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 1gc5_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKESLKDRIR LWKRLYVNAF ENALNAIPNV KGVLLAYNTN IDAIKYLDAD DATA SEQUENCE DLEKRVTEKG KEKVFEIIEN PPEKISSIEE LLGGILRSIK LGKAMEWFVE DATA SEQUENCE SEEVRRYLRE WGWDELRIGG QAGIMANLLG GVYRIPTIVH VPQNPKLQAE DATA SEQUENCE LFVDGPIYVP VFEGNKLKLV HPKDAIAEEE ELIHYIYEFP RGFQVFDVQA DATA SEQUENCE PRENRFIANA DDYNARVYMR REFREGFEEI TRNVELAIIS GLQVLKEYYP DATA SEQUENCE DGTTYKDVLD RVESHLNILN RYNVKSHFEF AYTANRRVRE ALVELLPKFT DATA SEQUENCE SVGLNEVELA SIMEIIGDEE LAKEVLEGHI FSVIDAMNVL MDETGIERIH DATA SEQUENCE FHTYGYYLAL TQYRGEEVRD ALLFASLAAA AKAMKGNLER IEQIRDALSV DATA SEQUENCE PTNERAIVLE EELEKEFTEF ENGLIDMVDR QLAFVPTKIV ASPKSTVGIG DATA SEQUENCE DTISSSAFVS EFGMRKR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.302 176.300 0.003 0.000 1.140 1 M CA 0.000 55.301 55.300 0.002 0.000 0.988 1 M CB 0.000 32.600 32.600 0.001 0.000 1.302 2 K N 2.898 123.301 120.400 0.004 0.000 2.440 2 K HA 0.102 4.420 4.320 -0.002 0.000 0.270 2 K C -0.796 175.809 176.600 0.007 0.000 0.980 2 K CA 0.783 57.074 56.287 0.006 0.000 0.953 2 K CB 0.669 33.173 32.500 0.006 0.000 0.925 2 K HN 0.620 nan 8.250 nan 0.000 0.497 3 E N 2.337 122.545 120.200 0.012 0.000 2.432 3 E HA 0.034 4.383 4.350 -0.002 0.000 0.272 3 E C -0.983 175.632 176.600 0.026 0.000 0.937 3 E CA -0.300 56.110 56.400 0.016 0.000 0.812 3 E CB 1.561 31.270 29.700 0.016 0.000 1.377 3 E HN 0.777 nan 8.360 nan 0.000 0.399 4 S N 2.528 118.243 115.700 0.025 0.000 2.563 4 S HA -0.031 4.437 4.470 -0.002 0.000 0.284 4 S C 1.318 175.944 174.600 0.044 0.000 1.331 4 S CA -0.496 57.722 58.200 0.030 0.000 1.047 4 S CB 0.674 63.889 63.200 0.025 0.000 0.859 4 S HN 0.498 nan 8.310 nan 0.000 0.514 5 L N 2.553 123.804 121.223 0.047 0.000 2.127 5 L HA 0.002 4.341 4.340 -0.002 0.000 0.211 5 L C 2.179 179.090 176.870 0.068 0.000 1.089 5 L CA 1.834 56.712 54.840 0.063 0.000 0.757 5 L CB -1.335 40.755 42.059 0.051 0.000 0.899 5 L HN 0.880 nan 8.230 nan 0.000 0.434 6 K N -0.826 119.605 120.400 0.051 0.000 2.155 6 K HA -0.098 4.220 4.320 -0.002 0.000 0.203 6 K C 1.686 178.319 176.600 0.054 0.000 1.052 6 K CA 1.150 57.467 56.287 0.049 0.000 0.948 6 K CB -0.031 32.490 32.500 0.034 0.000 0.728 6 K HN 0.309 nan 8.250 nan 0.000 0.448 7 D N 0.499 120.928 120.400 0.048 0.000 2.149 7 D HA -0.060 4.579 4.640 -0.002 0.000 0.201 7 D C 1.867 178.201 176.300 0.056 0.000 0.972 7 D CA 0.948 54.972 54.000 0.040 0.000 0.835 7 D CB 0.104 40.919 40.800 0.025 0.000 0.966 7 D HN 0.104 nan 8.370 nan 0.000 0.476 8 R N 0.273 120.825 120.500 0.086 0.000 2.081 8 R HA -0.014 4.325 4.340 -0.002 0.000 0.235 8 R C 2.488 178.940 176.300 0.253 0.000 1.131 8 R CA 0.704 56.892 56.100 0.148 0.000 0.960 8 R CB -0.219 30.195 30.300 0.190 0.000 0.856 8 R HN 0.227 nan 8.270 nan 0.000 0.436 9 I N 0.364 121.056 120.570 0.202 0.000 2.361 9 I HA -0.254 3.915 4.170 -0.002 0.000 0.251 9 I C 2.410 178.636 176.117 0.181 0.000 1.133 9 I CA 1.245 62.669 61.300 0.207 0.000 1.413 9 I CB -0.183 37.887 38.000 0.117 0.000 1.073 9 I HN 0.140 nan 8.210 nan 0.000 0.424 10 R N 0.340 120.910 120.500 0.117 0.000 2.073 10 R HA -0.129 4.210 4.340 -0.002 0.000 0.229 10 R C 2.372 178.718 176.300 0.076 0.000 1.120 10 R CA 1.204 57.353 56.100 0.082 0.000 0.967 10 R CB -0.481 29.847 30.300 0.047 0.000 0.862 10 R HN 0.279 nan 8.270 nan 0.000 0.436 11 L N -0.271 120.975 121.223 0.037 0.000 2.046 11 L HA -0.124 4.214 4.340 -0.002 0.000 0.208 11 L C 1.708 178.527 176.870 -0.086 0.000 1.077 11 L CA 1.711 56.506 54.840 -0.074 0.000 0.747 11 L CB -0.363 41.587 42.059 -0.182 0.000 0.896 11 L HN 0.156 nan 8.230 nan 0.000 0.432 12 W N 0.258 121.612 121.300 0.091 0.000 2.467 12 W HA -0.074 4.585 4.660 -0.002 0.000 0.275 12 W C 2.486 179.146 176.519 0.234 0.000 1.239 12 W CA 0.854 58.289 57.345 0.150 0.000 1.266 12 W CB 0.021 29.593 29.460 0.186 0.000 1.112 12 W HN 0.056 nan 8.180 nan 0.000 0.576 13 K N 0.226 120.834 120.400 0.347 0.000 2.026 13 K HA -0.145 4.173 4.320 -0.002 0.000 0.208 13 K C 2.036 178.766 176.600 0.216 0.000 1.048 13 K CA 1.479 57.913 56.287 0.245 0.000 0.929 13 K CB -0.219 32.358 32.500 0.128 0.000 0.713 13 K HN 0.065 nan 8.250 nan 0.000 0.439 14 R N 0.511 121.094 120.500 0.138 0.000 2.075 14 R HA -0.060 4.279 4.340 -0.002 0.000 0.232 14 R C 2.372 178.733 176.300 0.102 0.000 1.126 14 R CA 1.072 57.226 56.100 0.091 0.000 0.963 14 R CB -0.466 29.852 30.300 0.030 0.000 0.858 14 R HN 0.179 nan 8.270 nan 0.000 0.435 15 L N -0.417 120.856 121.223 0.084 0.000 2.012 15 L HA -0.232 4.107 4.340 -0.002 0.000 0.210 15 L C 2.334 179.284 176.870 0.133 0.000 1.073 15 L CA 1.626 56.495 54.840 0.047 0.000 0.748 15 L CB -0.606 41.417 42.059 -0.060 0.000 0.891 15 L HN 0.166 nan 8.230 nan 0.000 0.431 16 Y N 0.012 120.427 120.300 0.193 0.000 2.081 16 Y HA -0.296 4.252 4.550 -0.002 0.000 0.280 16 Y C 2.653 178.659 175.900 0.176 0.000 1.163 16 Y CA 2.144 60.355 58.100 0.185 0.000 1.135 16 Y CB -0.465 38.081 38.460 0.143 0.000 0.970 16 Y HN 0.104 nan 8.280 nan 0.000 0.498 17 V N -1.864 118.230 119.914 0.300 0.000 2.626 17 V HA -0.250 3.868 4.120 -0.002 0.000 0.252 17 V C 1.428 177.668 176.094 0.244 0.000 1.067 17 V CA 2.300 64.743 62.300 0.238 0.000 1.081 17 V CB -0.785 31.126 31.823 0.148 0.000 0.686 17 V HN 0.430 nan 8.190 nan 0.000 0.468 18 N N 0.981 119.787 118.700 0.176 0.000 2.207 18 N HA 0.049 4.788 4.740 -0.002 0.000 0.182 18 N C 2.087 177.670 175.510 0.121 0.000 1.020 18 N CA 1.102 54.224 53.050 0.120 0.000 0.858 18 N CB -0.282 38.245 38.487 0.065 0.000 0.991 18 N HN 0.586 nan 8.380 nan 0.000 0.427 19 A N 1.325 124.229 122.820 0.140 0.000 1.883 19 A HA -0.210 4.109 4.320 -0.002 0.000 0.217 19 A C 1.961 179.653 177.584 0.180 0.000 1.186 19 A CA 1.210 53.323 52.037 0.126 0.000 0.624 19 A CB -1.041 18.034 19.000 0.126 0.000 0.822 19 A HN 0.376 nan 8.150 nan 0.000 0.444 20 F N 0.676 120.729 119.950 0.171 0.000 2.065 20 F HA -0.225 4.301 4.527 -0.002 0.000 0.298 20 F C 2.207 178.056 175.800 0.083 0.000 1.112 20 F CA 2.491 60.629 58.000 0.230 0.000 1.212 20 F CB -0.448 38.694 39.000 0.237 0.000 0.975 20 F HN 0.322 nan 8.300 nan 0.000 0.476 21 E N 0.113 120.374 120.200 0.101 0.000 2.110 21 E HA -0.208 4.140 4.350 -0.002 0.000 0.193 21 E C 1.961 178.472 176.600 -0.149 0.000 0.988 21 E CA 1.420 57.793 56.400 -0.045 0.000 0.804 21 E CB -0.250 29.494 29.700 0.073 0.000 0.745 21 E HN 0.332 nan 8.360 nan 0.000 0.458 22 N N -0.194 118.442 118.700 -0.106 0.000 2.120 22 N HA -0.112 4.627 4.740 -0.002 0.000 0.188 22 N C 1.466 176.822 175.510 -0.257 0.000 1.024 22 N CA 1.318 54.285 53.050 -0.139 0.000 0.852 22 N CB -0.369 38.068 38.487 -0.084 0.000 1.003 22 N HN 0.201 nan 8.380 nan 0.000 0.424 23 A N 0.954 123.543 122.820 -0.385 0.000 1.898 23 A HA -0.011 4.308 4.320 -0.002 0.000 0.216 23 A C 2.301 179.460 177.584 -0.707 0.000 1.181 23 A CA 0.748 52.371 52.037 -0.690 0.000 0.620 23 A CB -0.690 17.548 19.000 -1.270 0.000 0.819 23 A HN 0.219 nan 8.150 nan 0.000 0.442 24 L N -0.529 120.300 121.223 -0.656 0.000 2.131 24 L HA -0.226 4.113 4.340 -0.002 0.000 0.210 24 L C 2.091 178.773 176.870 -0.312 0.000 1.092 24 L CA 1.804 56.344 54.840 -0.499 0.000 0.759 24 L CB -0.611 41.151 42.059 -0.494 0.000 0.903 24 L HN 0.547 nan 8.230 nan 0.000 0.435 25 N N -0.767 117.774 118.700 -0.266 0.000 2.376 25 N HA -0.037 4.702 4.740 -0.002 0.000 0.177 25 N C 1.804 177.207 175.510 -0.179 0.000 1.024 25 N CA 0.787 53.729 53.050 -0.180 0.000 0.893 25 N CB 0.072 38.475 38.487 -0.139 0.000 0.980 25 N HN 0.256 nan 8.380 nan 0.000 0.439 26 A N 1.006 123.689 122.820 -0.228 0.000 1.935 26 A HA 0.044 4.363 4.320 -0.002 0.000 0.214 26 A C 1.939 179.402 177.584 -0.201 0.000 1.178 26 A CA 0.382 52.293 52.037 -0.209 0.000 0.640 26 A CB -0.239 18.623 19.000 -0.230 0.000 0.825 26 A HN 0.091 nan 8.150 nan 0.000 0.447 27 I N 0.547 120.962 120.570 -0.258 0.000 2.185 27 I HA -0.210 3.958 4.170 -0.002 0.000 0.246 27 I C -0.672 175.384 176.117 -0.102 0.000 1.088 27 I CA 1.769 62.944 61.300 -0.208 0.000 1.347 27 I CB -2.249 35.582 38.000 -0.280 0.000 1.041 27 I HN 0.194 nan 8.210 nan 0.000 0.415 28 P HA -0.085 nan 4.420 nan 0.000 0.229 28 P C 0.992 178.269 177.300 -0.038 0.000 1.150 28 P CA 1.079 64.149 63.100 -0.049 0.000 0.765 28 P CB -0.159 31.509 31.700 -0.053 0.000 0.783 29 N N -1.280 117.385 118.700 -0.057 0.000 2.422 29 N HA -0.001 4.738 4.740 -0.002 0.000 0.181 29 N C 0.006 175.518 175.510 0.004 0.000 1.080 29 N CA 0.313 53.333 53.050 -0.051 0.000 0.893 29 N CB -0.178 38.245 38.487 -0.107 0.000 0.973 29 N HN 0.017 nan 8.380 nan 0.000 0.456 30 V N 1.879 121.819 119.914 0.043 0.000 2.427 30 V HA 0.090 4.209 4.120 -0.002 0.000 0.268 30 V C 1.311 177.455 176.094 0.083 0.000 1.046 30 V CA -0.216 62.162 62.300 0.130 0.000 0.970 30 V CB 1.176 33.071 31.823 0.121 0.000 1.001 30 V HN 0.072 nan 8.190 nan 0.000 0.476 31 K N 3.267 123.720 120.400 0.090 0.000 2.148 31 K HA 0.180 4.498 4.320 -0.002 0.000 0.204 31 K C 0.904 177.521 176.600 0.029 0.000 1.050 31 K CA 1.048 57.362 56.287 0.046 0.000 0.942 31 K CB 0.146 32.669 32.500 0.038 0.000 0.724 31 K HN 0.916 nan 8.250 nan 0.000 0.446 32 G N -0.450 108.363 108.800 0.022 0.000 2.442 32 G HA2 0.371 4.330 3.960 -0.002 0.000 0.296 32 G HA3 0.371 4.330 3.960 -0.002 0.000 0.296 32 G C -1.855 173.044 174.900 -0.000 0.000 1.564 32 G CA -0.868 44.242 45.100 0.017 0.000 0.828 32 G HN -0.111 nan 8.290 nan 0.000 0.571 33 V N 0.878 120.810 119.914 0.029 0.000 2.638 33 V HA 0.689 4.807 4.120 -0.002 0.000 0.306 33 V C -0.511 175.618 176.094 0.058 0.000 1.052 33 V CA -0.853 61.472 62.300 0.042 0.000 0.885 33 V CB 1.675 33.546 31.823 0.080 0.000 0.999 33 V HN 1.018 nan 8.190 nan 0.000 0.424 34 L N 5.981 127.238 121.223 0.057 0.000 2.272 34 L HA 0.663 5.002 4.340 -0.002 0.000 0.289 34 L C -0.921 176.017 176.870 0.112 0.000 1.032 34 L CA 0.191 55.078 54.840 0.080 0.000 0.810 34 L CB 0.954 43.034 42.059 0.035 0.000 1.205 34 L HN 0.584 nan 8.230 nan 0.000 0.422 35 L N 6.196 127.490 121.223 0.119 0.000 2.265 35 L HA 0.799 5.138 4.340 -0.002 0.000 0.289 35 L C 0.059 176.957 176.870 0.047 0.000 1.033 35 L CA -0.492 54.397 54.840 0.082 0.000 0.814 35 L CB 1.333 43.441 42.059 0.081 0.000 1.203 35 L HN 0.834 nan 8.230 nan 0.000 0.423 36 A N 3.060 125.830 122.820 -0.085 0.000 2.342 36 A HA 0.759 5.077 4.320 -0.002 0.000 0.323 36 A C -0.232 177.056 177.584 -0.494 0.000 1.125 36 A CA -0.242 51.567 52.037 -0.379 0.000 0.785 36 A CB 0.601 19.184 19.000 -0.694 0.000 1.221 36 A HN 0.910 nan 8.150 nan 0.000 0.463 37 Y N 0.073 120.346 120.300 -0.045 0.000 2.783 37 Y HA -0.352 4.196 4.550 -0.002 0.000 0.472 37 Y C 0.908 176.941 175.900 0.222 0.000 1.205 37 Y CA 1.233 59.336 58.100 0.006 0.000 2.641 37 Y CB -1.252 37.179 38.460 -0.049 0.000 1.133 37 Y HN 0.859 nan 8.280 nan 0.000 0.595 38 N N 3.070 121.916 118.700 0.243 0.000 2.420 38 N HA 0.451 5.189 4.740 -0.002 0.000 0.249 38 N C -1.202 174.338 175.510 0.050 0.000 1.033 38 N CA 0.334 53.469 53.050 0.142 0.000 0.944 38 N CB 1.707 40.253 38.487 0.099 0.000 1.113 38 N HN 0.325 nan 8.380 nan 0.000 0.502 39 T N 1.674 116.239 114.554 0.019 0.000 2.916 39 T HA 0.607 4.956 4.350 -0.002 0.000 0.298 39 T C -0.638 173.996 174.700 -0.110 0.000 1.031 39 T CA -0.708 61.364 62.100 -0.047 0.000 0.993 39 T CB 1.132 70.010 68.868 0.017 0.000 1.045 39 T HN 0.868 nan 8.240 nan 0.000 0.454 40 N N 1.299 119.871 118.700 -0.214 0.000 3.517 40 N HA 0.567 5.306 4.740 -0.002 0.000 0.329 40 N C -1.768 173.542 175.510 -0.333 0.000 1.569 40 N CA -0.970 51.927 53.050 -0.255 0.000 0.852 40 N CB 0.719 39.023 38.487 -0.303 0.000 1.955 40 N HN 0.442 nan 8.380 nan 0.000 0.555 41 I N -0.297 120.067 120.570 -0.343 0.000 2.441 41 I HA 0.379 4.548 4.170 -0.002 0.000 0.295 41 I C -1.079 174.776 176.117 -0.438 0.000 0.994 41 I CA -0.618 60.445 61.300 -0.395 0.000 1.144 41 I CB 1.600 39.358 38.000 -0.403 0.000 1.314 41 I HN 0.405 nan 8.210 nan 0.000 0.445 42 D N 5.205 125.338 120.400 -0.445 0.000 2.414 42 D HA 0.476 5.115 4.640 -0.002 0.000 0.232 42 D C -0.489 175.513 176.300 -0.496 0.000 1.070 42 D CA -0.114 53.636 54.000 -0.416 0.000 0.839 42 D CB 1.898 42.491 40.800 -0.344 0.000 1.079 42 D HN 0.541 nan 8.370 nan 0.000 0.521 43 A N 3.654 126.132 122.820 -0.570 0.000 2.294 43 A HA 0.524 4.843 4.320 -0.002 0.000 0.316 43 A C -0.010 177.337 177.584 -0.395 0.000 1.359 43 A CA -0.509 51.158 52.037 -0.617 0.000 0.956 43 A CB -0.135 18.428 19.000 -0.728 0.000 1.155 43 A HN 0.562 nan 8.150 nan 0.000 0.544 44 I N 2.121 122.473 120.570 -0.363 0.000 2.353 44 I HA 0.347 4.516 4.170 -0.002 0.000 0.293 44 I C 0.313 176.144 176.117 -0.478 0.000 0.992 44 I CA -0.211 60.810 61.300 -0.463 0.000 1.268 44 I CB 1.662 39.355 38.000 -0.512 0.000 1.387 44 I HN 0.655 nan 8.210 nan 0.000 0.478 45 K N 6.555 126.598 120.400 -0.594 0.000 2.483 45 K HA 0.367 4.686 4.320 -0.002 0.000 0.256 45 K C -1.562 174.799 176.600 -0.399 0.000 0.961 45 K CA -0.512 55.516 56.287 -0.433 0.000 0.873 45 K CB 0.684 32.937 32.500 -0.411 0.000 1.107 45 K HN 0.393 nan 8.250 nan 0.000 0.432 46 Y N 4.752 125.019 120.300 -0.055 0.000 2.585 46 Y HA 0.123 4.671 4.550 -0.002 0.000 0.354 46 Y C 0.229 176.132 175.900 0.004 0.000 1.024 46 Y CA -0.880 57.193 58.100 -0.045 0.000 1.321 46 Y CB 0.325 38.770 38.460 -0.025 0.000 1.151 46 Y HN 0.432 nan 8.280 nan 0.000 0.525 47 L N 3.805 125.068 121.223 0.067 0.000 2.615 47 L HA -0.143 4.196 4.340 -0.002 0.000 0.284 47 L C 0.051 177.088 176.870 0.279 0.000 1.237 47 L CA 0.598 55.488 54.840 0.083 0.000 0.905 47 L CB -0.094 41.837 42.059 -0.214 0.000 1.149 47 L HN 0.624 nan 8.230 nan 0.000 0.499 48 D N 2.629 123.285 120.400 0.425 0.000 2.481 48 D HA 0.536 5.174 4.640 -0.002 0.000 0.246 48 D C 0.789 177.314 176.300 0.374 0.000 1.109 48 D CA 0.069 54.317 54.000 0.413 0.000 0.845 48 D CB 1.507 42.463 40.800 0.259 0.000 1.160 48 D HN 0.593 nan 8.370 nan 0.000 0.534 49 A N 4.102 127.043 122.820 0.202 0.000 1.870 49 A HA -0.303 4.016 4.320 -0.002 0.000 0.219 49 A C 1.735 179.261 177.584 -0.097 0.000 1.224 49 A CA 2.079 54.015 52.037 -0.169 0.000 0.650 49 A CB -0.710 18.045 19.000 -0.408 0.000 0.836 49 A HN 0.778 nan 8.150 nan 0.000 0.454 50 D N -0.731 119.641 120.400 -0.047 0.000 2.116 50 D HA -0.195 4.444 4.640 -0.002 0.000 0.193 50 D C 1.666 177.974 176.300 0.013 0.000 0.998 50 D CA 1.903 55.885 54.000 -0.030 0.000 0.836 50 D CB -0.451 40.347 40.800 -0.004 0.000 0.951 50 D HN 0.602 nan 8.370 nan 0.000 0.449 51 D N 0.217 120.664 120.400 0.079 0.000 2.084 51 D HA -0.148 4.491 4.640 -0.002 0.000 0.194 51 D C 2.056 178.413 176.300 0.094 0.000 0.990 51 D CA 0.464 54.528 54.000 0.108 0.000 0.826 51 D CB -0.202 40.730 40.800 0.220 0.000 0.971 51 D HN 0.004 nan 8.370 nan 0.000 0.453 52 L N 0.691 122.010 121.223 0.160 0.000 2.083 52 L HA -0.066 4.273 4.340 -0.002 0.000 0.209 52 L C 2.050 178.979 176.870 0.099 0.000 1.083 52 L CA 1.730 56.664 54.840 0.157 0.000 0.752 52 L CB -0.868 41.332 42.059 0.234 0.000 0.899 52 L HN 0.021 nan 8.230 nan 0.000 0.433 53 E N -0.328 119.835 120.200 -0.063 0.000 2.001 53 E HA -0.250 4.099 4.350 -0.002 0.000 0.195 53 E C 2.177 178.897 176.600 0.201 0.000 1.002 53 E CA 1.542 57.898 56.400 -0.074 0.000 0.819 53 E CB -0.101 29.469 29.700 -0.218 0.000 0.769 53 E HN 0.194 nan 8.360 nan 0.000 0.454 54 K N 0.090 120.537 120.400 0.078 0.000 2.127 54 K HA -0.163 4.156 4.320 -0.002 0.000 0.208 54 K C 2.161 178.787 176.600 0.044 0.000 1.047 54 K CA 1.485 57.806 56.287 0.056 0.000 0.927 54 K CB -0.141 32.367 32.500 0.013 0.000 0.716 54 K HN -0.003 nan 8.250 nan 0.000 0.450 55 R N -0.460 120.050 120.500 0.017 0.000 2.075 55 R HA -0.043 4.296 4.340 -0.002 0.000 0.232 55 R C 2.092 178.400 176.300 0.013 0.000 1.126 55 R CA 1.143 57.210 56.100 -0.054 0.000 0.963 55 R CB -0.151 30.014 30.300 -0.226 0.000 0.858 55 R HN -0.009 nan 8.270 nan 0.000 0.435 56 V N 0.590 120.594 119.914 0.151 0.000 2.307 56 V HA -0.256 3.862 4.120 -0.002 0.000 0.245 56 V C 2.558 178.666 176.094 0.022 0.000 1.045 56 V CA 2.256 64.629 62.300 0.121 0.000 1.024 56 V CB -0.826 31.170 31.823 0.288 0.000 0.651 56 V HN 0.589 nan 8.190 nan 0.000 0.449 57 T N -1.501 113.098 114.554 0.076 0.000 2.665 57 T HA -0.323 4.026 4.350 -0.002 0.000 0.268 57 T C 1.661 176.353 174.700 -0.014 0.000 1.035 57 T CA 2.027 64.129 62.100 0.004 0.000 1.151 57 T CB -0.475 68.427 68.868 0.057 0.000 0.862 57 T HN 0.551 nan 8.240 nan 0.000 0.438 58 E N 1.086 121.286 120.200 0.000 0.000 2.045 58 E HA -0.219 4.129 4.350 -0.002 0.000 0.212 58 E C 2.475 179.058 176.600 -0.028 0.000 1.039 58 E CA 1.740 58.131 56.400 -0.014 0.000 0.860 58 E CB -0.049 29.643 29.700 -0.014 0.000 0.776 58 E HN 0.472 nan 8.360 nan 0.000 0.467 59 K N -0.926 119.449 120.400 -0.041 0.000 2.103 59 K HA -0.079 4.240 4.320 -0.002 0.000 0.207 59 K C 0.791 177.361 176.600 -0.051 0.000 1.048 59 K CA 1.159 57.413 56.287 -0.055 0.000 0.930 59 K CB -0.129 32.318 32.500 -0.087 0.000 0.716 59 K HN 0.359 nan 8.250 nan 0.000 0.444 60 G N 2.429 111.196 108.800 -0.055 0.000 3.152 60 G HA2 -0.121 3.837 3.960 -0.002 0.000 0.666 60 G HA3 -0.121 3.837 3.960 -0.002 0.000 0.666 60 G C -0.078 174.776 174.900 -0.077 0.000 1.205 60 G CA -0.229 44.831 45.100 -0.066 0.000 1.178 60 G HN 0.226 nan 8.290 nan 0.000 0.510 61 K N 0.797 121.119 120.400 -0.129 0.000 2.699 61 K HA -0.031 4.287 4.320 -0.002 0.000 0.197 61 K C 1.117 177.672 176.600 -0.076 0.000 1.017 61 K CA 1.345 57.553 56.287 -0.132 0.000 1.006 61 K CB 0.293 32.523 32.500 -0.451 0.000 0.819 61 K HN 0.683 nan 8.250 nan 0.000 0.493 62 E N 2.079 122.236 120.200 -0.072 0.000 2.012 62 E HA -0.079 4.270 4.350 -0.002 0.000 0.192 62 E C 1.635 178.246 176.600 0.018 0.000 0.977 62 E CA 0.766 57.135 56.400 -0.052 0.000 0.832 62 E CB -0.039 29.627 29.700 -0.057 0.000 0.790 62 E HN 0.296 nan 8.360 nan 0.000 0.466 63 K N 1.006 121.407 120.400 0.003 0.000 2.074 63 K HA -0.151 4.168 4.320 -0.002 0.000 0.209 63 K C 2.311 178.929 176.600 0.031 0.000 1.048 63 K CA 1.400 57.694 56.287 0.013 0.000 0.926 63 K CB -0.449 32.047 32.500 -0.006 0.000 0.713 63 K HN -0.025 nan 8.250 nan 0.000 0.444 64 V N 1.037 120.968 119.914 0.028 0.000 2.278 64 V HA -0.264 3.854 4.120 -0.002 0.000 0.251 64 V C 2.060 178.147 176.094 -0.013 0.000 1.062 64 V CA 1.908 64.209 62.300 0.001 0.000 1.038 64 V CB -0.603 31.218 31.823 -0.004 0.000 0.646 64 V HN 0.170 nan 8.190 nan 0.000 0.447 65 F N 0.198 120.082 119.950 -0.110 0.000 2.558 65 F HA -0.007 4.519 4.527 -0.002 0.000 0.298 65 F C 2.350 178.125 175.800 -0.042 0.000 1.119 65 F CA 0.927 58.876 58.000 -0.085 0.000 1.451 65 F CB -0.347 38.585 39.000 -0.113 0.000 1.091 65 F HN 0.252 nan 8.300 nan 0.000 0.563 66 E N -0.279 119.988 120.200 0.111 0.000 2.208 66 E HA -0.128 4.221 4.350 -0.002 0.000 0.193 66 E C 2.152 178.779 176.600 0.045 0.000 0.988 66 E CA 0.575 57.015 56.400 0.066 0.000 0.828 66 E CB 0.012 29.740 29.700 0.046 0.000 0.763 66 E HN 0.301 nan 8.360 nan 0.000 0.478 67 I N 1.515 122.104 120.570 0.032 0.000 2.439 67 I HA -0.191 3.977 4.170 -0.002 0.000 0.251 67 I C 2.212 178.365 176.117 0.059 0.000 1.139 67 I CA 0.795 62.129 61.300 0.057 0.000 1.438 67 I CB -0.637 37.397 38.000 0.057 0.000 1.085 67 I HN 0.132 nan 8.210 nan 0.000 0.427 68 I N 0.654 121.210 120.570 -0.024 0.000 2.208 68 I HA -0.238 3.931 4.170 -0.002 0.000 0.245 68 I C 2.342 178.476 176.117 0.028 0.000 1.097 68 I CA 1.502 62.777 61.300 -0.041 0.000 1.363 68 I CB -1.335 36.578 38.000 -0.146 0.000 1.051 68 I HN 0.166 nan 8.210 nan 0.000 0.413 69 E N 0.924 121.145 120.200 0.035 0.000 2.122 69 E HA 0.006 4.354 4.350 -0.002 0.000 0.190 69 E C 0.499 177.129 176.600 0.049 0.000 0.977 69 E CA 0.527 56.953 56.400 0.044 0.000 0.820 69 E CB -0.059 29.666 29.700 0.041 0.000 0.770 69 E HN 0.399 nan 8.360 nan 0.000 0.462 70 N N 1.726 120.456 118.700 0.050 0.000 2.990 70 N HA 0.185 4.923 4.740 -0.002 0.000 0.288 70 N C -2.633 172.906 175.510 0.048 0.000 1.624 70 N CA -1.231 51.842 53.050 0.039 0.000 0.961 70 N CB 1.019 39.521 38.487 0.025 0.000 1.259 70 N HN 0.055 nan 8.380 nan 0.000 0.489 71 P HA 0.158 nan 4.420 nan 0.000 0.267 71 P C -2.276 174.932 177.300 -0.153 0.000 1.205 71 P CA -0.573 62.583 63.100 0.094 0.000 0.765 71 P CB 0.421 32.271 31.700 0.251 0.000 0.828 72 P HA 0.266 nan 4.420 nan 0.000 0.279 72 P C 0.903 177.872 177.300 -0.552 0.000 1.276 72 P CA -0.315 62.606 63.100 -0.299 0.000 0.801 72 P CB 1.221 32.840 31.700 -0.135 0.000 1.127 73 E N -0.137 119.865 120.200 -0.329 0.000 1.999 73 E HA -0.078 4.270 4.350 -0.002 0.000 0.194 73 E C 0.521 176.919 176.600 -0.336 0.000 0.995 73 E CA 1.434 57.648 56.400 -0.311 0.000 0.825 73 E CB 0.034 29.651 29.700 -0.140 0.000 0.777 73 E HN 0.327 nan 8.360 nan 0.000 0.459 74 K N -0.041 120.298 120.400 -0.101 0.000 2.288 74 K HA 0.394 4.713 4.320 -0.002 0.000 0.234 74 K C -0.269 176.435 176.600 0.173 0.000 1.037 74 K CA -0.742 55.602 56.287 0.095 0.000 0.914 74 K CB 1.085 33.711 32.500 0.210 0.000 1.197 74 K HN 0.079 nan 8.250 nan 0.000 0.471 75 I N 1.955 122.702 120.570 0.295 0.000 2.291 75 I HA -0.016 4.153 4.170 -0.002 0.000 0.290 75 I C 0.735 176.952 176.117 0.166 0.000 1.050 75 I CA 0.116 61.589 61.300 0.289 0.000 1.245 75 I CB 0.781 38.982 38.000 0.334 0.000 1.405 75 I HN 0.615 nan 8.210 nan 0.000 0.478 76 S N 2.170 117.944 115.700 0.125 0.000 2.559 76 S HA 0.232 4.701 4.470 -0.002 0.000 0.226 76 S C 0.416 175.049 174.600 0.054 0.000 1.000 76 S CA -0.354 57.898 58.200 0.087 0.000 0.948 76 S CB 0.117 63.362 63.200 0.075 0.000 0.870 76 S HN 0.603 nan 8.310 nan 0.000 0.497 77 S N 0.122 115.848 115.700 0.045 0.000 2.607 77 S HA 0.644 5.113 4.470 -0.002 0.000 0.273 77 S C 0.158 174.723 174.600 -0.059 0.000 1.148 77 S CA -0.887 57.310 58.200 -0.006 0.000 0.833 77 S CB 0.473 63.671 63.200 -0.003 0.000 1.130 77 S HN -0.019 nan 8.310 nan 0.000 0.470 78 I N 1.090 121.568 120.570 -0.153 0.000 2.928 78 I HA 0.124 4.293 4.170 -0.002 0.000 0.266 78 I C 2.101 178.070 176.117 -0.247 0.000 1.234 78 I CA 0.980 62.081 61.300 -0.331 0.000 1.483 78 I CB -0.816 36.860 38.000 -0.540 0.000 1.097 78 I HN 0.694 nan 8.210 nan 0.000 0.455 79 E N 1.026 121.146 120.200 -0.134 0.000 2.046 79 E HA -0.145 4.203 4.350 -0.002 0.000 0.190 79 E C 2.068 178.639 176.600 -0.049 0.000 0.982 79 E CA 0.975 57.322 56.400 -0.089 0.000 0.800 79 E CB -0.208 29.464 29.700 -0.046 0.000 0.756 79 E HN 0.479 nan 8.360 nan 0.000 0.449 80 E N 0.187 120.395 120.200 0.014 0.000 2.204 80 E HA -0.177 4.172 4.350 -0.002 0.000 0.195 80 E C 1.943 178.609 176.600 0.109 0.000 0.990 80 E CA 0.686 57.168 56.400 0.135 0.000 0.821 80 E CB -0.037 29.780 29.700 0.195 0.000 0.750 80 E HN 0.138 nan 8.360 nan 0.000 0.477 81 L N 0.326 121.547 121.223 -0.003 0.000 2.044 81 L HA -0.085 4.254 4.340 -0.002 0.000 0.205 81 L C 1.874 178.587 176.870 -0.261 0.000 1.075 81 L CA 1.532 56.331 54.840 -0.069 0.000 0.747 81 L CB -0.181 41.864 42.059 -0.023 0.000 0.903 81 L HN 0.060 nan 8.230 nan 0.000 0.435 82 L N -0.363 120.737 121.223 -0.204 0.000 2.109 82 L HA 0.031 4.369 4.340 -0.002 0.000 0.207 82 L C 2.579 179.294 176.870 -0.259 0.000 1.086 82 L CA 0.966 55.686 54.840 -0.199 0.000 0.760 82 L CB -1.421 40.557 42.059 -0.135 0.000 0.910 82 L HN 0.453 nan 8.230 nan 0.000 0.437 83 G N -0.015 108.654 108.800 -0.218 0.000 2.432 83 G HA2 -0.172 3.786 3.960 -0.002 0.000 0.219 83 G HA3 -0.172 3.786 3.960 -0.002 0.000 0.219 83 G C 1.585 176.287 174.900 -0.331 0.000 1.135 83 G CA 0.745 45.714 45.100 -0.218 0.000 0.767 83 G HN 0.475 nan 8.290 nan 0.000 0.550 84 G N 0.849 109.320 108.800 -0.549 0.000 2.403 84 G HA2 -0.074 3.885 3.960 -0.002 0.000 0.216 84 G HA3 -0.074 3.885 3.960 -0.002 0.000 0.216 84 G C 1.739 175.805 174.900 -1.390 0.000 1.154 84 G CA 0.650 45.041 45.100 -1.182 0.000 0.784 84 G HN 0.427 nan 8.290 nan 0.000 0.538 85 I N 0.454 120.304 120.570 -1.201 0.000 2.202 85 I HA -0.108 4.060 4.170 -0.002 0.000 0.242 85 I C 2.705 178.597 176.117 -0.376 0.000 1.091 85 I CA 0.659 61.490 61.300 -0.782 0.000 1.368 85 I CB -0.167 37.569 38.000 -0.439 0.000 1.058 85 I HN 0.104 nan 8.210 nan 0.000 0.410 86 L N 0.317 121.348 121.223 -0.321 0.000 2.012 86 L HA -0.253 4.086 4.340 -0.002 0.000 0.210 86 L C 2.791 179.515 176.870 -0.243 0.000 1.073 86 L CA 1.702 56.399 54.840 -0.238 0.000 0.748 86 L CB -0.728 41.169 42.059 -0.270 0.000 0.891 86 L HN 0.286 nan 8.230 nan 0.000 0.431 87 R N 0.406 120.757 120.500 -0.247 0.000 2.103 87 R HA -0.219 4.120 4.340 -0.002 0.000 0.242 87 R C 2.465 178.715 176.300 -0.084 0.000 1.142 87 R CA 2.008 58.025 56.100 -0.138 0.000 0.960 87 R CB -0.477 29.782 30.300 -0.068 0.000 0.858 87 R HN 0.326 nan 8.270 nan 0.000 0.439 88 S N -0.119 115.531 115.700 -0.084 0.000 2.423 88 S HA -0.053 4.416 4.470 -0.002 0.000 0.231 88 S C 1.963 176.545 174.600 -0.030 0.000 1.014 88 S CA 1.039 59.293 58.200 0.090 0.000 0.965 88 S CB -0.241 63.138 63.200 0.298 0.000 0.785 88 S HN 0.455 nan 8.310 nan 0.000 0.495 89 I N 0.813 121.180 120.570 -0.339 0.000 2.333 89 I HA -0.067 4.101 4.170 -0.002 0.000 0.246 89 I C 2.567 178.473 176.117 -0.352 0.000 1.106 89 I CA 1.075 61.914 61.300 -0.768 0.000 1.411 89 I CB -0.471 37.178 38.000 -0.585 0.000 1.082 89 I HN 0.385 nan 8.210 nan 0.000 0.420 90 K N 1.934 122.221 120.400 -0.189 0.000 1.978 90 K HA -0.133 4.186 4.320 -0.002 0.000 0.221 90 K C 2.006 178.577 176.600 -0.049 0.000 1.036 90 K CA 1.497 57.727 56.287 -0.095 0.000 0.996 90 K CB -0.346 32.112 32.500 -0.069 0.000 0.755 90 K HN 0.116 nan 8.250 nan 0.000 0.445 91 L N 0.274 121.490 121.223 -0.013 0.000 2.456 91 L HA -0.075 4.264 4.340 -0.002 0.000 0.225 91 L C 1.445 178.338 176.870 0.038 0.000 1.142 91 L CA 0.882 55.735 54.840 0.022 0.000 0.796 91 L CB -1.322 40.764 42.059 0.046 0.000 0.920 91 L HN 0.823 nan 8.230 nan 0.000 0.446 92 G N 1.337 110.157 108.800 0.033 0.000 2.233 92 G HA2 -0.342 3.617 3.960 -0.002 0.000 0.270 92 G HA3 -0.342 3.617 3.960 -0.002 0.000 0.270 92 G C 0.259 175.261 174.900 0.171 0.000 1.011 92 G CA 1.004 46.172 45.100 0.113 0.000 0.762 92 G HN 0.659 nan 8.290 nan 0.000 0.511 93 K N -0.775 119.713 120.400 0.147 0.000 2.156 93 K HA 0.842 5.161 4.320 -0.002 0.000 0.254 93 K C 0.298 176.989 176.600 0.151 0.000 0.950 93 K CA -0.352 56.007 56.287 0.120 0.000 0.849 93 K CB 1.881 34.430 32.500 0.081 0.000 1.100 93 K HN 0.785 nan 8.250 nan 0.000 0.434 94 A N 4.512 127.386 122.820 0.090 0.000 2.454 94 A HA 0.352 4.671 4.320 -0.002 0.000 0.260 94 A C -0.335 177.288 177.584 0.065 0.000 1.106 94 A CA -0.252 51.820 52.037 0.059 0.000 0.780 94 A CB -0.282 18.717 19.000 -0.002 0.000 1.044 94 A HN 0.792 nan 8.150 nan 0.000 0.498 95 M N 1.249 120.877 119.600 0.046 0.000 2.727 95 M HA 0.633 5.112 4.480 -0.002 0.000 0.300 95 M C -0.424 175.687 176.300 -0.314 0.000 1.246 95 M CA -0.405 54.896 55.300 0.001 0.000 0.835 95 M CB 2.411 35.103 32.600 0.152 0.000 1.755 95 M HN 0.792 nan 8.290 nan 0.000 0.473 96 E N 0.966 121.033 120.200 -0.222 0.000 2.428 96 E HA 0.305 4.654 4.350 -0.002 0.000 0.307 96 E C -2.381 174.340 176.600 0.201 0.000 0.902 96 E CA -0.409 55.824 56.400 -0.279 0.000 0.799 96 E CB 1.321 30.968 29.700 -0.090 0.000 1.351 96 E HN 0.493 nan 8.360 nan 0.000 0.392 97 W N 3.743 124.895 121.300 -0.246 0.000 2.706 97 W HA 0.472 5.131 4.660 -0.002 0.000 0.346 97 W C -0.546 176.021 176.519 0.080 0.000 1.071 97 W CA -1.324 56.043 57.345 0.037 0.000 1.206 97 W CB 0.760 30.344 29.460 0.206 0.000 1.413 97 W HN 0.443 nan 8.180 nan 0.000 0.542 98 F N 2.482 122.571 119.950 0.232 0.000 2.404 98 F HA 0.468 4.993 4.527 -0.002 0.000 0.358 98 F C 0.051 175.953 175.800 0.171 0.000 1.120 98 F CA -0.757 57.326 58.000 0.139 0.000 1.144 98 F CB 0.582 39.633 39.000 0.085 0.000 1.133 98 F HN -0.062 nan 8.300 nan 0.000 0.495 99 V N 7.431 127.074 119.914 -0.450 0.000 2.446 99 V HA 0.027 4.146 4.120 -0.002 0.000 0.276 99 V C 0.708 176.621 176.094 -0.302 0.000 1.030 99 V CA 0.304 62.468 62.300 -0.227 0.000 1.033 99 V CB 0.696 32.441 31.823 -0.130 0.000 0.993 99 V HN 0.875 nan 8.190 nan 0.000 0.477 100 E N 2.179 122.415 120.200 0.060 0.000 2.307 100 E HA 0.019 4.368 4.350 -0.002 0.000 0.195 100 E C 1.066 177.741 176.600 0.125 0.000 0.975 100 E CA 0.330 56.848 56.400 0.196 0.000 0.878 100 E CB 0.497 30.349 29.700 0.253 0.000 0.845 100 E HN 0.726 nan 8.360 nan 0.000 0.488 101 S N 0.875 116.627 115.700 0.086 0.000 2.489 101 S HA 0.099 4.567 4.470 -0.002 0.000 0.277 101 S C 0.893 175.538 174.600 0.076 0.000 1.230 101 S CA -0.582 57.665 58.200 0.078 0.000 1.053 101 S CB 1.372 64.611 63.200 0.065 0.000 0.955 101 S HN -0.054 nan 8.310 nan 0.000 0.488 102 E N 2.414 122.663 120.200 0.082 0.000 2.268 102 E HA -0.100 4.249 4.350 -0.002 0.000 0.195 102 E C 1.623 178.277 176.600 0.090 0.000 0.995 102 E CA 0.673 57.126 56.400 0.088 0.000 0.836 102 E CB -0.048 29.703 29.700 0.086 0.000 0.763 102 E HN 0.905 nan 8.360 nan 0.000 0.491 103 E N 0.254 120.501 120.200 0.080 0.000 2.047 103 E HA -0.113 4.236 4.350 -0.002 0.000 0.191 103 E C 2.034 178.696 176.600 0.103 0.000 0.987 103 E CA 0.889 57.337 56.400 0.080 0.000 0.799 103 E CB 0.290 30.025 29.700 0.058 0.000 0.752 103 E HN 0.050 nan 8.360 nan 0.000 0.449 104 V N 0.920 120.885 119.914 0.086 0.000 2.427 104 V HA -0.201 3.918 4.120 -0.002 0.000 0.248 104 V C 2.431 178.621 176.094 0.161 0.000 1.051 104 V CA 1.524 63.882 62.300 0.097 0.000 1.048 104 V CB -0.489 31.365 31.823 0.052 0.000 0.666 104 V HN 0.194 nan 8.190 nan 0.000 0.456 105 R N -0.168 120.410 120.500 0.132 0.000 2.105 105 R HA -0.150 4.189 4.340 -0.002 0.000 0.239 105 R C 2.538 178.939 176.300 0.168 0.000 1.135 105 R CA 1.609 57.800 56.100 0.153 0.000 0.967 105 R CB -0.243 30.141 30.300 0.141 0.000 0.861 105 R HN 0.482 nan 8.270 nan 0.000 0.442 106 R N -1.296 119.297 120.500 0.154 0.000 2.115 106 R HA -0.130 4.208 4.340 -0.002 0.000 0.226 106 R C 1.950 178.333 176.300 0.138 0.000 1.100 106 R CA 1.202 57.384 56.100 0.136 0.000 0.980 106 R CB -0.302 30.064 30.300 0.111 0.000 0.875 106 R HN 0.278 nan 8.270 nan 0.000 0.445 107 Y N 1.756 122.082 120.300 0.044 0.000 2.089 107 Y HA -0.235 4.313 4.550 -0.002 0.000 0.282 107 Y C 1.936 177.884 175.900 0.079 0.000 1.139 107 Y CA 1.620 59.744 58.100 0.039 0.000 1.123 107 Y CB -0.297 38.177 38.460 0.023 0.000 0.980 107 Y HN -0.088 nan 8.280 nan 0.000 0.493 108 L N 0.050 121.394 121.223 0.202 0.000 2.021 108 L HA -0.333 4.006 4.340 -0.002 0.000 0.215 108 L C 2.743 179.545 176.870 -0.113 0.000 1.074 108 L CA 2.144 56.928 54.840 -0.094 0.000 0.760 108 L CB -0.712 40.952 42.059 -0.659 0.000 0.889 108 L HN 0.211 nan 8.230 nan 0.000 0.433 109 R N 0.176 120.711 120.500 0.059 0.000 2.073 109 R HA -0.174 4.164 4.340 -0.002 0.000 0.234 109 R C 2.227 178.533 176.300 0.010 0.000 1.134 109 R CA 1.546 57.757 56.100 0.185 0.000 0.952 109 R CB -0.119 30.321 30.300 0.232 0.000 0.850 109 R HN 0.382 nan 8.270 nan 0.000 0.433 110 E N -0.546 119.642 120.200 -0.020 0.000 2.085 110 E HA -0.245 4.103 4.350 -0.002 0.000 0.194 110 E C 1.601 178.171 176.600 -0.049 0.000 0.994 110 E CA 1.098 57.451 56.400 -0.078 0.000 0.801 110 E CB -0.268 29.358 29.700 -0.123 0.000 0.743 110 E HN 0.461 nan 8.360 nan 0.000 0.453 111 W N 1.246 122.371 121.300 -0.292 0.000 2.342 111 W HA -0.111 4.548 4.660 -0.002 0.000 0.297 111 W C 1.087 177.528 176.519 -0.131 0.000 1.213 111 W CA 2.161 59.367 57.345 -0.233 0.000 1.251 111 W CB -0.571 28.758 29.460 -0.218 0.000 1.136 111 W HN 0.160 nan 8.180 nan 0.000 0.526 112 G N -0.267 108.553 108.800 0.033 0.000 2.782 112 G HA2 -0.159 3.800 3.960 -0.002 0.000 0.228 112 G HA3 -0.159 3.800 3.960 -0.002 0.000 0.228 112 G C -0.991 173.882 174.900 -0.045 0.000 1.372 112 G CA -0.179 44.792 45.100 -0.214 0.000 0.862 112 G HN 0.700 nan 8.290 nan 0.000 0.547 113 W N -1.592 119.690 121.300 -0.030 0.000 3.031 113 W HA 0.825 5.483 4.660 -0.002 0.000 0.337 113 W C 0.108 176.578 176.519 -0.083 0.000 1.187 113 W CA -0.546 56.732 57.345 -0.110 0.000 1.166 113 W CB 0.814 30.209 29.460 -0.107 0.000 1.437 113 W HN 0.350 nan 8.180 nan 0.000 0.551 114 D N 0.525 121.016 120.400 0.151 0.000 2.213 114 D HA -0.036 4.602 4.640 -0.002 0.000 0.205 114 D C 0.122 176.543 176.300 0.201 0.000 0.961 114 D CA 1.342 55.431 54.000 0.149 0.000 0.853 114 D CB 0.535 41.445 40.800 0.183 0.000 0.967 114 D HN 0.679 nan 8.370 nan 0.000 0.496 115 E N -0.695 119.604 120.200 0.165 0.000 2.423 115 E HA 0.531 4.880 4.350 -0.002 0.000 0.280 115 E C -1.384 175.161 176.600 -0.092 0.000 1.030 115 E CA -0.791 55.668 56.400 0.098 0.000 0.812 115 E CB 1.376 31.113 29.700 0.060 0.000 1.313 115 E HN -0.159 nan 8.360 nan 0.000 0.456 116 L N 0.886 122.011 121.223 -0.163 0.000 2.354 116 L HA 0.722 5.061 4.340 -0.002 0.000 0.269 116 L C -0.377 176.333 176.870 -0.266 0.000 1.005 116 L CA -0.932 53.700 54.840 -0.347 0.000 0.819 116 L CB 1.756 43.570 42.059 -0.409 0.000 1.311 116 L HN 0.613 nan 8.230 nan 0.000 0.423 117 R N 1.756 122.066 120.500 -0.316 0.000 2.734 117 R HA 0.541 4.880 4.340 -0.002 0.000 0.271 117 R C -1.231 174.865 176.300 -0.341 0.000 1.021 117 R CA -1.118 54.812 56.100 -0.282 0.000 0.893 117 R CB 1.615 31.776 30.300 -0.233 0.000 1.244 117 R HN 0.351 nan 8.270 nan 0.000 0.464 118 I N -0.001 120.350 120.570 -0.365 0.000 3.045 118 I HA 0.395 4.564 4.170 -0.002 0.000 0.288 118 I C 0.927 176.828 176.117 -0.360 0.000 1.238 118 I CA 0.274 61.313 61.300 -0.435 0.000 1.396 118 I CB 0.086 37.765 38.000 -0.536 0.000 1.355 118 I HN 0.753 nan 8.210 nan 0.000 0.601 119 G N 0.964 109.543 108.800 -0.367 0.000 3.140 119 G HA2 0.749 4.708 3.960 -0.002 0.000 0.271 119 G HA3 0.749 4.708 3.960 -0.002 0.000 0.271 119 G C -0.344 174.377 174.900 -0.298 0.000 1.370 119 G CA -0.707 44.178 45.100 -0.358 0.000 1.014 119 G HN 1.384 nan 8.290 nan 0.000 0.541 120 G N -1.467 107.159 108.800 -0.291 0.000 2.764 120 G HA2 -0.137 3.822 3.960 -0.002 0.000 0.686 120 G HA3 -0.137 3.822 3.960 -0.002 0.000 0.686 120 G C 0.541 175.372 174.900 -0.115 0.000 1.258 120 G CA 0.446 45.441 45.100 -0.175 0.000 0.846 120 G HN 0.763 nan 8.290 nan 0.000 0.596 121 Q N 0.950 120.709 119.800 -0.068 0.000 2.124 121 Q HA 0.005 4.343 4.340 -0.002 0.000 0.202 121 Q C 3.141 179.120 176.000 -0.036 0.000 0.977 121 Q CA 2.310 58.079 55.803 -0.056 0.000 0.850 121 Q CB -0.120 28.593 28.738 -0.042 0.000 0.901 121 Q HN 1.086 nan 8.270 nan 0.000 0.429 122 A N 0.827 123.640 122.820 -0.011 0.000 1.898 122 A HA -0.057 4.261 4.320 -0.002 0.000 0.216 122 A C 2.276 179.877 177.584 0.029 0.000 1.181 122 A CA 1.473 53.521 52.037 0.019 0.000 0.620 122 A CB -1.144 17.882 19.000 0.043 0.000 0.819 122 A HN 0.458 nan 8.150 nan 0.000 0.442 123 G N 0.176 108.973 108.800 -0.005 0.000 2.433 123 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.216 123 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.216 123 G C 1.535 176.385 174.900 -0.084 0.000 1.186 123 G CA 1.149 46.230 45.100 -0.032 0.000 0.779 123 G HN 0.451 nan 8.290 nan 0.000 0.543 124 I N 0.449 120.947 120.570 -0.119 0.000 2.208 124 I HA -0.213 3.956 4.170 -0.002 0.000 0.245 124 I C 2.941 179.006 176.117 -0.087 0.000 1.097 124 I CA 1.160 62.384 61.300 -0.127 0.000 1.363 124 I CB -0.169 37.753 38.000 -0.130 0.000 1.051 124 I HN 0.190 nan 8.210 nan 0.000 0.413 125 M N -0.057 119.514 119.600 -0.050 0.000 2.229 125 M HA -0.152 4.326 4.480 -0.002 0.000 0.264 125 M C 2.484 178.781 176.300 -0.004 0.000 1.063 125 M CA 1.588 56.873 55.300 -0.026 0.000 1.114 125 M CB -0.393 32.211 32.600 0.006 0.000 1.387 125 M HN 0.321 nan 8.290 nan 0.000 0.420 126 A N 0.811 123.653 122.820 0.037 0.000 1.873 126 A HA -0.167 4.152 4.320 -0.002 0.000 0.215 126 A C 1.778 179.389 177.584 0.046 0.000 1.186 126 A CA 1.891 53.978 52.037 0.084 0.000 0.616 126 A CB -1.020 18.113 19.000 0.221 0.000 0.823 126 A HN 0.565 nan 8.150 nan 0.000 0.442 127 N N -0.817 117.893 118.700 0.017 0.000 2.223 127 N HA -0.127 4.611 4.740 -0.002 0.000 0.185 127 N C 1.679 177.124 175.510 -0.109 0.000 1.016 127 N CA 1.133 54.161 53.050 -0.037 0.000 0.863 127 N CB -0.130 38.301 38.487 -0.094 0.000 0.983 127 N HN 0.413 nan 8.380 nan 0.000 0.429 128 L N 0.713 121.843 121.223 -0.156 0.000 2.007 128 L HA -0.047 4.291 4.340 -0.002 0.000 0.205 128 L C 1.778 178.395 176.870 -0.421 0.000 1.073 128 L CA 1.388 56.043 54.840 -0.308 0.000 0.744 128 L CB -0.661 41.217 42.059 -0.301 0.000 0.898 128 L HN 0.040 nan 8.230 nan 0.000 0.435 129 L N 0.083 121.174 121.223 -0.220 0.000 2.017 129 L HA -0.065 4.274 4.340 -0.002 0.000 0.208 129 L C 2.463 179.342 176.870 0.015 0.000 1.073 129 L CA 2.084 56.900 54.840 -0.041 0.000 0.745 129 L CB -1.946 40.167 42.059 0.089 0.000 0.894 129 L HN 0.439 nan 8.230 nan 0.000 0.432 130 G N -1.690 107.105 108.800 -0.008 0.000 2.404 130 G HA2 -0.035 3.924 3.960 -0.002 0.000 0.213 130 G HA3 -0.035 3.924 3.960 -0.002 0.000 0.213 130 G C 1.578 176.464 174.900 -0.024 0.000 1.189 130 G CA 0.557 45.657 45.100 -0.000 0.000 0.796 130 G HN 0.494 nan 8.290 nan 0.000 0.532 131 G N 0.281 109.050 108.800 -0.052 0.000 2.394 131 G HA2 -0.050 3.908 3.960 -0.002 0.000 0.214 131 G HA3 -0.050 3.908 3.960 -0.002 0.000 0.214 131 G C 1.744 176.618 174.900 -0.044 0.000 1.176 131 G CA 1.461 46.528 45.100 -0.055 0.000 0.786 131 G HN 0.310 nan 8.290 nan 0.000 0.533 132 V N -0.108 119.748 119.914 -0.096 0.000 2.273 132 V HA -0.037 4.082 4.120 -0.002 0.000 0.242 132 V C 2.342 178.497 176.094 0.102 0.000 1.035 132 V CA 1.008 63.268 62.300 -0.067 0.000 1.013 132 V CB -0.843 30.842 31.823 -0.231 0.000 0.652 132 V HN 0.344 nan 8.190 nan 0.000 0.452 133 Y N 0.601 120.938 120.300 0.062 0.000 2.561 133 Y HA 0.190 4.739 4.550 -0.002 0.000 0.291 133 Y C 1.479 177.400 175.900 0.035 0.000 1.141 133 Y CA -0.387 57.751 58.100 0.064 0.000 1.303 133 Y CB -0.517 37.992 38.460 0.082 0.000 1.015 133 Y HN 0.288 nan 8.280 nan 0.000 0.547 134 R N -0.633 119.958 120.500 0.152 0.000 3.770 134 R HA -0.211 4.128 4.340 -0.002 0.000 0.305 134 R C -0.542 175.818 176.300 0.099 0.000 1.184 134 R CA 0.555 56.711 56.100 0.093 0.000 0.823 134 R CB -2.829 27.517 30.300 0.077 0.000 1.285 134 R HN 0.311 nan 8.270 nan 0.000 0.499 135 I N 3.346 123.991 120.570 0.125 0.000 2.371 135 I HA 0.142 4.311 4.170 -0.002 0.000 0.290 135 I C -1.520 174.663 176.117 0.109 0.000 1.028 135 I CA -2.131 59.237 61.300 0.113 0.000 1.345 135 I CB 0.802 38.880 38.000 0.131 0.000 1.407 135 I HN -0.248 nan 8.210 nan 0.000 0.501 136 P HA -0.022 nan 4.420 nan 0.000 0.257 136 P C -0.631 176.768 177.300 0.164 0.000 1.189 136 P CA 0.269 63.483 63.100 0.190 0.000 0.780 136 P CB 0.051 31.853 31.700 0.169 0.000 0.772 137 T N 5.010 119.666 114.554 0.171 0.000 2.829 137 T HA 0.570 4.918 4.350 -0.002 0.000 0.280 137 T C 0.343 175.138 174.700 0.159 0.000 0.999 137 T CA -0.384 61.792 62.100 0.126 0.000 0.983 137 T CB 0.908 69.819 68.868 0.073 0.000 0.968 137 T HN 0.186 nan 8.240 nan 0.000 0.446 138 I N 2.828 123.471 120.570 0.122 0.000 2.406 138 I HA 0.603 4.772 4.170 -0.002 0.000 0.290 138 I C -0.483 175.720 176.117 0.143 0.000 0.999 138 I CA -1.003 60.372 61.300 0.125 0.000 1.124 138 I CB 1.770 39.807 38.000 0.063 0.000 1.289 138 I HN 0.265 nan 8.210 nan 0.000 0.441 139 V N 6.187 126.180 119.914 0.131 0.000 2.823 139 V HA 0.414 4.533 4.120 -0.002 0.000 0.312 139 V C -0.782 175.396 176.094 0.141 0.000 1.072 139 V CA -0.446 61.933 62.300 0.132 0.000 0.937 139 V CB 2.190 34.048 31.823 0.057 0.000 1.013 139 V HN 0.749 nan 8.190 nan 0.000 0.430 140 H N 5.033 124.054 119.070 -0.082 0.000 2.668 140 H HA 0.554 5.109 4.556 -0.002 0.000 0.303 140 H C -1.450 173.790 175.328 -0.147 0.000 1.074 140 H CA -0.221 55.599 56.048 -0.380 0.000 1.406 140 H CB 1.543 30.862 29.762 -0.740 0.000 1.442 140 H HN 0.492 nan 8.280 nan 0.000 0.482 141 V N 9.475 129.053 119.914 -0.559 0.000 2.340 141 V HA 0.127 4.246 4.120 -0.002 0.000 0.277 141 V C -1.593 174.226 176.094 -0.459 0.000 1.017 141 V CA -1.243 60.847 62.300 -0.349 0.000 0.820 141 V CB 1.356 33.113 31.823 -0.110 0.000 1.028 141 V HN 0.749 nan 8.190 nan 0.000 0.436 142 P HA -0.141 nan 4.420 nan 0.000 0.215 142 P C 0.187 177.357 177.300 -0.216 0.000 1.157 142 P CA 1.381 64.332 63.100 -0.247 0.000 0.874 142 P CB 0.466 32.172 31.700 0.009 0.000 0.790 143 Q N -0.608 119.040 119.800 -0.253 0.000 2.321 143 Q HA 0.279 4.618 4.340 -0.002 0.000 0.270 143 Q C -0.709 175.197 176.000 -0.157 0.000 1.032 143 Q CA -0.121 55.517 55.803 -0.275 0.000 0.784 143 Q CB 1.656 30.133 28.738 -0.436 0.000 1.264 143 Q HN 0.139 nan 8.270 nan 0.000 0.448 144 N N 3.460 122.096 118.700 -0.107 0.000 2.818 144 N HA 0.231 4.970 4.740 -0.002 0.000 0.301 144 N C -2.370 173.119 175.510 -0.034 0.000 1.821 144 N CA -1.523 51.497 53.050 -0.050 0.000 0.930 144 N CB 1.053 39.520 38.487 -0.034 0.000 1.263 144 N HN 0.257 nan 8.380 nan 0.000 0.487 145 P HA 0.048 nan 4.420 nan 0.000 0.275 145 P C 0.469 177.762 177.300 -0.011 0.000 1.266 145 P CA -0.187 62.896 63.100 -0.027 0.000 0.793 145 P CB 1.429 33.109 31.700 -0.034 0.000 1.074 146 K N 0.258 120.658 120.400 -0.001 0.000 2.103 146 K HA -0.094 4.224 4.320 -0.002 0.000 0.207 146 K C 1.982 178.581 176.600 -0.003 0.000 1.048 146 K CA 1.101 57.392 56.287 0.006 0.000 0.930 146 K CB -0.545 31.962 32.500 0.012 0.000 0.716 146 K HN 0.261 nan 8.250 nan 0.000 0.444 147 L N 0.747 121.960 121.223 -0.017 0.000 2.083 147 L HA -0.210 4.129 4.340 -0.002 0.000 0.209 147 L C 2.552 179.371 176.870 -0.086 0.000 1.083 147 L CA 1.510 56.324 54.840 -0.044 0.000 0.752 147 L CB -0.336 41.694 42.059 -0.048 0.000 0.899 147 L HN 0.490 nan 8.230 nan 0.000 0.433 148 Q N -0.797 118.959 119.800 -0.074 0.000 2.062 148 Q HA -0.108 4.230 4.340 -0.002 0.000 0.196 148 Q C 2.232 178.231 176.000 -0.003 0.000 0.967 148 Q CA 1.538 57.288 55.803 -0.088 0.000 0.832 148 Q CB -0.070 28.635 28.738 -0.056 0.000 0.899 148 Q HN 0.535 nan 8.270 nan 0.000 0.442 149 A N 1.885 124.755 122.820 0.085 0.000 1.972 149 A HA -0.202 4.116 4.320 -0.002 0.000 0.219 149 A C 1.731 179.421 177.584 0.177 0.000 1.169 149 A CA 1.746 53.905 52.037 0.203 0.000 0.635 149 A CB -0.488 18.569 19.000 0.096 0.000 0.810 149 A HN 0.560 nan 8.150 nan 0.000 0.446 150 E N -0.027 120.202 120.200 0.049 0.000 2.481 150 E HA 0.056 4.405 4.350 -0.002 0.000 0.195 150 E C 1.370 177.944 176.600 -0.044 0.000 1.047 150 E CA 0.228 56.637 56.400 0.014 0.000 0.867 150 E CB -0.291 29.406 29.700 -0.006 0.000 0.858 150 E HN 0.612 nan 8.360 nan 0.000 0.513 151 L N 0.222 121.365 121.223 -0.134 0.000 2.478 151 L HA 0.143 4.481 4.340 -0.002 0.000 0.223 151 L C 0.441 177.113 176.870 -0.330 0.000 1.140 151 L CA 0.045 54.724 54.840 -0.270 0.000 0.842 151 L CB -0.136 41.685 42.059 -0.397 0.000 0.953 151 L HN 0.053 nan 8.230 nan 0.000 0.452 152 F N -0.350 119.535 119.950 -0.109 0.000 2.456 152 F HA 0.112 4.638 4.527 -0.002 0.000 0.358 152 F C 0.641 176.369 175.800 -0.120 0.000 1.095 152 F CA -0.139 57.791 58.000 -0.116 0.000 1.216 152 F CB 0.774 39.706 39.000 -0.113 0.000 1.125 152 F HN -0.376 nan 8.300 nan 0.000 0.549 153 V N 3.316 123.258 119.914 0.047 0.000 2.881 153 V HA -0.004 4.115 4.120 -0.002 0.000 0.303 153 V C -0.245 175.818 176.094 -0.051 0.000 1.070 153 V CA -0.409 61.877 62.300 -0.023 0.000 1.074 153 V CB 1.057 32.852 31.823 -0.046 0.000 1.012 153 V HN 0.584 nan 8.190 nan 0.000 0.482 154 D N 2.773 123.124 120.400 -0.082 0.000 2.424 154 D HA 0.544 5.183 4.640 -0.002 0.000 0.244 154 D C 0.387 176.596 176.300 -0.152 0.000 1.134 154 D CA 1.496 55.410 54.000 -0.144 0.000 0.881 154 D CB 1.088 41.820 40.800 -0.112 0.000 1.191 154 D HN 0.955 nan 8.370 nan 0.000 0.445 155 G N 1.722 110.376 108.800 -0.243 0.000 2.324 155 G HA2 0.182 4.140 3.960 -0.002 0.000 0.293 155 G HA3 0.182 4.140 3.960 -0.002 0.000 0.293 155 G C -2.823 171.910 174.900 -0.278 0.000 1.297 155 G CA -0.997 43.994 45.100 -0.183 0.000 0.853 155 G HN 0.276 nan 8.290 nan 0.000 0.535 156 P HA 0.299 nan 4.420 nan 0.000 0.232 156 P C -0.339 176.735 177.300 -0.377 0.000 1.738 156 P CA 0.165 63.169 63.100 -0.160 0.000 0.948 156 P CB -0.566 31.206 31.700 0.120 0.000 1.943 157 I N 1.837 122.061 120.570 -0.576 0.000 2.339 157 I HA 0.308 4.477 4.170 -0.002 0.000 0.290 157 I C -0.024 175.734 176.117 -0.597 0.000 0.994 157 I CA -0.883 60.162 61.300 -0.425 0.000 1.191 157 I CB 0.804 38.633 38.000 -0.283 0.000 1.343 157 I HN 0.040 nan 8.210 nan 0.000 0.458 158 Y N 4.661 124.953 120.300 -0.014 0.000 2.570 158 Y HA 0.700 5.249 4.550 -0.002 0.000 0.345 158 Y C -0.283 175.556 175.900 -0.103 0.000 1.014 158 Y CA -1.099 56.971 58.100 -0.049 0.000 1.063 158 Y CB 1.971 40.393 38.460 -0.062 0.000 1.272 158 Y HN 0.158 nan 8.280 nan 0.000 0.477 159 V N 3.542 123.495 119.914 0.065 0.000 2.709 159 V HA 0.561 4.680 4.120 -0.002 0.000 0.308 159 V C -2.538 173.568 176.094 0.019 0.000 1.062 159 V CA -2.608 59.699 62.300 0.012 0.000 0.901 159 V CB 2.676 34.449 31.823 -0.082 0.000 1.003 159 V HN 0.532 nan 8.190 nan 0.000 0.425 160 P HA 0.382 nan 4.420 nan 0.000 0.286 160 P C -1.270 175.967 177.300 -0.106 0.000 1.269 160 P CA -0.165 62.888 63.100 -0.079 0.000 0.787 160 P CB 1.428 33.030 31.700 -0.163 0.000 0.920 161 V N 4.356 124.205 119.914 -0.108 0.000 2.588 161 V HA 0.302 4.420 4.120 -0.002 0.000 0.304 161 V C -0.140 175.944 176.094 -0.017 0.000 1.042 161 V CA -0.596 61.664 62.300 -0.066 0.000 0.877 161 V CB 1.446 33.265 31.823 -0.008 0.000 0.996 161 V HN 0.294 nan 8.190 nan 0.000 0.425 162 F N 2.738 122.699 119.950 0.019 0.000 2.494 162 F HA 0.276 4.802 4.527 -0.002 0.000 0.351 162 F C 1.112 176.914 175.800 0.003 0.000 1.205 162 F CA -0.435 57.571 58.000 0.010 0.000 1.125 162 F CB 0.012 39.026 39.000 0.023 0.000 1.268 162 F HN 0.546 nan 8.300 nan 0.000 0.593 163 E N 2.423 122.745 120.200 0.203 0.000 1.924 163 E HA 0.312 4.661 4.350 -0.002 0.000 0.261 163 E C 0.723 177.364 176.600 0.068 0.000 1.088 163 E CA -0.339 56.122 56.400 0.101 0.000 0.909 163 E CB 0.264 29.998 29.700 0.057 0.000 1.112 163 E HN 0.832 nan 8.360 nan 0.000 0.425 164 G N 4.380 113.209 108.800 0.048 0.000 2.363 164 G HA2 -0.322 3.637 3.960 -0.002 0.000 0.286 164 G HA3 -0.322 3.637 3.960 -0.002 0.000 0.286 164 G C 0.207 175.092 174.900 -0.024 0.000 0.975 164 G CA 0.261 45.362 45.100 0.002 0.000 1.309 164 G HN 0.771 nan 8.290 nan 0.000 0.491 165 N N -1.244 117.407 118.700 -0.081 0.000 2.714 165 N HA -0.165 4.574 4.740 -0.002 0.000 0.250 165 N C 0.126 175.615 175.510 -0.035 0.000 1.117 165 N CA 2.097 55.075 53.050 -0.120 0.000 0.719 165 N CB -0.505 37.925 38.487 -0.094 0.000 1.081 165 N HN 0.896 nan 8.380 nan 0.000 0.557 166 K N 0.489 120.912 120.400 0.038 0.000 2.565 166 K HA 0.286 4.605 4.320 -0.002 0.000 0.249 166 K C -0.840 175.857 176.600 0.163 0.000 0.958 166 K CA -0.656 55.673 56.287 0.069 0.000 0.806 166 K CB 1.992 34.513 32.500 0.034 0.000 1.194 166 K HN -0.055 nan 8.250 nan 0.000 0.434 167 L N 4.909 126.233 121.223 0.168 0.000 2.283 167 L HA 0.321 4.659 4.340 -0.002 0.000 0.287 167 L C -0.620 176.253 176.870 0.005 0.000 1.073 167 L CA 0.233 55.157 54.840 0.141 0.000 0.822 167 L CB 0.270 42.388 42.059 0.099 0.000 1.186 167 L HN 0.567 nan 8.230 nan 0.000 0.436 168 K N 5.862 126.252 120.400 -0.016 0.000 2.208 168 K HA 0.560 4.879 4.320 -0.002 0.000 0.247 168 K C -0.999 175.545 176.600 -0.093 0.000 0.953 168 K CA -0.920 55.332 56.287 -0.058 0.000 0.837 168 K CB 2.528 35.006 32.500 -0.036 0.000 1.131 168 K HN 0.532 nan 8.250 nan 0.000 0.431 169 L N 2.381 123.524 121.223 -0.134 0.000 2.298 169 L HA 0.415 4.754 4.340 -0.002 0.000 0.284 169 L C -0.197 176.621 176.870 -0.088 0.000 1.013 169 L CA -0.984 53.774 54.840 -0.137 0.000 0.824 169 L CB 1.460 43.352 42.059 -0.278 0.000 1.221 169 L HN 0.374 nan 8.230 nan 0.000 0.418 170 V N -1.048 118.870 119.914 0.006 0.000 3.040 170 V HA 0.524 4.643 4.120 -0.002 0.000 0.312 170 V C -0.279 175.828 176.094 0.023 0.000 1.115 170 V CA -0.957 61.334 62.300 -0.014 0.000 0.998 170 V CB 1.637 33.437 31.823 -0.038 0.000 1.042 170 V HN 0.662 nan 8.190 nan 0.000 0.433 171 H N 2.350 121.444 119.070 0.040 0.000 2.790 171 H HA 0.227 4.781 4.556 -0.002 0.000 0.358 171 H C -1.805 173.440 175.328 -0.138 0.000 1.103 171 H CA -0.787 55.180 56.048 -0.135 0.000 1.426 171 H CB 0.948 30.622 29.762 -0.146 0.000 1.424 171 H HN 0.503 nan 8.280 nan 0.000 0.599 172 P HA -0.290 nan 4.420 nan 0.000 0.217 172 P C 1.238 178.526 177.300 -0.021 0.000 1.162 172 P CA 2.172 65.181 63.100 -0.151 0.000 0.901 172 P CB 0.138 31.620 31.700 -0.364 0.000 0.793 173 K N -1.042 119.369 120.400 0.018 0.000 2.281 173 K HA -0.150 4.168 4.320 -0.002 0.000 0.203 173 K C 0.716 177.336 176.600 0.032 0.000 1.046 173 K CA 1.788 58.095 56.287 0.034 0.000 0.938 173 K CB -0.656 31.865 32.500 0.034 0.000 0.737 173 K HN 0.087 nan 8.250 nan 0.000 0.458 174 D N 0.271 120.693 120.400 0.038 0.000 2.340 174 D HA 0.130 4.769 4.640 -0.002 0.000 0.217 174 D C 0.203 176.510 176.300 0.013 0.000 1.081 174 D CA 0.373 54.391 54.000 0.029 0.000 0.842 174 D CB 1.116 41.936 40.800 0.034 0.000 0.934 174 D HN 0.415 nan 8.370 nan 0.000 0.511 175 A N 0.387 123.210 122.820 0.005 0.000 2.594 175 A HA 0.287 4.606 4.320 -0.002 0.000 0.292 175 A C 0.522 178.105 177.584 -0.002 0.000 1.026 175 A CA -0.415 51.620 52.037 -0.003 0.000 0.983 175 A CB -0.051 18.938 19.000 -0.018 0.000 1.233 175 A HN 0.033 nan 8.150 nan 0.000 0.519 176 I N 0.868 121.441 120.570 0.006 0.000 2.836 176 I HA 0.376 4.545 4.170 -0.002 0.000 0.285 176 I C 0.723 176.842 176.117 0.004 0.000 1.174 176 I CA 0.371 61.674 61.300 0.005 0.000 1.405 176 I CB 1.327 39.334 38.000 0.011 0.000 1.385 176 I HN 0.391 nan 8.210 nan 0.000 0.594 177 A N 4.368 127.187 122.820 -0.001 0.000 2.610 177 A HA 0.420 4.738 4.320 -0.002 0.000 0.291 177 A C -0.917 176.665 177.584 -0.004 0.000 1.086 177 A CA -0.766 51.271 52.037 0.000 0.000 0.677 177 A CB 1.054 20.053 19.000 -0.001 0.000 1.278 177 A HN 0.678 nan 8.150 nan 0.000 0.414 178 E N 1.673 121.874 120.200 0.002 0.000 1.852 178 E HA 0.192 4.540 4.350 -0.002 0.000 0.276 178 E C -0.428 176.169 176.600 -0.006 0.000 1.163 178 E CA 0.211 56.612 56.400 0.002 0.000 1.117 178 E CB -0.061 29.646 29.700 0.012 0.000 1.124 178 E HN 0.555 nan 8.360 nan 0.000 0.458 179 E N 1.336 121.520 120.200 -0.027 0.000 2.370 179 E HA 0.319 4.667 4.350 -0.002 0.000 0.259 179 E C -0.369 176.191 176.600 -0.066 0.000 0.947 179 E CA -0.958 55.407 56.400 -0.059 0.000 0.809 179 E CB 1.300 30.937 29.700 -0.105 0.000 1.300 179 E HN 0.196 nan 8.360 nan 0.000 0.419 180 E N 0.930 121.062 120.200 -0.113 0.000 2.383 180 E HA 0.053 4.402 4.350 -0.002 0.000 0.264 180 E C -0.733 175.811 176.600 -0.093 0.000 1.050 180 E CA 0.101 56.455 56.400 -0.076 0.000 0.896 180 E CB 0.716 30.381 29.700 -0.058 0.000 0.982 180 E HN 0.237 nan 8.360 nan 0.000 0.424 181 E N 2.463 122.639 120.200 -0.039 0.000 2.194 181 E HA 0.153 4.501 4.350 -0.002 0.000 0.284 181 E C -0.695 175.875 176.600 -0.049 0.000 1.035 181 E CA -0.179 56.185 56.400 -0.060 0.000 0.836 181 E CB 0.693 30.371 29.700 -0.037 0.000 1.070 181 E HN 0.255 nan 8.360 nan 0.000 0.401 182 L N 5.876 127.056 121.223 -0.073 0.000 2.314 182 L HA 0.399 4.738 4.340 -0.002 0.000 0.275 182 L C -0.347 176.499 176.870 -0.040 0.000 1.068 182 L CA -0.304 54.535 54.840 -0.002 0.000 0.894 182 L CB -0.144 41.929 42.059 0.023 0.000 1.275 182 L HN 0.389 nan 8.230 nan 0.000 0.432 183 I N 1.594 122.110 120.570 -0.089 0.000 2.392 183 I HA 0.291 4.460 4.170 -0.002 0.000 0.295 183 I C -0.408 175.595 176.117 -0.190 0.000 0.985 183 I CA -0.643 60.486 61.300 -0.286 0.000 1.221 183 I CB 1.226 38.838 38.000 -0.647 0.000 1.366 183 I HN 0.387 nan 8.210 nan 0.000 0.467 184 H N 5.147 123.935 119.070 -0.471 0.000 2.638 184 H HA 0.369 4.924 4.556 -0.002 0.000 0.317 184 H C -1.281 173.795 175.328 -0.420 0.000 1.006 184 H CA -0.773 55.084 56.048 -0.319 0.000 1.222 184 H CB 0.545 30.177 29.762 -0.217 0.000 1.419 184 H HN 0.335 nan 8.280 nan 0.000 0.489 185 Y N 3.424 123.653 120.300 -0.119 0.000 2.452 185 Y HA 0.227 4.775 4.550 -0.002 0.000 0.348 185 Y C 0.511 176.141 175.900 -0.451 0.000 0.985 185 Y CA -0.269 57.648 58.100 -0.305 0.000 1.214 185 Y CB 0.366 38.708 38.460 -0.196 0.000 1.136 185 Y HN 0.458 nan 8.280 nan 0.000 0.523 186 I N 5.090 125.401 120.570 -0.432 0.000 2.312 186 I HA 0.196 4.364 4.170 -0.002 0.000 0.290 186 I C -0.998 174.765 176.117 -0.590 0.000 1.008 186 I CA -0.767 60.294 61.300 -0.399 0.000 1.226 186 I CB 0.515 38.328 38.000 -0.312 0.000 1.371 186 I HN 0.489 nan 8.210 nan 0.000 0.468 187 Y N 5.261 125.474 120.300 -0.145 0.000 2.342 187 Y HA 0.341 4.889 4.550 -0.002 0.000 0.338 187 Y C 0.287 176.029 175.900 -0.264 0.000 0.965 187 Y CA -0.780 57.203 58.100 -0.195 0.000 1.159 187 Y CB 0.955 39.351 38.460 -0.107 0.000 1.157 187 Y HN 0.510 nan 8.280 nan 0.000 0.486 188 E N 4.072 124.131 120.200 -0.234 0.000 2.207 188 E HA 0.630 4.979 4.350 -0.002 0.000 0.270 188 E C -1.395 174.981 176.600 -0.374 0.000 0.927 188 E CA -1.011 55.133 56.400 -0.426 0.000 0.799 188 E CB 2.024 31.549 29.700 -0.292 0.000 1.172 188 E HN 0.421 nan 8.360 nan 0.000 0.404 189 F N -1.162 118.669 119.950 -0.199 0.000 2.576 189 F HA 0.576 5.102 4.527 -0.002 0.000 0.313 189 F C -2.808 172.925 175.800 -0.111 0.000 1.078 189 F CA -3.566 54.213 58.000 -0.369 0.000 0.921 189 F CB 0.794 39.447 39.000 -0.579 0.000 1.232 189 F HN 0.183 nan 8.300 nan 0.000 0.459 190 P HA 0.187 nan 4.420 nan 0.000 0.274 190 P C 0.224 177.671 177.300 0.246 0.000 1.260 190 P CA -0.260 62.950 63.100 0.182 0.000 0.793 190 P CB 0.962 32.767 31.700 0.177 0.000 1.048 191 R N -0.604 119.990 120.500 0.158 0.000 2.211 191 R HA -0.036 4.302 4.340 -0.002 0.000 0.240 191 R C 1.099 177.484 176.300 0.143 0.000 1.144 191 R CA 1.465 57.648 56.100 0.138 0.000 0.992 191 R CB -0.612 29.738 30.300 0.083 0.000 0.869 191 R HN 0.614 nan 8.270 nan 0.000 0.462 192 G N -0.066 108.832 108.800 0.163 0.000 2.954 192 G HA2 0.370 4.329 3.960 -0.002 0.000 0.290 192 G HA3 0.370 4.329 3.960 -0.002 0.000 0.290 192 G C -1.651 173.377 174.900 0.213 0.000 1.574 192 G CA -0.504 44.679 45.100 0.139 0.000 1.088 192 G HN 0.000 nan 8.290 nan 0.000 0.557 193 F N 1.114 121.076 119.950 0.020 0.000 2.480 193 F HA 0.626 5.151 4.527 -0.002 0.000 0.329 193 F C -0.005 175.769 175.800 -0.044 0.000 1.091 193 F CA -1.028 56.977 58.000 0.009 0.000 0.972 193 F CB 2.424 41.441 39.000 0.029 0.000 1.150 193 F HN 0.305 nan 8.300 nan 0.000 0.467 194 Q N 4.407 123.739 119.800 -0.780 0.000 2.381 194 Q HA 0.622 4.961 4.340 -0.002 0.000 0.263 194 Q C -1.609 173.984 176.000 -0.680 0.000 1.030 194 Q CA -0.634 54.836 55.803 -0.556 0.000 0.772 194 Q CB 2.146 30.672 28.738 -0.353 0.000 1.232 194 Q HN 0.471 nan 8.270 nan 0.000 0.476 195 V N 3.968 123.613 119.914 -0.449 0.000 2.668 195 V HA 0.285 4.404 4.120 -0.002 0.000 0.304 195 V C 0.116 176.029 176.094 -0.302 0.000 1.071 195 V CA -0.499 61.495 62.300 -0.510 0.000 0.894 195 V CB 1.085 32.689 31.823 -0.364 0.000 1.008 195 V HN 0.974 nan 8.190 nan 0.000 0.425 196 F N 1.551 121.514 119.950 0.021 0.000 2.604 196 F HA -0.410 4.115 4.527 -0.002 0.000 0.635 196 F C 1.559 177.390 175.800 0.051 0.000 0.489 196 F CA 2.414 60.461 58.000 0.078 0.000 0.658 196 F CB -0.692 38.477 39.000 0.281 0.000 1.585 196 F HN 0.630 nan 8.300 nan 0.000 0.254 197 D N -2.317 118.225 120.400 0.236 0.000 1.852 197 D HA 0.091 4.730 4.640 -0.002 0.000 0.559 197 D C -0.207 176.151 176.300 0.096 0.000 0.873 197 D CA 0.753 54.839 54.000 0.143 0.000 1.045 197 D CB 0.087 40.998 40.800 0.184 0.000 1.579 197 D HN 0.186 nan 8.370 nan 0.000 0.509 198 V N 2.364 122.353 119.914 0.125 0.000 2.637 198 V HA 0.424 4.542 4.120 -0.002 0.000 0.296 198 V C -0.236 175.850 176.094 -0.013 0.000 1.046 198 V CA 0.281 62.612 62.300 0.052 0.000 1.066 198 V CB 1.366 33.213 31.823 0.040 0.000 0.968 198 V HN 0.099 nan 8.190 nan 0.000 0.483 199 Q N 5.407 125.195 119.800 -0.021 0.000 2.377 199 Q HA 0.709 5.047 4.340 -0.002 0.000 0.271 199 Q C -0.860 175.118 176.000 -0.037 0.000 1.077 199 Q CA -0.617 55.167 55.803 -0.030 0.000 0.820 199 Q CB 2.208 30.937 28.738 -0.015 0.000 1.347 199 Q HN 1.095 nan 8.270 nan 0.000 0.444 200 A N 4.230 127.036 122.820 -0.024 0.000 2.274 200 A HA 0.485 4.803 4.320 -0.002 0.000 0.309 200 A C -2.016 175.587 177.584 0.031 0.000 1.226 200 A CA -1.409 50.600 52.037 -0.047 0.000 0.853 200 A CB 0.613 19.561 19.000 -0.086 0.000 1.146 200 A HN 0.701 nan 8.150 nan 0.000 0.518 201 P HA 0.062 nan 4.420 nan 0.000 0.240 201 P C 0.271 177.611 177.300 0.066 0.000 1.190 201 P CA 0.638 63.763 63.100 0.042 0.000 0.781 201 P CB 0.517 32.233 31.700 0.027 0.000 0.931 202 R N -0.374 120.191 120.500 0.108 0.000 2.710 202 R HA 0.233 4.572 4.340 -0.002 0.000 0.270 202 R C -0.844 175.595 176.300 0.232 0.000 1.021 202 R CA -0.614 55.563 56.100 0.127 0.000 0.889 202 R CB 1.684 32.037 30.300 0.088 0.000 1.243 202 R HN -0.177 nan 8.270 nan 0.000 0.464 203 E N 2.517 122.811 120.200 0.157 0.000 2.070 203 E HA 0.111 4.460 4.350 -0.002 0.000 0.282 203 E C -0.972 175.622 176.600 -0.009 0.000 1.104 203 E CA 0.446 56.919 56.400 0.122 0.000 0.876 203 E CB 0.382 30.106 29.700 0.040 0.000 1.055 203 E HN 0.525 nan 8.360 nan 0.000 0.401 204 N N 2.875 121.471 118.700 -0.174 0.000 3.427 204 N HA 0.506 5.244 4.740 -0.002 0.000 0.364 204 N C -0.918 174.026 175.510 -0.943 0.000 1.538 204 N CA -0.718 52.130 53.050 -0.338 0.000 0.662 204 N CB 1.213 39.759 38.487 0.097 0.000 1.881 204 N HN 0.425 nan 8.380 nan 0.000 0.634 205 R N -0.257 119.903 120.500 -0.566 0.000 2.687 205 R HA 0.308 4.646 4.340 -0.002 0.000 0.265 205 R C -2.184 174.106 176.300 -0.017 0.000 1.048 205 R CA -0.720 55.120 56.100 -0.432 0.000 0.884 205 R CB 0.485 30.599 30.300 -0.310 0.000 1.258 205 R HN 0.381 nan 8.270 nan 0.000 0.469 206 F N 3.161 123.082 119.950 -0.049 0.000 2.482 206 F HA 0.624 5.150 4.527 -0.002 0.000 0.331 206 F C -0.885 174.937 175.800 0.037 0.000 1.115 206 F CA -1.040 56.959 58.000 -0.001 0.000 0.955 206 F CB 1.490 40.489 39.000 -0.001 0.000 1.136 206 F HN 0.403 nan 8.300 nan 0.000 0.452 207 I N 5.773 125.972 120.570 -0.617 0.000 2.362 207 I HA 0.440 4.609 4.170 -0.002 0.000 0.289 207 I C -0.478 175.400 176.117 -0.399 0.000 0.994 207 I CA -0.914 60.185 61.300 -0.335 0.000 1.158 207 I CB 1.608 39.475 38.000 -0.221 0.000 1.315 207 I HN 0.743 nan 8.210 nan 0.000 0.451 208 A N 6.207 129.045 122.820 0.030 0.000 2.280 208 A HA 0.317 4.635 4.320 -0.002 0.000 0.320 208 A C -0.198 177.422 177.584 0.059 0.000 1.366 208 A CA -0.528 51.607 52.037 0.163 0.000 0.938 208 A CB 0.083 19.344 19.000 0.435 0.000 1.157 208 A HN 0.713 nan 8.150 nan 0.000 0.536 209 N N 2.545 121.181 118.700 -0.106 0.000 2.408 209 N HA 0.395 5.133 4.740 -0.002 0.000 0.257 209 N C 0.074 175.329 175.510 -0.425 0.000 1.064 209 N CA 0.295 53.146 53.050 -0.331 0.000 0.952 209 N CB 1.412 39.747 38.487 -0.252 0.000 1.093 209 N HN 0.568 nan 8.380 nan 0.000 0.490 210 A N 3.005 125.642 122.820 -0.305 0.000 2.793 210 A HA 0.131 4.450 4.320 -0.002 0.000 0.301 210 A C -0.097 177.445 177.584 -0.069 0.000 1.172 210 A CA -0.495 51.395 52.037 -0.245 0.000 0.973 210 A CB -0.045 18.979 19.000 0.040 0.000 1.164 210 A HN 0.550 nan 8.150 nan 0.000 0.542 211 D N 0.184 120.589 120.400 0.009 0.000 2.427 211 D HA 0.221 4.860 4.640 -0.002 0.000 0.226 211 D C -0.282 176.302 176.300 0.473 0.000 1.076 211 D CA -0.156 53.997 54.000 0.254 0.000 0.849 211 D CB 0.966 41.951 40.800 0.308 0.000 1.052 211 D HN 0.204 nan 8.370 nan 0.000 0.515 212 D N 2.701 123.372 120.400 0.452 0.000 2.333 212 D HA -0.076 4.563 4.640 -0.002 0.000 0.208 212 D C 0.963 177.418 176.300 0.258 0.000 0.984 212 D CA 0.528 54.758 54.000 0.382 0.000 0.873 212 D CB 0.431 41.415 40.800 0.307 0.000 0.935 212 D HN 0.510 nan 8.370 nan 0.000 0.521 213 Y N 1.099 121.548 120.300 0.248 0.000 2.230 213 Y HA 0.059 4.608 4.550 -0.002 0.000 0.294 213 Y C 2.200 178.173 175.900 0.122 0.000 1.120 213 Y CA 0.536 58.817 58.100 0.302 0.000 1.129 213 Y CB -0.312 38.301 38.460 0.257 0.000 1.040 213 Y HN -0.103 nan 8.280 nan 0.000 0.519 214 N N 0.102 118.975 118.700 0.289 0.000 2.453 214 N HA -0.083 4.656 4.740 -0.002 0.000 0.183 214 N C 1.797 177.342 175.510 0.057 0.000 1.041 214 N CA 0.926 54.076 53.050 0.167 0.000 0.900 214 N CB -0.187 38.423 38.487 0.204 0.000 0.961 214 N HN 0.342 nan 8.380 nan 0.000 0.443 215 A N 1.122 123.966 122.820 0.039 0.000 1.972 215 A HA -0.061 4.258 4.320 -0.002 0.000 0.219 215 A C 1.855 179.313 177.584 -0.210 0.000 1.169 215 A CA 1.064 53.059 52.037 -0.071 0.000 0.635 215 A CB 0.069 18.977 19.000 -0.154 0.000 0.810 215 A HN 0.152 nan 8.150 nan 0.000 0.446 216 R N -1.196 119.055 120.500 -0.414 0.000 2.472 216 R HA 0.299 4.637 4.340 -0.002 0.000 0.279 216 R C 0.093 175.983 176.300 -0.683 0.000 0.953 216 R CA 0.396 56.066 56.100 -0.717 0.000 1.088 216 R CB 0.040 29.580 30.300 -1.267 0.000 1.197 216 R HN 0.321 nan 8.270 nan 0.000 0.536 217 V N 1.861 121.540 119.914 -0.393 0.000 5.820 217 V HA -0.282 3.837 4.120 -0.002 0.000 0.300 217 V C -0.098 175.844 176.094 -0.253 0.000 0.585 217 V CA 0.880 63.026 62.300 -0.257 0.000 0.629 217 V CB -2.506 29.145 31.823 -0.286 0.000 0.291 217 V HN 0.321 nan 8.190 nan 0.000 0.887 218 Y N -0.065 120.240 120.300 0.008 0.000 2.425 218 Y HA 0.421 4.969 4.550 -0.002 0.000 0.331 218 Y C 0.824 176.809 175.900 0.141 0.000 1.157 218 Y CA -0.149 57.974 58.100 0.039 0.000 1.372 218 Y CB 0.627 39.131 38.460 0.072 0.000 1.253 218 Y HN 0.388 nan 8.280 nan 0.000 0.536 219 M N 3.977 123.737 119.600 0.268 0.000 2.300 219 M HA 0.358 4.836 4.480 -0.002 0.000 0.348 219 M C -0.099 176.421 176.300 0.366 0.000 1.151 219 M CA -0.441 55.023 55.300 0.272 0.000 1.046 219 M CB 1.223 33.900 32.600 0.128 0.000 1.647 219 M HN 0.561 nan 8.290 nan 0.000 0.451 220 R N 1.087 121.887 120.500 0.500 0.000 2.784 220 R HA 0.088 4.426 4.340 -0.002 0.000 0.266 220 R C 1.234 177.727 176.300 0.322 0.000 1.044 220 R CA -0.075 56.225 56.100 0.332 0.000 1.151 220 R CB 0.381 30.848 30.300 0.278 0.000 1.037 220 R HN 0.711 nan 8.270 nan 0.000 0.478 221 R N 1.606 122.254 120.500 0.247 0.000 2.091 221 R HA -0.210 4.129 4.340 -0.002 0.000 0.238 221 R C 1.177 177.640 176.300 0.272 0.000 1.136 221 R CA 1.969 58.232 56.100 0.272 0.000 0.959 221 R CB 0.070 30.550 30.300 0.300 0.000 0.856 221 R HN 0.551 nan 8.270 nan 0.000 0.437 222 E N -0.543 119.690 120.200 0.055 0.000 2.153 222 E HA -0.148 4.201 4.350 -0.002 0.000 0.194 222 E C 1.545 178.141 176.600 -0.008 0.000 0.988 222 E CA 1.266 57.471 56.400 -0.326 0.000 0.811 222 E CB -0.167 29.238 29.700 -0.491 0.000 0.746 222 E HN 0.308 nan 8.360 nan 0.000 0.466 223 F N 0.015 120.030 119.950 0.109 0.000 2.456 223 F HA 0.083 4.608 4.527 -0.002 0.000 0.298 223 F C 1.966 177.917 175.800 0.251 0.000 1.104 223 F CA 0.756 58.879 58.000 0.205 0.000 1.435 223 F CB 0.156 39.288 39.000 0.220 0.000 1.078 223 F HN -0.123 nan 8.300 nan 0.000 0.546 224 R N -0.528 120.202 120.500 0.383 0.000 2.210 224 R HA 0.030 4.369 4.340 -0.002 0.000 0.203 224 R C 1.489 177.949 176.300 0.267 0.000 1.010 224 R CA 0.858 57.137 56.100 0.299 0.000 1.008 224 R CB 0.055 30.485 30.300 0.218 0.000 0.923 224 R HN 0.320 nan 8.270 nan 0.000 0.469 225 E N -1.385 118.994 120.200 0.299 0.000 2.367 225 E HA 0.080 4.429 4.350 -0.002 0.000 0.204 225 E C 1.150 177.945 176.600 0.325 0.000 0.840 225 E CA 0.262 56.850 56.400 0.313 0.000 1.051 225 E CB 0.800 30.732 29.700 0.386 0.000 1.051 225 E HN 0.245 nan 8.360 nan 0.000 0.509 226 G N 0.293 109.276 108.800 0.305 0.000 3.523 226 G HA2 -0.030 3.929 3.960 -0.002 0.000 0.270 226 G HA3 -0.030 3.929 3.960 -0.002 0.000 0.270 226 G C 0.628 175.508 174.900 -0.033 0.000 1.134 226 G CA -0.396 44.806 45.100 0.170 0.000 0.825 226 G HN 0.060 nan 8.290 nan 0.000 0.534 227 F N 1.383 121.241 119.950 -0.154 0.000 2.120 227 F HA -0.145 4.381 4.527 -0.002 0.000 0.300 227 F C 2.304 177.942 175.800 -0.270 0.000 1.095 227 F CA 2.029 59.845 58.000 -0.306 0.000 1.249 227 F CB 0.194 39.035 39.000 -0.265 0.000 0.995 227 F HN 0.389 nan 8.300 nan 0.000 0.480 228 E N -0.320 119.796 120.200 -0.140 0.000 2.150 228 E HA -0.227 4.121 4.350 -0.002 0.000 0.193 228 E C 1.928 178.298 176.600 -0.383 0.000 0.985 228 E CA 1.419 57.664 56.400 -0.259 0.000 0.814 228 E CB -0.027 29.666 29.700 -0.011 0.000 0.752 228 E HN 0.480 nan 8.360 nan 0.000 0.466 229 E N 0.388 120.436 120.200 -0.254 0.000 2.047 229 E HA -0.135 4.213 4.350 -0.002 0.000 0.191 229 E C 1.969 178.363 176.600 -0.343 0.000 0.987 229 E CA 1.164 57.426 56.400 -0.229 0.000 0.799 229 E CB -0.061 29.572 29.700 -0.111 0.000 0.752 229 E HN 0.309 nan 8.360 nan 0.000 0.449 230 I N 0.562 120.863 120.570 -0.448 0.000 2.099 230 I HA -0.331 3.838 4.170 -0.002 0.000 0.239 230 I C 2.218 178.001 176.117 -0.557 0.000 1.066 230 I CA 1.481 62.471 61.300 -0.516 0.000 1.324 230 I CB -0.523 37.048 38.000 -0.715 0.000 1.037 230 I HN 0.127 nan 8.210 nan 0.000 0.401 231 T N 0.233 114.315 114.554 -0.788 0.000 2.714 231 T HA -0.284 4.064 4.350 -0.002 0.000 0.268 231 T C 1.961 176.317 174.700 -0.573 0.000 1.036 231 T CA 1.459 63.115 62.100 -0.740 0.000 1.148 231 T CB -0.377 67.946 68.868 -0.908 0.000 0.856 231 T HN 0.268 nan 8.240 nan 0.000 0.462 232 R N 0.849 120.996 120.500 -0.588 0.000 2.200 232 R HA -0.017 4.322 4.340 -0.002 0.000 0.234 232 R C 1.852 178.012 176.300 -0.234 0.000 1.127 232 R CA 0.904 56.766 56.100 -0.396 0.000 0.989 232 R CB -0.107 30.019 30.300 -0.290 0.000 0.869 232 R HN 0.437 nan 8.270 nan 0.000 0.459 233 N N 0.191 118.741 118.700 -0.250 0.000 2.412 233 N HA -0.024 4.715 4.740 -0.002 0.000 0.184 233 N C 0.320 175.746 175.510 -0.140 0.000 1.101 233 N CA 0.502 53.444 53.050 -0.181 0.000 0.881 233 N CB 0.769 39.138 38.487 -0.197 0.000 0.969 233 N HN 0.043 nan 8.380 nan 0.000 0.459 234 V N -2.432 117.389 119.914 -0.155 0.000 3.046 234 V HA 0.455 4.574 4.120 -0.002 0.000 0.316 234 V C 0.613 176.658 176.094 -0.082 0.000 1.104 234 V CA -0.744 61.493 62.300 -0.105 0.000 1.006 234 V CB 2.399 34.158 31.823 -0.108 0.000 1.058 234 V HN -0.155 nan 8.190 nan 0.000 0.440 235 E N 0.962 121.113 120.200 -0.082 0.000 2.330 235 E HA 0.385 4.734 4.350 -0.002 0.000 0.200 235 E C -0.201 176.242 176.600 -0.262 0.000 0.922 235 E CA 0.233 56.562 56.400 -0.118 0.000 0.935 235 E CB 0.826 30.491 29.700 -0.059 0.000 0.917 235 E HN 0.631 nan 8.360 nan 0.000 0.491 236 L N -0.390 120.701 121.223 -0.220 0.000 2.283 236 L HA 0.773 5.112 4.340 -0.002 0.000 0.259 236 L C -0.862 176.046 176.870 0.063 0.000 1.027 236 L CA -1.178 53.580 54.840 -0.136 0.000 0.828 236 L CB 2.062 43.960 42.059 -0.269 0.000 1.380 236 L HN -0.153 nan 8.230 nan 0.000 0.425 237 A N 1.183 124.140 122.820 0.228 0.000 2.517 237 A HA 0.801 5.120 4.320 -0.002 0.000 0.297 237 A C -1.385 176.348 177.584 0.249 0.000 1.050 237 A CA -0.287 51.875 52.037 0.207 0.000 0.694 237 A CB 1.338 20.442 19.000 0.173 0.000 1.277 237 A HN 0.572 nan 8.150 nan 0.000 0.400 238 I N 3.753 124.433 120.570 0.183 0.000 2.410 238 I HA 0.344 4.512 4.170 -0.002 0.000 0.286 238 I C -0.837 175.338 176.117 0.096 0.000 1.009 238 I CA -0.552 60.826 61.300 0.131 0.000 1.111 238 I CB 1.430 39.502 38.000 0.120 0.000 1.262 238 I HN 0.430 nan 8.210 nan 0.000 0.443 239 I N 5.416 126.068 120.570 0.137 0.000 2.392 239 I HA 0.535 4.704 4.170 -0.002 0.000 0.295 239 I C 0.435 176.620 176.117 0.113 0.000 0.985 239 I CA 0.021 61.408 61.300 0.145 0.000 1.221 239 I CB 1.466 39.731 38.000 0.441 0.000 1.366 239 I HN 0.685 nan 8.210 nan 0.000 0.467 240 S N 2.049 117.809 115.700 0.100 0.000 2.672 240 S HA 0.754 5.223 4.470 -0.002 0.000 0.271 240 S C 0.246 174.946 174.600 0.166 0.000 1.171 240 S CA -0.096 58.134 58.200 0.050 0.000 0.817 240 S CB 1.596 64.770 63.200 -0.043 0.000 1.150 240 S HN 1.311 nan 8.310 nan 0.000 0.478 241 G N -0.512 108.339 108.800 0.084 0.000 2.176 241 G HA2 -0.200 3.758 3.960 -0.002 0.000 0.253 241 G HA3 -0.200 3.758 3.960 -0.002 0.000 0.253 241 G C 0.407 175.366 174.900 0.097 0.000 0.979 241 G CA 0.301 45.465 45.100 0.108 0.000 0.641 241 G HN 0.823 nan 8.290 nan 0.000 0.530 242 L N 1.831 123.125 121.223 0.119 0.000 2.395 242 L HA 0.100 4.439 4.340 -0.002 0.000 0.218 242 L C 2.911 179.797 176.870 0.027 0.000 1.130 242 L CA 2.108 56.997 54.840 0.081 0.000 0.826 242 L CB -0.608 41.545 42.059 0.156 0.000 0.941 242 L HN 0.698 nan 8.230 nan 0.000 0.451 243 Q N 0.252 120.058 119.800 0.011 0.000 2.508 243 Q HA -0.106 4.233 4.340 -0.002 0.000 0.214 243 Q C 1.578 177.572 176.000 -0.010 0.000 0.979 243 Q CA 1.698 57.494 55.803 -0.011 0.000 0.911 243 Q CB -0.803 27.934 28.738 -0.001 0.000 0.969 243 Q HN 0.474 nan 8.270 nan 0.000 0.504 244 V N -2.245 117.673 119.914 0.007 0.000 3.235 244 V HA 0.172 4.291 4.120 -0.002 0.000 0.259 244 V C 1.334 177.431 176.094 0.006 0.000 1.133 244 V CA -0.088 62.218 62.300 0.010 0.000 1.128 244 V CB -0.576 31.260 31.823 0.021 0.000 0.757 244 V HN 0.130 nan 8.190 nan 0.000 0.469 245 L N 2.023 123.250 121.223 0.006 0.000 2.540 245 L HA 0.167 4.506 4.340 -0.002 0.000 0.276 245 L C 0.550 177.391 176.870 -0.049 0.000 1.212 245 L CA 0.778 55.644 54.840 0.044 0.000 0.893 245 L CB 0.026 42.111 42.059 0.045 0.000 1.138 245 L HN 0.290 nan 8.230 nan 0.000 0.491 246 K N 2.349 122.692 120.400 -0.095 0.000 2.166 246 K HA 0.204 4.522 4.320 -0.002 0.000 0.245 246 K C 0.643 177.016 176.600 -0.380 0.000 0.967 246 K CA -0.803 55.264 56.287 -0.366 0.000 0.863 246 K CB 1.997 34.087 32.500 -0.683 0.000 1.107 246 K HN 0.511 nan 8.250 nan 0.000 0.436 247 E N 0.649 120.589 120.200 -0.434 0.000 2.072 247 E HA -0.094 4.255 4.350 -0.002 0.000 0.191 247 E C -0.375 175.798 176.600 -0.710 0.000 0.985 247 E CA 1.463 57.541 56.400 -0.537 0.000 0.801 247 E CB 0.276 29.527 29.700 -0.748 0.000 0.750 247 E HN 0.370 nan 8.360 nan 0.000 0.452 248 Y N -1.645 118.510 120.300 -0.242 0.000 2.477 248 Y HA 0.366 4.914 4.550 -0.002 0.000 0.347 248 Y C -0.913 174.712 175.900 -0.459 0.000 0.981 248 Y CA -1.167 56.802 58.100 -0.217 0.000 1.033 248 Y CB 1.400 39.798 38.460 -0.102 0.000 1.245 248 Y HN -0.151 nan 8.280 nan 0.000 0.455 249 Y N 1.567 121.956 120.300 0.149 0.000 2.509 249 Y HA 0.330 4.878 4.550 -0.002 0.000 0.341 249 Y C -1.683 174.250 175.900 0.054 0.000 1.038 249 Y CA -2.326 55.808 58.100 0.058 0.000 1.089 249 Y CB 1.519 39.988 38.460 0.015 0.000 1.241 249 Y HN 0.410 nan 8.280 nan 0.000 0.468 250 P HA -0.162 nan 4.420 nan 0.000 0.219 250 P C 0.341 177.695 177.300 0.091 0.000 1.146 250 P CA 1.566 64.728 63.100 0.102 0.000 0.808 250 P CB 0.106 31.855 31.700 0.081 0.000 0.779 251 D N -1.416 119.051 120.400 0.112 0.000 2.344 251 D HA 0.122 4.760 4.640 -0.002 0.000 0.242 251 D C 1.320 177.665 176.300 0.075 0.000 1.159 251 D CA 0.208 54.252 54.000 0.073 0.000 0.859 251 D CB -1.220 39.613 40.800 0.054 0.000 0.925 251 D HN 0.212 nan 8.370 nan 0.000 0.510 252 G N 0.128 108.984 108.800 0.093 0.000 2.168 252 G HA2 -0.299 3.659 3.960 -0.002 0.000 0.263 252 G HA3 -0.299 3.659 3.960 -0.002 0.000 0.263 252 G C 0.518 175.486 174.900 0.114 0.000 0.977 252 G CA 0.821 45.970 45.100 0.082 0.000 0.659 252 G HN 0.781 nan 8.290 nan 0.000 0.533 253 T N -1.506 113.145 114.554 0.160 0.000 2.881 253 T HA 0.795 5.143 4.350 -0.002 0.000 0.278 253 T C 0.310 175.174 174.700 0.274 0.000 0.982 253 T CA 0.533 62.727 62.100 0.156 0.000 0.989 253 T CB 2.240 71.158 68.868 0.084 0.000 1.058 253 T HN 1.315 nan 8.240 nan 0.000 0.529 254 T N -1.811 112.854 114.554 0.185 0.000 2.838 254 T HA 0.384 4.733 4.350 -0.002 0.000 0.292 254 T C 0.828 175.579 174.700 0.086 0.000 1.113 254 T CA -0.567 61.624 62.100 0.152 0.000 1.008 254 T CB 0.770 69.643 68.868 0.009 0.000 1.259 254 T HN 0.785 nan 8.240 nan 0.000 0.520 255 Y N 0.418 120.717 120.300 -0.001 0.000 2.256 255 Y HA 0.087 4.635 4.550 -0.002 0.000 0.288 255 Y C 2.131 177.996 175.900 -0.059 0.000 1.155 255 Y CA 1.189 59.275 58.100 -0.022 0.000 1.203 255 Y CB -0.582 37.817 38.460 -0.102 0.000 0.980 255 Y HN 0.401 nan 8.280 nan 0.000 0.530 256 K N 1.164 120.944 120.400 -1.035 0.000 2.113 256 K HA -0.177 4.142 4.320 -0.002 0.000 0.208 256 K C 1.430 177.832 176.600 -0.331 0.000 1.047 256 K CA 1.653 57.493 56.287 -0.745 0.000 0.928 256 K CB -0.821 31.287 32.500 -0.654 0.000 0.716 256 K HN 0.504 nan 8.250 nan 0.000 0.446 257 D N -0.475 119.785 120.400 -0.232 0.000 2.116 257 D HA -0.141 4.497 4.640 -0.002 0.000 0.193 257 D C 1.881 178.085 176.300 -0.160 0.000 0.998 257 D CA 1.252 55.161 54.000 -0.151 0.000 0.836 257 D CB -0.124 40.617 40.800 -0.099 0.000 0.951 257 D HN -0.020 nan 8.370 nan 0.000 0.449 258 V N 0.674 120.491 119.914 -0.162 0.000 2.255 258 V HA -0.153 3.966 4.120 -0.002 0.000 0.243 258 V C 2.660 178.631 176.094 -0.204 0.000 1.038 258 V CA 0.945 63.130 62.300 -0.191 0.000 1.008 258 V CB -0.624 31.090 31.823 -0.181 0.000 0.645 258 V HN 0.189 nan 8.190 nan 0.000 0.449 259 L N 0.153 121.289 121.223 -0.144 0.000 2.129 259 L HA -0.240 4.099 4.340 -0.002 0.000 0.212 259 L C 2.347 179.121 176.870 -0.161 0.000 1.087 259 L CA 1.580 56.347 54.840 -0.122 0.000 0.757 259 L CB -0.824 41.222 42.059 -0.022 0.000 0.896 259 L HN 0.373 nan 8.230 nan 0.000 0.434 260 D N -0.135 120.160 120.400 -0.174 0.000 2.117 260 D HA -0.155 4.483 4.640 -0.002 0.000 0.197 260 D C 2.359 178.537 176.300 -0.203 0.000 0.987 260 D CA 1.076 54.977 54.000 -0.164 0.000 0.829 260 D CB -0.026 40.684 40.800 -0.149 0.000 0.961 260 D HN 0.177 nan 8.370 nan 0.000 0.460 261 R N -0.086 120.262 120.500 -0.253 0.000 2.090 261 R HA -0.030 4.309 4.340 -0.002 0.000 0.228 261 R C 2.251 178.210 176.300 -0.569 0.000 1.110 261 R CA 0.477 56.352 56.100 -0.375 0.000 0.973 261 R CB -0.087 30.001 30.300 -0.355 0.000 0.869 261 R HN 0.054 nan 8.270 nan 0.000 0.440 262 V N 0.861 120.528 119.914 -0.412 0.000 2.358 262 V HA -0.197 3.922 4.120 -0.002 0.000 0.246 262 V C 2.245 178.212 176.094 -0.210 0.000 1.047 262 V CA 1.586 63.711 62.300 -0.293 0.000 1.035 262 V CB -0.381 31.351 31.823 -0.153 0.000 0.658 262 V HN 0.358 nan 8.190 nan 0.000 0.452 263 E N 0.637 120.720 120.200 -0.195 0.000 2.153 263 E HA -0.194 4.154 4.350 -0.002 0.000 0.194 263 E C 2.362 178.886 176.600 -0.127 0.000 0.988 263 E CA 1.609 57.916 56.400 -0.155 0.000 0.811 263 E CB -0.023 29.601 29.700 -0.127 0.000 0.746 263 E HN 0.735 nan 8.360 nan 0.000 0.466 264 S N -1.448 114.159 115.700 -0.155 0.000 2.489 264 S HA -0.076 4.393 4.470 -0.002 0.000 0.228 264 S C 1.610 176.215 174.600 0.009 0.000 0.995 264 S CA 0.564 58.715 58.200 -0.081 0.000 0.934 264 S CB -0.388 62.753 63.200 -0.099 0.000 0.771 264 S HN 0.404 nan 8.310 nan 0.000 0.522 265 H N 0.825 119.793 119.070 -0.170 0.000 2.372 265 H HA 0.234 4.788 4.556 -0.002 0.000 0.301 265 H C 1.924 177.274 175.328 0.036 0.000 1.065 265 H CA 1.166 57.050 56.048 -0.273 0.000 1.364 265 H CB -0.036 29.345 29.762 -0.635 0.000 1.406 265 H HN 0.295 nan 8.280 nan 0.000 0.521 266 L N 0.688 121.942 121.223 0.052 0.000 2.083 266 L HA -0.197 4.142 4.340 -0.002 0.000 0.209 266 L C 1.943 178.814 176.870 0.002 0.000 1.083 266 L CA 0.727 55.527 54.840 -0.066 0.000 0.752 266 L CB -0.289 41.589 42.059 -0.303 0.000 0.899 266 L HN 0.338 nan 8.230 nan 0.000 0.433 267 N N 0.288 119.004 118.700 0.027 0.000 2.244 267 N HA -0.099 4.640 4.740 -0.002 0.000 0.183 267 N C 1.879 177.464 175.510 0.124 0.000 1.016 267 N CA 1.263 54.342 53.050 0.048 0.000 0.866 267 N CB -0.115 38.390 38.487 0.031 0.000 0.980 267 N HN 0.364 nan 8.380 nan 0.000 0.430 268 I N 0.576 121.275 120.570 0.215 0.000 2.353 268 I HA -0.149 4.019 4.170 -0.002 0.000 0.248 268 I C 2.011 178.315 176.117 0.311 0.000 1.119 268 I CA 0.583 62.068 61.300 0.307 0.000 1.417 268 I CB -0.155 38.087 38.000 0.404 0.000 1.078 268 I HN 0.038 nan 8.210 nan 0.000 0.421 269 L N 0.561 121.935 121.223 0.252 0.000 2.046 269 L HA -0.222 4.116 4.340 -0.002 0.000 0.208 269 L C 2.376 179.338 176.870 0.153 0.000 1.077 269 L CA 1.315 56.256 54.840 0.168 0.000 0.747 269 L CB -0.722 41.427 42.059 0.150 0.000 0.896 269 L HN 0.325 nan 8.230 nan 0.000 0.432 270 N N 0.136 118.902 118.700 0.110 0.000 2.084 270 N HA -0.173 4.566 4.740 -0.002 0.000 0.190 270 N C 1.877 177.433 175.510 0.077 0.000 1.030 270 N CA 1.122 54.216 53.050 0.074 0.000 0.849 270 N CB -0.284 38.223 38.487 0.034 0.000 1.012 270 N HN 0.207 nan 8.380 nan 0.000 0.423 271 R N -0.371 120.181 120.500 0.087 0.000 2.170 271 R HA -0.137 4.201 4.340 -0.002 0.000 0.242 271 R C 0.713 176.940 176.300 -0.122 0.000 1.145 271 R CA 1.143 57.236 56.100 -0.012 0.000 0.984 271 R CB -0.119 30.177 30.300 -0.007 0.000 0.869 271 R HN 0.385 nan 8.270 nan 0.000 0.455 272 Y N 0.093 120.393 120.300 0.000 0.000 2.555 272 Y HA 0.178 4.726 4.550 -0.002 0.000 0.259 272 Y C 0.169 176.067 175.900 -0.003 0.000 1.179 272 Y CA -0.506 57.587 58.100 -0.012 0.000 1.230 272 Y CB 0.310 38.747 38.460 -0.039 0.000 1.146 272 Y HN 0.037 nan 8.280 nan 0.000 0.526 273 N N -0.204 118.565 118.700 0.115 0.000 2.740 273 N HA -0.164 4.574 4.740 -0.002 0.000 0.248 273 N C -0.791 174.776 175.510 0.094 0.000 1.062 273 N CA 0.541 53.644 53.050 0.089 0.000 0.704 273 N CB -1.526 37.002 38.487 0.068 0.000 0.968 273 N HN 0.039 nan 8.380 nan 0.000 0.547 274 V N 0.999 120.971 119.914 0.096 0.000 2.498 274 V HA 0.098 4.217 4.120 -0.002 0.000 0.279 274 V C 0.861 177.003 176.094 0.079 0.000 1.048 274 V CA -0.391 61.941 62.300 0.054 0.000 0.967 274 V CB 1.445 33.289 31.823 0.035 0.000 0.988 274 V HN 0.004 nan 8.190 nan 0.000 0.473 275 K N 3.874 124.300 120.400 0.044 0.000 2.297 275 K HA 0.365 4.684 4.320 -0.002 0.000 0.286 275 K C 0.083 176.882 176.600 0.332 0.000 1.053 275 K CA 0.059 56.444 56.287 0.165 0.000 0.940 275 K CB 1.240 33.773 32.500 0.056 0.000 1.019 275 K HN 0.805 nan 8.250 nan 0.000 0.475 276 S N 1.984 117.904 115.700 0.367 0.000 2.500 276 S HA 0.309 4.777 4.470 -0.002 0.000 0.301 276 S C -0.729 174.028 174.600 0.261 0.000 1.092 276 S CA -0.915 57.509 58.200 0.372 0.000 1.030 276 S CB 1.873 65.303 63.200 0.383 0.000 1.031 276 S HN 0.658 nan 8.310 nan 0.000 0.483 277 H N 2.284 121.208 119.070 -0.243 0.000 2.469 277 H HA 0.536 5.091 4.556 -0.002 0.000 0.342 277 H C -1.907 173.201 175.328 -0.365 0.000 1.115 277 H CA -0.659 55.053 56.048 -0.561 0.000 1.204 277 H CB 1.315 30.280 29.762 -1.329 0.000 1.492 277 H HN 0.654 nan 8.280 nan 0.000 0.499 278 F N 4.454 123.664 119.950 -1.233 0.000 2.444 278 F HA 0.232 4.758 4.527 -0.002 0.000 0.342 278 F C -0.333 174.969 175.800 -0.830 0.000 1.121 278 F CA -0.923 56.350 58.000 -1.210 0.000 0.997 278 F CB 1.231 39.106 39.000 -1.874 0.000 1.130 278 F HN 0.470 nan 8.300 nan 0.000 0.454 279 E N 7.091 126.705 120.200 -0.976 0.000 1.941 279 E HA 0.017 4.365 4.350 -0.002 0.000 0.275 279 E C -0.632 175.342 176.600 -1.043 0.000 1.113 279 E CA -0.061 55.932 56.400 -0.679 0.000 0.878 279 E CB 0.288 29.790 29.700 -0.329 0.000 1.070 279 E HN 0.642 nan 8.360 nan 0.000 0.399 280 F N 2.483 121.878 119.950 -0.925 0.000 2.662 280 F HA 0.127 4.652 4.527 -0.002 0.000 0.365 280 F C 0.896 176.497 175.800 -0.332 0.000 1.222 280 F CA -0.641 56.949 58.000 -0.684 0.000 1.315 280 F CB 0.062 38.903 39.000 -0.265 0.000 1.711 280 F HN 0.368 nan 8.300 nan 0.000 0.651 281 A N 2.990 125.764 122.820 -0.077 0.000 2.466 281 A HA -0.059 4.259 4.320 -0.002 0.000 0.238 281 A C -0.661 177.026 177.584 0.171 0.000 1.074 281 A CA -0.341 51.719 52.037 0.039 0.000 0.774 281 A CB -0.044 18.945 19.000 -0.020 0.000 1.015 281 A HN 0.629 nan 8.150 nan 0.000 0.498 282 Y N 1.502 121.835 120.300 0.055 0.000 2.802 282 Y HA 0.163 4.712 4.550 -0.002 0.000 0.333 282 Y C 0.354 176.303 175.900 0.081 0.000 1.244 282 Y CA 1.360 59.496 58.100 0.059 0.000 1.558 282 Y CB 0.192 38.661 38.460 0.015 0.000 1.233 282 Y HN 0.512 nan 8.280 nan 0.000 0.547 283 T N 7.937 122.128 114.554 -0.605 0.000 2.947 283 T HA 0.445 4.793 4.350 -0.002 0.000 0.337 283 T C 1.137 175.439 174.700 -0.664 0.000 1.139 283 T CA -0.028 61.817 62.100 -0.425 0.000 0.992 283 T CB 0.931 69.735 68.868 -0.106 0.000 1.043 283 T HN 0.859 nan 8.240 nan 0.000 0.498 284 A N 3.143 125.645 122.820 -0.531 0.000 1.958 284 A HA -0.129 4.190 4.320 -0.002 0.000 0.221 284 A C 1.416 178.898 177.584 -0.172 0.000 1.178 284 A CA 1.112 53.004 52.037 -0.241 0.000 0.642 284 A CB -0.335 18.680 19.000 0.025 0.000 0.816 284 A HN 0.691 nan 8.150 nan 0.000 0.453 285 N N -0.390 118.200 118.700 -0.183 0.000 2.475 285 N HA 0.062 4.801 4.740 -0.002 0.000 0.267 285 N C 0.924 176.322 175.510 -0.186 0.000 1.169 285 N CA -0.117 52.825 53.050 -0.179 0.000 0.947 285 N CB 0.523 38.874 38.487 -0.227 0.000 1.061 285 N HN 0.366 nan 8.380 nan 0.000 0.466 286 R N 2.917 123.329 120.500 -0.147 0.000 2.066 286 R HA 0.000 4.339 4.340 -0.002 0.000 0.232 286 R C 1.885 178.091 176.300 -0.157 0.000 1.131 286 R CA 1.060 57.087 56.100 -0.123 0.000 0.955 286 R CB 0.087 30.340 30.300 -0.077 0.000 0.851 286 R HN 0.605 nan 8.270 nan 0.000 0.432 287 R N 0.120 120.496 120.500 -0.206 0.000 2.091 287 R HA -0.108 4.231 4.340 -0.002 0.000 0.238 287 R C 2.265 178.294 176.300 -0.451 0.000 1.136 287 R CA 1.417 57.354 56.100 -0.272 0.000 0.959 287 R CB -0.597 29.527 30.300 -0.292 0.000 0.856 287 R HN 0.120 nan 8.270 nan 0.000 0.437 288 V N 1.030 120.611 119.914 -0.555 0.000 2.358 288 V HA -0.218 3.901 4.120 -0.002 0.000 0.246 288 V C 2.569 178.500 176.094 -0.272 0.000 1.047 288 V CA 1.637 63.568 62.300 -0.614 0.000 1.035 288 V CB -0.605 30.937 31.823 -0.469 0.000 0.658 288 V HN 0.306 nan 8.190 nan 0.000 0.452 289 R N -0.186 120.217 120.500 -0.162 0.000 2.091 289 R HA -0.205 4.134 4.340 -0.002 0.000 0.238 289 R C 2.434 178.769 176.300 0.058 0.000 1.136 289 R CA 1.640 57.744 56.100 0.006 0.000 0.959 289 R CB -0.203 30.078 30.300 -0.032 0.000 0.856 289 R HN 0.430 nan 8.270 nan 0.000 0.437 290 E N 0.351 120.533 120.200 -0.031 0.000 2.106 290 E HA -0.126 4.223 4.350 -0.002 0.000 0.192 290 E C 1.693 178.303 176.600 0.016 0.000 0.984 290 E CA 1.352 57.752 56.400 0.000 0.000 0.806 290 E CB -0.110 29.573 29.700 -0.029 0.000 0.750 290 E HN 0.421 nan 8.360 nan 0.000 0.458 291 A N 1.034 123.833 122.820 -0.036 0.000 1.877 291 A HA -0.139 4.180 4.320 -0.002 0.000 0.216 291 A C 2.478 180.066 177.584 0.007 0.000 1.186 291 A CA 1.271 53.315 52.037 0.010 0.000 0.620 291 A CB -0.756 18.268 19.000 0.041 0.000 0.822 291 A HN 0.288 nan 8.150 nan 0.000 0.443 292 L N -0.385 120.828 121.223 -0.017 0.000 2.083 292 L HA -0.165 4.173 4.340 -0.002 0.000 0.209 292 L C 2.466 179.356 176.870 0.033 0.000 1.083 292 L CA 1.068 55.850 54.840 -0.097 0.000 0.752 292 L CB -0.557 41.369 42.059 -0.222 0.000 0.899 292 L HN 0.254 nan 8.230 nan 0.000 0.433 293 V N -0.170 119.880 119.914 0.227 0.000 2.490 293 V HA -0.235 3.883 4.120 -0.002 0.000 0.250 293 V C 2.154 178.331 176.094 0.138 0.000 1.061 293 V CA 1.625 64.088 62.300 0.271 0.000 1.064 293 V CB -0.545 31.397 31.823 0.198 0.000 0.670 293 V HN 0.503 nan 8.190 nan 0.000 0.461 294 E N -0.265 119.982 120.200 0.078 0.000 2.427 294 E HA -0.015 4.333 4.350 -0.002 0.000 0.196 294 E C 2.047 178.663 176.600 0.026 0.000 1.028 294 E CA 0.459 56.888 56.400 0.048 0.000 0.864 294 E CB 0.029 29.750 29.700 0.035 0.000 0.813 294 E HN 0.506 nan 8.360 nan 0.000 0.514 295 L N 0.647 121.873 121.223 0.005 0.000 2.307 295 L HA -0.022 4.317 4.340 -0.002 0.000 0.211 295 L C 2.200 179.089 176.870 0.031 0.000 1.099 295 L CA 0.159 54.975 54.840 -0.041 0.000 0.816 295 L CB -0.017 41.969 42.059 -0.122 0.000 0.952 295 L HN 0.208 nan 8.230 nan 0.000 0.455 296 L N 0.459 121.747 121.223 0.109 0.000 2.051 296 L HA -0.229 4.110 4.340 -0.002 0.000 0.214 296 L C -0.284 176.702 176.870 0.193 0.000 1.076 296 L CA 1.826 56.798 54.840 0.219 0.000 0.758 296 L CB -1.901 40.289 42.059 0.218 0.000 0.890 296 L HN 0.251 nan 8.230 nan 0.000 0.433 297 P HA -0.191 nan 4.420 nan 0.000 0.220 297 P C 1.059 178.395 177.300 0.061 0.000 1.144 297 P CA 1.393 64.545 63.100 0.086 0.000 0.800 297 P CB -0.063 31.670 31.700 0.055 0.000 0.772 298 K N -2.180 118.220 120.400 0.000 0.000 2.444 298 K HA 0.095 4.414 4.320 -0.002 0.000 0.193 298 K C 0.371 176.873 176.600 -0.164 0.000 1.024 298 K CA 0.190 56.413 56.287 -0.108 0.000 1.077 298 K CB -0.019 32.348 32.500 -0.222 0.000 0.833 298 K HN 0.241 nan 8.250 nan 0.000 0.517 299 F N -0.138 119.822 119.950 0.016 0.000 2.432 299 F HA 0.090 4.615 4.527 -0.002 0.000 0.329 299 F C 1.749 177.601 175.800 0.086 0.000 1.076 299 F CA -0.439 57.584 58.000 0.037 0.000 1.018 299 F CB 1.783 40.788 39.000 0.008 0.000 1.201 299 F HN -0.201 nan 8.300 nan 0.000 0.489 300 T N -0.403 114.367 114.554 0.360 0.000 2.937 300 T HA -0.028 4.320 4.350 -0.002 0.000 0.260 300 T C 0.440 175.330 174.700 0.317 0.000 1.051 300 T CA 0.756 63.043 62.100 0.312 0.000 1.141 300 T CB 0.057 69.129 68.868 0.341 0.000 0.879 300 T HN 0.421 nan 8.240 nan 0.000 0.459 301 S N 0.120 115.979 115.700 0.265 0.000 2.599 301 S HA 0.682 5.151 4.470 -0.002 0.000 0.287 301 S C -1.503 173.042 174.600 -0.092 0.000 1.105 301 S CA -0.708 57.609 58.200 0.195 0.000 0.899 301 S CB 1.638 65.038 63.200 0.334 0.000 1.100 301 S HN 0.027 nan 8.310 nan 0.000 0.482 302 V N 1.179 121.050 119.914 -0.071 0.000 2.925 302 V HA 0.886 5.005 4.120 -0.002 0.000 0.311 302 V C 0.380 176.424 176.094 -0.082 0.000 1.104 302 V CA -0.574 61.577 62.300 -0.248 0.000 0.954 302 V CB 1.751 33.584 31.823 0.017 0.000 1.022 302 V HN 1.098 nan 8.190 nan 0.000 0.427 303 G N 2.548 111.241 108.800 -0.178 0.000 2.617 303 G HA2 0.850 4.809 3.960 -0.002 0.000 0.306 303 G HA3 0.850 4.809 3.960 -0.002 0.000 0.306 303 G C -1.582 173.292 174.900 -0.044 0.000 1.360 303 G CA -0.578 44.568 45.100 0.076 0.000 0.983 303 G HN 0.902 nan 8.290 nan 0.000 0.496 304 L N -0.524 120.625 121.223 -0.123 0.000 2.775 304 L HA 0.663 5.002 4.340 -0.002 0.000 0.263 304 L C -0.684 175.839 176.870 -0.577 0.000 1.017 304 L CA -1.423 53.289 54.840 -0.214 0.000 0.891 304 L CB 1.161 43.163 42.059 -0.095 0.000 1.482 304 L HN 0.607 nan 8.230 nan 0.000 0.410 305 N N -1.317 117.052 118.700 -0.552 0.000 2.879 305 N HA 0.416 5.155 4.740 -0.002 0.000 0.329 305 N C 0.460 175.835 175.510 -0.226 0.000 1.337 305 N CA -0.262 52.337 53.050 -0.751 0.000 0.844 305 N CB 0.400 38.548 38.487 -0.565 0.000 1.236 305 N HN 0.804 nan 8.380 nan 0.000 0.601 306 E N -0.677 119.457 120.200 -0.111 0.000 2.017 306 E HA -0.130 4.219 4.350 -0.002 0.000 0.193 306 E C 1.609 178.245 176.600 0.060 0.000 0.997 306 E CA 1.573 58.069 56.400 0.160 0.000 0.804 306 E CB -0.210 29.567 29.700 0.129 0.000 0.757 306 E HN 0.368 nan 8.360 nan 0.000 0.448 307 V N 1.251 121.158 119.914 -0.011 0.000 2.324 307 V HA -0.304 3.815 4.120 -0.002 0.000 0.250 307 V C 1.988 178.102 176.094 0.034 0.000 1.060 307 V CA 2.214 64.500 62.300 -0.023 0.000 1.042 307 V CB -0.531 31.232 31.823 -0.100 0.000 0.650 307 V HN 0.293 nan 8.190 nan 0.000 0.450 308 E N -0.280 119.933 120.200 0.023 0.000 2.047 308 E HA -0.209 4.140 4.350 -0.002 0.000 0.191 308 E C 2.112 178.657 176.600 -0.092 0.000 0.987 308 E CA 1.244 57.644 56.400 -0.000 0.000 0.799 308 E CB -0.301 29.371 29.700 -0.047 0.000 0.752 308 E HN 0.416 nan 8.360 nan 0.000 0.449 309 L N 1.265 122.465 121.223 -0.038 0.000 2.012 309 L HA -0.179 4.160 4.340 -0.002 0.000 0.210 309 L C 2.208 179.053 176.870 -0.042 0.000 1.073 309 L CA 2.196 57.017 54.840 -0.033 0.000 0.748 309 L CB -0.817 41.290 42.059 0.081 0.000 0.891 309 L HN 0.084 nan 8.230 nan 0.000 0.431 310 A N -0.792 122.026 122.820 -0.003 0.000 1.883 310 A HA -0.260 4.059 4.320 -0.002 0.000 0.217 310 A C 2.517 180.096 177.584 -0.009 0.000 1.186 310 A CA 2.441 54.476 52.037 -0.003 0.000 0.624 310 A CB -1.323 17.683 19.000 0.009 0.000 0.822 310 A HN 0.704 nan 8.150 nan 0.000 0.444 311 S N -0.079 115.626 115.700 0.009 0.000 2.400 311 S HA -0.151 4.318 4.470 -0.002 0.000 0.232 311 S C 1.869 176.428 174.600 -0.068 0.000 1.025 311 S CA 1.561 59.774 58.200 0.021 0.000 0.993 311 S CB -0.717 62.550 63.200 0.111 0.000 0.808 311 S HN 0.488 nan 8.310 nan 0.000 0.478 312 I N 0.671 121.153 120.570 -0.145 0.000 2.286 312 I HA -0.100 4.069 4.170 -0.002 0.000 0.245 312 I C 2.626 178.696 176.117 -0.079 0.000 1.104 312 I CA 1.015 62.212 61.300 -0.172 0.000 1.397 312 I CB -0.297 37.547 38.000 -0.261 0.000 1.072 312 I HN 0.295 nan 8.210 nan 0.000 0.417 313 M N 0.337 119.903 119.600 -0.057 0.000 2.159 313 M HA -0.227 4.252 4.480 -0.002 0.000 0.263 313 M C 2.231 178.522 176.300 -0.016 0.000 1.063 313 M CA 1.687 56.970 55.300 -0.027 0.000 1.110 313 M CB -1.234 31.355 32.600 -0.019 0.000 1.374 313 M HN 0.367 nan 8.290 nan 0.000 0.411 314 E N 1.368 121.559 120.200 -0.015 0.000 2.023 314 E HA -0.234 4.114 4.350 -0.002 0.000 0.196 314 E C 1.952 178.547 176.600 -0.008 0.000 1.003 314 E CA 2.153 58.550 56.400 -0.005 0.000 0.809 314 E CB -0.581 29.122 29.700 0.004 0.000 0.755 314 E HN 0.584 nan 8.360 nan 0.000 0.449 315 I N -0.595 119.965 120.570 -0.015 0.000 2.286 315 I HA -0.158 4.010 4.170 -0.002 0.000 0.248 315 I C 2.534 178.648 176.117 -0.005 0.000 1.115 315 I CA 1.092 62.384 61.300 -0.013 0.000 1.392 315 I CB -0.401 37.588 38.000 -0.019 0.000 1.065 315 I HN 0.147 nan 8.210 nan 0.000 0.418 316 I N 1.710 122.276 120.570 -0.008 0.000 3.083 316 I HA -0.058 4.110 4.170 -0.002 0.000 0.273 316 I C 1.756 177.876 176.117 0.004 0.000 1.297 316 I CA 1.522 62.822 61.300 0.001 0.000 1.452 316 I CB -1.040 36.959 38.000 -0.001 0.000 1.078 316 I HN 0.706 nan 8.210 nan 0.000 0.484 317 G N 0.992 109.793 108.800 0.002 0.000 2.217 317 G HA2 -0.264 3.694 3.960 -0.002 0.000 0.246 317 G HA3 -0.264 3.694 3.960 -0.002 0.000 0.246 317 G C 0.178 175.082 174.900 0.006 0.000 0.990 317 G CA 0.267 45.370 45.100 0.005 0.000 0.627 317 G HN 0.441 nan 8.290 nan 0.000 0.522 318 D N 1.360 121.763 120.400 0.005 0.000 2.608 318 D HA 0.476 5.115 4.640 -0.002 0.000 0.224 318 D C 1.393 177.696 176.300 0.005 0.000 1.123 318 D CA 0.040 54.044 54.000 0.007 0.000 1.030 318 D CB 0.485 41.290 40.800 0.008 0.000 1.093 318 D HN 0.512 nan 8.370 nan 0.000 0.497 319 E N 0.442 120.646 120.200 0.006 0.000 2.204 319 E HA -0.146 4.203 4.350 -0.002 0.000 0.194 319 E C 1.670 178.273 176.600 0.005 0.000 0.989 319 E CA 0.600 57.003 56.400 0.005 0.000 0.824 319 E CB 0.257 29.960 29.700 0.006 0.000 0.756 319 E HN 0.307 nan 8.360 nan 0.000 0.477 320 E N 0.192 120.397 120.200 0.009 0.000 2.112 320 E HA -0.123 4.226 4.350 -0.002 0.000 0.190 320 E C 1.820 178.427 176.600 0.011 0.000 0.979 320 E CA 0.449 56.856 56.400 0.011 0.000 0.814 320 E CB 0.086 29.797 29.700 0.017 0.000 0.762 320 E HN 0.181 nan 8.360 nan 0.000 0.460 321 L N 1.124 122.354 121.223 0.013 0.000 2.027 321 L HA -0.060 4.279 4.340 -0.002 0.000 0.206 321 L C 2.381 179.251 176.870 0.001 0.000 1.074 321 L CA 1.974 56.823 54.840 0.014 0.000 0.745 321 L CB -1.273 40.795 42.059 0.015 0.000 0.898 321 L HN 0.063 nan 8.230 nan 0.000 0.433 322 A N -0.938 121.880 122.820 -0.003 0.000 1.908 322 A HA -0.285 4.034 4.320 -0.002 0.000 0.218 322 A C 2.402 179.977 177.584 -0.016 0.000 1.181 322 A CA 2.065 54.097 52.037 -0.008 0.000 0.627 322 A CB -0.485 18.512 19.000 -0.004 0.000 0.818 322 A HN 0.421 nan 8.150 nan 0.000 0.445 323 K N -0.138 120.251 120.400 -0.019 0.000 2.026 323 K HA -0.167 4.152 4.320 -0.002 0.000 0.208 323 K C 2.019 178.573 176.600 -0.076 0.000 1.048 323 K CA 1.720 57.986 56.287 -0.034 0.000 0.929 323 K CB -0.139 32.348 32.500 -0.022 0.000 0.713 323 K HN 0.761 nan 8.250 nan 0.000 0.439 324 E N 0.158 120.311 120.200 -0.078 0.000 2.152 324 E HA -0.127 4.222 4.350 -0.002 0.000 0.192 324 E C 1.992 178.504 176.600 -0.147 0.000 0.983 324 E CA 1.056 57.354 56.400 -0.170 0.000 0.818 324 E CB -0.139 29.539 29.700 -0.035 0.000 0.758 324 E HN 0.041 nan 8.360 nan 0.000 0.467 325 V N 2.082 121.967 119.914 -0.048 0.000 2.343 325 V HA -0.227 3.892 4.120 -0.002 0.000 0.247 325 V C 2.387 178.483 176.094 0.002 0.000 1.051 325 V CA 1.393 63.687 62.300 -0.010 0.000 1.036 325 V CB -0.443 31.376 31.823 -0.006 0.000 0.654 325 V HN 0.251 nan 8.190 nan 0.000 0.451 326 L N -0.485 120.724 121.223 -0.022 0.000 2.201 326 L HA -0.156 4.183 4.340 -0.002 0.000 0.212 326 L C 2.421 179.270 176.870 -0.034 0.000 1.105 326 L CA 1.297 56.128 54.840 -0.015 0.000 0.775 326 L CB -0.347 41.697 42.059 -0.025 0.000 0.913 326 L HN 0.376 nan 8.230 nan 0.000 0.440 327 E N -0.190 119.941 120.200 -0.116 0.000 2.418 327 E HA -0.071 4.278 4.350 -0.002 0.000 0.197 327 E C 1.315 177.869 176.600 -0.076 0.000 1.026 327 E CA 0.615 56.899 56.400 -0.194 0.000 0.862 327 E CB 0.073 29.447 29.700 -0.545 0.000 0.799 327 E HN 0.483 nan 8.360 nan 0.000 0.518 328 G N 0.997 109.809 108.800 0.020 0.000 2.143 328 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.248 328 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.248 328 G C -0.493 174.600 174.900 0.322 0.000 0.991 328 G CA 0.141 45.354 45.100 0.188 0.000 0.689 328 G HN 0.283 nan 8.290 nan 0.000 0.522 329 H N -0.188 118.962 119.070 0.133 0.000 3.017 329 H HA 0.312 4.866 4.556 -0.002 0.000 0.276 329 H C 1.659 177.064 175.328 0.129 0.000 1.062 329 H CA -0.414 55.718 56.048 0.140 0.000 1.486 329 H CB 0.697 30.534 29.762 0.125 0.000 1.507 329 H HN 0.249 nan 8.280 nan 0.000 0.508 330 I N 2.203 122.908 120.570 0.225 0.000 2.454 330 I HA -0.263 3.905 4.170 -0.002 0.000 0.254 330 I C 1.005 177.068 176.117 -0.090 0.000 1.156 330 I CA 1.147 62.469 61.300 0.038 0.000 1.433 330 I CB 0.004 37.901 38.000 -0.171 0.000 1.082 330 I HN 0.367 nan 8.210 nan 0.000 0.432 331 F N -0.543 119.461 119.950 0.091 0.000 2.615 331 F HA -0.033 4.493 4.527 -0.002 0.000 0.297 331 F C 2.567 178.423 175.800 0.094 0.000 1.124 331 F CA 0.544 58.606 58.000 0.105 0.000 1.451 331 F CB -0.052 38.993 39.000 0.075 0.000 1.103 331 F HN -0.044 nan 8.300 nan 0.000 0.569 332 S N -0.616 115.223 115.700 0.232 0.000 2.406 332 S HA -0.062 4.406 4.470 -0.002 0.000 0.224 332 S C 2.244 176.869 174.600 0.040 0.000 1.030 332 S CA 0.571 58.861 58.200 0.149 0.000 0.958 332 S CB -0.193 63.105 63.200 0.163 0.000 0.811 332 S HN 0.062 nan 8.310 nan 0.000 0.489 333 V N 2.772 122.670 119.914 -0.026 0.000 2.287 333 V HA -0.202 3.917 4.120 -0.002 0.000 0.248 333 V C 2.081 178.063 176.094 -0.187 0.000 1.053 333 V CA 1.709 63.881 62.300 -0.212 0.000 1.027 333 V CB -0.669 30.900 31.823 -0.423 0.000 0.646 333 V HN 0.490 nan 8.190 nan 0.000 0.447 334 I N 0.025 120.526 120.570 -0.115 0.000 2.264 334 I HA -0.256 3.913 4.170 -0.002 0.000 0.248 334 I C 2.289 178.403 176.117 -0.005 0.000 1.111 334 I CA 1.669 62.923 61.300 -0.076 0.000 1.382 334 I CB -0.663 37.299 38.000 -0.063 0.000 1.060 334 I HN 0.338 nan 8.210 nan 0.000 0.418 335 D N 1.275 121.704 120.400 0.048 0.000 2.097 335 D HA -0.142 4.497 4.640 -0.002 0.000 0.195 335 D C 2.292 178.607 176.300 0.024 0.000 0.989 335 D CA 1.710 55.749 54.000 0.065 0.000 0.827 335 D CB -0.169 40.682 40.800 0.085 0.000 0.966 335 D HN 0.328 nan 8.370 nan 0.000 0.456 336 A N 0.361 123.178 122.820 -0.005 0.000 1.933 336 A HA -0.165 4.154 4.320 -0.002 0.000 0.218 336 A C 2.269 179.841 177.584 -0.020 0.000 1.175 336 A CA 1.355 53.381 52.037 -0.019 0.000 0.628 336 A CB -0.538 18.436 19.000 -0.043 0.000 0.814 336 A HN 0.178 nan 8.150 nan 0.000 0.444 337 M N -0.959 118.617 119.600 -0.040 0.000 2.175 337 M HA -0.163 4.315 4.480 -0.002 0.000 0.264 337 M C 1.911 178.217 176.300 0.010 0.000 1.063 337 M CA 1.771 57.060 55.300 -0.018 0.000 1.119 337 M CB -0.428 32.150 32.600 -0.037 0.000 1.377 337 M HN 0.540 nan 8.290 nan 0.000 0.415 338 N N -0.575 118.132 118.700 0.012 0.000 2.216 338 N HA -0.103 4.635 4.740 -0.002 0.000 0.183 338 N C 1.546 177.076 175.510 0.033 0.000 1.017 338 N CA 0.768 53.834 53.050 0.028 0.000 0.861 338 N CB 0.155 38.666 38.487 0.040 0.000 0.986 338 N HN 0.043 nan 8.380 nan 0.000 0.428 339 V N 0.961 120.892 119.914 0.029 0.000 2.261 339 V HA -0.189 3.930 4.120 -0.002 0.000 0.246 339 V C 2.159 178.271 176.094 0.030 0.000 1.047 339 V CA 1.233 63.551 62.300 0.029 0.000 1.015 339 V CB -0.512 31.325 31.823 0.022 0.000 0.642 339 V HN 0.313 nan 8.190 nan 0.000 0.446 340 L N -0.446 120.793 121.223 0.026 0.000 2.042 340 L HA -0.208 4.130 4.340 -0.002 0.000 0.210 340 L C 2.303 179.204 176.870 0.052 0.000 1.076 340 L CA 2.340 57.201 54.840 0.035 0.000 0.749 340 L CB -0.564 41.512 42.059 0.029 0.000 0.893 340 L HN 0.344 nan 8.230 nan 0.000 0.432 341 M N -1.347 118.284 119.600 0.052 0.000 2.254 341 M HA -0.165 4.313 4.480 -0.002 0.000 0.265 341 M C 1.592 177.926 176.300 0.057 0.000 1.066 341 M CA 1.676 57.013 55.300 0.061 0.000 1.123 341 M CB -0.204 32.429 32.600 0.056 0.000 1.388 341 M HN 0.232 nan 8.290 nan 0.000 0.425 342 D N 0.362 120.791 120.400 0.049 0.000 2.097 342 D HA -0.166 4.473 4.640 -0.002 0.000 0.197 342 D C 1.990 178.318 176.300 0.046 0.000 0.984 342 D CA 1.157 55.184 54.000 0.046 0.000 0.826 342 D CB -0.368 40.457 40.800 0.041 0.000 0.973 342 D HN 0.362 nan 8.370 nan 0.000 0.460 343 E N -0.116 120.111 120.200 0.045 0.000 2.085 343 E HA -0.128 4.221 4.350 -0.002 0.000 0.194 343 E C 2.184 178.817 176.600 0.054 0.000 0.994 343 E CA 1.719 58.146 56.400 0.045 0.000 0.801 343 E CB -0.289 29.437 29.700 0.043 0.000 0.743 343 E HN 0.485 nan 8.360 nan 0.000 0.453 344 T N -4.397 110.196 114.554 0.066 0.000 2.990 344 T HA 0.291 4.639 4.350 -0.002 0.000 0.249 344 T C 1.502 176.250 174.700 0.080 0.000 1.039 344 T CA 0.895 63.042 62.100 0.078 0.000 1.036 344 T CB 0.601 69.530 68.868 0.101 0.000 0.994 344 T HN 0.230 nan 8.240 nan 0.000 0.489 345 G N 1.563 110.410 108.800 0.078 0.000 2.148 345 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.254 345 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.254 345 G C 0.057 175.019 174.900 0.103 0.000 0.981 345 G CA 0.210 45.358 45.100 0.081 0.000 0.670 345 G HN 0.825 nan 8.290 nan 0.000 0.528 346 I N 0.435 121.075 120.570 0.116 0.000 2.752 346 I HA 0.252 4.420 4.170 -0.002 0.000 0.287 346 I C 1.597 177.807 176.117 0.154 0.000 1.188 346 I CA 0.321 61.709 61.300 0.147 0.000 1.427 346 I CB 0.548 38.643 38.000 0.158 0.000 1.365 346 I HN 0.288 nan 8.210 nan 0.000 0.585 347 E N 5.447 125.765 120.200 0.197 0.000 2.204 347 E HA -0.077 4.272 4.350 -0.002 0.000 0.194 347 E C 0.356 177.095 176.600 0.232 0.000 0.989 347 E CA 0.668 57.214 56.400 0.243 0.000 0.824 347 E CB 0.277 30.175 29.700 0.330 0.000 0.756 347 E HN 0.471 nan 8.360 nan 0.000 0.477 348 R N 0.104 120.741 120.500 0.229 0.000 2.604 348 R HA 0.393 4.731 4.340 -0.002 0.000 0.270 348 R C -1.876 174.542 176.300 0.197 0.000 1.052 348 R CA -0.421 55.799 56.100 0.200 0.000 0.902 348 R CB 1.093 31.589 30.300 0.327 0.000 1.233 348 R HN -0.086 nan 8.270 nan 0.000 0.455 349 I N 3.583 124.258 120.570 0.175 0.000 2.478 349 I HA 0.269 4.437 4.170 -0.002 0.000 0.287 349 I C -0.785 175.497 176.117 0.275 0.000 1.042 349 I CA -0.706 60.712 61.300 0.195 0.000 1.067 349 I CB 2.017 40.104 38.000 0.145 0.000 1.233 349 I HN 0.603 nan 8.210 nan 0.000 0.431 350 H N 7.020 126.204 119.070 0.189 0.000 2.595 350 H HA 0.373 4.928 4.556 -0.002 0.000 0.313 350 H C -1.724 173.718 175.328 0.191 0.000 1.023 350 H CA -0.706 55.456 56.048 0.190 0.000 1.218 350 H CB 1.297 31.164 29.762 0.174 0.000 1.403 350 H HN 0.539 nan 8.280 nan 0.000 0.477 351 F N 7.987 128.061 119.950 0.206 0.000 2.420 351 F HA 0.273 4.799 4.527 -0.002 0.000 0.342 351 F C -0.853 174.927 175.800 -0.033 0.000 1.113 351 F CA -0.501 57.487 58.000 -0.018 0.000 1.059 351 F CB 0.613 39.638 39.000 0.041 0.000 1.128 351 F HN 0.605 nan 8.300 nan 0.000 0.475 352 H N 2.960 121.454 119.070 -0.959 0.000 2.637 352 H HA 0.647 5.202 4.556 -0.002 0.000 0.363 352 H C -1.439 173.355 175.328 -0.889 0.000 1.131 352 H CA -0.818 54.812 56.048 -0.697 0.000 1.183 352 H CB 1.909 31.250 29.762 -0.702 0.000 1.637 352 H HN 0.709 nan 8.280 nan 0.000 0.531 353 T N 0.999 115.290 114.554 -0.438 0.000 2.645 353 T HA 0.217 4.566 4.350 -0.002 0.000 0.300 353 T C -1.706 172.922 174.700 -0.119 0.000 1.210 353 T CA -0.748 61.135 62.100 -0.362 0.000 1.034 353 T CB 1.096 69.704 68.868 -0.433 0.000 1.537 353 T HN 0.582 nan 8.240 nan 0.000 0.492 354 Y N 0.889 121.087 120.300 -0.170 0.000 2.436 354 Y HA 0.468 5.016 4.550 -0.002 0.000 0.343 354 Y C 1.049 176.885 175.900 -0.107 0.000 1.008 354 Y CA 1.105 59.146 58.100 -0.099 0.000 1.241 354 Y CB 0.030 38.462 38.460 -0.046 0.000 1.153 354 Y HN 0.966 nan 8.280 nan 0.000 0.521 355 G N 4.118 112.622 108.800 -0.493 0.000 2.284 355 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.216 355 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.216 355 G C -0.607 174.172 174.900 -0.201 0.000 1.009 355 G CA 0.093 44.941 45.100 -0.421 0.000 0.625 355 G HN 1.350 nan 8.290 nan 0.000 0.501 356 Y N -1.530 118.602 120.300 -0.281 0.000 2.662 356 Y HA 0.715 5.263 4.550 -0.002 0.000 0.334 356 Y C -1.096 174.730 175.900 -0.123 0.000 1.185 356 Y CA -2.600 55.262 58.100 -0.397 0.000 1.074 356 Y CB 0.479 38.721 38.460 -0.363 0.000 1.330 356 Y HN 0.245 nan 8.280 nan 0.000 0.458 357 Y N 1.870 122.172 120.300 0.002 0.000 2.524 357 Y HA 0.823 5.372 4.550 -0.002 0.000 0.344 357 Y C -0.676 175.390 175.900 0.276 0.000 1.012 357 Y CA -1.450 56.740 58.100 0.151 0.000 1.068 357 Y CB 2.470 41.061 38.460 0.219 0.000 1.249 357 Y HN 0.517 nan 8.280 nan 0.000 0.468 358 L N 1.861 123.451 121.223 0.611 0.000 2.388 358 L HA 0.868 5.206 4.340 -0.002 0.000 0.264 358 L C -1.007 176.092 176.870 0.381 0.000 0.998 358 L CA -0.985 54.120 54.840 0.442 0.000 0.817 358 L CB 2.327 44.641 42.059 0.425 0.000 1.338 358 L HN 0.738 nan 8.230 nan 0.000 0.414 359 A N 2.876 125.825 122.820 0.215 0.000 2.385 359 A HA 0.696 5.014 4.320 -0.002 0.000 0.290 359 A C -1.661 175.968 177.584 0.075 0.000 1.094 359 A CA -0.373 51.755 52.037 0.151 0.000 0.729 359 A CB 1.478 20.510 19.000 0.053 0.000 1.194 359 A HN 0.480 nan 8.150 nan 0.000 0.442 360 L N 3.349 124.613 121.223 0.068 0.000 2.272 360 L HA 0.784 5.123 4.340 -0.002 0.000 0.289 360 L C 0.317 177.166 176.870 -0.035 0.000 1.032 360 L CA 0.543 55.388 54.840 0.008 0.000 0.810 360 L CB 1.371 43.441 42.059 0.019 0.000 1.205 360 L HN 0.835 nan 8.230 nan 0.000 0.422 361 T N 0.493 114.968 114.554 -0.132 0.000 2.906 361 T HA 0.402 4.751 4.350 -0.002 0.000 0.295 361 T C 0.366 174.911 174.700 -0.258 0.000 1.061 361 T CA -0.736 61.172 62.100 -0.321 0.000 1.000 361 T CB 1.582 69.974 68.868 -0.793 0.000 1.103 361 T HN 0.605 nan 8.240 nan 0.000 0.486 362 Q N 0.052 119.734 119.800 -0.197 0.000 2.212 362 Q HA 0.083 4.421 4.340 -0.002 0.000 0.199 362 Q C 0.136 176.149 176.000 0.021 0.000 0.950 362 Q CA 0.820 56.616 55.803 -0.012 0.000 0.863 362 Q CB -0.120 28.686 28.738 0.113 0.000 0.944 362 Q HN 0.857 nan 8.270 nan 0.000 0.465 363 Y N 0.294 120.641 120.300 0.078 0.000 2.334 363 Y HA 0.524 5.073 4.550 -0.002 0.000 0.325 363 Y C 0.276 176.217 175.900 0.068 0.000 1.308 363 Y CA -1.344 56.795 58.100 0.065 0.000 1.389 363 Y CB 0.557 39.058 38.460 0.067 0.000 1.328 363 Y HN -0.231 nan 8.280 nan 0.000 0.532 364 R N 0.490 121.112 120.500 0.203 0.000 2.902 364 R HA 0.867 5.206 4.340 -0.002 0.000 0.258 364 R C -0.808 175.603 176.300 0.186 0.000 1.071 364 R CA -0.934 55.245 56.100 0.132 0.000 1.024 364 R CB 1.803 32.133 30.300 0.050 0.000 1.184 364 R HN 1.164 nan 8.270 nan 0.000 0.492 365 G N 0.462 109.378 108.800 0.192 0.000 2.317 365 G HA2 -0.079 3.880 3.960 -0.002 0.000 0.445 365 G HA3 -0.079 3.880 3.960 -0.002 0.000 0.445 365 G C -0.388 174.627 174.900 0.192 0.000 1.486 365 G CA -0.806 44.404 45.100 0.183 0.000 0.991 365 G HN 0.607 nan 8.290 nan 0.000 0.660 366 E N -0.272 120.021 120.200 0.155 0.000 2.274 366 E HA 0.007 4.356 4.350 -0.002 0.000 0.194 366 E C 2.055 178.700 176.600 0.076 0.000 0.996 366 E CA 1.413 57.878 56.400 0.108 0.000 0.840 366 E CB 0.116 29.863 29.700 0.078 0.000 0.772 366 E HN 0.625 nan 8.360 nan 0.000 0.491 367 E N -0.243 120.001 120.200 0.074 0.000 2.171 367 E HA -0.196 4.153 4.350 -0.002 0.000 0.197 367 E C 1.904 178.548 176.600 0.073 0.000 0.997 367 E CA 1.191 57.621 56.400 0.050 0.000 0.810 367 E CB -0.109 29.614 29.700 0.037 0.000 0.738 367 E HN 0.114 nan 8.360 nan 0.000 0.467 368 V N 0.665 120.645 119.914 0.111 0.000 2.427 368 V HA -0.223 3.896 4.120 -0.002 0.000 0.248 368 V C 2.359 178.490 176.094 0.063 0.000 1.051 368 V CA 1.859 64.218 62.300 0.099 0.000 1.048 368 V CB -0.479 31.399 31.823 0.092 0.000 0.666 368 V HN 0.204 nan 8.190 nan 0.000 0.456 369 R N 0.249 120.789 120.500 0.066 0.000 2.062 369 R HA -0.146 4.192 4.340 -0.002 0.000 0.229 369 R C 2.067 178.402 176.300 0.058 0.000 1.128 369 R CA 1.884 58.024 56.100 0.067 0.000 0.960 369 R CB -0.319 30.021 30.300 0.066 0.000 0.855 369 R HN 0.481 nan 8.270 nan 0.000 0.432 370 D N 0.524 120.952 120.400 0.047 0.000 2.144 370 D HA -0.128 4.510 4.640 -0.002 0.000 0.199 370 D C 1.673 178.022 176.300 0.082 0.000 0.984 370 D CA 1.407 55.434 54.000 0.046 0.000 0.834 370 D CB -0.228 40.585 40.800 0.021 0.000 0.955 370 D HN 0.352 nan 8.370 nan 0.000 0.465 371 A N 0.619 123.480 122.820 0.068 0.000 1.902 371 A HA -0.101 4.218 4.320 -0.002 0.000 0.217 371 A C 2.320 179.989 177.584 0.141 0.000 1.181 371 A CA 0.836 52.931 52.037 0.097 0.000 0.623 371 A CB -0.718 18.316 19.000 0.056 0.000 0.818 371 A HN 0.206 nan 8.150 nan 0.000 0.443 372 L N -0.801 120.471 121.223 0.082 0.000 2.093 372 L HA -0.148 4.191 4.340 -0.002 0.000 0.208 372 L C 2.512 179.505 176.870 0.205 0.000 1.085 372 L CA 0.909 55.829 54.840 0.133 0.000 0.755 372 L CB -0.558 41.566 42.059 0.108 0.000 0.904 372 L HN 0.367 nan 8.230 nan 0.000 0.435 373 L N -1.369 119.906 121.223 0.085 0.000 2.093 373 L HA -0.213 4.126 4.340 -0.002 0.000 0.208 373 L C 2.519 179.506 176.870 0.196 0.000 1.085 373 L CA 1.028 55.841 54.840 -0.044 0.000 0.755 373 L CB -0.410 41.505 42.059 -0.240 0.000 0.904 373 L HN 0.164 nan 8.230 nan 0.000 0.435 374 F N 0.811 120.825 119.950 0.107 0.000 2.146 374 F HA -0.159 4.367 4.527 -0.002 0.000 0.298 374 F C 2.416 178.331 175.800 0.193 0.000 1.096 374 F CA 1.127 59.224 58.000 0.162 0.000 1.275 374 F CB -0.294 38.740 39.000 0.057 0.000 1.008 374 F HN -0.015 nan 8.300 nan 0.000 0.480 375 A N -0.827 122.109 122.820 0.193 0.000 1.933 375 A HA -0.205 4.114 4.320 -0.002 0.000 0.218 375 A C 2.371 180.064 177.584 0.181 0.000 1.175 375 A CA 1.919 54.029 52.037 0.122 0.000 0.628 375 A CB -1.398 17.708 19.000 0.176 0.000 0.814 375 A HN 0.476 nan 8.150 nan 0.000 0.444 376 S N -0.620 115.278 115.700 0.331 0.000 2.383 376 S HA -0.052 4.416 4.470 -0.002 0.000 0.227 376 S C 1.938 176.618 174.600 0.133 0.000 1.026 376 S CA 1.243 59.610 58.200 0.278 0.000 0.981 376 S CB -0.439 62.858 63.200 0.162 0.000 0.818 376 S HN 0.498 nan 8.310 nan 0.000 0.472 377 L N 0.927 122.226 121.223 0.127 0.000 2.056 377 L HA 0.002 4.340 4.340 -0.002 0.000 0.207 377 L C 3.058 179.885 176.870 -0.072 0.000 1.078 377 L CA 1.178 56.034 54.840 0.026 0.000 0.749 377 L CB -0.774 41.334 42.059 0.082 0.000 0.901 377 L HN 0.459 nan 8.230 nan 0.000 0.433 378 A N 0.012 122.730 122.820 -0.170 0.000 1.902 378 A HA -0.174 4.144 4.320 -0.002 0.000 0.217 378 A C 2.488 180.035 177.584 -0.062 0.000 1.181 378 A CA 1.722 53.667 52.037 -0.153 0.000 0.623 378 A CB -0.610 18.262 19.000 -0.214 0.000 0.818 378 A HN 0.415 nan 8.150 nan 0.000 0.443 379 A N -0.297 122.507 122.820 -0.027 0.000 1.930 379 A HA 0.223 4.542 4.320 -0.002 0.000 0.217 379 A C 2.468 180.037 177.584 -0.026 0.000 1.175 379 A CA 1.899 53.927 52.037 -0.016 0.000 0.627 379 A CB -0.872 18.151 19.000 0.037 0.000 0.815 379 A HN 0.971 nan 8.150 nan 0.000 0.443 380 A N -0.039 122.763 122.820 -0.030 0.000 1.873 380 A HA 0.218 4.537 4.320 -0.002 0.000 0.215 380 A C 2.524 180.076 177.584 -0.053 0.000 1.186 380 A CA 1.940 53.948 52.037 -0.050 0.000 0.616 380 A CB -1.098 17.857 19.000 -0.075 0.000 0.823 380 A HN 1.012 nan 8.150 nan 0.000 0.442 381 A N 0.245 123.032 122.820 -0.054 0.000 1.873 381 A HA -0.241 4.077 4.320 -0.002 0.000 0.218 381 A C 2.100 179.658 177.584 -0.043 0.000 1.193 381 A CA 2.556 54.565 52.037 -0.047 0.000 0.629 381 A CB -0.574 18.405 19.000 -0.035 0.000 0.826 381 A HN 0.543 nan 8.150 nan 0.000 0.447 382 K N -0.096 120.278 120.400 -0.045 0.000 2.009 382 K HA -0.088 4.230 4.320 -0.002 0.000 0.210 382 K C 2.010 178.581 176.600 -0.048 0.000 1.049 382 K CA 1.888 58.145 56.287 -0.050 0.000 0.929 382 K CB -0.527 31.938 32.500 -0.059 0.000 0.714 382 K HN 0.339 nan 8.250 nan 0.000 0.440 383 A N 0.388 123.181 122.820 -0.045 0.000 1.972 383 A HA -0.131 4.187 4.320 -0.002 0.000 0.219 383 A C 2.174 179.735 177.584 -0.038 0.000 1.169 383 A CA 1.754 53.767 52.037 -0.040 0.000 0.635 383 A CB -0.485 18.496 19.000 -0.032 0.000 0.810 383 A HN 0.435 nan 8.150 nan 0.000 0.446 384 M N -0.267 119.308 119.600 -0.040 0.000 2.074 384 M HA -0.137 4.342 4.480 -0.002 0.000 0.259 384 M C 2.057 178.334 176.300 -0.038 0.000 1.079 384 M CA 1.883 57.159 55.300 -0.040 0.000 1.119 384 M CB -0.268 32.305 32.600 -0.045 0.000 1.297 384 M HN 0.300 nan 8.290 nan 0.000 0.416 385 K N -0.568 119.809 120.400 -0.038 0.000 2.296 385 K HA 0.104 4.423 4.320 -0.002 0.000 0.200 385 K C 1.511 178.089 176.600 -0.038 0.000 1.048 385 K CA 1.087 57.352 56.287 -0.036 0.000 0.966 385 K CB -0.125 32.356 32.500 -0.033 0.000 0.754 385 K HN 0.650 nan 8.250 nan 0.000 0.466 386 G N 1.580 110.355 108.800 -0.041 0.000 2.396 386 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.242 386 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.242 386 G C 0.103 174.973 174.900 -0.050 0.000 1.069 386 G CA 0.464 45.539 45.100 -0.042 0.000 0.633 386 G HN 0.412 nan 8.290 nan 0.000 0.517 387 N N -0.278 118.393 118.700 -0.048 0.000 2.500 387 N HA 0.645 5.383 4.740 -0.002 0.000 0.291 387 N C -0.527 174.953 175.510 -0.050 0.000 1.092 387 N CA -0.506 52.510 53.050 -0.056 0.000 0.890 387 N CB 1.429 39.883 38.487 -0.053 0.000 1.466 387 N HN 0.316 nan 8.380 nan 0.000 0.507 388 L N 1.855 123.043 121.223 -0.058 0.000 2.399 388 L HA 0.452 4.791 4.340 -0.002 0.000 0.266 388 L C 0.952 177.794 176.870 -0.047 0.000 1.114 388 L CA 0.119 54.932 54.840 -0.046 0.000 0.804 388 L CB 1.201 43.228 42.059 -0.054 0.000 1.146 388 L HN 0.702 nan 8.230 nan 0.000 0.451 389 E N 0.396 120.582 120.200 -0.024 0.000 2.614 389 E HA 0.189 4.538 4.350 -0.002 0.000 0.201 389 E C -0.589 176.013 176.600 0.003 0.000 0.889 389 E CA -0.217 56.170 56.400 -0.022 0.000 1.564 389 E CB 0.924 30.612 29.700 -0.019 0.000 1.623 389 E HN 0.462 nan 8.360 nan 0.000 0.898 390 R N 0.460 120.978 120.500 0.031 0.000 2.744 390 R HA 0.446 4.785 4.340 -0.002 0.000 0.279 390 R C 0.381 176.753 176.300 0.119 0.000 0.977 390 R CA -0.469 55.670 56.100 0.065 0.000 0.906 390 R CB 1.746 32.081 30.300 0.057 0.000 1.197 390 R HN -0.060 nan 8.270 nan 0.000 0.463 391 I N 1.655 122.329 120.570 0.172 0.000 2.850 391 I HA -0.213 3.955 4.170 -0.002 0.000 0.266 391 I C 1.238 177.533 176.117 0.296 0.000 1.257 391 I CA 1.490 62.953 61.300 0.272 0.000 1.465 391 I CB 0.146 38.311 38.000 0.275 0.000 1.091 391 I HN 0.668 nan 8.210 nan 0.000 0.467 392 E N -0.009 120.316 120.200 0.209 0.000 2.076 392 E HA -0.220 4.129 4.350 -0.002 0.000 0.190 392 E C 1.987 178.670 176.600 0.139 0.000 0.979 392 E CA 0.813 57.334 56.400 0.202 0.000 0.807 392 E CB -0.103 29.673 29.700 0.126 0.000 0.761 392 E HN 0.589 nan 8.360 nan 0.000 0.454 393 Q N 0.590 120.448 119.800 0.096 0.000 2.242 393 Q HA -0.220 4.118 4.340 -0.002 0.000 0.211 393 Q C 2.238 178.255 176.000 0.029 0.000 0.992 393 Q CA 1.239 57.069 55.803 0.045 0.000 0.889 393 Q CB -0.441 28.316 28.738 0.032 0.000 0.913 393 Q HN 0.430 nan 8.270 nan 0.000 0.422 394 I N 0.362 120.989 120.570 0.095 0.000 2.567 394 I HA -0.238 3.931 4.170 -0.002 0.000 0.257 394 I C 2.541 178.578 176.117 -0.133 0.000 1.184 394 I CA 0.869 62.211 61.300 0.069 0.000 1.451 394 I CB -0.303 37.859 38.000 0.271 0.000 1.089 394 I HN 0.150 nan 8.210 nan 0.000 0.441 395 R N 1.147 121.525 120.500 -0.202 0.000 2.115 395 R HA -0.166 4.173 4.340 -0.002 0.000 0.230 395 R C 1.647 177.780 176.300 -0.278 0.000 1.111 395 R CA 1.454 57.264 56.100 -0.483 0.000 0.976 395 R CB -0.036 30.112 30.300 -0.252 0.000 0.870 395 R HN 0.262 nan 8.270 nan 0.000 0.445 396 D N 0.310 120.620 120.400 -0.150 0.000 2.178 396 D HA -0.120 4.519 4.640 -0.002 0.000 0.201 396 D C 1.559 177.783 176.300 -0.128 0.000 0.980 396 D CA 1.344 55.277 54.000 -0.112 0.000 0.842 396 D CB -0.178 40.581 40.800 -0.069 0.000 0.948 396 D HN 0.368 nan 8.370 nan 0.000 0.472 397 A N 0.374 123.108 122.820 -0.143 0.000 2.125 397 A HA -0.090 4.229 4.320 -0.002 0.000 0.219 397 A C 2.189 179.660 177.584 -0.189 0.000 1.156 397 A CA 0.544 52.493 52.037 -0.145 0.000 0.671 397 A CB -0.672 18.253 19.000 -0.125 0.000 0.794 397 A HN 0.239 nan 8.150 nan 0.000 0.459 398 L N 0.288 121.385 121.223 -0.210 0.000 2.265 398 L HA -0.158 4.181 4.340 -0.002 0.000 0.215 398 L C 2.741 179.504 176.870 -0.178 0.000 1.117 398 L CA 1.400 56.112 54.840 -0.213 0.000 0.782 398 L CB -0.247 41.696 42.059 -0.192 0.000 0.914 398 L HN 0.626 nan 8.230 nan 0.000 0.441 399 S N -1.492 114.122 115.700 -0.143 0.000 2.562 399 S HA 0.034 4.503 4.470 -0.002 0.000 0.221 399 S C 0.746 175.276 174.600 -0.116 0.000 0.975 399 S CA -0.351 57.783 58.200 -0.110 0.000 0.918 399 S CB -0.299 62.851 63.200 -0.084 0.000 0.772 399 S HN 0.045 nan 8.310 nan 0.000 0.531 400 V N 4.271 124.098 119.914 -0.146 0.000 2.508 400 V HA 0.308 4.427 4.120 -0.002 0.000 0.281 400 V C -2.286 173.706 176.094 -0.169 0.000 1.041 400 V CA -1.857 60.358 62.300 -0.141 0.000 1.016 400 V CB 0.427 32.163 31.823 -0.145 0.000 0.984 400 V HN 0.279 nan 8.190 nan 0.000 0.478 401 P HA 0.110 nan 4.420 nan 0.000 0.264 401 P C 0.059 177.268 177.300 -0.152 0.000 1.193 401 P CA 0.105 63.134 63.100 -0.118 0.000 0.763 401 P CB 0.163 31.819 31.700 -0.074 0.000 0.810 402 T N 2.881 117.338 114.554 -0.162 0.000 2.919 402 T HA 0.020 4.369 4.350 -0.002 0.000 0.302 402 T C 0.737 175.355 174.700 -0.138 0.000 1.031 402 T CA -0.251 61.741 62.100 -0.180 0.000 1.127 402 T CB -0.139 68.647 68.868 -0.136 0.000 0.952 402 T HN 0.386 nan 8.240 nan 0.000 0.540 403 N N 2.672 121.269 118.700 -0.172 0.000 2.394 403 N HA -0.090 4.649 4.740 -0.002 0.000 0.282 403 N C 1.187 176.634 175.510 -0.104 0.000 1.351 403 N CA 0.318 53.273 53.050 -0.158 0.000 0.936 403 N CB 0.365 38.716 38.487 -0.226 0.000 1.274 403 N HN 0.729 nan 8.380 nan 0.000 0.489 404 E N 3.380 123.545 120.200 -0.059 0.000 2.118 404 E HA -0.240 4.109 4.350 -0.002 0.000 0.195 404 E C 1.740 178.340 176.600 0.000 0.000 0.992 404 E CA 0.883 57.272 56.400 -0.018 0.000 0.804 404 E CB 0.156 29.856 29.700 -0.001 0.000 0.741 404 E HN 0.641 nan 8.360 nan 0.000 0.458 405 R N 0.015 120.514 120.500 -0.003 0.000 2.115 405 R HA -0.078 4.261 4.340 -0.002 0.000 0.230 405 R C 2.078 178.401 176.300 0.039 0.000 1.111 405 R CA 1.190 57.304 56.100 0.024 0.000 0.976 405 R CB -0.183 30.139 30.300 0.036 0.000 0.870 405 R HN 0.131 nan 8.270 nan 0.000 0.445 406 A N 0.787 123.624 122.820 0.028 0.000 2.015 406 A HA -0.062 4.257 4.320 -0.002 0.000 0.219 406 A C 2.053 179.730 177.584 0.155 0.000 1.163 406 A CA 1.027 53.127 52.037 0.104 0.000 0.646 406 A CB -0.345 18.665 19.000 0.017 0.000 0.806 406 A HN 0.370 nan 8.150 nan 0.000 0.448 407 I N -0.735 119.867 120.570 0.054 0.000 2.202 407 I HA -0.179 3.990 4.170 -0.002 0.000 0.242 407 I C 2.282 178.453 176.117 0.090 0.000 1.091 407 I CA 0.925 62.279 61.300 0.090 0.000 1.368 407 I CB -0.218 37.834 38.000 0.086 0.000 1.058 407 I HN 0.136 nan 8.210 nan 0.000 0.410 408 V N 0.604 120.553 119.914 0.058 0.000 2.490 408 V HA -0.262 3.857 4.120 -0.002 0.000 0.250 408 V C 2.340 178.440 176.094 0.010 0.000 1.061 408 V CA 1.347 63.670 62.300 0.039 0.000 1.064 408 V CB -0.416 31.428 31.823 0.035 0.000 0.670 408 V HN 0.317 nan 8.190 nan 0.000 0.461 409 L N -0.132 121.088 121.223 -0.005 0.000 2.201 409 L HA -0.122 4.217 4.340 -0.002 0.000 0.212 409 L C 2.362 179.094 176.870 -0.229 0.000 1.105 409 L CA 1.704 56.498 54.840 -0.076 0.000 0.775 409 L CB -0.791 41.226 42.059 -0.071 0.000 0.913 409 L HN 0.406 nan 8.230 nan 0.000 0.440 410 E N -0.442 119.592 120.200 -0.277 0.000 2.110 410 E HA -0.239 4.110 4.350 -0.002 0.000 0.193 410 E C 1.832 178.328 176.600 -0.175 0.000 0.988 410 E CA 1.082 57.224 56.400 -0.430 0.000 0.804 410 E CB 0.116 29.699 29.700 -0.195 0.000 0.745 410 E HN 0.588 nan 8.360 nan 0.000 0.458 411 E N 0.356 120.519 120.200 -0.062 0.000 2.130 411 E HA -0.235 4.114 4.350 -0.002 0.000 0.196 411 E C 1.885 178.485 176.600 0.000 0.000 0.998 411 E CA 1.423 57.814 56.400 -0.014 0.000 0.806 411 E CB -0.089 29.615 29.700 0.006 0.000 0.738 411 E HN 0.423 nan 8.360 nan 0.000 0.459 412 E N 0.646 120.855 120.200 0.015 0.000 2.158 412 E HA -0.088 4.261 4.350 -0.002 0.000 0.191 412 E C 2.206 178.937 176.600 0.219 0.000 0.982 412 E CA 0.481 56.947 56.400 0.110 0.000 0.823 412 E CB -0.029 29.788 29.700 0.196 0.000 0.766 412 E HN 0.268 nan 8.360 nan 0.000 0.468 413 L N 0.953 122.232 121.223 0.093 0.000 2.093 413 L HA -0.152 4.187 4.340 -0.002 0.000 0.208 413 L C 2.347 179.331 176.870 0.189 0.000 1.085 413 L CA 1.162 56.105 54.840 0.172 0.000 0.755 413 L CB -0.341 41.637 42.059 -0.134 0.000 0.904 413 L HN 0.111 nan 8.230 nan 0.000 0.435 414 E N 0.378 120.615 120.200 0.061 0.000 2.085 414 E HA -0.248 4.100 4.350 -0.002 0.000 0.194 414 E C 2.143 178.771 176.600 0.046 0.000 0.994 414 E CA 1.322 57.752 56.400 0.051 0.000 0.801 414 E CB 0.033 29.742 29.700 0.015 0.000 0.743 414 E HN 0.249 nan 8.360 nan 0.000 0.453 415 K N 0.767 121.181 120.400 0.024 0.000 2.365 415 K HA -0.082 4.237 4.320 -0.002 0.000 0.197 415 K C 1.340 177.900 176.600 -0.068 0.000 1.042 415 K CA 1.076 57.352 56.287 -0.018 0.000 0.987 415 K CB 0.366 32.847 32.500 -0.032 0.000 0.779 415 K HN 0.038 nan 8.250 nan 0.000 0.484 416 E N -0.233 119.916 120.200 -0.084 0.000 2.127 416 E HA 0.146 4.494 4.350 -0.002 0.000 0.191 416 E C 0.197 176.516 176.600 -0.469 0.000 0.964 416 E CA 0.514 56.718 56.400 -0.327 0.000 0.832 416 E CB 0.106 29.577 29.700 -0.381 0.000 0.790 416 E HN 0.174 nan 8.360 nan 0.000 0.465 417 F N 0.085 120.088 119.950 0.088 0.000 2.611 417 F HA 0.258 4.783 4.527 -0.002 0.000 0.374 417 F C 0.646 176.479 175.800 0.056 0.000 1.110 417 F CA -0.927 57.115 58.000 0.071 0.000 1.090 417 F CB 0.728 39.770 39.000 0.069 0.000 1.388 417 F HN -0.409 nan 8.300 nan 0.000 0.501 418 T N -0.139 114.599 114.554 0.308 0.000 3.477 418 T HA 0.172 4.521 4.350 -0.002 0.000 0.347 418 T C -0.331 174.494 174.700 0.208 0.000 1.567 418 T CA -0.542 61.681 62.100 0.205 0.000 1.169 418 T CB -0.586 68.391 68.868 0.182 0.000 1.196 418 T HN 0.366 nan 8.240 nan 0.000 0.768 419 E N 1.935 122.222 120.200 0.145 0.000 2.351 419 E HA 0.126 4.474 4.350 -0.002 0.000 0.266 419 E C 0.275 176.924 176.600 0.081 0.000 1.031 419 E CA -0.210 56.222 56.400 0.053 0.000 0.911 419 E CB 0.374 30.072 29.700 -0.003 0.000 0.986 419 E HN 0.755 nan 8.360 nan 0.000 0.446 420 F N 1.962 121.932 119.950 0.033 0.000 2.746 420 F HA 0.385 4.911 4.527 -0.002 0.000 0.297 420 F C 0.400 176.204 175.800 0.005 0.000 1.113 420 F CA -0.337 57.675 58.000 0.020 0.000 1.367 420 F CB 0.571 39.583 39.000 0.020 0.000 1.111 420 F HN 0.224 nan 8.300 nan 0.000 0.590 421 E N 0.021 119.920 120.200 -0.502 0.000 2.423 421 E HA 0.181 4.530 4.350 -0.002 0.000 0.280 421 E C -1.072 175.313 176.600 -0.358 0.000 1.030 421 E CA -1.061 55.111 56.400 -0.379 0.000 0.812 421 E CB 1.115 30.554 29.700 -0.435 0.000 1.313 421 E HN -0.046 nan 8.360 nan 0.000 0.456 422 N N 0.490 119.020 118.700 -0.284 0.000 2.411 422 N HA 0.030 4.769 4.740 -0.002 0.000 0.261 422 N C 0.696 176.131 175.510 -0.126 0.000 1.248 422 N CA 1.665 54.558 53.050 -0.261 0.000 0.885 422 N CB 0.819 38.977 38.487 -0.549 0.000 1.062 422 N HN 0.832 nan 8.380 nan 0.000 0.471 423 G N 2.014 110.897 108.800 0.138 0.000 2.155 423 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.257 423 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.257 423 G C -0.060 174.886 174.900 0.075 0.000 0.983 423 G CA 0.044 45.351 45.100 0.344 0.000 0.676 423 G HN 0.519 nan 8.290 nan 0.000 0.528 424 L N 0.063 121.177 121.223 -0.181 0.000 2.372 424 L HA 0.675 5.014 4.340 -0.002 0.000 0.274 424 L C -0.234 176.415 176.870 -0.369 0.000 0.988 424 L CA -0.927 53.675 54.840 -0.397 0.000 0.833 424 L CB 1.767 43.249 42.059 -0.961 0.000 1.236 424 L HN 0.044 nan 8.230 nan 0.000 0.410 425 I N 2.620 123.167 120.570 -0.039 0.000 2.406 425 I HA 0.279 4.448 4.170 -0.002 0.000 0.290 425 I C -0.465 175.811 176.117 0.265 0.000 0.999 425 I CA -0.358 61.008 61.300 0.110 0.000 1.124 425 I CB 1.923 39.907 38.000 -0.026 0.000 1.289 425 I HN 0.412 nan 8.210 nan 0.000 0.441 426 D N 7.515 128.130 120.400 0.359 0.000 2.277 426 D HA 0.490 5.128 4.640 -0.002 0.000 0.249 426 D C -0.370 176.015 176.300 0.141 0.000 1.134 426 D CA 0.207 54.339 54.000 0.221 0.000 0.863 426 D CB 1.171 42.053 40.800 0.135 0.000 1.143 426 D HN 0.305 nan 8.370 nan 0.000 0.458 427 M N 1.354 121.008 119.600 0.091 0.000 2.716 427 M HA 0.195 4.673 4.480 -0.002 0.000 0.307 427 M C 1.455 177.791 176.300 0.059 0.000 1.223 427 M CA -1.042 54.308 55.300 0.083 0.000 0.871 427 M CB 2.294 34.928 32.600 0.057 0.000 1.739 427 M HN 0.033 nan 8.290 nan 0.000 0.475 428 V N 0.383 120.334 119.914 0.061 0.000 2.231 428 V HA -0.249 3.870 4.120 -0.002 0.000 0.250 428 V C 1.161 177.276 176.094 0.035 0.000 1.058 428 V CA 2.415 64.742 62.300 0.045 0.000 1.022 428 V CB -0.825 31.026 31.823 0.047 0.000 0.640 428 V HN 1.007 nan 8.190 nan 0.000 0.445 429 D N -0.320 120.103 120.400 0.038 0.000 2.623 429 D HA 0.248 4.886 4.640 -0.002 0.000 0.252 429 D C 0.330 176.650 176.300 0.033 0.000 1.294 429 D CA -0.416 53.605 54.000 0.036 0.000 0.824 429 D CB 0.220 41.044 40.800 0.039 0.000 1.070 429 D HN 0.718 nan 8.370 nan 0.000 0.487 430 R N -1.837 118.679 120.500 0.026 0.000 2.741 430 R HA 0.462 4.800 4.340 -0.002 0.000 0.276 430 R C -1.474 174.831 176.300 0.010 0.000 1.028 430 R CA -1.008 55.097 56.100 0.008 0.000 0.865 430 R CB 1.009 31.311 30.300 0.003 0.000 1.268 430 R HN -0.026 nan 8.270 nan 0.000 0.475 431 Q N 1.043 120.836 119.800 -0.012 0.000 2.348 431 Q HA 0.614 4.952 4.340 -0.002 0.000 0.271 431 Q C -1.692 174.304 176.000 -0.008 0.000 1.067 431 Q CA -1.211 54.609 55.803 0.028 0.000 0.839 431 Q CB 2.134 30.911 28.738 0.064 0.000 1.354 431 Q HN 0.549 nan 8.270 nan 0.000 0.447 432 L N 2.202 123.425 121.223 -0.001 0.000 2.362 432 L HA 0.840 5.179 4.340 -0.002 0.000 0.275 432 L C -1.736 175.139 176.870 0.008 0.000 0.998 432 L CA -0.204 54.611 54.840 -0.043 0.000 0.820 432 L CB 1.834 43.788 42.059 -0.176 0.000 1.270 432 L HN 0.696 nan 8.230 nan 0.000 0.415 433 A N 4.643 127.492 122.820 0.049 0.000 2.355 433 A HA 0.749 5.068 4.320 -0.002 0.000 0.317 433 A C -1.537 176.158 177.584 0.184 0.000 1.094 433 A CA -0.444 51.651 52.037 0.097 0.000 0.764 433 A CB 0.849 19.897 19.000 0.080 0.000 1.230 433 A HN 0.714 nan 8.150 nan 0.000 0.448 434 F N 2.504 122.486 119.950 0.054 0.000 2.532 434 F HA 0.748 5.274 4.527 -0.002 0.000 0.321 434 F C -1.253 174.594 175.800 0.078 0.000 1.089 434 F CA -0.731 57.310 58.000 0.068 0.000 0.926 434 F CB 1.955 40.956 39.000 0.001 0.000 1.168 434 F HN 0.414 nan 8.300 nan 0.000 0.459 435 V N 6.537 125.958 119.914 -0.822 0.000 2.655 435 V HA 0.405 4.524 4.120 -0.002 0.000 0.301 435 V C -2.402 173.007 176.094 -1.142 0.000 1.082 435 V CA -1.642 60.182 62.300 -0.794 0.000 0.899 435 V CB 2.583 34.209 31.823 -0.327 0.000 1.014 435 V HN 0.642 nan 8.190 nan 0.000 0.429 436 P HA 0.274 nan 4.420 nan 0.000 0.282 436 P C -0.140 176.852 177.300 -0.514 0.000 1.262 436 P CA 0.105 62.743 63.100 -0.770 0.000 0.773 436 P CB 1.063 32.337 31.700 -0.710 0.000 0.879 437 T N 0.543 114.824 114.554 -0.455 0.000 2.852 437 T HA 0.413 4.762 4.350 -0.002 0.000 0.281 437 T C 0.053 174.600 174.700 -0.256 0.000 0.993 437 T CA -0.792 61.085 62.100 -0.373 0.000 0.933 437 T CB 0.799 69.310 68.868 -0.596 0.000 1.187 437 T HN 0.200 nan 8.240 nan 0.000 0.559 438 K N 1.196 121.468 120.400 -0.214 0.000 2.404 438 K HA 0.394 4.713 4.320 -0.002 0.000 0.257 438 K C -0.675 175.838 176.600 -0.144 0.000 1.026 438 K CA -0.678 55.490 56.287 -0.199 0.000 0.951 438 K CB 0.664 33.025 32.500 -0.231 0.000 1.203 438 K HN 0.444 nan 8.250 nan 0.000 0.446 439 I N 3.404 123.890 120.570 -0.139 0.000 2.441 439 I HA 0.119 4.287 4.170 -0.002 0.000 0.287 439 I C 0.322 176.416 176.117 -0.039 0.000 1.049 439 I CA -0.613 60.645 61.300 -0.070 0.000 1.381 439 I CB 1.051 39.014 38.000 -0.061 0.000 1.409 439 I HN 0.193 nan 8.210 nan 0.000 0.523 440 V N 6.322 126.228 119.914 -0.014 0.000 2.350 440 V HA 0.416 4.535 4.120 -0.002 0.000 0.276 440 V C 0.699 176.797 176.094 0.007 0.000 1.028 440 V CA -0.825 61.465 62.300 -0.017 0.000 0.860 440 V CB 1.350 33.157 31.823 -0.027 0.000 0.990 440 V HN 0.885 nan 8.190 nan 0.000 0.453 441 A N 3.968 126.792 122.820 0.005 0.000 2.451 441 A HA 0.501 4.819 4.320 -0.002 0.000 0.266 441 A C 0.770 178.358 177.584 0.006 0.000 1.119 441 A CA 0.300 52.347 52.037 0.016 0.000 0.786 441 A CB 0.002 19.010 19.000 0.014 0.000 1.061 441 A HN 1.326 nan 8.150 nan 0.000 0.503 442 S N 1.885 117.591 115.700 0.009 0.000 3.530 442 S HA -0.089 4.380 4.470 -0.002 0.000 0.472 442 S C -1.881 172.714 174.600 -0.008 0.000 0.818 442 S CA 0.358 58.560 58.200 0.002 0.000 1.367 442 S CB -1.085 62.117 63.200 0.003 0.000 0.912 442 S HN 0.835 nan 8.310 nan 0.000 0.672 443 P HA 0.409 nan 4.420 nan 0.000 0.278 443 P C 0.680 177.964 177.300 -0.027 0.000 1.258 443 P CA -0.635 62.453 63.100 -0.021 0.000 0.811 443 P CB 0.939 32.627 31.700 -0.020 0.000 1.063 444 K N 0.603 120.984 120.400 -0.031 0.000 2.015 444 K HA -0.050 4.269 4.320 -0.002 0.000 0.215 444 K C 2.230 178.814 176.600 -0.027 0.000 1.027 444 K CA 1.646 57.914 56.287 -0.032 0.000 0.960 444 K CB -1.051 31.427 32.500 -0.036 0.000 0.798 444 K HN 0.495 nan 8.250 nan 0.000 0.447 445 S N -0.753 114.927 115.700 -0.033 0.000 2.406 445 S HA -0.181 4.288 4.470 -0.002 0.000 0.211 445 S C 0.929 175.494 174.600 -0.058 0.000 1.045 445 S CA 2.403 60.577 58.200 -0.043 0.000 1.058 445 S CB -0.617 62.549 63.200 -0.057 0.000 1.044 445 S HN 0.477 nan 8.310 nan 0.000 0.413 446 T N -1.448 113.068 114.554 -0.063 0.000 5.658 446 T HA -0.128 4.220 4.350 -0.002 0.000 0.271 446 T C 0.588 175.238 174.700 -0.083 0.000 2.170 446 T CA 0.764 62.824 62.100 -0.067 0.000 3.657 446 T CB -1.948 66.883 68.868 -0.061 0.000 0.929 446 T HN 0.295 nan 8.240 nan 0.000 1.134 447 V N -0.367 119.490 119.914 -0.094 0.000 2.379 447 V HA 0.271 4.390 4.120 -0.002 0.000 0.243 447 V C 2.077 178.107 176.094 -0.107 0.000 1.035 447 V CA 2.020 64.255 62.300 -0.110 0.000 1.035 447 V CB 0.071 31.816 31.823 -0.129 0.000 0.673 447 V HN 0.642 nan 8.190 nan 0.000 0.457 448 G N -1.196 107.540 108.800 -0.107 0.000 4.757 448 G HA2 0.309 4.267 3.960 -0.002 0.000 0.303 448 G HA3 0.309 4.267 3.960 -0.002 0.000 0.303 448 G C 0.803 175.638 174.900 -0.108 0.000 1.318 448 G CA -0.236 44.799 45.100 -0.109 0.000 1.020 448 G HN 0.322 nan 8.290 nan 0.000 0.589 449 I N 0.558 121.065 120.570 -0.106 0.000 2.233 449 I HA -0.061 4.107 4.170 -0.002 0.000 0.243 449 I C 2.918 178.931 176.117 -0.173 0.000 1.093 449 I CA 1.377 62.609 61.300 -0.114 0.000 1.380 449 I CB -0.201 37.746 38.000 -0.089 0.000 1.067 449 I HN 0.309 nan 8.210 nan 0.000 0.413 450 G N 0.776 109.458 108.800 -0.197 0.000 2.442 450 G HA2 -0.243 3.715 3.960 -0.002 0.000 0.219 450 G HA3 -0.243 3.715 3.960 -0.002 0.000 0.219 450 G C 1.236 175.973 174.900 -0.272 0.000 1.141 450 G CA 0.945 45.852 45.100 -0.322 0.000 0.763 450 G HN 0.317 nan 8.290 nan 0.000 0.554 451 D N 0.261 120.563 120.400 -0.163 0.000 2.149 451 D HA -0.058 4.581 4.640 -0.002 0.000 0.201 451 D C 2.738 178.974 176.300 -0.106 0.000 0.972 451 D CA 1.401 55.330 54.000 -0.118 0.000 0.835 451 D CB -0.574 40.171 40.800 -0.091 0.000 0.966 451 D HN 0.230 nan 8.370 nan 0.000 0.476 452 T N 1.434 115.921 114.554 -0.111 0.000 2.746 452 T HA -0.096 4.252 4.350 -0.002 0.000 0.267 452 T C 2.277 176.939 174.700 -0.063 0.000 1.039 452 T CA 0.610 62.667 62.100 -0.072 0.000 1.142 452 T CB -0.176 68.645 68.868 -0.078 0.000 0.866 452 T HN 0.139 nan 8.240 nan 0.000 0.444 453 I N 0.764 121.236 120.570 -0.163 0.000 2.142 453 I HA -0.181 3.988 4.170 -0.002 0.000 0.240 453 I C 2.799 178.826 176.117 -0.150 0.000 1.078 453 I CA 1.072 62.237 61.300 -0.226 0.000 1.343 453 I CB -0.292 37.386 38.000 -0.536 0.000 1.046 453 I HN 0.169 nan 8.210 nan 0.000 0.405 454 S N 0.231 115.808 115.700 -0.204 0.000 2.355 454 S HA -0.160 4.309 4.470 -0.002 0.000 0.222 454 S C 2.184 176.729 174.600 -0.091 0.000 1.031 454 S CA 1.700 59.822 58.200 -0.130 0.000 0.993 454 S CB -0.237 62.879 63.200 -0.140 0.000 0.859 454 S HN 0.598 nan 8.310 nan 0.000 0.453 455 S N 1.189 116.871 115.700 -0.031 0.000 2.383 455 S HA -0.016 4.453 4.470 -0.002 0.000 0.227 455 S C 1.959 176.687 174.600 0.213 0.000 1.026 455 S CA 1.213 59.468 58.200 0.091 0.000 0.981 455 S CB -0.555 62.702 63.200 0.095 0.000 0.818 455 S HN 0.348 nan 8.310 nan 0.000 0.472 456 S N 2.237 118.075 115.700 0.231 0.000 2.383 456 S HA 0.147 4.616 4.470 -0.002 0.000 0.227 456 S C 2.278 177.051 174.600 0.289 0.000 1.026 456 S CA 0.994 59.404 58.200 0.350 0.000 0.981 456 S CB -0.657 62.736 63.200 0.321 0.000 0.818 456 S HN 0.761 nan 8.310 nan 0.000 0.472 457 A N 0.864 123.811 122.820 0.211 0.000 1.898 457 A HA 0.070 4.389 4.320 -0.002 0.000 0.214 457 A C 1.865 179.544 177.584 0.158 0.000 1.183 457 A CA 0.953 53.084 52.037 0.156 0.000 0.622 457 A CB -0.781 18.244 19.000 0.041 0.000 0.824 457 A HN 0.465 nan 8.150 nan 0.000 0.444 458 F N 1.091 121.047 119.950 0.010 0.000 2.075 458 F HA -0.165 4.361 4.527 -0.002 0.000 0.297 458 F C 2.223 178.069 175.800 0.077 0.000 1.113 458 F CA 2.059 60.066 58.000 0.011 0.000 1.218 458 F CB -0.586 38.322 39.000 -0.153 0.000 0.984 458 F HN 0.026 nan 8.300 nan 0.000 0.472 459 V N 0.529 120.407 119.914 -0.060 0.000 2.261 459 V HA -0.297 3.822 4.120 -0.002 0.000 0.246 459 V C 2.743 178.789 176.094 -0.080 0.000 1.047 459 V CA 2.167 64.383 62.300 -0.141 0.000 1.015 459 V CB -1.343 30.513 31.823 0.055 0.000 0.642 459 V HN 0.588 nan 8.190 nan 0.000 0.446 460 S N -0.137 115.522 115.700 -0.068 0.000 2.382 460 S HA -0.290 4.179 4.470 -0.002 0.000 0.228 460 S C 1.965 176.495 174.600 -0.116 0.000 1.027 460 S CA 1.824 59.920 58.200 -0.174 0.000 0.991 460 S CB -0.542 62.478 63.200 -0.299 0.000 0.823 460 S HN 0.725 nan 8.310 nan 0.000 0.469 461 E N 0.269 120.447 120.200 -0.036 0.000 2.085 461 E HA -0.198 4.151 4.350 -0.002 0.000 0.194 461 E C 1.839 178.423 176.600 -0.026 0.000 0.994 461 E CA 1.365 57.765 56.400 -0.000 0.000 0.801 461 E CB -0.326 29.426 29.700 0.087 0.000 0.743 461 E HN 0.643 nan 8.360 nan 0.000 0.453 462 F N 0.861 120.690 119.950 -0.202 0.000 2.134 462 F HA -0.043 4.483 4.527 -0.002 0.000 0.299 462 F C 2.012 177.704 175.800 -0.180 0.000 1.097 462 F CA 1.982 59.846 58.000 -0.227 0.000 1.264 462 F CB -0.634 38.149 39.000 -0.362 0.000 1.001 462 F HN 0.062 nan 8.300 nan 0.000 0.479 463 G N 0.282 108.983 108.800 -0.165 0.000 2.422 463 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.218 463 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.218 463 G C 1.657 176.391 174.900 -0.278 0.000 1.146 463 G CA 0.942 45.897 45.100 -0.242 0.000 0.769 463 G HN 0.399 nan 8.290 nan 0.000 0.547 464 M N -0.286 119.180 119.600 -0.222 0.000 2.175 464 M HA 0.041 4.520 4.480 -0.002 0.000 0.264 464 M C 2.762 178.950 176.300 -0.186 0.000 1.063 464 M CA 0.995 56.186 55.300 -0.181 0.000 1.119 464 M CB -0.178 32.342 32.600 -0.134 0.000 1.377 464 M HN 0.113 nan 8.290 nan 0.000 0.415 465 R N 0.055 120.419 120.500 -0.225 0.000 2.119 465 R HA -0.064 4.274 4.340 -0.002 0.000 0.222 465 R C 2.122 178.232 176.300 -0.317 0.000 1.088 465 R CA 0.803 56.767 56.100 -0.227 0.000 0.984 465 R CB -0.276 29.888 30.300 -0.227 0.000 0.884 465 R HN 0.327 nan 8.270 nan 0.000 0.447 466 K N 0.970 121.068 120.400 -0.502 0.000 2.281 466 K HA -0.142 4.176 4.320 -0.002 0.000 0.203 466 K C -0.094 176.336 176.600 -0.283 0.000 1.046 466 K CA 0.839 56.824 56.287 -0.504 0.000 0.938 466 K CB 0.114 32.225 32.500 -0.648 0.000 0.737 466 K HN 0.074 nan 8.250 nan 0.000 0.458 467 R N 0.000 120.357 120.500 -0.238 0.000 2.786 467 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 467 R CA 0.000 56.005 56.100 -0.159 0.000 0.921 467 R CB 0.000 30.224 30.300 -0.126 0.000 0.687 467 R HN 0.000 nan 8.270 nan 0.000 0.535