 0.158 0.000 1.055 633 V CA 1.594 63.829 62.300 -0.109 0.000 1.038 633 V CB -1.334 30.236 31.823 -0.421 0.000 0.651 633 V HN 0.302 nan 8.190 nan 0.000 0.450 634 L N 0.117 121.400 121.223 0.099 0.000 2.017 634 L HA -0.077 4.266 4.340 0.005 0.000 0.208 634 L C 2.385 179.349 176.870 0.156 0.000 1.073 634 L CA 2.385 57.289 54.840 0.107 0.000 0.745 634 L CB -0.658 41.380 42.059 -0.035 0.000 0.894 634 L HN 0.408 nan 8.230 nan 0.000 0.432 635 L N -1.002 120.273 121.223 0.088 0.000 2.056 635 L HA -0.031 4.312 4.340 0.005 0.000 0.207 635 L C 2.310 178.840 176.870 -0.565 0.000 1.078 635 L CA 1.623 56.361 54.840 -0.169 0.000 0.749 635 L CB -0.935 40.918 42.059 -0.343 0.000 0.901 635 L HN 0.379 nan 8.230 nan 0.000 0.433 636 G N -0.943 107.469 108.800 -0.647 0.000 2.442 636 G HA2 -0.234 3.729 3.960 0.005 0.000 0.219 636 G HA3 -0.234 3.729 3.960 0.005 0.000 0.219 636 G C 1.427 176.081 174.900 -0.410 0.000 1.141 636 G CA 0.639 45.147 45.100 -0.987 0.000 0.763 636 G HN 0.566 nan 8.290 nan 0.000 0.554 637 G N 0.786 109.594 108.800 0.014 0.000 2.394 637 G HA2 -0.088 3.875 3.960 0.005 0.000 0.214 637 G HA3 -0.088 3.875 3.960 0.005 0.000 0.214 637 G C 1.804 176.533 174.900 -0.285 0.000 1.176 637 G CA 0.603 45.611 45.100 -0.152 0.000 0.786 637 G HN 0.403 nan 8.290 nan 0.000 0.533 638 L N -0.040 121.115 121.223 -0.114 0.000 2.042 638 L HA -0.103 4.240 4.340 0.005 0.000 0.210 638 L C 3.214 179.949 176.870 -0.224 0.000 1.076 638 L CA 0.838 55.584 54.840 -0.156 0.000 0.749 638 L CB -0.343 41.593 42.059 -0.205 0.000 0.893 638 L HN 0.076 nan 8.230 nan 0.000 0.432 639 R N 0.083 120.394 120.500 -0.315 0.000 2.080 639 R HA -0.152 4.191 4.340 0.005 0.000 0.236 639 R C 2.193 178.360 176.300 -0.223 0.000 1.137 639 R CA 1.914 57.827 56.100 -0.311 0.000 0.943 639 R CB -1.118 28.890 30.300 -0.487 0.000 0.846 639 R HN 0.468 nan 8.270 nan 0.000 0.431 640 V N -1.397 118.380 119.914 -0.229 0.000 3.217 640 V HA 0.037 4.160 4.120 0.005 0.000 0.264 640 V C 1.859 177.862 176.094 -0.151 0.000 1.135 640 V CA 1.099 63.299 62.300 -0.167 0.000 1.142 640 V CB -0.451 31.272 31.823 -0.167 0.000 0.754 640 V HN 0.112 nan 8.190 nan 0.000 0.484 641 L N 1.283 122.397 121.223 -0.182 0.000 2.592 641 L HA 0.482 4.825 4.340 0.005 0.000 0.227 641 L C 1.769 178.576 176.870 -0.105 0.000 1.127 641 L CA 0.669 55.410 54.840 -0.165 0.000 0.884 641 L CB -0.390 41.532 42.059 -0.228 0.000 1.065 641 L HN 0.601 nan 8.230 nan 0.000 0.457 642 G N 0.309 109.055 108.800 -0.090 0.000 2.182 642 G HA2 -0.293 3.670 3.960 0.005 0.000 0.248 642 G HA3 -0.293 3.670 3.960 0.005 0.000 0.248 642 G C 0.803 175.684 174.900 -0.031 0.000 1.042 642 G CA 0.293 45.363 45.100 -0.051 0.000 0.775 642 G HN 0.417 nan 8.290 nan 0.000 0.501 643 A N -0.633 122.157 122.820 -0.050 0.000 2.208 643 A HA 0.284 4.607 4.320 0.005 0.000 0.209 643 A C 1.226 178.811 177.584 0.002 0.000 1.161 643 A CA 0.651 52.676 52.037 -0.019 0.000 0.782 643 A CB -0.093 18.859 19.000 -0.080 0.000 0.816 643 A HN 0.474 nan 8.150 nan 0.000 0.477 644 N N 0.471 119.165 118.700 -0.010 0.000 2.458 644 N HA 0.184 4.927 4.740 0.005 0.000 0.258 644 N C -0.120 175.423 175.510 0.056 0.000 1.219 644 N CA 0.144 53.209 53.050 0.026 0.000 0.902 644 N CB 0.684 39.178 38.487 0.012 0.000 1.076 644 N HN 0.038 nan 8.380 nan 0.000 0.455 645 V N 1.707 121.676 119.914 0.091 0.000 2.694 645 V HA 0.099 4.222 4.120 0.005 0.000 0.306 645 V C 1.573 177.719 176.094 0.086 0.000 1.054 645 V CA 1.015 63.365 62.300 0.084 0.000 1.161 645 V CB 0.235 32.115 31.823 0.095 0.000 0.916 645 V HN 0.974 nan 8.190 nan 0.000 0.490 646 G N 3.827 112.666 108.800 0.064 0.000 2.187 646 G HA2 -0.304 3.659 3.960 0.005 0.000 0.261 646 G HA3 -0.304 3.659 3.960 0.005 0.000 0.261 646 G C 0.401 175.321 174.900 0.033 0.000 1.000 646 G CA 0.365 45.497 45.100 0.054 0.000 0.718 646 G HN 0.909 nan 8.290 nan 0.000 0.519 647 Q N -1.625 118.192 119.800 0.028 0.000 2.437 647 Q HA -0.219 4.124 4.340 0.005 0.000 0.274 647 Q C 0.942 176.938 176.000 -0.005 0.000 1.165 647 Q CA 1.414 57.224 55.803 0.012 0.000 0.925 647 Q CB -2.013 26.733 28.738 0.013 0.000 1.327 647 Q HN 1.422 nan 8.270 nan 0.000 0.505 648 S N -0.167 115.526 115.700 -0.013 0.000 2.558 648 S HA 0.020 4.493 4.470 0.005 0.000 0.291 648 S C 1.334 175.892 174.600 -0.071 0.000 1.306 648 S CA 0.046 58.201 58.200 -0.077 0.000 1.056 648 S CB 0.531 63.695 63.200 -0.059 0.000 0.836 648 S HN 0.276 nan 8.310 nan 0.000 0.504 649 R N 2.089 122.516 120.500 -0.121 0.000 2.300 649 R HA 0.072 4.415 4.340 0.005 0.000 0.199 649 R C -0.079 176.283 176.300 0.105 0.000 0.920 649 R CA 0.082 56.187 56.100 0.008 0.000 1.046 649 R CB -0.429 29.906 30.300 0.059 0.000 0.984 649 R HN 0.662 nan 8.270 nan 0.000 0.493 650 H N 0.721 119.855 119.070 0.106 0.000 3.004 650 H HA 0.093 4.652 4.556 0.005 0.000 0.316 650 H C 1.532 176.829 175.328 -0.052 0.000 1.014 650 H CA 0.897 57.015 56.048 0.116 0.000 1.454 650 H CB 0.366 30.202 29.762 0.124 0.000 1.472 650 H HN 0.425 nan 8.280 nan 0.000 0.571 651 G N 2.567 111.305 108.800 -0.103 0.000 2.189 651 G HA2 -0.302 3.661 3.960 0.005 0.000 0.267 651 G HA3 -0.302 3.661 3.960 0.005 0.000 0.267 651 G C 0.394 174.713 174.900 -0.969 0.000 0.975 651 G CA 0.347 44.938 45.100 -0.850 0.000 0.644 651 G HN 0.552 nan 8.290 nan 0.000 0.537 652 V N 1.894 121.559 119.914 -0.414 0.000 2.055 652 V HA 0.325 4.448 4.120 0.005 0.000 0.248 652 V C 0.591 176.597 176.094 -0.147 0.000 1.476 652 V CA 0.010 62.179 62.300 -0.217 0.000 1.417 652 V CB -0.843 30.959 31.823 -0.035 0.000 1.465 652 V HN 0.332 nan 8.190 nan 0.000 0.502 653 F N 2.137 121.863 119.950 -0.372 0.000 2.640 653 F HA 0.441 4.971 4.527 0.006 0.000 0.354 653 F C 0.845 176.242 175.800 -0.671 0.000 1.213 653 F CA -0.227 57.107 58.000 -1.109 0.000 1.314 653 F CB 0.438 38.701 39.000 -1.227 0.000 1.679 653 F HN 0.393 nan 8.300 nan 0.000 0.622 654 T N -0.156 114.356 114.554 -0.070 0.000 2.885 654 T HA 0.548 4.901 4.350 0.005 0.000 0.322 654 T C -0.106 174.753 174.700 0.266 0.000 1.387 654 T CA -0.179 61.987 62.100 0.110 0.000 1.041 654 T CB 1.666 70.540 68.868 0.010 0.000 1.287 654 T HN 0.249 nan 8.240 nan 0.000 0.491 655 A N 2.838 125.788 122.820 0.217 0.000 2.430 655 A HA 0.355 4.678 4.320 0.005 0.000 0.243 655 A C 0.863 178.500 177.584 0.089 0.000 1.254 655 A CA -0.221 51.913 52.037 0.161 0.000 0.914 655 A CB -0.031 19.051 19.000 0.136 0.000 0.998 655 A HN 0.667 nan 8.150 nan 0.000 0.515 656 R N 0.547 121.087 120.500 0.067 0.000 2.738 656 R HA 0.368 4.711 4.340 0.005 0.000 0.280 656 R C -0.608 175.699 176.300 0.011 0.000 1.456 656 R CA -0.408 55.712 56.100 0.034 0.000 1.612 656 R CB -0.035 30.281 30.300 0.027 0.000 1.286 656 R HN 0.343 nan 8.270 nan 0.000 0.660 657 E N 1.966 122.175 120.200 0.015 0.000 2.437 657 E HA -0.119 4.234 4.350 0.005 0.000 0.263 657 E C -0.265 176.320 176.600 -0.025 0.000 1.030 657 E CA 0.615 57.009 56.400 -0.009 0.000 0.934 657 E CB 0.464 30.167 29.700 0.004 0.000 0.943 657 E HN 0.509 nan 8.360 nan 0.000 0.444 658 Q N -1.217 118.552 119.800 -0.051 0.000 2.424 658 Q HA -0.252 4.091 4.340 0.005 0.000 0.234 658 Q C -1.052 174.911 176.000 -0.062 0.000 0.748 658 Q CA 0.634 56.400 55.803 -0.062 0.000 1.286 658 Q CB -1.753 26.960 28.738 -0.043 0.000 1.494 658 Q HN 0.486 nan 8.270 nan 0.000 0.683 659 A N 0.755 123.542 122.820 -0.054 0.000 2.330 659 A HA 0.652 4.975 4.320 0.005 0.000 0.327 659 A C -0.477 177.070 177.584 -0.062 0.000 1.155 659 A CA -0.608 51.407 52.037 -0.037 0.000 0.803 659 A CB 1.050 20.047 19.000 -0.005 0.000 1.208 659 A HN 0.187 nan 8.150 nan 0.000 0.477 660 L N 3.795 124.982 121.223 -0.059 0.000 2.385 660 L HA 0.484 4.827 4.340 0.005 0.000 0.285 660 L C 0.521 177.428 176.870 0.062 0.000 1.125 660 L CA 0.911 55.706 54.840 -0.074 0.000 0.890 660 L CB -0.361 41.599 42.059 -0.165 0.000 1.251 660 L HN 0.864 nan 8.230 nan 0.000 0.445 661 T N 0.218 114.780 114.554 0.012 0.000 2.865 661 T HA 0.397 4.750 4.350 0.005 0.000 0.294 661 T C 0.456 174.837 174.700 -0.532 0.000 1.119 661 T CA -0.497 61.557 62.100 -0.076 0.000 1.007 661 T CB 1.220 70.062 68.868 -0.043 0.000 1.225 661 T HN 0.465 nan 8.240 nan 0.000 0.515 662 N N -0.114 118.231 118.700 -0.592 0.000 2.313 662 N HA 0.063 4.806 4.740 0.005 0.000 0.207 662 N C 0.273 175.646 175.510 -0.228 0.000 1.141 662 N CA -0.111 52.516 53.050 -0.705 0.000 0.830 662 N CB -0.304 37.977 38.487 -0.344 0.000 1.008 662 N HN 0.548 nan 8.380 nan 0.000 0.481 663 D N 0.759 121.040 120.400 -0.198 0.000 2.158 663 D HA -0.184 4.459 4.640 0.005 0.000 0.197 663 D C 1.231 177.443 176.300 -0.148 0.000 0.995 663 D CA 0.742 54.676 54.000 -0.110 0.000 0.846 663 D CB -0.374 40.380 40.800 -0.076 0.000 0.941 663 D HN 0.341 nan 8.370 nan 0.000 0.456 664 F N 0.412 120.121 119.950 -0.401 0.000 2.091 664 F HA -0.276 4.254 4.527 0.005 0.000 0.299 664 F C 1.949 177.493 175.800 -0.427 0.000 1.103 664 F CA 1.583 59.280 58.000 -0.506 0.000 1.228 664 F CB -0.437 38.032 39.000 -0.885 0.000 0.984 664 F HN -0.089 nan 8.300 nan 0.000 0.477 665 F N -0.697 119.244 119.950 -0.014 0.000 2.163 665 F HA -0.115 4.415 4.527 0.005 0.000 0.297 665 F C 2.292 178.038 175.800 -0.089 0.000 1.094 665 F CA 1.135 59.114 58.000 -0.035 0.000 1.290 665 F CB -1.128 37.922 39.000 0.083 0.000 1.017 665 F HN -0.234 nan 8.300 nan 0.000 0.483 666 V N 0.439 120.402 119.914 0.082 0.000 2.295 666 V HA -0.284 3.839 4.120 0.005 0.000 0.246 666 V C 2.133 178.214 176.094 -0.022 0.000 1.049 666 V CA 1.961 64.286 62.300 0.041 0.000 1.024 666 V CB -0.638 31.207 31.823 0.037 0.000 0.648 666 V HN 0.350 nan 8.190 nan 0.000 0.447 667 N N 0.040 118.677 118.700 -0.104 0.000 2.142 667 N HA -0.113 4.630 4.740 0.005 0.000 0.186 667 N C 1.753 177.082 175.510 -0.302 0.000 1.023 667 N CA 1.291 54.236 53.050 -0.175 0.000 0.852 667 N CB -0.451 37.831 38.487 -0.341 0.000 0.998 667 N HN 0.387 nan 8.380 nan 0.000 0.424 668 L N 1.325 122.285 121.223 -0.440 0.000 2.042 668 L HA -0.062 4.281 4.340 0.005 0.000 0.210 668 L C 1.678 178.457 176.870 -0.152 0.000 1.076 668 L CA 1.513 56.093 54.840 -0.432 0.000 0.749 668 L CB -0.483 41.269 42.059 -0.513 0.000 0.893 668 L HN 0.116 nan 8.230 nan 0.000 0.432 669 L N -0.536 120.650 121.223 -0.062 0.000 2.591 669 L HA 0.082 4.425 4.340 0.005 0.000 0.228 669 L C 0.234 177.124 176.870 0.033 0.000 1.133 669 L CA -0.216 54.630 54.840 0.011 0.000 0.880 669 L CB -0.598 41.489 42.059 0.047 0.000 1.033 669 L HN 0.192 nan 8.230 nan 0.000 0.450 670 D N 0.884 121.307 120.400 0.038 0.000 2.342 670 D HA -0.027 4.616 4.640 0.005 0.000 0.260 670 D C 0.933 177.276 176.300 0.071 0.000 1.278 670 D CA -0.017 54.015 54.000 0.053 0.000 0.910 670 D CB 1.188 42.025 40.800 0.063 0.000 1.079 670 D HN -0.080 nan 8.370 nan 0.000 0.496 671 M N 3.359 122.989 119.600 0.050 0.000 2.630 671 M HA 0.138 4.621 4.480 0.005 0.000 0.254 671 M C 1.739 178.053 176.300 0.023 0.000 1.092 671 M CA 0.690 56.018 55.300 0.046 0.000 1.087 671 M CB -0.287 32.331 32.600 0.030 0.000 1.453 671 M HN 0.419 nan 8.290 nan 0.000 0.509 672 G N -0.947 107.860 108.800 0.012 0.000 2.598 672 G HA2 -0.048 3.915 3.960 0.005 0.000 0.215 672 G HA3 -0.048 3.915 3.960 0.005 0.000 0.215 672 G C 0.388 175.258 174.900 -0.050 0.000 1.131 672 G CA 0.510 45.600 45.100 -0.016 0.000 0.785 672 G HN 0.455 nan 8.290 nan 0.000 0.539 673 T N 0.249 114.776 114.554 -0.044 0.000 2.794 673 T HA 0.460 4.813 4.350 0.005 0.000 0.280 673 T C -0.618 173.976 174.700 -0.176 0.000 0.987 673 T CA -0.454 61.546 62.100 -0.166 0.000 0.993 673 T CB 2.449 71.203 68.868 -0.190 0.000 0.939 673 T HN 0.282 nan 8.240 nan 0.000 0.449 674 E N 2.226 122.260 120.200 -0.276 0.000 2.179 674 E HA 0.402 4.755 4.350 0.005 0.000 0.275 674 E C -1.407 174.992 176.600 -0.335 0.000 0.945 674 E CA -0.859 55.441 56.400 -0.167 0.000 0.792 674 E CB 1.060 30.712 29.700 -0.081 0.000 1.125 674 E HN 0.561 nan 8.360 nan 0.000 0.397 675 W N 3.231 124.545 121.300 0.024 0.000 2.632 675 W HA 0.480 5.143 4.660 0.004 0.000 0.328 675 W C -0.372 176.220 176.519 0.120 0.000 1.044 675 W CA -0.649 56.738 57.345 0.069 0.000 1.225 675 W CB 1.641 31.115 29.460 0.023 0.000 1.396 675 W HN 0.296 nan 8.180 nan 0.000 0.499 676 K N 3.438 124.069 120.400 0.385 0.000 2.502 676 K HA 0.419 4.742 4.320 0.005 0.000 0.257 676 K C -2.643 174.152 176.600 0.324 0.000 0.938 676 K CA -1.956 54.520 56.287 0.315 0.000 0.819 676 K CB 2.665 35.251 32.500 0.144 0.000 1.333 676 K HN 0.039 nan 8.250 nan 0.000 0.434 677 P HA -0.024 nan 4.420 nan 0.000 0.271 677 P C -0.346 176.867 177.300 -0.145 0.000 1.218 677 P CA -0.219 62.709 63.100 -0.287 0.000 0.780 677 P CB 0.466 31.964 31.700 -0.336 0.000 0.901 678 T N -1.154 113.285 114.554 -0.192 0.000 2.898 678 T HA 0.320 4.673 4.350 0.005 0.000 0.301 678 T C 1.552 176.200 174.700 -0.087 0.000 1.049 678 T CA -0.022 62.023 62.100 -0.093 0.000 1.095 678 T CB 0.530 69.357 68.868 -0.068 0.000 0.976 678 T HN 0.409 nan 8.240 nan 0.000 0.539 679 A N 2.201 124.993 122.820 -0.047 0.000 1.908 679 A HA 0.151 4.474 4.320 0.005 0.000 0.218 679 A C 2.604 180.164 177.584 -0.041 0.000 1.181 679 A CA 1.742 53.756 52.037 -0.037 0.000 0.627 679 A CB -1.429 17.558 19.000 -0.021 0.000 0.818 679 A HN 1.279 nan 8.150 nan 0.000 0.445 680 A N -1.984 120.813 122.820 -0.037 0.000 2.067 680 A HA 0.163 4.486 4.320 0.005 0.000 0.217 680 A C 0.674 178.230 177.584 -0.046 0.000 1.156 680 A CA 1.321 53.339 52.037 -0.031 0.000 0.683 680 A CB 0.038 19.029 19.000 -0.016 0.000 0.808 680 A HN 0.380 nan 8.150 nan 0.000 0.455 681 D N -2.108 118.246 120.400 -0.076 0.000 2.365 681 D HA 0.476 5.119 4.640 0.005 0.000 0.235 681 D C 0.433 176.617 176.300 -0.194 0.000 1.368 681 D CA 0.315 54.252 54.000 -0.104 0.000 1.001 681 D CB 1.080 41.833 40.800 -0.078 0.000 1.364 681 D HN 0.020 nan 8.370 nan 0.000 0.577 682 A N 2.782 125.489 122.820 -0.187 0.000 2.178 682 A HA -0.086 4.237 4.320 0.005 0.000 0.218 682 A C 1.114 178.437 177.584 -0.436 0.000 1.157 682 A CA 1.000 52.875 52.037 -0.269 0.000 0.689 682 A CB 0.124 19.044 19.000 -0.133 0.000 0.787 682 A HN 0.446 nan 8.150 nan 0.000 0.465 683 D N -0.864 119.351 120.400 -0.308 0.000 2.369 683 D HA 0.209 4.852 4.640 0.005 0.000 0.211 683 D C -0.175 175.982 176.300 -0.238 0.000 1.077 683 D CA 0.268 54.147 54.000 -0.202 0.000 0.842 683 D CB 0.609 41.383 40.800 -0.042 0.000 0.947 683 D HN 0.164 nan 8.370 nan 0.000 0.509 684 V N 1.221 120.891 119.914 -0.406 0.000 2.513 684 V HA 0.410 4.533 4.120 0.005 0.000 0.299 684 V C -0.526 175.300 176.094 -0.446 0.000 1.035 684 V CA -0.669 61.447 62.300 -0.308 0.000 0.889 684 V CB 1.538 33.237 31.823 -0.206 0.000 0.988 684 V HN -0.151 nan 8.190 nan 0.000 0.440 685 F N 1.582 121.563 119.950 0.050 0.000 2.546 685 F HA 0.565 5.095 4.527 0.005 0.000 0.320 685 F C 0.319 176.307 175.800 0.314 0.000 1.076 685 F CA -0.751 57.370 58.000 0.203 0.000 0.928 685 F CB 1.863 41.020 39.000 0.261 0.000 1.189 685 F HN 0.389 nan 8.300 nan 0.000 0.465 686 E N 0.787 121.236 120.200 0.415 0.000 2.158 686 E HA 0.520 4.873 4.350 0.005 0.000 0.271 686 E C -0.360 176.219 176.600 -0.035 0.000 0.911 686 E CA -0.714 55.808 56.400 0.204 0.000 0.767 686 E CB 1.921 31.669 29.700 0.079 0.000 1.120 686 E HN 0.804 nan 8.360 nan 0.000 0.405 687 G N 3.390 111.901 108.800 -0.482 0.000 2.415 687 G HA2 0.391 4.354 3.960 0.005 0.000 0.317 687 G HA3 0.391 4.354 3.960 0.005 0.000 0.317 687 G C -0.356 174.136 174.900 -0.680 0.000 1.152 687 G CA -0.453 43.831 45.100 -1.360 0.000 0.956 687 G HN 0.340 nan 8.290 nan 0.000 0.458 688 R N 1.953 122.137 120.500 -0.527 0.000 2.637 688 R HA 0.222 4.565 4.340 0.005 0.000 0.291 688 R C -0.582 175.548 176.300 -0.283 0.000 0.963 688 R CA -0.916 54.989 56.100 -0.324 0.000 0.901 688 R CB 1.967 32.144 30.300 -0.206 0.000 1.160 688 R HN 0.562 nan 8.270 nan 0.000 0.457 689 D N 2.198 122.458 120.400 -0.233 0.000 2.581 689 D HA -0.106 4.537 4.640 0.005 0.000 0.238 689 D C 0.718 176.941 176.300 -0.127 0.000 1.145 689 D CA 0.725 54.624 54.000 -0.168 0.000 0.866 689 D CB 0.774 41.487 40.800 -0.145 0.000 1.151 689 D HN 0.443 nan 8.370 nan 0.000 0.500 690 R N 2.880 123.318 120.500 -0.103 0.000 2.096 690 R HA -0.156 4.186 4.340 0.005 0.000 0.235 690 R C 1.910 178.175 176.300 -0.058 0.000 1.127 690 R CA 1.544 57.600 56.100 -0.073 0.000 0.968 690 R CB -0.010 30.260 30.300 -0.051 0.000 0.861 690 R HN 0.517 nan 8.270 nan 0.000 0.440 691 A N 0.078 122.863 122.820 -0.058 0.000 1.861 691 A HA -0.106 4.217 4.320 0.005 0.000 0.212 691 A C 2.199 179.753 177.584 -0.051 0.000 1.199 691 A CA 1.684 53.693 52.037 -0.047 0.000 0.613 691 A CB -0.568 18.406 19.000 -0.042 0.000 0.846 691 A HN 0.441 nan 8.150 nan 0.000 0.446 692 T N -4.891 109.626 114.554 -0.062 0.000 3.044 692 T HA 0.381 4.734 4.350 0.005 0.000 0.255 692 T C 1.522 176.182 174.700 -0.067 0.000 1.073 692 T CA 1.317 63.380 62.100 -0.062 0.000 1.125 692 T CB 0.078 68.904 68.868 -0.069 0.000 0.908 692 T HN 1.759 nan 8.240 nan 0.000 0.480 693 G N 1.234 109.985 108.800 -0.082 0.000 2.176 693 G HA2 -0.261 3.702 3.960 0.005 0.000 0.253 693 G HA3 -0.261 3.702 3.960 0.005 0.000 0.253 693 G C -0.153 174.687 174.900 -0.101 0.000 0.979 693 G CA 0.263 45.311 45.100 -0.086 0.000 0.641 693 G HN 0.867 nan 8.290 nan 0.000 0.530 694 E N 0.171 120.303 120.200 -0.113 0.000 2.414 694 E HA 0.320 4.673 4.350 0.005 0.000 0.263 694 E C 0.418 176.913 176.600 -0.175 0.000 1.000 694 E CA -0.740 55.582 56.400 -0.130 0.000 0.914 694 E CB 0.315 29.935 29.700 -0.134 0.000 0.948 694 E HN 0.328 nan 8.360 nan 0.000 0.444 695 L N 5.368 126.493 121.223 -0.163 0.000 2.418 695 L HA 0.058 4.401 4.340 0.005 0.000 0.274 695 L C 0.611 177.311 176.870 -0.284 0.000 1.135 695 L CA 0.813 55.539 54.840 -0.191 0.000 0.870 695 L CB 0.556 42.546 42.059 -0.116 0.000 1.154 695 L HN 0.601 nan 8.230 nan 0.000 0.462 696 K N 3.488 123.637 120.400 -0.418 0.000 2.262 696 K HA 0.207 4.530 4.320 0.005 0.000 0.200 696 K C -0.755 175.345 176.600 -0.833 0.000 1.058 696 K CA 0.695 56.512 56.287 -0.784 0.000 0.974 696 K CB 0.338 32.264 32.500 -0.956 0.000 0.910 696 K HN 0.601 nan 8.250 nan 0.000 0.484 697 W N 0.096 121.321 121.300 -0.124 0.000 3.025 697 W HA 0.268 4.931 4.660 0.004 0.000 0.343 697 W C -0.731 175.893 176.519 0.176 0.000 1.246 697 W CA -1.018 56.377 57.345 0.083 0.000 1.178 697 W CB 0.815 30.356 29.460 0.136 0.000 1.463 697 W HN -0.201 nan 8.180 nan 0.000 0.578 698 T N -0.838 114.140 114.554 0.706 0.000 2.906 698 T HA 0.941 5.294 4.350 0.005 0.000 0.295 698 T C -0.488 174.687 174.700 0.792 0.000 1.075 698 T CA -0.578 61.928 62.100 0.677 0.000 1.005 698 T CB 1.993 71.202 68.868 0.567 0.000 1.136 698 T HN 1.059 nan 8.240 nan 0.000 0.498 699 G N 0.440 109.576 108.800 0.560 0.000 2.660 699 G HA2 0.656 4.619 3.960 0.005 0.000 0.290 699 G HA3 0.656 4.619 3.960 0.005 0.000 0.290 699 G C -0.468 174.532 174.900 0.167 0.000 1.432 699 G CA -0.282 45.033 45.100 0.358 0.000 0.807 699 G HN 1.103 nan 8.290 nan 0.000 0.485 700 T N -2.201 112.424 114.554 0.119 0.000 2.893 700 T HA 0.408 4.761 4.350 0.005 0.000 0.279 700 T C 1.383 176.185 174.700 0.170 0.000 0.991 700 T CA -0.561 61.629 62.100 0.149 0.000 0.950 700 T CB 1.686 70.603 68.868 0.083 0.000 1.223 700 T HN 0.461 nan 8.240 nan 0.000 0.585 701 R N -0.427 120.190 120.500 0.195 0.000 2.127 701 R HA -0.038 4.305 4.340 0.005 0.000 0.238 701 R C 2.289 178.578 176.300 -0.018 0.000 1.134 701 R CA 1.069 57.202 56.100 0.056 0.000 0.975 701 R CB -0.942 29.420 30.300 0.104 0.000 0.865 701 R HN 0.459 nan 8.270 nan 0.000 0.447 702 V N 1.588 121.517 119.914 0.026 0.000 2.358 702 V HA -0.232 3.891 4.120 0.005 0.000 0.246 702 V C 1.667 177.855 176.094 0.156 0.000 1.047 702 V CA 1.861 64.181 62.300 0.033 0.000 1.035 702 V CB -0.390 31.442 31.823 0.015 0.000 0.658 702 V HN 0.284 nan 8.190 nan 0.000 0.452 703 D N 0.224 120.708 120.400 0.141 0.000 2.084 703 D HA -0.119 4.524 4.640 0.005 0.000 0.194 703 D C 2.118 178.543 176.300 0.207 0.000 0.990 703 D CA 1.275 55.419 54.000 0.241 0.000 0.826 703 D CB -0.212 40.676 40.800 0.147 0.000 0.971 703 D HN 0.305 nan 8.370 nan 0.000 0.453 704 L N 0.869 122.047 121.223 -0.075 0.000 2.376 704 L HA -0.038 4.305 4.340 0.005 0.000 0.219 704 L C 2.519 179.262 176.870 -0.212 0.000 1.133 704 L CA 0.209 54.863 54.840 -0.309 0.000 0.816 704 L CB -0.223 41.450 42.059 -0.643 0.000 0.933 704 L HN -0.064 nan 8.230 nan 0.000 0.449 705 V N -0.003 119.822 119.914 -0.148 0.000 2.469 705 V HA -0.290 3.833 4.120 0.005 0.000 0.251 705 V C 2.183 178.164 176.094 -0.189 0.000 1.064 705 V CA 1.786 63.962 62.300 -0.208 0.000 1.066 705 V CB -0.384 31.260 31.823 -0.299 0.000 0.667 705 V HN 0.270 nan 8.190 nan 0.000 0.461 706 F N 0.831 120.787 119.950 0.010 0.000 2.451 706 F HA 0.091 4.620 4.527 0.005 0.000 0.299 706 F C 2.170 178.001 175.800 0.052 0.000 1.101 706 F CA 1.192 59.252 58.000 0.100 0.000 1.436 706 F CB -0.517 38.637 39.000 0.256 0.000 1.074 706 F HN 0.306 nan 8.300 nan 0.000 0.553 707 G N -2.121 106.723 108.800 0.072 0.000 3.088 707 G HA2 0.041 4.004 3.960 0.005 0.000 0.217 707 G HA3 0.041 4.004 3.960 0.005 0.000 0.217 707 G C 1.375 176.227 174.900 -0.081 0.000 1.159 707 G CA 0.737 45.814 45.100 -0.039 0.000 0.760 707 G HN 0.338 nan 8.290 nan 0.000 0.550 708 S N -0.974 114.677 115.700 -0.082 0.000 2.979 708 S HA 0.122 4.595 4.470 0.005 0.000 0.243 708 S C 0.750 175.300 174.600 -0.083 0.000 1.036 708 S CA -0.364 57.772 58.200 -0.106 0.000 0.846 708 S CB -0.314 62.795 63.200 -0.151 0.000 0.806 708 S HN 0.316 nan 8.310 nan 0.000 0.568 709 H N 2.787 121.771 119.070 -0.143 0.000 3.004 709 H HA 0.127 4.686 4.556 0.005 0.000 0.316 709 H C 1.508 176.781 175.328 -0.092 0.000 1.014 709 H CA 1.013 56.982 56.048 -0.132 0.000 1.454 709 H CB 1.210 30.878 29.762 -0.157 0.000 1.472 709 H HN 0.540 nan 8.280 nan 0.000 0.571 710 S N 2.816 118.300 115.700 -0.360 0.000 2.402 710 S HA -0.201 4.272 4.470 0.005 0.000 0.229 710 S C 1.881 176.472 174.600 -0.015 0.000 1.021 710 S CA 1.192 59.288 58.200 -0.173 0.000 0.974 710 S CB -0.053 63.003 63.200 -0.241 0.000 0.800 710 S HN 0.784 nan 8.310 nan 0.000 0.484 711 Q N 0.825 120.687 119.800 0.103 0.000 2.096 711 Q HA 0.109 4.452 4.340 0.005 0.000 0.197 711 Q C 2.201 178.337 176.000 0.226 0.000 0.964 711 Q CA 1.003 56.928 55.803 0.203 0.000 0.838 711 Q CB -0.221 28.684 28.738 0.278 0.000 0.906 711 Q HN 0.590 nan 8.270 nan 0.000 0.444 712 L N 0.230 121.630 121.223 0.296 0.000 2.083 712 L HA -0.164 4.179 4.340 0.005 0.000 0.209 712 L C 2.761 179.781 176.870 0.251 0.000 1.083 712 L CA 1.274 56.229 54.840 0.193 0.000 0.752 712 L CB -0.458 41.572 42.059 -0.049 0.000 0.899 712 L HN 0.250 nan 8.230 nan 0.000 0.433 713 R N 0.343 120.954 120.500 0.184 0.000 2.120 713 R HA -0.155 4.188 4.340 0.005 0.000 0.234 713 R C 2.331 178.706 176.300 0.125 0.000 1.123 713 R CA 1.238 57.431 56.100 0.155 0.000 0.975 713 R CB -0.154 30.191 30.300 0.075 0.000 0.866 713 R HN 0.337 nan 8.270 nan 0.000 0.446 714 A N 1.050 123.928 122.820 0.098 0.000 1.902 714 A HA -0.138 4.185 4.320 0.005 0.000 0.217 714 A C 2.135 179.757 177.584 0.062 0.000 1.181 714 A CA 1.202 53.275 52.037 0.061 0.000 0.623 714 A CB -0.466 18.561 19.000 0.046 0.000 0.818 714 A HN 0.326 nan 8.150 nan 0.000 0.443 715 L N -0.960 120.335 121.223 0.120 0.000 2.056 715 L HA -0.153 4.190 4.340 0.005 0.000 0.207 715 L C 3.095 180.044 176.870 0.131 0.000 1.078 715 L CA 1.043 55.964 54.840 0.136 0.000 0.749 715 L CB -0.673 41.531 42.059 0.242 0.000 0.901 715 L HN 0.420 nan 8.230 nan 0.000 0.433 716 A N 0.079 123.028 122.820 0.214 0.000 1.933 716 A HA -0.222 4.101 4.320 0.005 0.000 0.218 716 A C 2.148 179.783 177.584 0.086 0.000 1.175 716 A CA 1.645 53.806 52.037 0.206 0.000 0.628 716 A CB -0.442 18.849 19.000 0.486 0.000 0.814 716 A HN 0.462 nan 8.150 nan 0.000 0.444 717 E N -0.373 119.870 120.200 0.073 0.000 2.085 717 E HA -0.143 4.210 4.350 0.005 0.000 0.194 717 E C 1.972 178.544 176.600 -0.047 0.000 0.994 717 E CA 1.314 57.729 56.400 0.025 0.000 0.801 717 E CB -0.323 29.389 29.700 0.020 0.000 0.743 717 E HN 0.420 nan 8.360 nan 0.000 0.453 718 V N 0.448 120.281 119.914 -0.134 0.000 2.255 718 V HA -0.287 3.836 4.120 0.005 0.000 0.247 718 V C 1.844 177.741 176.094 -0.328 0.000 1.051 718 V CA 1.920 64.051 62.300 -0.281 0.000 1.018 718 V CB -0.612 30.938 31.823 -0.456 0.000 0.641 718 V HN 0.330 nan 8.190 nan 0.000 0.445 719 Y N 0.438 120.618 120.300 -0.201 0.000 2.516 719 Y HA 0.105 4.659 4.550 0.006 0.000 0.291 719 Y C 2.306 178.132 175.900 -0.123 0.000 1.131 719 Y CA 0.726 58.672 58.100 -0.255 0.000 1.281 719 Y CB -0.223 37.793 38.460 -0.740 0.000 1.013 719 Y HN 0.330 nan 8.280 nan 0.000 0.554 720 G N -0.969 107.873 108.800 0.071 0.000 3.284 720 G HA2 0.068 4.031 3.960 0.005 0.000 0.236 720 G HA3 0.068 4.031 3.960 0.005 0.000 0.236 720 G C 0.145 175.090 174.900 0.075 0.000 1.158 720 G CA -0.174 45.012 45.100 0.144 0.000 0.774 720 G HN 0.054 nan 8.290 nan 0.000 0.545 721 S N -0.218 115.504 115.700 0.037 0.000 2.617 721 S HA 0.478 4.951 4.470 0.005 0.000 0.269 721 S C 1.639 176.262 174.600 0.038 0.000 1.292 721 S CA 0.009 58.224 58.200 0.024 0.000 1.010 721 S CB 1.703 64.899 63.200 -0.007 0.000 0.944 721 S HN 0.326 nan 8.310 nan 0.000 0.536 722 A N 1.515 124.355 122.820 0.032 0.000 2.019 722 A HA -0.129 4.194 4.320 0.005 0.000 0.219 722 A C 1.500 179.110 177.584 0.043 0.000 1.164 722 A CA 1.660 53.719 52.037 0.037 0.000 0.644 722 A CB -0.510 18.506 19.000 0.028 0.000 0.805 722 A HN 0.855 nan 8.150 nan 0.000 0.449 723 D N -1.126 119.295 120.400 0.036 0.000 2.328 723 D HA 0.352 4.995 4.640 0.005 0.000 0.221 723 D C 0.871 177.204 176.300 0.056 0.000 1.072 723 D CA 0.723 54.747 54.000 0.040 0.000 0.850 723 D CB -0.051 40.761 40.800 0.021 0.000 0.922 723 D HN 0.279 nan 8.370 nan 0.000 0.516 724 A N -0.011 122.854 122.820 0.075 0.000 2.430 724 A HA 0.119 4.441 4.320 0.005 0.000 0.243 724 A C 1.874 179.580 177.584 0.203 0.000 1.254 724 A CA 0.055 52.159 52.037 0.111 0.000 0.914 724 A CB 0.044 19.091 19.000 0.080 0.000 0.998 724 A HN 0.129 nan 8.150 nan 0.000 0.515 725 Q N 1.060 120.971 119.800 0.185 0.000 2.050 725 Q HA -0.189 4.154 4.340 0.005 0.000 0.202 725 Q C 1.454 177.599 176.000 0.242 0.000 0.980 725 Q CA 2.539 58.484 55.803 0.237 0.000 0.840 725 Q CB -0.261 28.609 28.738 0.220 0.000 0.898 725 Q HN 0.658 nan 8.270 nan 0.000 0.424 726 E N 0.439 120.765 120.200 0.210 0.000 2.031 726 E HA -0.198 4.155 4.350 0.005 0.000 0.193 726 E C 1.840 178.508 176.600 0.113 0.000 0.994 726 E CA 1.551 58.041 56.400 0.151 0.000 0.800 726 E CB -0.243 29.548 29.700 0.151 0.000 0.752 726 E HN 0.378 nan 8.360 nan 0.000 0.447 727 K N 0.190 120.678 120.400 0.147 0.000 2.063 727 K HA -0.215 4.108 4.320 0.005 0.000 0.208 727 K C 2.071 178.817 176.600 0.243 0.000 1.048 727 K CA 1.383 57.765 56.287 0.158 0.000 0.928 727 K CB -0.283 32.293 32.500 0.127 0.000 0.713 727 K HN 0.126 nan 8.250 nan 0.000 0.442 728 F N 1.420 121.503 119.950 0.221 0.000 2.065 728 F HA -0.251 4.279 4.527 0.004 0.000 0.298 728 F C 1.844 177.690 175.800 0.077 0.000 1.112 728 F CA 1.642 59.758 58.000 0.194 0.000 1.212 728 F CB -0.592 38.512 39.000 0.172 0.000 0.975 728 F HN -0.173 nan 8.300 nan 0.000 0.476 729 V N 1.342 121.181 119.914 -0.124 0.000 2.287 729 V HA -0.296 3.826 4.120 0.005 0.000 0.248 729 V C 2.677 178.660 176.094 -0.184 0.000 1.053 729 V CA 2.205 64.343 62.300 -0.269 0.000 1.027 729 V CB -0.654 30.971 31.823 -0.330 0.000 0.646 729 V HN 0.295 nan 8.190 nan 0.000 0.447 730 R N 0.058 120.507 120.500 -0.084 0.000 2.075 730 R HA -0.109 4.234 4.340 0.005 0.000 0.232 730 R C 1.947 178.225 176.300 -0.036 0.000 1.126 730 R CA 1.456 57.536 56.100 -0.032 0.000 0.963 730 R CB -1.006 29.299 30.300 0.009 0.000 0.858 730 R HN 0.516 nan 8.270 nan 0.000 0.435 731 D N 0.279 120.656 120.400 -0.038 0.000 2.144 731 D HA -0.144 4.499 4.640 0.005 0.000 0.199 731 D C 1.631 177.849 176.300 -0.136 0.000 0.984 731 D CA 0.768 54.745 54.000 -0.038 0.000 0.834 731 D CB -0.341 40.505 40.800 0.076 0.000 0.955 731 D HN 0.120 nan 8.370 nan 0.000 0.465 732 F N 1.181 120.892 119.950 -0.398 0.000 2.113 732 F HA -0.196 4.334 4.527 0.004 0.000 0.297 732 F C 2.175 177.886 175.800 -0.148 0.000 1.103 732 F CA 1.000 58.769 58.000 -0.386 0.000 1.248 732 F CB -0.230 38.362 39.000 -0.679 0.000 0.999 732 F HN -0.216 nan 8.300 nan 0.000 0.475 733 V N 0.772 120.686 119.914 0.001 0.000 2.332 733 V HA -0.348 3.775 4.120 0.005 0.000 0.248 733 V C 2.746 178.830 176.094 -0.017 0.000 1.055 733 V CA 1.839 64.154 62.300 0.025 0.000 1.038 733 V CB -1.660 30.194 31.823 0.051 0.000 0.651 733 V HN 0.512 nan 8.190 nan 0.000 0.450 734 A N -0.495 122.295 122.820 -0.051 0.000 1.877 734 A HA -0.199 4.124 4.320 0.005 0.000 0.216 734 A C 2.481 180.010 177.584 -0.091 0.000 1.186 734 A CA 2.202 54.210 52.037 -0.050 0.000 0.620 734 A CB -0.852 18.127 19.000 -0.035 0.000 0.822 734 A HN 0.354 nan 8.150 nan 0.000 0.443 735 V N -0.584 119.241 119.914 -0.149 0.000 2.427 735 V HA -0.191 3.932 4.120 0.005 0.000 0.248 735 V C 2.066 178.035 176.094 -0.209 0.000 1.051 735 V CA 2.012 64.206 62.300 -0.177 0.000 1.048 735 V CB -0.493 31.223 31.823 -0.179 0.000 0.666 735 V HN 0.793 nan 8.190 nan 0.000 0.456 736 W N 1.060 122.065 121.300 -0.491 0.000 2.335 736 W HA -0.296 4.366 4.660 0.003 0.000 0.311 736 W C 2.263 178.666 176.519 -0.193 0.000 1.213 736 W CA 2.260 59.363 57.345 -0.403 0.000 1.274 736 W CB -0.591 28.578 29.460 -0.485 0.000 1.148 736 W HN 0.503 nan 8.180 nan 0.000 0.498 737 N N 1.015 119.666 118.700 -0.082 0.000 2.120 737 N HA -0.254 4.489 4.740 0.005 0.000 0.188 737 N C 1.923 177.302 175.510 -0.218 0.000 1.024 737 N CA 2.477 55.453 53.050 -0.124 0.000 0.852 737 N CB -0.721 37.757 38.487 -0.016 0.000 1.003 737 N HN 0.149 nan 8.380 nan 0.000 0.424 738 K N -0.054 120.229 120.400 -0.195 0.000 2.020 738 K HA -0.127 4.196 4.320 0.005 0.000 0.212 738 K C 1.700 178.125 176.600 -0.293 0.000 1.050 738 K CA 1.646 57.804 56.287 -0.215 0.000 0.929 738 K CB -0.248 32.157 32.500 -0.158 0.000 0.714 738 K HN 0.063 nan 8.250 nan 0.000 0.443 739 V N 1.492 121.211 119.914 -0.324 0.000 2.343 739 V HA -0.270 3.853 4.120 0.005 0.000 0.247 739 V C 2.467 178.282 176.094 -0.465 0.000 1.051 739 V CA 1.583 63.652 62.300 -0.384 0.000 1.036 739 V CB -0.400 31.213 31.823 -0.350 0.000 0.654 739 V HN 0.420 nan 8.190 nan 0.000 0.451 740 M N 0.297 119.582 119.600 -0.524 0.000 2.267 740 M HA -0.111 4.372 4.480 0.005 0.000 0.263 740 M C 1.356 177.442 176.300 -0.355 0.000 1.063 740 M CA 1.418 56.450 55.300 -0.445 0.000 1.090 740 M CB -1.242 31.114 32.600 -0.407 0.000 1.392 740 M HN 0.395 nan 8.290 nan 0.000 0.422 741 N N 0.057 118.536 118.700 -0.368 0.000 2.230 741 N HA 0.199 4.942 4.740 0.005 0.000 0.202 741 N C 1.550 176.751 175.510 -0.516 0.000 1.119 741 N CA 0.082 52.903 53.050 -0.382 0.000 0.851 741 N CB 0.177 38.472 38.487 -0.319 0.000 0.990 741 N HN 0.341 nan 8.380 nan 0.000 0.497 742 L N 0.708 121.556 121.223 -0.624 0.000 2.079 742 L HA -0.179 4.164 4.340 0.005 0.000 0.210 742 L C 1.257 177.329 176.870 -1.330 0.000 1.081 742 L CA 1.335 55.580 54.840 -0.991 0.000 0.752 742 L CB -0.182 41.150 42.059 -1.213 0.000 0.896 742 L HN 0.130 nan 8.230 nan 0.000 0.433 743 D N -1.636 118.219 120.400 -0.909 0.000 2.342 743 D HA -0.059 4.584 4.640 0.005 0.000 0.221 743 D C 0.839 176.839 176.300 -0.499 0.000 1.101 743 D CA -0.073 53.602 54.000 -0.542 0.000 0.837 743 D CB -0.037 40.748 40.800 -0.027 0.000 0.938 743 D HN 0.001 nan 8.370 nan 0.000 0.508 744 R N 0.762 120.875 120.500 -0.645 0.000 4.609 744 R HA 0.188 4.531 4.340 0.005 0.000 0.235 744 R C 0.220 176.285 176.300 -0.391 0.000 1.836 744 R CA -0.367 55.489 56.100 -0.407 0.000 1.564 744 R CB -1.341 28.751 30.300 -0.346 0.000 1.382 744 R HN 0.269 nan 8.270 nan 0.000 0.776 745 F N 0.950 120.844 119.950 -0.094 0.000 2.365 745 F HA -0.168 4.361 4.527 0.004 0.000 0.300 745 F C 2.081 177.843 175.800 -0.064 0.000 1.090 745 F CA 1.003 58.966 58.000 -0.062 0.000 1.408 745 F CB 0.026 39.008 39.000 -0.029 0.000 1.060 745 F HN 0.256 nan 8.300 nan 0.000 0.534 746 D N 0.710 121.144 120.400 0.058 0.000 2.351 746 D HA -0.173 4.470 4.640 0.005 0.000 0.216 746 D C 1.517 177.793 176.300 -0.039 0.000 0.968 746 D CA 1.154 55.152 54.000 -0.003 0.000 0.899 746 D CB -0.401 40.378 40.800 -0.035 0.000 0.907 746 D HN 0.365 nan 8.370 nan 0.000 0.514 747 L N -0.398 120.783 121.223 -0.069 0.000 2.731 747 L HA 0.365 4.708 4.340 0.005 0.000 0.240 747 L C 1.454 178.284 176.870 -0.067 0.000 1.120 747 L CA -0.329 54.459 54.840 -0.086 0.000 0.913 747 L CB 0.217 42.194 42.059 -0.135 0.000 1.213 747 L HN -0.052 nan 8.230 nan 0.000 0.515 748 A N 0.000 122.798 122.820 -0.037 0.000 2.254 748 A HA 0.000 4.323 4.320 0.005 0.000 0.244 748 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 748 A CB 0.000 19.044 19.000 0.074 0.000 0.831 748 A HN 0.000 nan 8.150 nan 0.000 0.486