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 1oxv_1_B DATA FIRST_RESID 1 DATA SEQUENCE MVRIIVKNVS KVFKKGKVVA LDNVNINIEN GERFGILGPS GAGKTTFMRI DATA SEQUENCE IAGLDVPSTG ELYFDDRLVA SNGKLIVPPE DRKIGMVFQT WALYPNLTAF DATA SEQUENCE ENIAFPLTNM KMSKEEIRKR VEEVAKILDI HHVLNHFPRE LSGGQQQRVA DATA SEQUENCE LARALVKDPS LLLLDEPFSN LDARMRDSAR ALVKEVQSRL GVTLLVVSHD DATA SEQUENCE PADIFAIADR VGVLVKGKLV QVGKPEDLYD NPVSIQVASL IGEINELEGK DATA SEQUENCE VTNEGVVIGS LRFPVSVSSD RAIIGIRPED VKLSKDVIKD DSWILVGKGK DATA SEQUENCE VKVIGYQGGL FRITITPLDS EEEIFTYSDH PIHSGEEVLV YVRKDKIKVF DATA SEQUENCE EKN 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 0.000 176.289 176.300 -0.018 0.000 1.140 1 M CA 0.000 55.293 55.300 -0.011 0.000 0.988 1 M CB 0.000 32.599 32.600 -0.002 0.000 1.302 2 V N 1.011 120.896 119.914 -0.047 0.000 2.932 2 V HA 0.623 4.743 4.120 -0.000 0.000 0.307 2 V C -1.612 174.403 176.094 -0.132 0.000 1.147 2 V CA -0.455 61.800 62.300 -0.076 0.000 0.951 2 V CB 2.706 34.476 31.823 -0.088 0.000 1.031 2 V HN 0.304 nan 8.190 nan 0.000 0.426 3 R N 5.796 126.228 120.500 -0.115 0.000 2.312 3 R HA 0.635 4.975 4.340 -0.000 0.000 0.311 3 R C -1.073 175.114 176.300 -0.188 0.000 1.004 3 R CA -0.613 55.414 56.100 -0.123 0.000 0.902 3 R CB 1.079 31.339 30.300 -0.067 0.000 1.073 3 R HN 0.671 nan 8.270 nan 0.000 0.457 4 I N 6.761 127.197 120.570 -0.224 0.000 2.382 4 I HA 0.291 4.461 4.170 -0.000 0.000 0.286 4 I C -0.107 175.949 176.117 -0.101 0.000 1.002 4 I CA -0.596 60.549 61.300 -0.258 0.000 1.135 4 I CB 1.483 39.253 38.000 -0.383 0.000 1.288 4 I HN 0.614 nan 8.210 nan 0.000 0.448 5 I N 6.627 127.208 120.570 0.019 0.000 2.328 5 I HA 0.268 4.438 4.170 -0.000 0.000 0.287 5 I C -0.189 176.012 176.117 0.140 0.000 1.012 5 I CA -0.685 60.656 61.300 0.068 0.000 1.195 5 I CB 1.663 39.707 38.000 0.073 0.000 1.350 5 I HN 0.167 nan 8.210 nan 0.000 0.464 6 V N 6.625 126.593 119.914 0.090 0.000 2.318 6 V HA 0.257 4.377 4.120 -0.000 0.000 0.271 6 V C 0.059 176.222 176.094 0.115 0.000 1.030 6 V CA -0.590 61.781 62.300 0.119 0.000 0.844 6 V CB 1.094 33.014 31.823 0.163 0.000 1.015 6 V HN 0.536 nan 8.190 nan 0.000 0.460 7 K N 4.319 124.799 120.400 0.134 0.000 2.389 7 K HA 0.411 4.731 4.320 -0.000 0.000 0.261 7 K C 0.333 176.986 176.600 0.088 0.000 1.014 7 K CA -0.198 56.158 56.287 0.115 0.000 0.920 7 K CB -0.084 32.514 32.500 0.165 0.000 1.149 7 K HN 0.615 nan 8.250 nan 0.000 0.444 8 N N 1.345 120.085 118.700 0.068 0.000 2.727 8 N HA -0.184 4.556 4.740 -0.000 0.000 0.249 8 N C -0.952 174.587 175.510 0.049 0.000 1.048 8 N CA 0.639 53.720 53.050 0.051 0.000 0.714 8 N CB -0.894 37.618 38.487 0.042 0.000 0.959 8 N HN 0.214 nan 8.380 nan 0.000 0.544 9 V N 0.551 120.504 119.914 0.066 0.000 2.508 9 V HA 0.315 4.435 4.120 -0.000 0.000 0.281 9 V C 0.638 176.763 176.094 0.053 0.000 1.041 9 V CA 0.198 62.534 62.300 0.059 0.000 1.016 9 V CB 1.557 33.432 31.823 0.087 0.000 0.984 9 V HN 0.244 nan 8.190 nan 0.000 0.478 10 S N 3.968 119.680 115.700 0.019 0.000 2.568 10 S HA 0.774 5.244 4.470 -0.000 0.000 0.293 10 S C -0.762 173.814 174.600 -0.039 0.000 1.089 10 S CA -0.881 57.320 58.200 0.002 0.000 0.945 10 S CB 2.051 65.246 63.200 -0.008 0.000 1.077 10 S HN 0.694 nan 8.310 nan 0.000 0.485 11 K N 1.568 121.929 120.400 -0.065 0.000 2.535 11 K HA 0.717 5.037 4.320 -0.000 0.000 0.250 11 K C -1.844 174.599 176.600 -0.262 0.000 0.948 11 K CA -0.441 55.736 56.287 -0.183 0.000 0.796 11 K CB 1.448 33.848 32.500 -0.167 0.000 1.216 11 K HN 0.395 nan 8.250 nan 0.000 0.432 12 V N 5.094 124.778 119.914 -0.384 0.000 2.864 12 V HA 0.676 4.796 4.120 -0.000 0.000 0.314 12 V C -0.989 174.766 176.094 -0.565 0.000 1.073 12 V CA -0.564 61.549 62.300 -0.311 0.000 0.956 12 V CB 1.435 33.172 31.823 -0.144 0.000 1.023 12 V HN 0.739 nan 8.190 nan 0.000 0.435 13 F N 1.141 121.097 119.950 0.010 0.000 2.664 13 F HA 0.539 5.066 4.527 -0.000 0.000 0.329 13 F C 0.551 176.355 175.800 0.006 0.000 1.090 13 F CA -1.085 56.919 58.000 0.007 0.000 0.978 13 F CB 1.431 40.435 39.000 0.008 0.000 1.378 13 F HN 0.344 nan 8.300 nan 0.000 0.495 14 K N 1.104 121.642 120.400 0.229 0.000 3.150 14 K HA -0.249 4.071 4.320 -0.000 0.000 0.267 14 K C -0.312 176.332 176.600 0.073 0.000 1.028 14 K CA 0.946 57.304 56.287 0.119 0.000 0.753 14 K CB -1.255 31.304 32.500 0.099 0.000 1.288 14 K HN 0.741 nan 8.250 nan 0.000 0.473 15 K N -2.239 118.197 120.400 0.060 0.000 3.088 15 K HA -0.296 4.024 4.320 -0.000 0.000 0.273 15 K C 0.760 177.370 176.600 0.017 0.000 1.111 15 K CA 0.887 57.191 56.287 0.029 0.000 0.803 15 K CB -1.717 30.799 32.500 0.026 0.000 1.226 15 K HN 0.918 nan 8.250 nan 0.000 0.485 16 G N 0.086 108.895 108.800 0.015 0.000 2.213 16 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.226 16 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.226 16 G C 0.643 175.555 174.900 0.020 0.000 0.992 16 G CA 0.649 45.752 45.100 0.004 0.000 0.632 16 G HN 0.331 nan 8.290 nan 0.000 0.511 17 K N 0.242 120.664 120.400 0.036 0.000 2.148 17 K HA 0.297 4.617 4.320 -0.000 0.000 0.204 17 K C 0.643 177.273 176.600 0.050 0.000 1.050 17 K CA 1.462 57.772 56.287 0.038 0.000 0.942 17 K CB 0.046 32.570 32.500 0.039 0.000 0.724 17 K HN 0.283 nan 8.250 nan 0.000 0.446 18 V N 2.031 121.991 119.914 0.078 0.000 2.384 18 V HA 0.233 4.353 4.120 -0.000 0.000 0.287 18 V C -0.818 175.337 176.094 0.102 0.000 1.020 18 V CA -0.959 61.403 62.300 0.103 0.000 0.850 18 V CB 1.702 33.620 31.823 0.159 0.000 0.987 18 V HN -0.149 nan 8.190 nan 0.000 0.436 19 V N 4.911 124.869 119.914 0.074 0.000 2.304 19 V HA 0.366 4.486 4.120 -0.000 0.000 0.269 19 V C 1.124 177.269 176.094 0.084 0.000 1.036 19 V CA 0.341 62.671 62.300 0.049 0.000 0.840 19 V CB 0.846 32.685 31.823 0.026 0.000 1.036 19 V HN 1.012 nan 8.190 nan 0.000 0.466 20 A N 5.723 128.617 122.820 0.123 0.000 1.970 20 A HA 0.318 4.638 4.320 -0.000 0.000 0.216 20 A C 0.717 178.372 177.584 0.118 0.000 1.170 20 A CA 0.966 53.112 52.037 0.182 0.000 0.645 20 A CB 0.081 19.309 19.000 0.379 0.000 0.816 20 A HN 0.612 nan 8.150 nan 0.000 0.447 21 L N -0.316 120.952 121.223 0.076 0.000 2.436 21 L HA 0.419 4.759 4.340 -0.000 0.000 0.268 21 L C -1.710 175.185 176.870 0.042 0.000 0.974 21 L CA -0.739 54.145 54.840 0.072 0.000 0.826 21 L CB 2.340 44.465 42.059 0.110 0.000 1.291 21 L HN 0.044 nan 8.230 nan 0.000 0.406 22 D N 4.007 124.430 120.400 0.038 0.000 2.440 22 D HA 0.229 4.869 4.640 -0.000 0.000 0.252 22 D C -0.348 175.969 176.300 0.027 0.000 1.180 22 D CA -0.195 53.820 54.000 0.026 0.000 0.894 22 D CB 0.614 41.426 40.800 0.020 0.000 1.111 22 D HN 0.452 nan 8.370 nan 0.000 0.544 23 N N 2.396 121.113 118.700 0.030 0.000 2.696 23 N HA -0.136 4.604 4.740 -0.000 0.000 0.256 23 N C -0.709 174.824 175.510 0.039 0.000 1.031 23 N CA 0.444 53.513 53.050 0.032 0.000 0.730 23 N CB -0.962 37.538 38.487 0.023 0.000 0.894 23 N HN 0.221 nan 8.380 nan 0.000 0.544 24 V N 1.227 121.177 119.914 0.059 0.000 2.488 24 V HA 0.220 4.340 4.120 -0.000 0.000 0.277 24 V C 0.677 176.817 176.094 0.076 0.000 1.046 24 V CA -0.339 62.001 62.300 0.066 0.000 0.986 24 V CB 1.324 33.211 31.823 0.108 0.000 0.989 24 V HN 0.251 nan 8.190 nan 0.000 0.475 25 N N 5.996 124.728 118.700 0.052 0.000 2.448 25 N HA 0.678 5.418 4.740 -0.000 0.000 0.279 25 N C -1.124 174.403 175.510 0.029 0.000 1.025 25 N CA -0.276 52.802 53.050 0.047 0.000 0.898 25 N CB 2.486 40.993 38.487 0.033 0.000 1.303 25 N HN 0.538 nan 8.380 nan 0.000 0.495 26 I N 0.991 121.573 120.570 0.020 0.000 2.722 26 I HA 0.287 4.457 4.170 -0.000 0.000 0.292 26 I C -1.066 175.010 176.117 -0.068 0.000 1.267 26 I CA -0.911 60.364 61.300 -0.042 0.000 1.036 26 I CB 2.294 40.227 38.000 -0.112 0.000 1.281 26 I HN 0.136 nan 8.210 nan 0.000 0.423 27 N N 6.110 124.752 118.700 -0.095 0.000 2.476 27 N HA 0.566 5.306 4.740 -0.000 0.000 0.257 27 N C -0.945 174.466 175.510 -0.164 0.000 0.970 27 N CA -0.333 52.658 53.050 -0.099 0.000 0.938 27 N CB 2.149 40.601 38.487 -0.058 0.000 1.144 27 N HN 0.500 nan 8.380 nan 0.000 0.500 28 I N 1.416 121.859 120.570 -0.212 0.000 2.331 28 I HA 0.158 4.328 4.170 -0.000 0.000 0.292 28 I C 0.680 176.719 176.117 -0.130 0.000 0.998 28 I CA -0.667 60.489 61.300 -0.240 0.000 1.267 28 I CB 1.054 38.856 38.000 -0.329 0.000 1.386 28 I HN 0.117 nan 8.210 nan 0.000 0.476 29 E N 4.483 124.641 120.200 -0.070 0.000 2.373 29 E HA 0.071 4.421 4.350 -0.000 0.000 0.263 29 E C -0.310 176.264 176.600 -0.043 0.000 1.073 29 E CA -0.429 55.945 56.400 -0.044 0.000 0.894 29 E CB 0.694 30.386 29.700 -0.013 0.000 1.008 29 E HN 0.471 nan 8.360 nan 0.000 0.420 30 N N 0.140 118.816 118.700 -0.041 0.000 2.374 30 N HA -0.007 4.733 4.740 -0.000 0.000 0.269 30 N C 0.853 176.352 175.510 -0.018 0.000 1.310 30 N CA 1.095 54.123 53.050 -0.035 0.000 0.877 30 N CB 0.040 38.511 38.487 -0.026 0.000 1.096 30 N HN 0.629 nan 8.380 nan 0.000 0.484 31 G N 2.033 110.823 108.800 -0.015 0.000 2.179 31 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.260 31 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.260 31 G C 0.053 174.961 174.900 0.014 0.000 0.977 31 G CA 0.356 45.455 45.100 -0.001 0.000 0.641 31 G HN 0.716 nan 8.290 nan 0.000 0.533 32 E N 0.427 120.640 120.200 0.021 0.000 2.383 32 E HA 0.447 4.796 4.350 -0.000 0.000 0.264 32 E C 0.517 177.165 176.600 0.079 0.000 1.050 32 E CA -0.636 55.797 56.400 0.055 0.000 0.896 32 E CB 0.309 30.057 29.700 0.079 0.000 0.982 32 E HN 0.371 nan 8.360 nan 0.000 0.424 33 R N 3.949 124.498 120.500 0.083 0.000 2.215 33 R HA 0.254 4.594 4.340 -0.000 0.000 0.337 33 R C -1.056 175.315 176.300 0.119 0.000 1.010 33 R CA -0.422 55.729 56.100 0.085 0.000 0.871 33 R CB 0.497 30.822 30.300 0.041 0.000 1.134 33 R HN 0.377 nan 8.270 nan 0.000 0.477 34 F N 1.298 121.249 119.950 0.002 0.000 2.444 34 F HA 0.563 5.090 4.527 -0.000 0.000 0.342 34 F C 0.219 176.023 175.800 0.008 0.000 1.121 34 F CA -0.358 57.642 58.000 0.001 0.000 0.997 34 F CB 1.770 40.778 39.000 0.015 0.000 1.130 34 F HN 0.496 nan 8.300 nan 0.000 0.454 35 G N 5.959 114.517 108.800 -0.404 0.000 2.454 35 G HA2 0.628 4.588 3.960 -0.000 0.000 0.329 35 G HA3 0.628 4.588 3.960 -0.000 0.000 0.329 35 G C -1.558 173.173 174.900 -0.282 0.000 1.177 35 G CA -0.672 44.299 45.100 -0.216 0.000 0.951 35 G HN 0.521 nan 8.290 nan 0.000 0.485 36 I N 1.393 121.916 120.570 -0.080 0.000 2.447 36 I HA 0.332 4.502 4.170 -0.000 0.000 0.287 36 I C -1.018 175.067 176.117 -0.053 0.000 1.023 36 I CA -0.521 60.738 61.300 -0.068 0.000 1.083 36 I CB 1.626 39.616 38.000 -0.018 0.000 1.245 36 I HN 0.270 nan 8.210 nan 0.000 0.434 37 L N 6.001 127.188 121.223 -0.060 0.000 2.334 37 L HA 0.978 5.318 4.340 -0.000 0.000 0.276 37 L C -0.187 176.682 176.870 -0.002 0.000 1.014 37 L CA 0.218 55.047 54.840 -0.017 0.000 0.815 37 L CB 1.967 44.019 42.059 -0.013 0.000 1.268 37 L HN 0.725 nan 8.230 nan 0.000 0.428 38 G N 3.339 112.158 108.800 0.032 0.000 2.442 38 G HA2 0.436 4.396 3.960 -0.000 0.000 0.296 38 G HA3 0.436 4.396 3.960 -0.000 0.000 0.296 38 G C -3.343 171.594 174.900 0.063 0.000 1.564 38 G CA -0.769 44.351 45.100 0.033 0.000 0.828 38 G HN 0.449 nan 8.290 nan 0.000 0.571 39 P HA 0.306 nan 4.420 nan 0.000 0.271 39 P C 0.514 177.834 177.300 0.033 0.000 1.244 39 P CA -0.276 62.846 63.100 0.037 0.000 0.793 39 P CB 0.659 32.367 31.700 0.013 0.000 0.984 40 S N -0.024 115.678 115.700 0.004 0.000 2.546 40 S HA 0.327 4.797 4.470 -0.000 0.000 0.290 40 S C 1.354 175.956 174.600 0.004 0.000 1.290 40 S CA 1.074 59.272 58.200 -0.002 0.000 1.069 40 S CB -1.493 61.681 63.200 -0.043 0.000 0.846 40 S HN 0.865 nan 8.310 nan 0.000 0.495 41 G N 3.070 111.878 108.800 0.012 0.000 2.157 41 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.248 41 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.248 41 G C 0.871 175.787 174.900 0.027 0.000 0.979 41 G CA 0.322 45.430 45.100 0.013 0.000 0.650 41 G HN 1.304 nan 8.290 nan 0.000 0.529 42 A N -0.240 122.598 122.820 0.030 0.000 2.066 42 A HA 0.501 4.821 4.320 -0.000 0.000 0.218 42 A C 2.563 180.173 177.584 0.044 0.000 1.157 42 A CA 2.311 54.366 52.037 0.030 0.000 0.670 42 A CB -0.363 18.650 19.000 0.021 0.000 0.804 42 A HN 2.504 nan 8.150 nan 0.000 0.453 43 G N -1.220 107.616 108.800 0.060 0.000 2.145 43 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.145 43 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.145 43 G C 0.703 175.670 174.900 0.112 0.000 1.017 43 G CA 0.458 45.616 45.100 0.096 0.000 0.682 43 G HN 0.451 nan 8.290 nan 0.000 0.504 44 K N -0.297 120.151 120.400 0.080 0.000 2.002 44 K HA -0.035 4.285 4.320 -0.000 0.000 0.209 44 K C 2.499 179.165 176.600 0.111 0.000 1.048 44 K CA 1.837 58.179 56.287 0.092 0.000 0.930 44 K CB -0.321 32.212 32.500 0.055 0.000 0.714 44 K HN 0.245 nan 8.250 nan 0.000 0.438 45 T N 0.944 115.522 114.554 0.039 0.000 2.867 45 T HA -0.103 4.247 4.350 -0.000 0.000 0.268 45 T C 1.901 176.608 174.700 0.011 0.000 1.057 45 T CA 1.615 63.690 62.100 -0.041 0.000 1.136 45 T CB -0.304 68.514 68.868 -0.082 0.000 0.874 45 T HN 0.283 nan 8.240 nan 0.000 0.466 46 T N 1.750 116.362 114.554 0.098 0.000 2.708 46 T HA -0.068 4.282 4.350 -0.000 0.000 0.266 46 T C 1.521 176.312 174.700 0.152 0.000 1.037 46 T CA 1.047 63.241 62.100 0.157 0.000 1.146 46 T CB -0.501 68.513 68.868 0.244 0.000 0.865 46 T HN 0.380 nan 8.240 nan 0.000 0.435 47 F N 1.791 121.766 119.950 0.041 0.000 2.102 47 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 47 F C 2.206 178.030 175.800 0.041 0.000 1.105 47 F CA 1.293 59.318 58.000 0.042 0.000 1.239 47 F CB -0.334 38.694 39.000 0.047 0.000 0.991 47 F HN -0.010 nan 8.300 nan 0.000 0.474 48 M N 0.038 119.690 119.600 0.088 0.000 2.159 48 M HA -0.176 4.303 4.480 -0.000 0.000 0.263 48 M C 2.249 178.528 176.300 -0.036 0.000 1.063 48 M CA 1.564 56.858 55.300 -0.011 0.000 1.110 48 M CB -1.248 31.330 32.600 -0.038 0.000 1.374 48 M HN 0.189 nan 8.290 nan 0.000 0.411 49 R N 0.056 120.526 120.500 -0.050 0.000 2.092 49 R HA -0.024 4.316 4.340 -0.000 0.000 0.231 49 R C 2.197 178.501 176.300 0.007 0.000 1.119 49 R CA 1.089 57.196 56.100 0.012 0.000 0.970 49 R CB -0.300 30.010 30.300 0.018 0.000 0.864 49 R HN 0.343 nan 8.270 nan 0.000 0.440 50 I N 0.520 121.057 120.570 -0.054 0.000 2.252 50 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 50 I C 1.957 178.010 176.117 -0.107 0.000 1.102 50 I CA 0.824 62.072 61.300 -0.088 0.000 1.385 50 I CB -0.130 37.801 38.000 -0.115 0.000 1.064 50 I HN 0.110 nan 8.210 nan 0.000 0.414 51 I N 1.117 121.580 120.570 -0.177 0.000 2.226 51 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 51 I C 2.838 179.023 176.117 0.114 0.000 1.100 51 I CA 1.605 62.874 61.300 -0.052 0.000 1.374 51 I CB -1.603 36.304 38.000 -0.155 0.000 1.057 51 I HN 0.156 nan 8.210 nan 0.000 0.413 52 A N 0.049 122.931 122.820 0.103 0.000 1.972 52 A HA 0.081 4.401 4.320 -0.000 0.000 0.219 52 A C 2.046 179.650 177.584 0.033 0.000 1.169 52 A CA 1.716 53.831 52.037 0.130 0.000 0.635 52 A CB -0.778 18.369 19.000 0.244 0.000 0.810 52 A HN 0.623 nan 8.150 nan 0.000 0.446 53 G N -1.947 106.852 108.800 -0.002 0.000 2.144 53 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 53 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 53 G C 0.659 175.555 174.900 -0.006 0.000 0.988 53 G CA 0.340 45.412 45.100 -0.047 0.000 0.659 53 G HN 0.440 nan 8.290 nan 0.000 0.522 54 L N -0.530 120.718 121.223 0.041 0.000 2.395 54 L HA 0.307 4.647 4.340 -0.000 0.000 0.218 54 L C 1.011 177.910 176.870 0.047 0.000 1.130 54 L CA 0.907 55.784 54.840 0.063 0.000 0.826 54 L CB 0.000 42.131 42.059 0.120 0.000 0.941 54 L HN 0.283 nan 8.230 nan 0.000 0.451 55 D N -1.262 119.155 120.400 0.029 0.000 2.626 55 D HA 0.507 5.147 4.640 -0.000 0.000 0.278 55 D C -1.196 175.094 176.300 -0.017 0.000 1.211 55 D CA -0.242 53.772 54.000 0.022 0.000 0.903 55 D CB 2.850 43.685 40.800 0.058 0.000 1.408 55 D HN -0.220 nan 8.370 nan 0.000 0.454 56 V N -2.012 117.883 119.914 -0.032 0.000 3.040 56 V HA 0.770 4.890 4.120 -0.000 0.000 0.312 56 V C -2.773 173.280 176.094 -0.067 0.000 1.115 56 V CA -2.227 60.039 62.300 -0.056 0.000 0.998 56 V CB 1.507 33.294 31.823 -0.060 0.000 1.042 56 V HN 0.378 nan 8.190 nan 0.000 0.433 57 P HA 0.301 nan 4.420 nan 0.000 0.268 57 P C 0.574 177.828 177.300 -0.076 0.000 1.205 57 P CA 0.189 63.251 63.100 -0.063 0.000 0.771 57 P CB 0.944 32.616 31.700 -0.046 0.000 0.858 58 S N 0.137 115.782 115.700 -0.093 0.000 2.371 58 S HA -0.003 4.467 4.470 -0.000 0.000 0.224 58 S C 0.889 175.453 174.600 -0.060 0.000 1.029 58 S CA 1.282 59.426 58.200 -0.093 0.000 0.978 58 S CB -0.435 62.693 63.200 -0.120 0.000 0.833 58 S HN 0.746 nan 8.310 nan 0.000 0.466 59 T N -1.417 113.109 114.554 -0.046 0.000 2.903 59 T HA 0.696 5.046 4.350 -0.000 0.000 0.299 59 T C -0.105 174.587 174.700 -0.014 0.000 1.093 59 T CA -0.274 61.810 62.100 -0.027 0.000 1.002 59 T CB 1.825 70.682 68.868 -0.018 0.000 1.127 59 T HN 0.729 nan 8.240 nan 0.000 0.488 60 G N 1.085 109.882 108.800 -0.005 0.000 2.603 60 G HA2 0.182 4.142 3.960 -0.000 0.000 0.686 60 G HA3 0.182 4.142 3.960 -0.000 0.000 0.686 60 G C -1.358 173.539 174.900 -0.005 0.000 1.286 60 G CA -0.850 44.257 45.100 0.012 0.000 0.871 60 G HN 0.954 nan 8.290 nan 0.000 0.568 61 E N -1.099 119.112 120.200 0.018 0.000 2.312 61 E HA 0.649 4.999 4.350 -0.000 0.000 0.267 61 E C -1.096 175.483 176.600 -0.034 0.000 0.894 61 E CA -0.995 55.373 56.400 -0.052 0.000 0.773 61 E CB 2.775 32.466 29.700 -0.015 0.000 1.241 61 E HN 0.611 nan 8.360 nan 0.000 0.432 62 L N 2.341 123.457 121.223 -0.178 0.000 2.381 62 L HA 0.447 4.787 4.340 -0.000 0.000 0.274 62 L C -1.976 174.796 176.870 -0.163 0.000 0.988 62 L CA -0.487 54.322 54.840 -0.050 0.000 0.824 62 L CB 0.891 42.938 42.059 -0.019 0.000 1.263 62 L HN 0.440 nan 8.230 nan 0.000 0.410 63 Y N 4.555 124.934 120.300 0.132 0.000 2.409 63 Y HA 0.588 5.138 4.550 -0.000 0.000 0.343 63 Y C -0.849 175.237 175.900 0.310 0.000 0.973 63 Y CA -0.471 57.728 58.100 0.164 0.000 1.064 63 Y CB 1.786 40.293 38.460 0.078 0.000 1.207 63 Y HN 0.372 nan 8.280 nan 0.000 0.452 64 F N 3.596 123.610 119.950 0.106 0.000 2.361 64 F HA 0.309 4.836 4.527 -0.000 0.000 0.364 64 F C 0.470 176.311 175.800 0.068 0.000 1.117 64 F CA -0.982 57.051 58.000 0.056 0.000 1.071 64 F CB 0.300 39.310 39.000 0.015 0.000 1.188 64 F HN 0.643 nan 8.300 nan 0.000 0.464 65 D N 1.265 121.748 120.400 0.138 0.000 3.608 65 D HA -0.350 4.290 4.640 -0.000 0.000 0.152 65 D C 1.198 177.566 176.300 0.113 0.000 0.971 65 D CA 2.018 56.070 54.000 0.086 0.000 1.072 65 D CB -0.673 40.173 40.800 0.076 0.000 0.507 65 D HN 0.551 nan 8.370 nan 0.000 0.520 66 D N 0.200 120.660 120.400 0.101 0.000 2.339 66 D HA 0.192 4.832 4.640 -0.000 0.000 0.217 66 D C 1.010 177.438 176.300 0.214 0.000 1.050 66 D CA 0.841 54.903 54.000 0.103 0.000 0.856 66 D CB -0.026 40.803 40.800 0.049 0.000 0.922 66 D HN 0.250 nan 8.370 nan 0.000 0.518 67 R N 0.272 120.904 120.500 0.219 0.000 2.234 67 R HA 0.464 4.804 4.340 -0.000 0.000 0.324 67 R C -0.512 175.879 176.300 0.152 0.000 1.054 67 R CA -0.540 55.661 56.100 0.168 0.000 0.912 67 R CB 0.726 31.081 30.300 0.091 0.000 1.030 67 R HN 0.248 nan 8.270 nan 0.000 0.455 68 L N 6.684 127.923 121.223 0.027 0.000 2.369 68 L HA 0.133 4.473 4.340 -0.000 0.000 0.279 68 L C 0.569 177.296 176.870 -0.237 0.000 1.108 68 L CA 0.336 54.981 54.840 -0.325 0.000 0.852 68 L CB 1.351 43.218 42.059 -0.320 0.000 1.169 68 L HN 0.739 nan 8.230 nan 0.000 0.452 69 V N 2.462 122.215 119.914 -0.269 0.000 3.431 69 V HA 0.721 4.841 4.120 -0.000 0.000 0.253 69 V C 0.637 176.597 176.094 -0.223 0.000 1.184 69 V CA 0.607 62.754 62.300 -0.256 0.000 1.104 69 V CB -0.471 31.115 31.823 -0.395 0.000 0.799 69 V HN 0.911 nan 8.190 nan 0.000 0.462 70 A N -0.502 122.184 122.820 -0.223 0.000 2.589 70 A HA 0.820 5.140 4.320 -0.000 0.000 0.296 70 A C -0.637 176.842 177.584 -0.174 0.000 1.062 70 A CA 0.236 52.172 52.037 -0.167 0.000 0.686 70 A CB 1.703 20.622 19.000 -0.134 0.000 1.282 70 A HN 0.885 nan 8.150 nan 0.000 0.404 71 S N 1.581 117.204 115.700 -0.127 0.000 2.584 71 S HA 0.460 4.930 4.470 -0.000 0.000 0.280 71 S C -0.764 173.794 174.600 -0.071 0.000 1.162 71 S CA -0.461 57.675 58.200 -0.106 0.000 0.951 71 S CB 0.451 63.581 63.200 -0.116 0.000 1.108 71 S HN 1.154 nan 8.310 nan 0.000 0.464 72 N N 3.015 121.682 118.700 -0.055 0.000 2.678 72 N HA -0.214 4.526 4.740 -0.000 0.000 0.268 72 N C 0.990 176.472 175.510 -0.047 0.000 1.010 72 N CA 1.745 54.769 53.050 -0.044 0.000 0.784 72 N CB -1.337 37.131 38.487 -0.032 0.000 0.905 72 N HN 1.694 nan 8.380 nan 0.000 0.552 73 G N -1.424 107.343 108.800 -0.055 0.000 2.179 73 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.260 73 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.260 73 G C 0.057 174.928 174.900 -0.049 0.000 0.977 73 G CA 0.904 45.972 45.100 -0.052 0.000 0.641 73 G HN 0.665 nan 8.290 nan 0.000 0.533 74 K N 0.221 120.587 120.400 -0.056 0.000 2.274 74 K HA 0.725 5.045 4.320 -0.000 0.000 0.262 74 K C -0.387 176.171 176.600 -0.070 0.000 0.961 74 K CA -1.133 55.121 56.287 -0.056 0.000 0.833 74 K CB 1.134 33.603 32.500 -0.053 0.000 1.102 74 K HN 0.292 nan 8.250 nan 0.000 0.436 75 L N 6.904 128.088 121.223 -0.065 0.000 2.283 75 L HA 0.361 4.701 4.340 -0.000 0.000 0.287 75 L C 0.106 176.926 176.870 -0.082 0.000 1.073 75 L CA 0.466 55.259 54.840 -0.078 0.000 0.822 75 L CB 0.219 42.239 42.059 -0.063 0.000 1.186 75 L HN 0.913 nan 8.230 nan 0.000 0.436 76 I N 4.212 124.719 120.570 -0.105 0.000 2.810 76 I HA 0.087 4.257 4.170 -0.000 0.000 0.262 76 I C -0.062 175.992 176.117 -0.104 0.000 1.131 76 I CA 0.333 61.574 61.300 -0.099 0.000 1.453 76 I CB 0.261 38.194 38.000 -0.111 0.000 1.161 76 I HN 0.274 nan 8.210 nan 0.000 0.444 77 V N 3.290 123.121 119.914 -0.139 0.000 2.376 77 V HA 0.336 4.456 4.120 -0.000 0.000 0.287 77 V C -2.375 173.624 176.094 -0.158 0.000 1.015 77 V CA -1.640 60.571 62.300 -0.149 0.000 0.834 77 V CB 1.185 32.889 31.823 -0.198 0.000 1.001 77 V HN -0.017 nan 8.190 nan 0.000 0.428 78 P HA 0.262 nan 4.420 nan 0.000 0.273 78 P C -2.169 175.066 177.300 -0.109 0.000 1.250 78 P CA -1.580 61.462 63.100 -0.096 0.000 0.793 78 P CB 0.229 31.889 31.700 -0.067 0.000 1.011 79 P HA -0.196 nan 4.420 nan 0.000 0.216 79 P C 1.051 178.313 177.300 -0.063 0.000 1.150 79 P CA 1.641 64.700 63.100 -0.069 0.000 0.837 79 P CB -0.316 31.368 31.700 -0.026 0.000 0.786 80 E N -0.492 119.675 120.200 -0.054 0.000 2.209 80 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 80 E C 0.813 177.381 176.600 -0.054 0.000 0.993 80 E CA 1.090 57.460 56.400 -0.051 0.000 0.819 80 E CB -0.691 28.980 29.700 -0.049 0.000 0.745 80 E HN 0.314 nan 8.360 nan 0.000 0.477 81 D N -0.155 120.203 120.400 -0.070 0.000 2.402 81 D HA 0.114 4.754 4.640 -0.000 0.000 0.216 81 D C 0.889 177.139 176.300 -0.083 0.000 1.128 81 D CA 0.047 54.006 54.000 -0.069 0.000 0.833 81 D CB 0.340 41.096 40.800 -0.072 0.000 0.971 81 D HN 0.104 nan 8.370 nan 0.000 0.503 82 R N 0.724 121.167 120.500 -0.095 0.000 2.362 82 R HA 0.127 4.467 4.340 -0.000 0.000 0.227 82 R C 0.068 176.399 176.300 0.052 0.000 0.905 82 R CA -0.119 55.913 56.100 -0.115 0.000 1.067 82 R CB 0.459 30.602 30.300 -0.261 0.000 1.078 82 R HN -0.078 nan 8.270 nan 0.000 0.516 83 K N 1.129 121.549 120.400 0.033 0.000 3.393 83 K HA -0.177 4.143 4.320 -0.000 0.000 0.272 83 K C -0.751 175.898 176.600 0.082 0.000 1.004 83 K CA 0.717 57.036 56.287 0.053 0.000 0.764 83 K CB -1.498 31.040 32.500 0.064 0.000 1.373 83 K HN 0.276 nan 8.250 nan 0.000 0.458 84 I N -0.191 120.415 120.570 0.059 0.000 2.646 84 I HA 0.453 4.623 4.170 -0.000 0.000 0.299 84 I C 0.790 176.909 176.117 0.003 0.000 1.036 84 I CA -0.890 60.447 61.300 0.062 0.000 1.074 84 I CB 2.228 40.286 38.000 0.095 0.000 1.258 84 I HN 0.217 nan 8.210 nan 0.000 0.430 85 G N 5.676 114.467 108.800 -0.015 0.000 2.461 85 G HA2 0.773 4.733 3.960 -0.000 0.000 0.323 85 G HA3 0.773 4.733 3.960 -0.000 0.000 0.323 85 G C -0.944 173.888 174.900 -0.114 0.000 1.229 85 G CA -0.602 44.462 45.100 -0.060 0.000 0.941 85 G HN 0.432 nan 8.290 nan 0.000 0.477 86 M N 1.679 121.149 119.600 -0.217 0.000 2.393 86 M HA 0.477 4.957 4.480 -0.000 0.000 0.316 86 M C -0.989 175.073 176.300 -0.396 0.000 1.087 86 M CA -0.966 54.069 55.300 -0.443 0.000 0.937 86 M CB 2.918 34.987 32.600 -0.885 0.000 1.668 86 M HN 0.128 nan 8.290 nan 0.000 0.438 87 V N 3.883 123.602 119.914 -0.324 0.000 2.385 87 V HA 0.473 4.593 4.120 -0.000 0.000 0.277 87 V C -0.788 175.343 176.094 0.062 0.000 1.012 87 V CA -0.336 61.837 62.300 -0.211 0.000 0.832 87 V CB 0.478 32.141 31.823 -0.267 0.000 1.028 87 V HN 0.741 nan 8.190 nan 0.000 0.436 88 F N 1.874 121.878 119.950 0.090 0.000 2.450 88 F HA 0.293 4.820 4.527 -0.000 0.000 0.328 88 F C 1.501 177.487 175.800 0.309 0.000 1.068 88 F CA -1.154 56.928 58.000 0.137 0.000 1.007 88 F CB 1.917 40.991 39.000 0.123 0.000 1.251 88 F HN 0.384 nan 8.300 nan 0.000 0.492 89 Q N -0.596 119.452 119.800 0.414 0.000 2.170 89 Q HA -0.134 4.206 4.340 -0.000 0.000 0.203 89 Q C 1.683 177.826 176.000 0.238 0.000 0.976 89 Q CA 1.890 57.905 55.803 0.354 0.000 0.858 89 Q CB -1.220 27.622 28.738 0.173 0.000 0.907 89 Q HN 0.753 nan 8.270 nan 0.000 0.433 90 T N -1.675 112.998 114.554 0.198 0.000 3.160 90 T HA -0.064 4.286 4.350 -0.000 0.000 0.257 90 T C 0.380 175.092 174.700 0.019 0.000 1.147 90 T CA -0.403 61.729 62.100 0.052 0.000 1.064 90 T CB -0.739 68.175 68.868 0.078 0.000 0.949 90 T HN 0.514 nan 8.240 nan 0.000 0.526 91 W N 2.001 123.348 121.300 0.079 0.000 2.761 91 W HA 0.368 5.028 4.660 -0.000 0.000 0.375 91 W C -0.530 175.995 176.519 0.010 0.000 1.271 91 W CA -1.140 56.232 57.345 0.045 0.000 1.281 91 W CB -0.998 28.486 29.460 0.041 0.000 1.373 91 W HN 0.285 nan 8.180 nan 0.000 0.587 92 A N 6.982 129.762 122.820 -0.066 0.000 2.621 92 A HA 0.378 4.698 4.320 -0.000 0.000 0.329 92 A C -0.425 177.107 177.584 -0.088 0.000 1.458 92 A CA -0.841 51.050 52.037 -0.244 0.000 1.052 92 A CB 0.080 18.889 19.000 -0.318 0.000 1.142 92 A HN 0.674 nan 8.150 nan 0.000 0.523 93 L N 3.944 125.177 121.223 0.017 0.000 2.699 93 L HA 0.092 4.432 4.340 -0.000 0.000 0.283 93 L C -0.470 176.475 176.870 0.126 0.000 1.166 93 L CA 0.175 55.141 54.840 0.211 0.000 1.043 93 L CB -1.182 41.060 42.059 0.305 0.000 1.369 93 L HN 0.609 nan 8.230 nan 0.000 0.462 94 Y N 6.183 126.475 120.300 -0.013 0.000 2.981 94 Y HA -0.148 4.402 4.550 -0.000 0.000 0.359 94 Y C -1.181 174.727 175.900 0.013 0.000 1.271 94 Y CA -0.521 57.553 58.100 -0.043 0.000 1.617 94 Y CB -0.290 38.096 38.460 -0.124 0.000 1.154 94 Y HN 0.580 nan 8.280 nan 0.000 0.570 95 P HA -0.034 nan 4.420 nan 0.000 0.227 95 P C 1.146 178.547 177.300 0.168 0.000 1.161 95 P CA 1.659 64.823 63.100 0.106 0.000 0.788 95 P CB 0.241 31.948 31.700 0.011 0.000 0.822 96 N N -0.363 118.437 118.700 0.167 0.000 2.422 96 N HA 0.081 4.821 4.740 -0.000 0.000 0.181 96 N C 0.716 176.429 175.510 0.337 0.000 1.080 96 N CA 0.370 53.520 53.050 0.166 0.000 0.893 96 N CB -0.433 nan 38.487 nan 0.000 0.973 96 N HN 0.080 nan 8.380 nan 0.000 0.456 97 L N 1.402 122.806 121.223 0.302 0.000 2.331 97 L HA 0.386 4.726 4.340 -0.000 0.000 0.275 97 L C 0.982 177.906 176.870 0.090 0.000 1.022 97 L CA -0.990 53.971 54.840 0.201 0.000 0.812 97 L CB 1.938 44.008 42.059 0.019 0.000 1.257 97 L HN 0.332 nan 8.230 nan 0.000 0.435 98 T N -1.232 113.183 114.554 -0.231 0.000 2.701 98 T HA 0.178 4.528 4.350 -0.000 0.000 0.303 98 T C 1.245 175.864 174.700 -0.135 0.000 1.030 98 T CA 0.013 61.823 62.100 -0.483 0.000 1.010 98 T CB 0.961 69.549 68.868 -0.466 0.000 1.007 98 T HN 0.668 nan 8.240 nan 0.000 0.532 99 A N 0.431 123.191 122.820 -0.100 0.000 1.908 99 A HA 0.014 4.334 4.320 -0.000 0.000 0.218 99 A C 1.981 179.566 177.584 0.003 0.000 1.181 99 A CA 1.620 53.644 52.037 -0.022 0.000 0.627 99 A CB -1.305 17.677 19.000 -0.031 0.000 0.818 99 A HN 0.882 nan 8.150 nan 0.000 0.445 100 F N 1.004 120.893 119.950 -0.102 0.000 2.069 100 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 100 F C 2.273 178.049 175.800 -0.040 0.000 1.113 100 F CA 2.412 60.370 58.000 -0.071 0.000 1.214 100 F CB -0.233 38.716 39.000 -0.085 0.000 0.978 100 F HN 0.372 nan 8.300 nan 0.000 0.474 101 E N -0.212 120.088 120.200 0.166 0.000 2.150 101 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 101 E C 1.965 178.551 176.600 -0.022 0.000 0.985 101 E CA 0.947 57.404 56.400 0.095 0.000 0.814 101 E CB -0.338 29.430 29.700 0.114 0.000 0.752 101 E HN 0.515 nan 8.360 nan 0.000 0.466 102 N N 0.903 119.578 118.700 -0.043 0.000 2.084 102 N HA -0.117 4.623 4.740 -0.000 0.000 0.190 102 N C 1.967 177.458 175.510 -0.031 0.000 1.030 102 N CA 1.048 54.071 53.050 -0.046 0.000 0.849 102 N CB -0.030 38.466 38.487 0.015 0.000 1.012 102 N HN 0.177 nan 8.380 nan 0.000 0.423 103 I N 1.034 121.547 120.570 -0.094 0.000 2.394 103 I HA -0.149 4.021 4.170 -0.000 0.000 0.251 103 I C 2.285 178.303 176.117 -0.164 0.000 1.136 103 I CA 0.616 61.841 61.300 -0.125 0.000 1.425 103 I CB -0.179 37.716 38.000 -0.174 0.000 1.079 103 I HN 0.040 nan 8.210 nan 0.000 0.425 104 A N 0.281 122.943 122.820 -0.263 0.000 2.067 104 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 104 A C 2.092 179.644 177.584 -0.052 0.000 1.156 104 A CA 0.498 52.391 52.037 -0.240 0.000 0.683 104 A CB -0.711 18.053 19.000 -0.393 0.000 0.808 104 A HN 0.360 nan 8.150 nan 0.000 0.455 105 F N 1.712 121.567 119.950 -0.159 0.000 2.063 105 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 105 F C -0.715 175.021 175.800 -0.106 0.000 1.109 105 F CA 2.259 60.178 58.000 -0.135 0.000 1.212 105 F CB -1.217 37.676 39.000 -0.179 0.000 0.973 105 F HN 0.186 nan 8.300 nan 0.000 0.480 106 P HA -0.133 nan 4.420 nan 0.000 0.223 106 P C 1.557 178.766 177.300 -0.153 0.000 1.144 106 P CA 1.408 64.426 63.100 -0.135 0.000 0.783 106 P CB -0.192 31.479 31.700 -0.049 0.000 0.771 107 L N -2.202 118.941 121.223 -0.133 0.000 2.591 107 L HA 0.039 4.379 4.340 -0.000 0.000 0.228 107 L C 1.955 178.752 176.870 -0.122 0.000 1.133 107 L CA 0.463 55.237 54.840 -0.110 0.000 0.880 107 L CB -1.137 40.870 42.059 -0.086 0.000 1.033 107 L HN -0.022 nan 8.230 nan 0.000 0.450 108 T N 0.437 114.879 114.554 -0.186 0.000 2.624 108 T HA -0.268 4.082 4.350 -0.000 0.000 0.268 108 T C 1.532 176.155 174.700 -0.129 0.000 1.041 108 T CA 2.185 64.178 62.100 -0.177 0.000 1.159 108 T CB -0.503 68.177 68.868 -0.313 0.000 0.863 108 T HN 0.648 nan 8.240 nan 0.000 0.434 109 N N 0.263 118.879 118.700 -0.141 0.000 2.458 109 N HA 0.341 5.081 4.740 -0.000 0.000 0.274 109 N C 0.719 176.182 175.510 -0.078 0.000 1.242 109 N CA -0.147 52.844 53.050 -0.099 0.000 0.904 109 N CB -0.255 38.170 38.487 -0.103 0.000 1.206 109 N HN 0.110 nan 8.380 nan 0.000 0.510 110 M N -0.094 119.463 119.600 -0.071 0.000 2.475 110 M HA 0.250 4.730 4.480 -0.000 0.000 0.261 110 M C 0.290 176.566 176.300 -0.039 0.000 1.177 110 M CA 0.075 55.342 55.300 -0.055 0.000 0.979 110 M CB -0.988 31.578 32.600 -0.056 0.000 1.482 110 M HN 0.430 nan 8.290 nan 0.000 0.484 111 K N 0.310 120.688 120.400 -0.037 0.000 3.117 111 K HA -0.169 4.151 4.320 -0.000 0.000 0.269 111 K C -0.506 176.082 176.600 -0.019 0.000 1.098 111 K CA 0.656 56.927 56.287 -0.026 0.000 0.785 111 K CB -1.659 30.827 32.500 -0.023 0.000 1.242 111 K HN 0.391 nan 8.250 nan 0.000 0.491 112 M N 0.555 120.143 119.600 -0.020 0.000 2.436 112 M HA 0.202 4.682 4.480 -0.000 0.000 0.331 112 M C 0.707 177.005 176.300 -0.003 0.000 1.135 112 M CA -0.621 54.672 55.300 -0.011 0.000 0.987 112 M CB 1.963 34.555 32.600 -0.013 0.000 1.687 112 M HN 0.215 nan 8.290 nan 0.000 0.445 113 S N 1.561 117.264 115.700 0.005 0.000 2.624 113 S HA 0.413 4.883 4.470 -0.000 0.000 0.263 113 S C 1.253 175.868 174.600 0.025 0.000 1.287 113 S CA -0.028 58.179 58.200 0.012 0.000 0.990 113 S CB 1.122 64.329 63.200 0.013 0.000 0.950 113 S HN 0.797 nan 8.310 nan 0.000 0.561 114 K N 0.620 121.039 120.400 0.032 0.000 2.074 114 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 114 K C 2.058 178.697 176.600 0.065 0.000 1.048 114 K CA 2.208 58.527 56.287 0.053 0.000 0.926 114 K CB -1.694 30.832 32.500 0.044 0.000 0.713 114 K HN 0.917 nan 8.250 nan 0.000 0.444 115 E N 0.317 120.544 120.200 0.046 0.000 2.077 115 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 115 E C 2.067 178.698 176.600 0.052 0.000 0.989 115 E CA 1.472 57.900 56.400 0.047 0.000 0.800 115 E CB -0.057 29.662 29.700 0.031 0.000 0.746 115 E HN 0.768 nan 8.360 nan 0.000 0.452 116 E N 0.326 120.549 120.200 0.039 0.000 2.106 116 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 116 E C 2.246 178.867 176.600 0.036 0.000 0.984 116 E CA 1.013 57.431 56.400 0.030 0.000 0.806 116 E CB -0.046 29.664 29.700 0.016 0.000 0.750 116 E HN 0.407 nan 8.360 nan 0.000 0.458 117 I N 0.883 121.480 120.570 0.044 0.000 2.202 117 I HA -0.265 3.904 4.170 -0.000 0.000 0.242 117 I C 2.765 178.931 176.117 0.082 0.000 1.091 117 I CA 1.010 62.332 61.300 0.037 0.000 1.368 117 I CB -0.215 37.811 38.000 0.045 0.000 1.058 117 I HN 0.023 nan 8.210 nan 0.000 0.410 118 R N 1.599 122.209 120.500 0.183 0.000 2.083 118 R HA -0.244 4.096 4.340 -0.000 0.000 0.237 118 R C 2.602 179.021 176.300 0.198 0.000 1.137 118 R CA 2.450 58.733 56.100 0.305 0.000 0.951 118 R CB -0.307 30.131 30.300 0.231 0.000 0.851 118 R HN 0.253 nan 8.270 nan 0.000 0.434 119 K N 0.972 121.441 120.400 0.116 0.000 2.026 119 K HA -0.165 4.154 4.320 -0.000 0.000 0.208 119 K C 2.062 178.700 176.600 0.063 0.000 1.048 119 K CA 1.682 58.020 56.287 0.084 0.000 0.929 119 K CB -0.710 31.823 32.500 0.054 0.000 0.713 119 K HN 0.233 nan 8.250 nan 0.000 0.439 120 R N 0.486 121.008 120.500 0.036 0.000 2.073 120 R HA -0.033 4.306 4.340 -0.000 0.000 0.234 120 R C 2.232 178.529 176.300 -0.005 0.000 1.134 120 R CA 1.853 57.957 56.100 0.007 0.000 0.952 120 R CB -0.975 29.316 30.300 -0.015 0.000 0.850 120 R HN 0.257 nan 8.270 nan 0.000 0.433 121 V N 1.165 121.060 119.914 -0.032 0.000 2.343 121 V HA -0.203 3.916 4.120 -0.000 0.000 0.247 121 V C 2.097 178.216 176.094 0.041 0.000 1.051 121 V CA 2.209 64.453 62.300 -0.094 0.000 1.036 121 V CB -0.485 31.107 31.823 -0.386 0.000 0.654 121 V HN 0.424 nan 8.190 nan 0.000 0.451 122 E N -0.199 120.092 120.200 0.152 0.000 2.106 122 E HA -0.263 4.087 4.350 -0.000 0.000 0.192 122 E C 2.225 178.930 176.600 0.176 0.000 0.984 122 E CA 1.294 57.854 56.400 0.266 0.000 0.806 122 E CB -0.077 29.818 29.700 0.325 0.000 0.750 122 E HN 0.752 nan 8.360 nan 0.000 0.458 123 E N 0.998 121.251 120.200 0.088 0.000 2.051 123 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 123 E C 2.137 178.758 176.600 0.034 0.000 0.991 123 E CA 1.157 57.582 56.400 0.041 0.000 0.799 123 E CB 0.152 29.866 29.700 0.023 0.000 0.748 123 E HN 0.015 nan 8.360 nan 0.000 0.449 124 V N 1.303 121.233 119.914 0.027 0.000 2.427 124 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 124 V C 2.487 178.600 176.094 0.032 0.000 1.051 124 V CA 1.652 63.960 62.300 0.014 0.000 1.048 124 V CB -0.670 31.147 31.823 -0.010 0.000 0.666 124 V HN 0.468 nan 8.190 nan 0.000 0.456 125 A N -0.021 122.838 122.820 0.065 0.000 1.902 125 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 125 A C 2.293 179.955 177.584 0.130 0.000 1.181 125 A CA 1.895 53.994 52.037 0.103 0.000 0.623 125 A CB -0.393 18.701 19.000 0.157 0.000 0.818 125 A HN 0.551 nan 8.150 nan 0.000 0.443 126 K N -0.548 119.921 120.400 0.115 0.000 2.057 126 K HA -0.077 4.243 4.320 -0.000 0.000 0.207 126 K C 1.781 178.400 176.600 0.031 0.000 1.049 126 K CA 1.238 57.553 56.287 0.047 0.000 0.931 126 K CB -0.332 32.137 32.500 -0.053 0.000 0.714 126 K HN 0.343 nan 8.250 nan 0.000 0.440 127 I N 1.449 122.032 120.570 0.023 0.000 2.163 127 I HA -0.229 3.941 4.170 -0.000 0.000 0.243 127 I C 1.986 178.114 176.117 0.019 0.000 1.085 127 I CA 1.599 62.907 61.300 0.013 0.000 1.347 127 I CB -0.744 37.260 38.000 0.007 0.000 1.044 127 I HN 0.166 nan 8.210 nan 0.000 0.408 128 L N 0.015 121.254 121.223 0.027 0.000 2.612 128 L HA 0.012 4.352 4.340 -0.000 0.000 0.230 128 L C 0.316 177.215 176.870 0.048 0.000 1.140 128 L CA 0.054 54.910 54.840 0.026 0.000 0.896 128 L CB -0.474 41.593 42.059 0.013 0.000 1.065 128 L HN 0.235 nan 8.230 nan 0.000 0.447 129 D N 1.355 121.797 120.400 0.069 0.000 2.708 129 D HA -0.229 4.411 4.640 -0.000 0.000 0.236 129 D C 0.493 176.905 176.300 0.188 0.000 1.146 129 D CA 0.862 54.928 54.000 0.110 0.000 0.662 129 D CB -0.817 40.026 40.800 0.071 0.000 1.059 129 D HN 0.614 nan 8.370 nan 0.000 0.428 130 I N -3.733 116.931 120.570 0.155 0.000 3.817 130 I HA 0.225 4.395 4.170 -0.000 0.000 0.325 130 I C 1.552 177.713 176.117 0.072 0.000 1.550 130 I CA -0.873 60.463 61.300 0.060 0.000 1.100 130 I CB 0.201 38.184 38.000 -0.028 0.000 1.216 130 I HN 0.030 nan 8.210 nan 0.000 0.481 131 H N 3.423 122.570 119.070 0.128 0.000 2.421 131 H HA -0.191 4.365 4.556 -0.000 0.000 0.298 131 H C 1.749 177.143 175.328 0.109 0.000 1.087 131 H CA 2.211 58.322 56.048 0.106 0.000 1.330 131 H CB 0.050 29.874 29.762 0.103 0.000 1.388 131 H HN 0.699 nan 8.280 nan 0.000 0.526 132 H N 0.140 119.226 119.070 0.027 0.000 2.547 132 H HA 0.050 4.606 4.556 -0.000 0.000 0.266 132 H C 1.351 176.604 175.328 -0.125 0.000 0.988 132 H CA 0.958 56.991 56.048 -0.024 0.000 1.147 132 H CB -0.634 29.143 29.762 0.025 0.000 1.365 132 H HN 0.312 nan 8.280 nan 0.000 0.589 133 V N -2.096 117.497 119.914 -0.534 0.000 3.070 133 V HA 0.225 4.345 4.120 -0.000 0.000 0.345 133 V C 1.749 177.670 176.094 -0.289 0.000 1.403 133 V CA -0.350 61.541 62.300 -0.683 0.000 1.155 133 V CB -0.438 30.792 31.823 -0.988 0.000 1.140 133 V HN 0.135 nan 8.190 nan 0.000 0.505 134 L N 0.708 121.828 121.223 -0.170 0.000 2.261 134 L HA -0.059 4.281 4.340 -0.000 0.000 0.216 134 L C 2.012 178.864 176.870 -0.031 0.000 1.114 134 L CA 1.488 56.289 54.840 -0.066 0.000 0.777 134 L CB -0.289 41.738 42.059 -0.054 0.000 0.910 134 L HN 0.486 nan 8.230 nan 0.000 0.440 135 N N -2.071 116.627 118.700 -0.004 0.000 2.336 135 N HA 0.035 4.775 4.740 -0.000 0.000 0.189 135 N C 0.290 175.747 175.510 -0.089 0.000 1.113 135 N CA 0.202 53.219 53.050 -0.055 0.000 0.858 135 N CB 0.088 38.551 38.487 -0.039 0.000 0.970 135 N HN 0.430 nan 8.380 nan 0.000 0.471 136 H N -0.476 118.476 119.070 -0.195 0.000 2.551 136 H HA 0.139 4.695 4.556 -0.000 0.000 0.358 136 H C -0.245 174.943 175.328 -0.234 0.000 1.151 136 H CA -0.205 55.765 56.048 -0.131 0.000 1.374 136 H CB 0.704 30.437 29.762 -0.048 0.000 1.473 136 H HN -0.102 nan 8.280 nan 0.000 0.574 137 F N 1.186 121.202 119.950 0.111 0.000 2.377 137 F HA 0.157 4.684 4.527 -0.000 0.000 0.328 137 F C -1.240 174.612 175.800 0.087 0.000 1.094 137 F CA -2.358 55.689 58.000 0.079 0.000 1.093 137 F CB 0.596 39.620 39.000 0.040 0.000 1.214 137 F HN 0.406 nan 8.300 nan 0.000 0.518 138 P HA -0.276 nan 4.420 nan 0.000 0.217 138 P C 1.492 178.881 177.300 0.147 0.000 1.158 138 P CA 2.398 65.603 63.100 0.175 0.000 0.887 138 P CB -0.079 31.713 31.700 0.153 0.000 0.792 139 R N 0.511 121.092 120.500 0.135 0.000 2.096 139 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 139 R C 1.553 177.915 176.300 0.104 0.000 1.127 139 R CA 1.496 57.649 56.100 0.090 0.000 0.968 139 R CB -1.288 29.045 30.300 0.055 0.000 0.861 139 R HN 0.221 nan 8.270 nan 0.000 0.440 140 E N 1.189 121.482 120.200 0.156 0.000 2.505 140 E HA 0.045 4.394 4.350 -0.000 0.000 0.197 140 E C -0.007 176.704 176.600 0.186 0.000 1.111 140 E CA 0.266 56.761 56.400 0.159 0.000 0.887 140 E CB -0.072 29.730 29.700 0.171 0.000 0.913 140 E HN 0.412 nan 8.360 nan 0.000 0.517 141 L N 0.295 121.606 121.223 0.147 0.000 2.319 141 L HA 0.258 4.597 4.340 -0.000 0.000 0.267 141 L C 0.569 177.492 176.870 0.089 0.000 1.011 141 L CA -1.059 53.845 54.840 0.107 0.000 0.818 141 L CB 1.669 43.777 42.059 0.081 0.000 1.316 141 L HN -0.097 nan 8.230 nan 0.000 0.432 142 S N -0.217 115.523 115.700 0.067 0.000 2.603 142 S HA 0.205 4.675 4.470 -0.000 0.000 0.268 142 S C 1.251 175.901 174.600 0.083 0.000 1.317 142 S CA -0.155 58.085 58.200 0.068 0.000 1.012 142 S CB 1.309 64.541 63.200 0.054 0.000 0.926 142 S HN 0.826 nan 8.310 nan 0.000 0.539 143 G N 1.614 110.467 108.800 0.088 0.000 2.556 143 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.220 143 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.220 143 G C 1.367 176.336 174.900 0.116 0.000 1.156 143 G CA 0.911 46.080 45.100 0.116 0.000 0.766 143 G HN 1.083 nan 8.290 nan 0.000 0.583 144 G N -0.148 108.698 108.800 0.077 0.000 2.422 144 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.218 144 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.218 144 G C 1.829 176.757 174.900 0.047 0.000 1.146 144 G CA 1.104 46.237 45.100 0.056 0.000 0.769 144 G HN 0.541 nan 8.290 nan 0.000 0.547 145 Q N -0.524 119.303 119.800 0.044 0.000 2.167 145 Q HA -0.022 4.318 4.340 -0.000 0.000 0.202 145 Q C 3.123 179.151 176.000 0.046 0.000 0.970 145 Q CA 1.495 57.310 55.803 0.021 0.000 0.855 145 Q CB -0.334 28.395 28.738 -0.014 0.000 0.911 145 Q HN 0.642 nan 8.270 nan 0.000 0.438 146 Q N 0.969 120.831 119.800 0.104 0.000 2.061 146 Q HA -0.278 4.062 4.340 -0.000 0.000 0.204 146 Q C 1.801 177.867 176.000 0.110 0.000 0.984 146 Q CA 1.927 57.847 55.803 0.194 0.000 0.846 146 Q CB -0.703 nan 28.738 nan 0.000 0.902 146 Q HN 0.306 nan 8.270 nan 0.000 0.421 147 Q N -0.226 119.592 119.800 0.031 0.000 2.079 147 Q HA -0.039 4.301 4.340 -0.000 0.000 0.200 147 Q C 2.183 178.100 176.000 -0.138 0.000 0.974 147 Q CA 1.807 57.519 55.803 -0.152 0.000 0.840 147 Q CB -0.068 28.644 28.738 -0.043 0.000 0.898 147 Q HN 0.731 nan 8.270 nan 0.000 0.430 148 R N -1.146 119.325 120.500 -0.049 0.000 2.096 148 R HA -0.087 4.253 4.340 -0.000 0.000 0.235 148 R C 2.173 178.446 176.300 -0.045 0.000 1.127 148 R CA 1.388 57.465 56.100 -0.038 0.000 0.968 148 R CB -0.292 30.003 30.300 -0.008 0.000 0.861 148 R HN 0.140 nan 8.270 nan 0.000 0.440 149 V N 0.714 120.611 119.914 -0.028 0.000 2.358 149 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 149 V C 2.365 178.441 176.094 -0.031 0.000 1.047 149 V CA 1.933 64.226 62.300 -0.012 0.000 1.035 149 V CB -0.608 31.236 31.823 0.034 0.000 0.658 149 V HN 0.405 nan 8.190 nan 0.000 0.452 150 A N -0.443 122.325 122.820 -0.087 0.000 1.969 150 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 150 A C 2.127 179.610 177.584 -0.169 0.000 1.169 150 A CA 1.731 53.675 52.037 -0.155 0.000 0.635 150 A CB -0.465 18.221 19.000 -0.524 0.000 0.810 150 A HN 0.422 nan 8.150 nan 0.000 0.445 151 L N -0.413 120.710 121.223 -0.167 0.000 2.072 151 L HA 0.045 4.385 4.340 -0.000 0.000 0.205 151 L C 2.723 179.548 176.870 -0.075 0.000 1.079 151 L CA 1.887 56.655 54.840 -0.120 0.000 0.752 151 L CB -0.953 41.051 42.059 -0.092 0.000 0.906 151 L HN 0.344 nan 8.230 nan 0.000 0.436 152 A N -0.482 122.303 122.820 -0.058 0.000 1.908 152 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 152 A C 2.532 180.087 177.584 -0.048 0.000 1.181 152 A CA 1.849 53.861 52.037 -0.043 0.000 0.627 152 A CB -0.641 18.338 19.000 -0.034 0.000 0.818 152 A HN 0.472 nan 8.150 nan 0.000 0.445 153 R N -0.360 120.113 120.500 -0.045 0.000 2.091 153 R HA -0.122 4.218 4.340 -0.000 0.000 0.238 153 R C 2.195 178.471 176.300 -0.039 0.000 1.136 153 R CA 1.508 57.589 56.100 -0.032 0.000 0.959 153 R CB -0.399 29.903 30.300 0.004 0.000 0.856 153 R HN 0.435 nan 8.270 nan 0.000 0.437 154 A N 0.346 123.131 122.820 -0.058 0.000 2.067 154 A HA -0.028 4.292 4.320 -0.000 0.000 0.219 154 A C 1.861 179.414 177.584 -0.052 0.000 1.158 154 A CA 0.887 52.882 52.037 -0.069 0.000 0.661 154 A CB -0.093 18.847 19.000 -0.100 0.000 0.801 154 A HN 0.363 nan 8.150 nan 0.000 0.452 155 L N -1.222 119.973 121.223 -0.045 0.000 2.640 155 L HA 0.117 4.457 4.340 -0.000 0.000 0.230 155 L C 1.988 178.838 176.870 -0.032 0.000 1.123 155 L CA -0.039 54.781 54.840 -0.034 0.000 0.900 155 L CB 0.451 42.493 42.059 -0.029 0.000 1.146 155 L HN 0.229 nan 8.230 nan 0.000 0.484 156 V N 0.341 120.231 119.914 -0.040 0.000 2.626 156 V HA -0.195 3.925 4.120 -0.000 0.000 0.252 156 V C 1.825 177.895 176.094 -0.040 0.000 1.067 156 V CA 1.748 64.020 62.300 -0.045 0.000 1.081 156 V CB -0.122 31.662 31.823 -0.064 0.000 0.686 156 V HN 0.416 nan 8.190 nan 0.000 0.468 157 K N 0.098 120.477 120.400 -0.036 0.000 2.437 157 K HA 0.108 4.428 4.320 -0.000 0.000 0.198 157 K C 0.339 176.927 176.600 -0.020 0.000 1.024 157 K CA 0.510 56.779 56.287 -0.031 0.000 1.148 157 K CB 0.022 32.502 32.500 -0.034 0.000 0.860 157 K HN 0.429 nan 8.250 nan 0.000 0.515 158 D N 1.141 121.531 120.400 -0.017 0.000 2.746 158 D HA -0.100 4.540 4.640 -0.000 0.000 0.241 158 D C -2.598 173.701 176.300 -0.003 0.000 1.140 158 D CA 0.090 54.084 54.000 -0.009 0.000 0.707 158 D CB -0.113 40.683 40.800 -0.008 0.000 1.034 158 D HN 0.161 nan 8.370 nan 0.000 0.423 159 P HA 0.185 nan 4.420 nan 0.000 0.276 159 P C 0.323 177.633 177.300 0.016 0.000 1.244 159 P CA -0.390 62.716 63.100 0.011 0.000 0.801 159 P CB 1.189 32.893 31.700 0.006 0.000 1.006 160 S N 0.129 115.847 115.700 0.031 0.000 2.524 160 S HA 0.123 4.593 4.470 -0.000 0.000 0.216 160 S C 0.579 175.186 174.600 0.011 0.000 0.987 160 S CA 0.210 58.423 58.200 0.022 0.000 0.909 160 S CB -0.361 62.859 63.200 0.033 0.000 0.781 160 S HN 0.427 nan 8.310 nan 0.000 0.521 161 L N 1.292 122.530 121.223 0.025 0.000 2.470 161 L HA 0.680 5.020 4.340 -0.000 0.000 0.268 161 L C -1.661 175.225 176.870 0.026 0.000 0.964 161 L CA -0.805 54.044 54.840 0.014 0.000 0.839 161 L CB 1.763 43.826 42.059 0.006 0.000 1.276 161 L HN -0.001 nan 8.230 nan 0.000 0.403 162 L N 5.658 126.894 121.223 0.021 0.000 2.313 162 L HA 0.649 4.989 4.340 -0.000 0.000 0.283 162 L C -1.490 175.407 176.870 0.045 0.000 1.013 162 L CA -0.229 54.621 54.840 0.017 0.000 0.816 162 L CB 1.437 43.500 42.059 0.007 0.000 1.236 162 L HN 0.624 nan 8.230 nan 0.000 0.419 163 L N 6.669 127.924 121.223 0.053 0.000 2.298 163 L HA 0.518 4.858 4.340 -0.000 0.000 0.284 163 L C -0.987 175.979 176.870 0.160 0.000 1.013 163 L CA -0.495 54.433 54.840 0.145 0.000 0.824 163 L CB 1.426 43.636 42.059 0.252 0.000 1.221 163 L HN 0.495 nan 8.230 nan 0.000 0.418 164 L N 3.180 124.489 121.223 0.143 0.000 2.319 164 L HA 0.435 4.775 4.340 -0.000 0.000 0.281 164 L C -0.779 176.149 176.870 0.095 0.000 1.005 164 L CA -0.450 54.438 54.840 0.079 0.000 0.828 164 L CB 1.980 43.994 42.059 -0.076 0.000 1.227 164 L HN 0.469 nan 8.230 nan 0.000 0.415 165 D N 4.570 125.078 120.400 0.180 0.000 2.454 165 D HA 0.142 4.782 4.640 -0.000 0.000 0.225 165 D C 0.034 176.334 176.300 -0.001 0.000 1.081 165 D CA -0.206 53.819 54.000 0.042 0.000 0.864 165 D CB 0.649 41.373 40.800 -0.127 0.000 1.040 165 D HN 0.548 nan 8.370 nan 0.000 0.517 166 E N 2.721 122.868 120.200 -0.088 0.000 2.222 166 E HA -0.177 4.173 4.350 -0.000 0.000 0.189 166 E C -1.680 174.841 176.600 -0.131 0.000 1.415 166 E CA -0.006 56.317 56.400 -0.128 0.000 0.689 166 E CB -0.194 29.473 29.700 -0.055 0.000 1.107 166 E HN 0.501 nan 8.360 nan 0.000 0.350 167 P HA -0.129 nan 4.420 nan 0.000 0.225 167 P C 0.676 177.825 177.300 -0.252 0.000 1.156 167 P CA 1.131 63.989 63.100 -0.404 0.000 0.787 167 P CB 0.072 31.315 31.700 -0.762 0.000 0.802 168 F N -0.258 119.725 119.950 0.054 0.000 2.660 168 F HA 0.303 4.830 4.527 -0.000 0.000 0.302 168 F C 2.171 178.022 175.800 0.085 0.000 1.103 168 F CA -0.106 57.929 58.000 0.058 0.000 1.340 168 F CB -0.767 38.248 39.000 0.024 0.000 1.048 168 F HN -0.143 nan 8.300 nan 0.000 0.551 169 S N 1.071 116.897 115.700 0.210 0.000 3.079 169 S HA 0.100 4.570 4.470 -0.000 0.000 0.245 169 S C 0.827 175.544 174.600 0.196 0.000 1.013 169 S CA 0.798 59.108 58.200 0.183 0.000 1.117 169 S CB -1.701 nan 63.200 nan 0.000 0.851 169 S HN 0.529 nan 8.310 nan 0.000 0.523 170 N N -0.423 118.414 118.700 0.228 0.000 2.786 170 N HA 0.835 5.575 4.740 -0.000 0.000 0.315 170 N C 0.867 176.463 175.510 0.143 0.000 1.359 170 N CA -0.157 53.017 53.050 0.207 0.000 0.846 170 N CB -0.873 nan 38.487 nan 0.000 1.117 170 N HN 1.137 nan 8.380 nan 0.000 0.541 171 L N -0.896 120.401 121.223 0.123 0.000 2.496 171 L HA 0.392 4.732 4.340 -0.000 0.000 0.305 171 L C 1.172 178.081 176.870 0.065 0.000 1.305 171 L CA 0.689 55.578 54.840 0.082 0.000 0.830 171 L CB -1.956 nan 42.059 nan 0.000 1.067 171 L HN 1.319 nan 8.230 nan 0.000 0.569 172 D N 0.055 120.482 120.400 0.044 0.000 2.341 172 D HA 0.500 5.140 4.640 -0.000 0.000 0.233 172 D C 1.571 177.883 176.300 0.020 0.000 1.270 172 D CA 0.930 54.949 54.000 0.031 0.000 0.883 172 D CB 0.132 nan 40.800 nan 0.000 1.207 172 D HN 2.157 nan 8.370 nan 0.000 0.471 173 A N -0.202 122.625 122.820 0.010 0.000 2.194 173 A HA 0.163 4.483 4.320 -0.000 0.000 0.220 173 A C 2.587 180.157 177.584 -0.024 0.000 1.162 173 A CA 2.858 54.891 52.037 -0.008 0.000 0.674 173 A CB -0.920 18.073 19.000 -0.012 0.000 0.789 173 A HN 1.186 nan 8.150 nan 0.000 0.470 174 R N -0.824 119.667 120.500 -0.015 0.000 2.148 174 R HA 0.135 4.475 4.340 -0.000 0.000 0.227 174 R C 1.882 178.167 176.300 -0.026 0.000 1.103 174 R CA 1.868 57.956 56.100 -0.020 0.000 0.983 174 R CB -0.913 nan 30.300 nan 0.000 0.874 174 R HN 0.682 nan 8.270 nan 0.000 0.451 175 M N -1.127 118.460 119.600 -0.021 0.000 2.514 175 M HA 0.192 4.672 4.480 -0.000 0.000 0.258 175 M C 2.253 178.506 176.300 -0.079 0.000 1.159 175 M CA 0.290 55.573 55.300 -0.028 0.000 1.116 175 M CB 0.461 33.065 32.600 0.007 0.000 1.333 175 M HN 0.273 nan 8.290 nan 0.000 0.487 176 R N 0.968 121.413 120.500 -0.092 0.000 2.081 176 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 176 R C 2.048 178.169 176.300 -0.298 0.000 1.131 176 R CA 1.996 57.971 56.100 -0.208 0.000 0.960 176 R CB -1.109 29.121 30.300 -0.117 0.000 0.856 176 R HN 0.556 nan 8.270 nan 0.000 0.436 177 D N 0.154 120.449 120.400 -0.176 0.000 2.116 177 D HA -0.212 4.428 4.640 -0.000 0.000 0.193 177 D C 1.819 178.020 176.300 -0.165 0.000 0.998 177 D CA 1.710 55.617 54.000 -0.156 0.000 0.836 177 D CB -0.613 nan 40.800 nan 0.000 0.951 177 D HN 0.238 nan 8.370 nan 0.000 0.449 178 S N -0.857 114.763 115.700 -0.133 0.000 2.383 178 S HA 0.138 4.608 4.470 -0.000 0.000 0.227 178 S C 2.451 176.969 174.600 -0.138 0.000 1.026 178 S CA 1.679 59.815 58.200 -0.105 0.000 0.981 178 S CB -0.420 62.742 63.200 -0.063 0.000 0.818 178 S HN 0.743 nan 8.310 nan 0.000 0.472 179 A N 1.579 124.272 122.820 -0.212 0.000 1.902 179 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 179 A C 2.218 179.585 177.584 -0.363 0.000 1.181 179 A CA 1.411 53.300 52.037 -0.247 0.000 0.623 179 A CB -0.574 18.248 19.000 -0.298 0.000 0.818 179 A HN 0.592 nan 8.150 nan 0.000 0.443 180 R N -0.530 119.618 120.500 -0.588 0.000 2.081 180 R HA -0.066 4.274 4.340 -0.000 0.000 0.235 180 R C 2.508 178.728 176.300 -0.134 0.000 1.131 180 R CA 1.247 57.099 56.100 -0.413 0.000 0.960 180 R CB -0.479 29.601 30.300 -0.366 0.000 0.856 180 R HN 0.512 nan 8.270 nan 0.000 0.436 181 A N 1.157 123.903 122.820 -0.124 0.000 1.883 181 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 181 A C 2.083 179.648 177.584 -0.033 0.000 1.186 181 A CA 1.229 53.229 52.037 -0.061 0.000 0.624 181 A CB -0.564 18.401 19.000 -0.058 0.000 0.822 181 A HN 0.252 nan 8.150 nan 0.000 0.444 182 L N -0.046 121.156 121.223 -0.035 0.000 2.042 182 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 182 L C 2.407 179.288 176.870 0.017 0.000 1.076 182 L CA 1.913 56.748 54.840 -0.007 0.000 0.749 182 L CB -0.502 41.554 42.059 -0.005 0.000 0.893 182 L HN 0.163 nan 8.230 nan 0.000 0.432 183 V N -0.189 119.754 119.914 0.048 0.000 2.287 183 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 183 V C 2.596 178.720 176.094 0.050 0.000 1.053 183 V CA 2.138 64.485 62.300 0.078 0.000 1.027 183 V CB -0.705 31.223 31.823 0.176 0.000 0.646 183 V HN 0.474 nan 8.190 nan 0.000 0.447 184 K N -0.266 120.158 120.400 0.039 0.000 2.097 184 K HA -0.237 4.083 4.320 -0.000 0.000 0.206 184 K C 2.216 178.825 176.600 0.015 0.000 1.049 184 K CA 1.706 58.008 56.287 0.026 0.000 0.933 184 K CB -0.166 32.343 32.500 0.015 0.000 0.717 184 K HN 0.612 nan 8.250 nan 0.000 0.442 185 E N 0.974 121.179 120.200 0.009 0.000 2.047 185 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 185 E C 1.935 178.538 176.600 0.006 0.000 0.987 185 E CA 1.137 57.540 56.400 0.004 0.000 0.799 185 E CB 0.169 29.869 29.700 -0.001 0.000 0.752 185 E HN 0.006 nan 8.360 nan 0.000 0.449 186 V N 1.646 121.565 119.914 0.009 0.000 2.358 186 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 186 V C 2.645 178.744 176.094 0.008 0.000 1.047 186 V CA 1.940 64.244 62.300 0.007 0.000 1.035 186 V CB -0.665 31.162 31.823 0.006 0.000 0.658 186 V HN 0.383 nan 8.190 nan 0.000 0.452 187 Q N 1.005 120.813 119.800 0.014 0.000 2.084 187 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 187 Q C 2.497 178.503 176.000 0.010 0.000 0.978 187 Q CA 2.472 58.284 55.803 0.014 0.000 0.844 187 Q CB -0.280 28.471 28.738 0.023 0.000 0.898 187 Q HN 0.784 nan 8.270 nan 0.000 0.426 188 S N 0.099 115.804 115.700 0.009 0.000 2.402 188 S HA -0.163 4.307 4.470 -0.000 0.000 0.229 188 S C 2.033 176.635 174.600 0.004 0.000 1.021 188 S CA 1.121 59.325 58.200 0.006 0.000 0.974 188 S CB -0.418 62.785 63.200 0.005 0.000 0.800 188 S HN 0.435 nan 8.310 nan 0.000 0.484 189 R N 0.981 121.483 120.500 0.003 0.000 2.073 189 R HA 0.162 4.502 4.340 -0.000 0.000 0.229 189 R C 2.068 178.369 176.300 0.001 0.000 1.120 189 R CA 1.259 57.359 56.100 0.001 0.000 0.967 189 R CB -0.283 30.017 30.300 0.000 0.000 0.862 189 R HN 0.467 nan 8.270 nan 0.000 0.436 190 L N -0.809 120.415 121.223 0.002 0.000 2.416 190 L HA 0.275 4.615 4.340 -0.000 0.000 0.216 190 L C 1.298 178.169 176.870 0.002 0.000 1.098 190 L CA 0.524 55.364 54.840 0.001 0.000 0.840 190 L CB 0.237 42.296 42.059 0.000 0.000 0.981 190 L HN 0.621 nan 8.230 nan 0.000 0.462 191 G N 1.005 109.807 108.800 0.003 0.000 2.155 191 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.257 191 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.257 191 G C 0.466 175.367 174.900 0.002 0.000 0.983 191 G CA 0.322 45.424 45.100 0.003 0.000 0.676 191 G HN 0.258 nan 8.290 nan 0.000 0.528 192 V N -1.367 118.549 119.914 0.003 0.000 2.872 192 V HA 0.591 4.711 4.120 -0.000 0.000 0.307 192 V C 0.984 177.080 176.094 0.003 0.000 1.072 192 V CA 0.339 62.640 62.300 0.002 0.000 1.148 192 V CB 0.648 32.474 31.823 0.004 0.000 0.954 192 V HN 0.372 nan 8.190 nan 0.000 0.490 193 T N 5.673 120.222 114.554 -0.008 0.000 2.930 193 T HA 0.458 4.808 4.350 -0.000 0.000 0.306 193 T C -0.274 174.432 174.700 0.010 0.000 1.045 193 T CA 0.085 62.178 62.100 -0.011 0.000 1.134 193 T CB 0.548 69.382 68.868 -0.056 0.000 0.961 193 T HN 0.816 nan 8.240 nan 0.000 0.545 194 L N 4.060 125.307 121.223 0.040 0.000 2.410 194 L HA 0.675 5.015 4.340 -0.000 0.000 0.270 194 L C -1.523 175.415 176.870 0.113 0.000 0.983 194 L CA -0.843 54.034 54.840 0.063 0.000 0.822 194 L CB 1.344 43.437 42.059 0.057 0.000 1.285 194 L HN 0.544 nan 8.230 nan 0.000 0.409 195 L N 5.958 127.257 121.223 0.125 0.000 2.349 195 L HA 0.683 5.023 4.340 -0.000 0.000 0.278 195 L C -1.244 175.718 176.870 0.152 0.000 0.996 195 L CA -0.700 54.257 54.840 0.194 0.000 0.825 195 L CB 1.969 44.159 42.059 0.218 0.000 1.243 195 L HN 0.433 nan 8.230 nan 0.000 0.412 196 V N 4.545 124.536 119.914 0.129 0.000 2.588 196 V HA 0.515 4.635 4.120 -0.000 0.000 0.304 196 V C -0.244 175.882 176.094 0.054 0.000 1.042 196 V CA -0.863 61.476 62.300 0.065 0.000 0.877 196 V CB 1.864 33.701 31.823 0.023 0.000 0.996 196 V HN 0.488 nan 8.190 nan 0.000 0.425 197 V N 1.071 121.007 119.914 0.036 0.000 2.555 197 V HA 1.011 5.131 4.120 -0.000 0.000 0.302 197 V C -0.284 175.789 176.094 -0.035 0.000 1.038 197 V CA -0.191 62.123 62.300 0.023 0.000 0.887 197 V CB 1.492 33.350 31.823 0.059 0.000 0.991 197 V HN 1.072 nan 8.190 nan 0.000 0.434 198 S N 1.590 117.264 115.700 -0.043 0.000 2.567 198 S HA 0.459 4.929 4.470 -0.000 0.000 0.270 198 S C 0.055 174.619 174.600 -0.060 0.000 1.152 198 S CA -0.067 58.062 58.200 -0.117 0.000 0.835 198 S CB 1.585 64.707 63.200 -0.130 0.000 1.115 198 S HN 1.222 nan 8.310 nan 0.000 0.459 199 H N 0.913 120.005 119.070 0.036 0.000 2.551 199 H HA 0.287 4.843 4.556 -0.000 0.000 0.271 199 H C -0.255 175.105 175.328 0.054 0.000 0.984 199 H CA -0.021 56.049 56.048 0.037 0.000 1.164 199 H CB 0.029 29.810 29.762 0.031 0.000 1.437 199 H HN 0.521 nan 8.280 nan 0.000 0.550 200 D N 2.612 122.990 120.400 -0.035 0.000 2.414 200 D HA 0.148 4.788 4.640 -0.000 0.000 0.232 200 D C -1.482 174.870 176.300 0.087 0.000 1.070 200 D CA -2.374 51.669 54.000 0.071 0.000 0.839 200 D CB 2.049 42.866 40.800 0.028 0.000 1.079 200 D HN -0.094 nan 8.370 nan 0.000 0.521 201 P HA -0.155 nan 4.420 nan 0.000 0.222 201 P C 1.097 178.535 177.300 0.231 0.000 1.147 201 P CA 0.664 63.878 63.100 0.191 0.000 0.790 201 P CB 0.197 32.039 31.700 0.236 0.000 0.780 202 A N 0.922 123.834 122.820 0.153 0.000 1.940 202 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 202 A C 1.996 179.667 177.584 0.145 0.000 1.176 202 A CA 1.896 54.006 52.037 0.122 0.000 0.631 202 A CB -1.136 17.901 19.000 0.062 0.000 0.814 202 A HN 0.106 nan 8.150 nan 0.000 0.446 203 D N -0.302 120.187 120.400 0.149 0.000 2.178 203 D HA -0.092 4.548 4.640 -0.000 0.000 0.202 203 D C 1.676 178.060 176.300 0.139 0.000 0.974 203 D CA 0.930 55.042 54.000 0.186 0.000 0.841 203 D CB -0.239 40.697 40.800 0.226 0.000 0.953 203 D HN 0.371 nan 8.370 nan 0.000 0.478 204 I N 0.319 120.954 120.570 0.107 0.000 2.202 204 I HA -0.176 3.994 4.170 -0.000 0.000 0.242 204 I C 2.135 178.233 176.117 -0.031 0.000 1.091 204 I CA 0.746 62.051 61.300 0.008 0.000 1.368 204 I CB -0.711 37.262 38.000 -0.044 0.000 1.058 204 I HN -0.116 nan 8.210 nan 0.000 0.410 205 F N 0.546 120.482 119.950 -0.023 0.000 2.216 205 F HA -0.226 4.301 4.527 -0.000 0.000 0.300 205 F C 2.399 178.178 175.800 -0.035 0.000 1.085 205 F CA 1.399 59.374 58.000 -0.042 0.000 1.326 205 F CB -0.558 38.405 39.000 -0.062 0.000 1.027 205 F HN 0.041 nan 8.300 nan 0.000 0.497 206 A N -0.071 122.839 122.820 0.150 0.000 1.855 206 A HA -0.041 4.279 4.320 -0.000 0.000 0.213 206 A C 2.097 179.709 177.584 0.046 0.000 1.195 206 A CA 1.609 53.693 52.037 0.077 0.000 0.610 206 A CB -0.707 18.323 19.000 0.049 0.000 0.837 206 A HN 0.342 nan 8.150 nan 0.000 0.444 207 I N -0.861 119.740 120.570 0.052 0.000 2.927 207 I HA 0.167 4.337 4.170 -0.000 0.000 0.268 207 I C 1.266 177.384 176.117 0.003 0.000 1.153 207 I CA 0.403 61.730 61.300 0.044 0.000 1.459 207 I CB 0.012 38.068 38.000 0.094 0.000 1.149 207 I HN 0.229 nan 8.210 nan 0.000 0.443 208 A N 0.903 123.698 122.820 -0.043 0.000 2.331 208 A HA 0.219 4.539 4.320 -0.000 0.000 0.283 208 A C 0.153 177.662 177.584 -0.126 0.000 1.142 208 A CA -0.316 51.663 52.037 -0.097 0.000 0.812 208 A CB 0.326 19.220 19.000 -0.177 0.000 1.074 208 A HN 0.130 nan 8.150 nan 0.000 0.497 209 D N 0.205 120.549 120.400 -0.093 0.000 2.327 209 D HA 0.098 4.738 4.640 -0.000 0.000 0.205 209 D C 0.639 176.870 176.300 -0.115 0.000 0.989 209 D CA 0.931 54.881 54.000 -0.084 0.000 0.873 209 D CB 0.341 41.125 40.800 -0.028 0.000 0.955 209 D HN 0.594 nan 8.370 nan 0.000 0.515 210 R N 0.350 120.752 120.500 -0.164 0.000 2.604 210 R HA 0.509 4.849 4.340 -0.000 0.000 0.281 210 R C -1.926 174.008 176.300 -0.610 0.000 1.020 210 R CA -0.587 55.374 56.100 -0.231 0.000 0.899 210 R CB 2.497 32.789 30.300 -0.013 0.000 1.205 210 R HN -0.134 nan 8.270 nan 0.000 0.450 211 V N 2.836 122.411 119.914 -0.565 0.000 2.789 211 V HA 0.876 4.996 4.120 -0.000 0.000 0.311 211 V C -0.805 174.996 176.094 -0.488 0.000 1.073 211 V CA -0.299 61.596 62.300 -0.674 0.000 0.921 211 V CB 1.960 33.549 31.823 -0.390 0.000 1.009 211 V HN 0.876 nan 8.190 nan 0.000 0.426 212 G N 4.343 112.870 108.800 -0.454 0.000 2.415 212 G HA2 0.611 4.571 3.960 -0.000 0.000 0.327 212 G HA3 0.611 4.571 3.960 -0.000 0.000 0.327 212 G C -1.274 173.565 174.900 -0.102 0.000 1.182 212 G CA -0.534 44.499 45.100 -0.112 0.000 0.924 212 G HN 0.896 nan 8.290 nan 0.000 0.470 213 V N 2.757 122.634 119.914 -0.061 0.000 2.398 213 V HA 0.412 4.532 4.120 -0.000 0.000 0.286 213 V C -0.444 175.624 176.094 -0.043 0.000 1.026 213 V CA -0.750 61.521 62.300 -0.049 0.000 0.868 213 V CB 1.303 33.106 31.823 -0.033 0.000 0.982 213 V HN 0.577 nan 8.190 nan 0.000 0.443 214 L N 6.377 127.573 121.223 -0.044 0.000 2.313 214 L HA 0.726 5.066 4.340 -0.000 0.000 0.283 214 L C -0.535 176.324 176.870 -0.018 0.000 1.013 214 L CA 0.034 54.850 54.840 -0.041 0.000 0.816 214 L CB 1.851 43.875 42.059 -0.059 0.000 1.236 214 L HN 0.472 nan 8.230 nan 0.000 0.419 215 V N 4.370 124.275 119.914 -0.014 0.000 2.524 215 V HA 0.480 4.600 4.120 -0.000 0.000 0.297 215 V C 0.284 176.378 176.094 -0.001 0.000 1.035 215 V CA -0.575 61.720 62.300 -0.008 0.000 0.867 215 V CB 1.107 32.920 31.823 -0.016 0.000 1.004 215 V HN 0.746 nan 8.190 nan 0.000 0.426 216 K N 2.735 123.140 120.400 0.008 0.000 3.148 216 K HA -0.071 4.248 4.320 -0.000 0.000 0.267 216 K C 1.539 178.153 176.600 0.022 0.000 0.996 216 K CA 1.711 58.008 56.287 0.016 0.000 0.737 216 K CB -2.147 30.359 32.500 0.010 0.000 1.308 216 K HN 2.720 nan 8.250 nan 0.000 0.470 217 G N -1.856 106.961 108.800 0.027 0.000 2.205 217 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.261 217 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.261 217 G C 0.218 175.130 174.900 0.019 0.000 0.980 217 G CA 0.874 45.996 45.100 0.035 0.000 0.632 217 G HN 1.081 nan 8.290 nan 0.000 0.533 218 K N -0.303 120.101 120.400 0.006 0.000 2.164 218 K HA 0.610 4.930 4.320 -0.000 0.000 0.258 218 K C -0.677 175.914 176.600 -0.015 0.000 0.951 218 K CA -1.065 55.221 56.287 -0.000 0.000 0.844 218 K CB 2.135 34.636 32.500 0.001 0.000 1.099 218 K HN 0.053 nan 8.250 nan 0.000 0.435 219 L N 4.765 125.977 121.223 -0.017 0.000 2.312 219 L HA 0.045 4.385 4.340 -0.000 0.000 0.287 219 L C 0.728 177.593 176.870 -0.009 0.000 1.091 219 L CA 0.189 55.015 54.840 -0.024 0.000 0.846 219 L CB 0.768 42.813 42.059 -0.023 0.000 1.219 219 L HN 0.600 nan 8.230 nan 0.000 0.439 220 V N 1.655 121.561 119.914 -0.013 0.000 3.235 220 V HA 0.228 4.347 4.120 -0.000 0.000 0.259 220 V C 0.512 176.604 176.094 -0.003 0.000 1.133 220 V CA 0.444 62.738 62.300 -0.010 0.000 1.128 220 V CB -0.558 31.253 31.823 -0.019 0.000 0.757 220 V HN 0.844 nan 8.190 nan 0.000 0.469 221 Q N -0.612 119.186 119.800 -0.003 0.000 2.438 221 Q HA 0.632 4.972 4.340 -0.000 0.000 0.272 221 Q C -2.307 173.694 176.000 0.002 0.000 0.994 221 Q CA -0.448 55.357 55.803 0.003 0.000 0.887 221 Q CB 2.920 31.659 28.738 0.002 0.000 1.432 221 Q HN 0.154 nan 8.270 nan 0.000 0.392 222 V N 1.738 121.660 119.914 0.013 0.000 2.760 222 V HA 1.001 5.121 4.120 -0.000 0.000 0.309 222 V C 0.044 176.140 176.094 0.003 0.000 1.077 222 V CA 0.236 62.548 62.300 0.020 0.000 0.910 222 V CB 1.737 33.614 31.823 0.090 0.000 1.008 222 V HN 0.964 nan 8.190 nan 0.000 0.424 223 G N 3.075 111.852 108.800 -0.038 0.000 2.321 223 G HA2 0.351 4.311 3.960 -0.000 0.000 0.296 223 G HA3 0.351 4.311 3.960 -0.000 0.000 0.296 223 G C -1.601 173.244 174.900 -0.092 0.000 1.287 223 G CA -1.020 44.057 45.100 -0.038 0.000 0.846 223 G HN 0.563 nan 8.290 nan 0.000 0.508 224 K N 0.811 121.165 120.400 -0.077 0.000 2.258 224 K HA 0.267 4.587 4.320 -0.000 0.000 0.264 224 K C -1.606 174.892 176.600 -0.170 0.000 1.007 224 K CA -1.195 55.020 56.287 -0.120 0.000 0.941 224 K CB 1.409 33.864 32.500 -0.076 0.000 0.966 224 K HN 0.060 nan 8.250 nan 0.000 0.480 225 P HA -0.261 nan 4.420 nan 0.000 0.216 225 P C 1.016 178.158 177.300 -0.263 0.000 1.153 225 P CA 1.336 64.117 63.100 -0.531 0.000 0.858 225 P CB 0.180 31.189 31.700 -1.153 0.000 0.789 226 E N -0.286 119.847 120.200 -0.112 0.000 2.153 226 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 226 E C 1.222 177.908 176.600 0.143 0.000 0.988 226 E CA 1.392 57.866 56.400 0.124 0.000 0.811 226 E CB -0.483 29.268 29.700 0.085 0.000 0.746 226 E HN 0.112 nan 8.360 nan 0.000 0.466 227 D N 0.418 120.850 120.400 0.054 0.000 2.117 227 D HA -0.098 4.542 4.640 -0.000 0.000 0.198 227 D C 2.022 178.368 176.300 0.077 0.000 0.982 227 D CA 0.845 54.879 54.000 0.056 0.000 0.828 227 D CB -0.098 40.712 40.800 0.017 0.000 0.967 227 D HN 0.253 nan 8.370 nan 0.000 0.464 228 L N -0.578 120.682 121.223 0.063 0.000 2.093 228 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 228 L C 2.261 179.226 176.870 0.160 0.000 1.085 228 L CA 0.840 55.727 54.840 0.078 0.000 0.755 228 L CB -0.374 41.705 42.059 0.032 0.000 0.904 228 L HN 0.074 nan 8.230 nan 0.000 0.435 229 Y N 0.816 121.183 120.300 0.111 0.000 2.200 229 Y HA -0.241 4.309 4.550 -0.000 0.000 0.290 229 Y C 2.230 178.197 175.900 0.111 0.000 1.137 229 Y CA 1.750 59.951 58.100 0.167 0.000 1.163 229 Y CB 0.082 38.724 38.460 0.304 0.000 0.988 229 Y HN 0.179 nan 8.280 nan 0.000 0.518 230 D N -0.953 119.579 120.400 0.220 0.000 2.271 230 D HA -0.010 4.630 4.640 -0.000 0.000 0.206 230 D C -0.044 176.285 176.300 0.048 0.000 0.967 230 D CA 0.762 54.828 54.000 0.109 0.000 0.867 230 D CB -0.008 40.874 40.800 0.137 0.000 0.960 230 D HN 0.325 nan 8.370 nan 0.000 0.509 231 N N 1.540 120.279 118.700 0.065 0.000 2.679 231 N HA 0.168 4.908 4.740 -0.000 0.000 0.302 231 N C -2.669 172.890 175.510 0.081 0.000 1.941 231 N CA -0.841 52.241 53.050 0.053 0.000 0.875 231 N CB 1.938 40.449 38.487 0.041 0.000 1.278 231 N HN 0.109 nan 8.380 nan 0.000 0.490 232 P HA 0.007 nan 4.420 nan 0.000 0.271 232 P C 1.165 178.588 177.300 0.205 0.000 1.216 232 P CA -0.178 62.997 63.100 0.126 0.000 0.776 232 P CB 1.978 33.748 31.700 0.118 0.000 0.881 233 V N 1.623 121.607 119.914 0.116 0.000 2.871 233 V HA -0.043 4.077 4.120 -0.000 0.000 0.256 233 V C 0.920 177.064 176.094 0.084 0.000 1.082 233 V CA 2.087 64.465 62.300 0.130 0.000 1.105 233 V CB -0.284 31.568 31.823 0.049 0.000 0.713 233 V HN 0.894 nan 8.190 nan 0.000 0.473 234 S N -2.008 113.570 115.700 -0.203 0.000 2.638 234 S HA 0.369 4.839 4.470 -0.000 0.000 0.274 234 S C 0.185 174.169 174.600 -1.028 0.000 1.157 234 S CA -0.065 57.665 58.200 -0.783 0.000 0.826 234 S CB 1.333 64.300 63.200 -0.389 0.000 1.139 234 S HN -0.023 nan 8.310 nan 0.000 0.474 235 I N 1.376 121.216 120.570 -1.218 0.000 2.493 235 I HA -0.047 4.123 4.170 -0.000 0.000 0.254 235 I C 2.569 178.523 176.117 -0.270 0.000 1.160 235 I CA 1.692 62.637 61.300 -0.591 0.000 1.445 235 I CB -0.605 37.184 38.000 -0.351 0.000 1.086 235 I HN 0.926 nan 8.210 nan 0.000 0.433 236 Q N -0.259 119.391 119.800 -0.250 0.000 2.046 236 Q HA -0.164 4.176 4.340 -0.000 0.000 0.200 236 Q C 2.147 178.093 176.000 -0.090 0.000 0.975 236 Q CA 2.475 58.200 55.803 -0.130 0.000 0.836 236 Q CB -0.171 28.502 28.738 -0.109 0.000 0.896 236 Q HN 0.368 nan 8.270 nan 0.000 0.428 237 V N 1.338 121.188 119.914 -0.107 0.000 2.332 237 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 237 V C 2.469 178.550 176.094 -0.022 0.000 1.055 237 V CA 1.780 64.051 62.300 -0.049 0.000 1.038 237 V CB -1.311 30.487 31.823 -0.041 0.000 0.651 237 V HN 0.579 nan 8.190 nan 0.000 0.450 238 A N 0.998 123.791 122.820 -0.046 0.000 1.892 238 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 238 A C 2.534 180.108 177.584 -0.017 0.000 1.188 238 A CA 2.846 54.869 52.037 -0.024 0.000 0.631 238 A CB -0.914 18.088 19.000 0.003 0.000 0.822 238 A HN 0.717 nan 8.150 nan 0.000 0.447 239 S N -0.398 115.296 115.700 -0.010 0.000 2.428 239 S HA 0.013 4.483 4.470 -0.000 0.000 0.230 239 S C 1.845 176.476 174.600 0.052 0.000 1.014 239 S CA 1.184 59.398 58.200 0.023 0.000 0.957 239 S CB -0.596 62.614 63.200 0.017 0.000 0.784 239 S HN 0.429 nan 8.310 nan 0.000 0.499 240 L N 0.120 121.369 121.223 0.042 0.000 2.083 240 L HA 0.076 4.416 4.340 -0.000 0.000 0.209 240 L C 2.408 179.346 176.870 0.112 0.000 1.083 240 L CA 1.093 55.972 54.840 0.066 0.000 0.752 240 L CB -0.302 41.782 42.059 0.043 0.000 0.899 240 L HN 0.341 nan 8.230 nan 0.000 0.433 241 I N -0.867 119.784 120.570 0.135 0.000 3.578 241 I HA 0.224 4.394 4.170 -0.000 0.000 0.295 241 I C 0.684 176.999 176.117 0.331 0.000 1.280 241 I CA 0.229 61.680 61.300 0.252 0.000 1.347 241 I CB 0.147 38.324 38.000 0.295 0.000 1.051 241 I HN 0.084 nan 8.210 nan 0.000 0.460 242 G N -0.022 108.906 108.800 0.213 0.000 2.355 242 G HA2 0.235 4.195 3.960 -0.000 0.000 0.296 242 G HA3 0.235 4.195 3.960 -0.000 0.000 0.296 242 G C -1.488 173.498 174.900 0.143 0.000 1.507 242 G CA -0.822 44.419 45.100 0.235 0.000 0.823 242 G HN 0.269 nan 8.290 nan 0.000 0.569 243 E N -0.427 119.881 120.200 0.180 0.000 2.413 243 E HA 0.536 4.886 4.350 -0.000 0.000 0.263 243 E C -0.340 176.329 176.600 0.115 0.000 1.015 243 E CA -0.193 56.329 56.400 0.204 0.000 0.916 243 E CB 2.040 31.951 29.700 0.352 0.000 0.947 243 E HN 0.558 nan 8.360 nan 0.000 0.440 244 I N 1.278 121.903 120.570 0.092 0.000 2.841 244 I HA 0.184 4.354 4.170 -0.000 0.000 0.298 244 I C -1.402 174.681 176.117 -0.055 0.000 1.304 244 I CA -0.896 60.386 61.300 -0.030 0.000 1.019 244 I CB 2.196 40.171 38.000 -0.041 0.000 1.282 244 I HN 0.500 nan 8.210 nan 0.000 0.432 245 N N 5.761 124.352 118.700 -0.182 0.000 2.472 245 N HA 0.263 5.003 4.740 -0.000 0.000 0.277 245 N C -1.339 174.128 175.510 -0.071 0.000 1.081 245 N CA -0.189 52.767 53.050 -0.157 0.000 0.973 245 N CB 1.163 39.501 38.487 -0.249 0.000 1.105 245 N HN 0.512 nan 8.380 nan 0.000 0.470 246 E N 2.416 122.605 120.200 -0.019 0.000 2.145 246 E HA 0.415 4.765 4.350 -0.000 0.000 0.270 246 E C -0.531 176.058 176.600 -0.019 0.000 0.906 246 E CA -0.711 55.681 56.400 -0.015 0.000 0.761 246 E CB 1.690 31.395 29.700 0.007 0.000 1.116 246 E HN 0.199 nan 8.360 nan 0.000 0.408 247 L N 1.496 122.688 121.223 -0.052 0.000 2.323 247 L HA 0.670 5.010 4.340 -0.000 0.000 0.265 247 L C 0.272 177.121 176.870 -0.034 0.000 1.012 247 L CA -0.843 53.971 54.840 -0.044 0.000 0.820 247 L CB 1.240 43.248 42.059 -0.084 0.000 1.334 247 L HN 0.740 nan 8.230 nan 0.000 0.427 248 E N -0.304 119.892 120.200 -0.007 0.000 2.234 248 E HA 0.770 5.120 4.350 -0.000 0.000 0.266 248 E C -0.373 176.237 176.600 0.017 0.000 0.877 248 E CA -0.194 56.208 56.400 0.004 0.000 0.758 248 E CB 2.200 31.907 29.700 0.012 0.000 1.170 248 E HN 0.952 nan 8.360 nan 0.000 0.415 249 G N -0.775 108.037 108.800 0.020 0.000 2.749 249 G HA2 0.827 4.787 3.960 -0.000 0.000 0.300 249 G HA3 0.827 4.787 3.960 -0.000 0.000 0.300 249 G C -0.621 174.298 174.900 0.032 0.000 1.352 249 G CA 0.185 45.307 45.100 0.038 0.000 0.789 249 G HN 0.977 nan 8.290 nan 0.000 0.509 250 K N -0.464 119.958 120.400 0.037 0.000 2.156 250 K HA 0.794 5.114 4.320 -0.000 0.000 0.254 250 K C -0.328 176.291 176.600 0.031 0.000 0.950 250 K CA -0.645 55.659 56.287 0.029 0.000 0.849 250 K CB 1.670 nan 32.500 nan 0.000 1.100 250 K HN 0.904 nan 8.250 nan 0.000 0.434 251 V N 2.579 122.508 119.914 0.023 0.000 2.546 251 V HA 0.594 4.714 4.120 -0.000 0.000 0.284 251 V C 0.880 176.985 176.094 0.019 0.000 1.050 251 V CA 0.264 62.577 62.300 0.022 0.000 0.981 251 V CB 1.090 32.922 31.823 0.015 0.000 0.990 251 V HN 1.162 nan 8.190 nan 0.000 0.474 252 T N 0.667 115.232 114.554 0.019 0.000 2.804 252 T HA 0.430 4.780 4.350 -0.000 0.000 0.290 252 T C 1.130 175.837 174.700 0.011 0.000 1.099 252 T CA 0.084 62.192 62.100 0.014 0.000 1.011 252 T CB 1.175 70.051 68.868 0.013 0.000 1.291 252 T HN 0.597 nan 8.240 nan 0.000 0.523 253 N N 0.149 118.854 118.700 0.007 0.000 2.027 253 N HA -0.009 4.731 4.740 -0.000 0.000 0.200 253 N C 1.459 176.972 175.510 0.005 0.000 1.042 253 N CA 2.424 55.477 53.050 0.005 0.000 0.871 253 N CB -1.585 nan 38.487 nan 0.000 1.063 253 N HN 1.284 nan 8.380 nan 0.000 0.438 254 E N -0.381 119.821 120.200 0.005 0.000 3.012 254 E HA 0.548 4.898 4.350 -0.000 0.000 0.228 254 E C 0.656 177.262 176.600 0.011 0.000 1.184 254 E CA 0.021 56.424 56.400 0.005 0.000 1.407 254 E CB -0.790 nan 29.700 nan 0.000 1.438 254 E HN 1.839 nan 8.360 nan 0.000 0.435 255 G N -0.929 107.883 108.800 0.021 0.000 2.381 255 G HA2 0.133 4.093 3.960 -0.000 0.000 0.672 255 G HA3 0.133 4.093 3.960 -0.000 0.000 0.672 255 G C -0.678 174.256 174.900 0.058 0.000 1.324 255 G CA -0.324 44.802 45.100 0.044 0.000 0.975 255 G HN 0.828 nan 8.290 nan 0.000 0.593 256 V N 0.188 120.165 119.914 0.106 0.000 2.407 256 V HA 0.539 4.659 4.120 -0.000 0.000 0.278 256 V C 0.608 176.800 176.094 0.163 0.000 1.037 256 V CA -0.578 61.791 62.300 0.115 0.000 0.900 256 V CB 1.365 33.251 31.823 0.104 0.000 0.983 256 V HN 0.803 nan 8.190 nan 0.000 0.459 257 V N 7.100 127.076 119.914 0.103 0.000 2.394 257 V HA 0.490 4.610 4.120 -0.000 0.000 0.282 257 V C -0.102 176.052 176.094 0.100 0.000 1.031 257 V CA -0.289 62.063 62.300 0.086 0.000 0.881 257 V CB 1.524 33.370 31.823 0.039 0.000 0.982 257 V HN 0.682 nan 8.190 nan 0.000 0.451 258 I N 4.927 125.571 120.570 0.123 0.000 2.521 258 I HA 0.572 4.742 4.170 -0.000 0.000 0.277 258 I C 0.990 177.148 176.117 0.068 0.000 1.054 258 I CA -0.027 61.341 61.300 0.113 0.000 1.117 258 I CB 1.130 39.244 38.000 0.191 0.000 1.217 258 I HN 0.843 nan 8.210 nan 0.000 0.469 259 G N 4.780 113.603 108.800 0.039 0.000 2.591 259 G HA2 -0.380 3.579 3.960 -0.000 0.000 0.298 259 G HA3 -0.380 3.579 3.960 -0.000 0.000 0.298 259 G C 0.861 175.759 174.900 -0.003 0.000 1.195 259 G CA 0.664 45.774 45.100 0.017 0.000 0.989 259 G HN 0.747 nan 8.290 nan 0.000 0.551 260 S N 0.223 115.912 115.700 -0.018 0.000 2.603 260 S HA 0.474 4.944 4.470 -0.000 0.000 0.220 260 S C 0.974 175.523 174.600 -0.085 0.000 0.967 260 S CA 0.615 58.788 58.200 -0.045 0.000 0.920 260 S CB -0.068 63.104 63.200 -0.046 0.000 0.773 260 S HN 0.634 nan 8.310 nan 0.000 0.529 261 L N 1.642 122.812 121.223 -0.087 0.000 2.309 261 L HA 0.743 5.083 4.340 -0.000 0.000 0.282 261 L C 0.484 177.223 176.870 -0.218 0.000 1.036 261 L CA -0.682 54.032 54.840 -0.209 0.000 0.806 261 L CB 1.433 43.354 42.059 -0.229 0.000 1.220 261 L HN 0.278 nan 8.230 nan 0.000 0.429 262 R N 3.121 123.413 120.500 -0.346 0.000 2.451 262 R HA 0.609 4.949 4.340 -0.000 0.000 0.307 262 R C -1.472 174.627 176.300 -0.335 0.000 0.965 262 R CA -0.499 55.472 56.100 -0.214 0.000 0.865 262 R CB 0.780 31.009 30.300 -0.120 0.000 1.174 262 R HN 0.431 nan 8.270 nan 0.000 0.455 263 F N 4.534 124.470 119.950 -0.022 0.000 2.391 263 F HA 0.388 4.915 4.527 -0.000 0.000 0.359 263 F C -1.361 174.425 175.800 -0.022 0.000 1.122 263 F CA -2.674 55.313 58.000 -0.022 0.000 1.120 263 F CB 2.501 41.487 39.000 -0.023 0.000 1.142 263 F HN 0.419 nan 8.300 nan 0.000 0.483 264 P HA 0.025 nan 4.420 nan 0.000 0.235 264 P C -0.750 176.583 177.300 0.056 0.000 1.720 264 P CA 0.433 63.568 63.100 0.058 0.000 1.003 264 P CB -0.266 31.453 31.700 0.032 0.000 1.968 265 V N -3.185 116.765 119.914 0.060 0.000 3.114 265 V HA 0.948 5.067 4.120 -0.000 0.000 0.308 265 V C -0.451 175.646 176.094 0.005 0.000 1.168 265 V CA -1.092 61.218 62.300 0.016 0.000 1.015 265 V CB 1.485 33.303 31.823 -0.010 0.000 1.050 265 V HN 0.279 nan 8.190 nan 0.000 0.433 266 S N 0.277 115.967 115.700 -0.017 0.000 2.634 266 S HA 0.987 5.457 4.470 -0.000 0.000 0.296 266 S C -0.779 173.804 174.600 -0.029 0.000 1.104 266 S CA -0.597 57.594 58.200 -0.015 0.000 0.920 266 S CB 2.128 nan 63.200 nan 0.000 1.111 266 S HN 2.012 nan 8.310 nan 0.000 0.493 267 V N 1.123 121.026 119.914 -0.018 0.000 3.077 267 V HA 0.612 4.732 4.120 -0.000 0.000 0.299 267 V C -0.172 175.920 176.094 -0.003 0.000 1.276 267 V CA 0.006 62.297 62.300 -0.016 0.000 0.993 267 V CB 2.286 34.097 31.823 -0.019 0.000 1.076 267 V HN 1.334 nan 8.190 nan 0.000 0.434 268 S N 3.056 118.757 115.700 0.001 0.000 3.697 268 S HA 0.516 4.986 4.470 -0.000 0.000 0.207 268 S C -0.023 174.583 174.600 0.010 0.000 1.459 268 S CA 0.225 58.428 58.200 0.005 0.000 1.122 268 S CB -0.544 62.660 63.200 0.005 0.000 1.311 268 S HN 1.527 nan 8.310 nan 0.000 0.487 269 S N -1.243 114.464 115.700 0.011 0.000 2.556 269 S HA 0.659 5.129 4.470 -0.000 0.000 0.271 269 S C 0.463 175.070 174.600 0.013 0.000 1.135 269 S CA -0.265 57.943 58.200 0.014 0.000 0.858 269 S CB 0.789 64.001 63.200 0.019 0.000 1.114 269 S HN 0.342 nan 8.310 nan 0.000 0.468 270 D N 1.535 121.942 120.400 0.013 0.000 2.104 270 D HA -0.012 4.628 4.640 -0.000 0.000 0.194 270 D C 0.996 177.305 176.300 0.015 0.000 0.994 270 D CA 1.373 55.380 54.000 0.012 0.000 0.830 270 D CB -0.338 nan 40.800 nan 0.000 0.959 270 D HN 0.703 nan 8.370 nan 0.000 0.452 271 R N -1.563 118.947 120.500 0.016 0.000 2.923 271 R HA 0.809 5.149 4.340 -0.000 0.000 0.252 271 R C -0.949 175.362 176.300 0.019 0.000 1.130 271 R CA -0.269 55.842 56.100 0.018 0.000 1.043 271 R CB 2.286 32.597 30.300 0.018 0.000 1.205 271 R HN 0.410 nan 8.270 nan 0.000 0.495 272 A N -0.022 122.809 122.820 0.018 0.000 2.574 272 A HA 0.695 5.015 4.320 -0.000 0.000 0.297 272 A C -0.926 176.668 177.584 0.015 0.000 1.062 272 A CA -0.540 51.508 52.037 0.018 0.000 0.686 272 A CB 1.429 20.427 19.000 -0.004 0.000 1.285 272 A HN 0.677 nan 8.150 nan 0.000 0.403 273 I N 1.825 122.424 120.570 0.048 0.000 2.336 273 I HA 0.747 4.917 4.170 -0.000 0.000 0.292 273 I C -0.362 175.766 176.117 0.017 0.000 0.991 273 I CA -0.768 60.563 61.300 0.053 0.000 1.227 273 I CB 0.505 38.572 38.000 0.113 0.000 1.366 273 I HN 0.527 nan 8.210 nan 0.000 0.466 274 I N 5.312 125.827 120.570 -0.092 0.000 2.412 274 I HA 0.674 4.844 4.170 -0.000 0.000 0.296 274 I C 0.716 176.737 176.117 -0.159 0.000 0.987 274 I CA -0.530 60.630 61.300 -0.233 0.000 1.180 274 I CB 1.324 38.994 38.000 -0.550 0.000 1.340 274 I HN 0.733 nan 8.210 nan 0.000 0.455 275 G N 6.314 115.037 108.800 -0.128 0.000 2.487 275 G HA2 0.641 4.601 3.960 -0.000 0.000 0.314 275 G HA3 0.641 4.601 3.960 -0.000 0.000 0.314 275 G C -1.425 173.403 174.900 -0.121 0.000 1.267 275 G CA -0.240 44.825 45.100 -0.059 0.000 0.937 275 G HN 0.404 nan 8.290 nan 0.000 0.481 276 I N 1.567 122.063 120.570 -0.123 0.000 2.512 276 I HA 0.443 4.613 4.170 -0.000 0.000 0.287 276 I C 0.102 176.154 176.117 -0.107 0.000 1.069 276 I CA -0.877 60.367 61.300 -0.093 0.000 1.056 276 I CB 1.559 39.525 38.000 -0.056 0.000 1.229 276 I HN 0.457 nan 8.210 nan 0.000 0.429 277 R N 7.834 128.287 120.500 -0.079 0.000 2.594 277 R HA 0.276 4.616 4.340 -0.000 0.000 0.272 277 R C -1.673 174.595 176.300 -0.053 0.000 1.074 277 R CA -1.298 54.757 56.100 -0.075 0.000 1.105 277 R CB 0.178 30.450 30.300 -0.046 0.000 1.008 277 R HN 0.414 nan 8.270 nan 0.000 0.472 278 P HA -0.248 nan 4.420 nan 0.000 0.216 278 P C 0.918 178.296 177.300 0.129 0.000 1.153 278 P CA 1.437 64.497 63.100 -0.067 0.000 0.858 278 P CB 0.028 31.776 31.700 0.081 0.000 0.789 279 E N -0.254 120.062 120.200 0.193 0.000 2.338 279 E HA -0.168 4.182 4.350 -0.000 0.000 0.197 279 E C 0.274 177.036 176.600 0.270 0.000 1.007 279 E CA 1.074 57.613 56.400 0.232 0.000 0.849 279 E CB -0.835 28.987 29.700 0.203 0.000 0.774 279 E HN 0.258 nan 8.360 nan 0.000 0.506 280 D N 1.130 121.661 120.400 0.219 0.000 2.427 280 D HA 0.178 4.818 4.640 -0.000 0.000 0.224 280 D C -0.423 176.125 176.300 0.412 0.000 1.157 280 D CA -0.028 54.125 54.000 0.254 0.000 0.828 280 D CB 0.938 41.806 40.800 0.113 0.000 0.974 280 D HN -0.029 nan 8.370 nan 0.000 0.498 281 V N 0.515 120.653 119.914 0.373 0.000 2.656 281 V HA 0.397 4.517 4.120 -0.000 0.000 0.307 281 V C -0.148 175.984 176.094 0.062 0.000 1.051 281 V CA -0.923 61.531 62.300 0.256 0.000 0.893 281 V CB 3.161 35.043 31.823 0.098 0.000 0.999 281 V HN -0.174 nan 8.190 nan 0.000 0.426 282 K N 3.860 124.160 120.400 -0.166 0.000 2.468 282 K HA 0.739 5.059 4.320 -0.000 0.000 0.252 282 K C -1.831 174.658 176.600 -0.184 0.000 0.932 282 K CA -0.654 55.384 56.287 -0.416 0.000 0.794 282 K CB 1.930 33.679 32.500 -1.253 0.000 1.241 282 K HN 0.632 nan 8.250 nan 0.000 0.428 283 L N 1.903 123.048 121.223 -0.131 0.000 2.325 283 L HA 0.596 4.936 4.340 -0.000 0.000 0.278 283 L C -0.148 176.681 176.870 -0.068 0.000 1.023 283 L CA -0.780 54.027 54.840 -0.056 0.000 0.811 283 L CB 1.890 43.922 42.059 -0.045 0.000 1.249 283 L HN 0.608 nan 8.230 nan 0.000 0.431 284 S N 0.230 115.922 115.700 -0.012 0.000 2.579 284 S HA 0.419 4.889 4.470 -0.000 0.000 0.272 284 S C -0.006 174.589 174.600 -0.009 0.000 1.141 284 S CA -0.661 57.523 58.200 -0.028 0.000 0.843 284 S CB 1.867 65.056 63.200 -0.019 0.000 1.122 284 S HN 0.588 nan 8.310 nan 0.000 0.468 285 K N 1.113 121.496 120.400 -0.029 0.000 2.352 285 K HA 0.229 4.549 4.320 -0.000 0.000 0.194 285 K C 0.583 177.178 176.600 -0.007 0.000 1.038 285 K CA 0.913 57.186 56.287 -0.024 0.000 1.023 285 K CB -0.194 32.283 32.500 -0.038 0.000 0.840 285 K HN 0.820 nan 8.250 nan 0.000 0.519 286 D N 0.450 120.849 120.400 -0.001 0.000 2.477 286 D HA 0.439 5.079 4.640 -0.000 0.000 0.234 286 D C -0.055 176.278 176.300 0.055 0.000 1.048 286 D CA -0.579 53.428 54.000 0.011 0.000 0.959 286 D CB 1.598 42.389 40.800 -0.014 0.000 1.408 286 D HN -0.101 nan 8.370 nan 0.000 0.496 287 V N -1.500 118.456 119.914 0.071 0.000 2.999 287 V HA 0.499 4.619 4.120 -0.000 0.000 0.307 287 V C -0.010 176.095 176.094 0.019 0.000 1.084 287 V CA -0.524 61.862 62.300 0.143 0.000 1.155 287 V CB 0.616 32.508 31.823 0.116 0.000 0.975 287 V HN 0.594 nan 8.190 nan 0.000 0.490 288 I N 3.934 124.454 120.570 -0.084 0.000 2.330 288 I HA 0.404 4.574 4.170 -0.000 0.000 0.289 288 I C 1.066 177.122 176.117 -0.102 0.000 1.001 288 I CA -0.507 60.620 61.300 -0.289 0.000 1.193 288 I CB 0.825 38.331 38.000 -0.824 0.000 1.345 288 I HN 0.990 nan 8.210 nan 0.000 0.461 289 K N 4.045 124.420 120.400 -0.043 0.000 2.630 289 K HA 0.006 4.326 4.320 -0.000 0.000 0.204 289 K C 0.344 176.957 176.600 0.021 0.000 1.024 289 K CA 0.156 56.448 56.287 0.007 0.000 1.157 289 K CB -0.528 31.975 32.500 0.006 0.000 0.899 289 K HN 0.611 nan 8.250 nan 0.000 0.501 290 D N 0.052 120.468 120.400 0.026 0.000 2.264 290 D HA 0.240 4.880 4.640 -0.000 0.000 0.250 290 D C 0.573 176.924 176.300 0.085 0.000 1.113 290 D CA 0.566 54.610 54.000 0.073 0.000 0.871 290 D CB 1.355 42.255 40.800 0.167 0.000 1.167 290 D HN 0.374 nan 8.370 nan 0.000 0.447 291 D N 1.068 121.499 120.400 0.051 0.000 2.349 291 D HA -0.057 4.583 4.640 -0.000 0.000 0.224 291 D C 1.504 177.810 176.300 0.009 0.000 1.029 291 D CA 0.827 54.851 54.000 0.040 0.000 0.879 291 D CB -0.080 40.732 40.800 0.020 0.000 0.906 291 D HN 0.349 nan 8.370 nan 0.000 0.528 292 S N -2.210 113.477 115.700 -0.023 0.000 2.503 292 S HA 0.223 4.693 4.470 -0.000 0.000 0.215 292 S C 0.223 174.648 174.600 -0.291 0.000 1.003 292 S CA -0.582 57.511 58.200 -0.178 0.000 0.910 292 S CB -0.218 62.828 63.200 -0.258 0.000 0.790 292 S HN 0.599 nan 8.310 nan 0.000 0.514 293 W N 1.243 122.554 121.300 0.018 0.000 2.632 293 W HA 0.655 5.315 4.660 -0.000 0.000 0.328 293 W C -0.764 175.881 176.519 0.209 0.000 1.044 293 W CA -0.982 56.406 57.345 0.072 0.000 1.225 293 W CB 1.088 30.500 29.460 -0.081 0.000 1.396 293 W HN -0.029 nan 8.180 nan 0.000 0.499 294 I N 4.653 125.537 120.570 0.523 0.000 2.406 294 I HA 0.189 4.359 4.170 -0.000 0.000 0.290 294 I C -0.274 175.973 176.117 0.216 0.000 0.999 294 I CA -1.289 60.213 61.300 0.338 0.000 1.124 294 I CB 1.048 39.144 38.000 0.160 0.000 1.289 294 I HN 0.229 nan 8.210 nan 0.000 0.441 295 L N 8.285 129.487 121.223 -0.036 0.000 2.462 295 L HA 0.120 4.460 4.340 -0.000 0.000 0.272 295 L C 0.907 177.581 176.870 -0.328 0.000 1.166 295 L CA 0.520 55.028 54.840 -0.553 0.000 0.880 295 L CB 0.889 42.652 42.059 -0.493 0.000 1.142 295 L HN 0.525 nan 8.230 nan 0.000 0.473 296 V N 2.173 121.856 119.914 -0.386 0.000 3.645 296 V HA 0.813 4.933 4.120 -0.000 0.000 0.275 296 V C 0.773 176.644 176.094 -0.372 0.000 1.356 296 V CA 0.491 62.541 62.300 -0.417 0.000 1.051 296 V CB -0.671 30.747 31.823 -0.675 0.000 0.828 296 V HN 1.149 nan 8.190 nan 0.000 0.441 297 G N 0.158 108.765 108.800 -0.322 0.000 2.357 297 G HA2 0.145 4.105 3.960 -0.000 0.000 0.289 297 G HA3 0.145 4.105 3.960 -0.000 0.000 0.289 297 G C -1.308 173.475 174.900 -0.195 0.000 1.302 297 G CA -0.805 44.155 45.100 -0.232 0.000 0.936 297 G HN 0.269 nan 8.290 nan 0.000 0.513 298 K N -0.481 119.839 120.400 -0.133 0.000 2.098 298 K HA 0.667 4.987 4.320 -0.000 0.000 0.257 298 K C 0.404 176.959 176.600 -0.076 0.000 0.999 298 K CA 0.132 56.361 56.287 -0.098 0.000 0.924 298 K CB 1.668 34.126 32.500 -0.070 0.000 1.028 298 K HN 1.025 nan 8.250 nan 0.000 0.466 299 G N 0.689 109.455 108.800 -0.056 0.000 2.687 299 G HA2 0.503 4.463 3.960 -0.000 0.000 0.291 299 G HA3 0.503 4.463 3.960 -0.000 0.000 0.291 299 G C -1.741 173.145 174.900 -0.024 0.000 1.420 299 G CA -0.524 44.556 45.100 -0.034 0.000 0.796 299 G HN 0.411 nan 8.290 nan 0.000 0.485 300 K N -0.113 120.280 120.400 -0.011 0.000 2.501 300 K HA 0.563 4.883 4.320 -0.000 0.000 0.252 300 K C -0.843 175.758 176.600 0.001 0.000 0.934 300 K CA -0.622 55.661 56.287 -0.007 0.000 0.797 300 K CB 2.557 35.055 32.500 -0.003 0.000 1.270 300 K HN 0.329 nan 8.250 nan 0.000 0.431 301 V N 4.101 124.015 119.914 -0.001 0.000 2.521 301 V HA 0.143 4.263 4.120 -0.000 0.000 0.286 301 V C 1.313 177.417 176.094 0.018 0.000 1.034 301 V CA 0.819 63.123 62.300 0.007 0.000 1.045 301 V CB 0.656 32.476 31.823 -0.005 0.000 0.974 301 V HN 1.029 nan 8.190 nan 0.000 0.480 302 K N 4.068 124.483 120.400 0.026 0.000 2.190 302 K HA 0.531 4.851 4.320 -0.000 0.000 0.202 302 K C 0.484 177.104 176.600 0.034 0.000 1.045 302 K CA 1.308 57.613 56.287 0.029 0.000 0.976 302 K CB 0.480 nan 32.500 nan 0.000 0.849 302 K HN 0.630 nan 8.250 nan 0.000 0.468 303 V N -0.521 119.417 119.914 0.040 0.000 3.147 303 V HA 0.643 4.763 4.120 -0.000 0.000 0.299 303 V C -1.915 174.215 176.094 0.060 0.000 1.302 303 V CA -0.865 61.463 62.300 0.047 0.000 1.015 303 V CB 1.963 33.811 31.823 0.041 0.000 1.086 303 V HN 0.448 nan 8.190 nan 0.000 0.437 304 I N 3.322 123.941 120.570 0.081 0.000 2.545 304 I HA 0.875 5.045 4.170 -0.000 0.000 0.292 304 I C 0.186 176.400 176.117 0.163 0.000 1.040 304 I CA -0.064 61.309 61.300 0.121 0.000 1.068 304 I CB 1.933 40.005 38.000 0.120 0.000 1.251 304 I HN 0.881 nan 8.210 nan 0.000 0.424 305 G N 4.676 113.598 108.800 0.202 0.000 2.685 305 G HA2 0.533 4.493 3.960 -0.000 0.000 0.298 305 G HA3 0.533 4.493 3.960 -0.000 0.000 0.298 305 G C -2.345 172.763 174.900 0.346 0.000 1.277 305 G CA -0.360 44.867 45.100 0.212 0.000 0.986 305 G HN 0.494 nan 8.290 nan 0.000 0.487 306 Y N 0.258 120.614 120.300 0.093 0.000 2.332 306 Y HA 0.596 5.146 4.550 -0.000 0.000 0.325 306 Y C -1.034 174.838 175.900 -0.047 0.000 1.054 306 Y CA -0.821 57.266 58.100 -0.021 0.000 1.119 306 Y CB 1.606 40.018 38.460 -0.081 0.000 1.168 306 Y HN 0.584 nan 8.280 nan 0.000 0.439 307 Q N 3.104 122.612 119.800 -0.487 0.000 2.391 307 Q HA 0.599 4.939 4.340 -0.000 0.000 0.279 307 Q C 0.144 175.864 176.000 -0.467 0.000 1.028 307 Q CA -0.501 55.035 55.803 -0.445 0.000 0.836 307 Q CB 2.130 30.768 28.738 -0.168 0.000 1.414 307 Q HN 1.053 nan 8.270 nan 0.000 0.397 308 G N 0.375 108.930 108.800 -0.407 0.000 2.225 308 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.267 308 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.267 308 G C 0.849 175.543 174.900 -0.343 0.000 1.024 308 G CA 0.841 45.755 45.100 -0.310 0.000 0.784 308 G HN 1.836 nan 8.290 nan 0.000 0.507 309 G N -2.128 106.349 108.800 -0.538 0.000 2.179 309 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.260 309 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.260 309 G C 0.364 175.066 174.900 -0.330 0.000 0.977 309 G CA 0.832 45.702 45.100 -0.384 0.000 0.641 309 G HN 1.390 nan 8.290 nan 0.000 0.533 310 L N -0.361 120.612 121.223 -0.417 0.000 2.330 310 L HA 0.742 5.082 4.340 -0.000 0.000 0.271 310 L C 0.212 177.014 176.870 -0.114 0.000 1.013 310 L CA -1.358 53.381 54.840 -0.168 0.000 0.816 310 L CB 1.380 43.422 42.059 -0.028 0.000 1.287 310 L HN 0.010 nan 8.230 nan 0.000 0.435 311 F N 0.959 121.078 119.950 0.281 0.000 2.412 311 F HA 0.379 4.906 4.527 -0.000 0.000 0.348 311 F C 0.604 176.553 175.800 0.249 0.000 1.102 311 F CA -0.271 57.901 58.000 0.287 0.000 1.196 311 F CB 0.810 39.933 39.000 0.205 0.000 1.144 311 F HN 0.315 nan 8.300 nan 0.000 0.541 312 R N 4.797 125.515 120.500 0.363 0.000 2.239 312 R HA 0.513 4.853 4.340 -0.000 0.000 0.332 312 R C -1.288 175.079 176.300 0.111 0.000 0.988 312 R CA -0.371 55.810 56.100 0.134 0.000 0.859 312 R CB 0.330 30.663 30.300 0.055 0.000 1.148 312 R HN 0.700 nan 8.270 nan 0.000 0.482 313 I N 3.574 124.191 120.570 0.078 0.000 2.336 313 I HA 0.227 4.397 4.170 -0.000 0.000 0.292 313 I C -0.097 176.063 176.117 0.070 0.000 0.991 313 I CA -0.453 60.890 61.300 0.070 0.000 1.227 313 I CB 2.131 40.161 38.000 0.049 0.000 1.366 313 I HN 0.477 nan 8.210 nan 0.000 0.466 314 T N 7.406 122.002 114.554 0.070 0.000 2.779 314 T HA 0.632 4.982 4.350 -0.000 0.000 0.280 314 T C -0.151 174.584 174.700 0.059 0.000 0.987 314 T CA -0.400 61.754 62.100 0.089 0.000 0.966 314 T CB 1.136 70.052 68.868 0.081 0.000 0.933 314 T HN 0.479 nan 8.240 nan 0.000 0.442 315 I N 0.421 121.025 120.570 0.057 0.000 3.108 315 I HA 0.910 5.080 4.170 -0.000 0.000 0.312 315 I C -0.398 175.744 176.117 0.042 0.000 1.095 315 I CA -1.047 60.275 61.300 0.037 0.000 1.000 315 I CB 2.625 40.637 38.000 0.021 0.000 1.229 315 I HN 0.639 nan 8.210 nan 0.000 0.454 316 T N -0.175 114.397 114.554 0.031 0.000 2.906 316 T HA 0.673 5.023 4.350 -0.000 0.000 0.295 316 T C -2.940 171.773 174.700 0.022 0.000 1.075 316 T CA -1.989 60.131 62.100 0.033 0.000 1.005 316 T CB 1.619 70.505 68.868 0.030 0.000 1.136 316 T HN 0.470 nan 8.240 nan 0.000 0.498 317 P HA 0.249 nan 4.420 nan 0.000 0.270 317 P C 1.802 179.102 177.300 0.001 0.000 1.223 317 P CA -0.101 63.004 63.100 0.009 0.000 0.785 317 P CB 0.007 31.720 31.700 0.023 0.000 0.923 318 L N 1.027 122.242 121.223 -0.013 0.000 2.103 318 L HA -0.255 4.085 4.340 -0.000 0.000 0.215 318 L C 1.613 178.481 176.870 -0.004 0.000 1.080 318 L CA 2.726 57.558 54.840 -0.012 0.000 0.764 318 L CB -1.785 nan 42.059 nan 0.000 0.890 318 L HN 0.370 nan 8.230 nan 0.000 0.435 319 D N -1.428 118.972 120.400 -0.000 0.000 2.928 319 D HA 0.160 4.800 4.640 -0.000 0.000 0.265 319 D C 1.663 177.969 176.300 0.010 0.000 1.542 319 D CA 1.066 55.068 54.000 0.004 0.000 1.133 319 D CB -0.774 40.028 40.800 0.003 0.000 1.057 319 D HN 0.702 nan 8.370 nan 0.000 0.331 320 S N 0.202 115.911 115.700 0.015 0.000 2.960 320 S HA 0.095 4.565 4.470 -0.000 0.000 0.256 320 S C 0.948 175.562 174.600 0.023 0.000 1.474 320 S CA 0.920 59.132 58.200 0.021 0.000 1.020 320 S CB -0.122 63.095 63.200 0.028 0.000 0.870 320 S HN 0.450 nan 8.310 nan 0.000 0.530 321 E N -1.382 118.834 120.200 0.026 0.000 2.693 321 E HA 0.242 4.592 4.350 -0.000 0.000 0.214 321 E C 0.045 176.666 176.600 0.034 0.000 0.990 321 E CA -0.419 55.998 56.400 0.027 0.000 1.047 321 E CB -0.143 29.570 29.700 0.023 0.000 1.039 321 E HN 0.643 nan 8.360 nan 0.000 0.475 322 E N 0.342 120.566 120.200 0.039 0.000 2.398 322 E HA 0.291 4.641 4.350 -0.000 0.000 0.263 322 E C -0.599 176.033 176.600 0.053 0.000 1.046 322 E CA 0.044 56.471 56.400 0.045 0.000 0.908 322 E CB 1.270 31.000 29.700 0.050 0.000 0.963 322 E HN 0.480 nan 8.360 nan 0.000 0.431 323 E N 1.411 121.647 120.200 0.060 0.000 2.204 323 E HA 0.458 4.808 4.350 -0.000 0.000 0.276 323 E C -0.791 175.857 176.600 0.080 0.000 0.974 323 E CA -0.387 56.060 56.400 0.078 0.000 0.815 323 E CB 0.920 30.679 29.700 0.099 0.000 1.119 323 E HN 0.307 nan 8.360 nan 0.000 0.393 324 I N 5.105 125.723 120.570 0.080 0.000 2.534 324 I HA 0.346 4.516 4.170 -0.000 0.000 0.288 324 I C -1.054 175.100 176.117 0.062 0.000 1.077 324 I CA -0.978 60.337 61.300 0.025 0.000 1.051 324 I CB 0.958 38.973 38.000 0.026 0.000 1.234 324 I HN 0.466 nan 8.210 nan 0.000 0.425 325 F N 3.668 123.596 119.950 -0.037 0.000 2.561 325 F HA 0.920 5.447 4.527 -0.000 0.000 0.321 325 F C -0.335 175.377 175.800 -0.147 0.000 1.065 325 F CA -0.705 57.233 58.000 -0.104 0.000 0.934 325 F CB 1.984 40.895 39.000 -0.148 0.000 1.215 325 F HN 0.366 nan 8.300 nan 0.000 0.471 326 T N 0.524 115.064 114.554 -0.024 0.000 2.762 326 T HA 0.564 4.914 4.350 -0.000 0.000 0.301 326 T C -2.127 172.473 174.700 -0.165 0.000 1.299 326 T CA -0.643 61.393 62.100 -0.105 0.000 1.005 326 T CB 0.950 69.810 68.868 -0.013 0.000 1.377 326 T HN 0.603 nan 8.240 nan 0.000 0.504 327 Y N 0.602 121.016 120.300 0.191 0.000 2.468 327 Y HA 0.733 5.283 4.550 -0.000 0.000 0.342 327 Y C 0.449 176.441 175.900 0.153 0.000 1.021 327 Y CA -0.560 57.646 58.100 0.177 0.000 1.079 327 Y CB 2.350 40.899 38.460 0.147 0.000 1.226 327 Y HN 0.595 nan 8.280 nan 0.000 0.460 328 S N 0.247 116.155 115.700 0.348 0.000 2.547 328 S HA 0.238 4.708 4.470 -0.000 0.000 0.270 328 S C -0.467 174.325 174.600 0.320 0.000 1.150 328 S CA -0.733 57.633 58.200 0.276 0.000 0.850 328 S CB 1.200 64.530 63.200 0.217 0.000 1.118 328 S HN 0.755 nan 8.310 nan 0.000 0.461 329 D N 1.013 121.546 120.400 0.221 0.000 2.317 329 D HA 0.087 4.727 4.640 -0.000 0.000 0.211 329 D C -0.231 176.054 176.300 -0.025 0.000 0.966 329 D CA 1.173 55.216 54.000 0.072 0.000 0.876 329 D CB 0.031 40.774 40.800 -0.095 0.000 0.927 329 D HN 0.553 nan 8.370 nan 0.000 0.519 330 H N -0.655 118.575 119.070 0.265 0.000 2.600 330 H HA 0.344 4.900 4.556 -0.000 0.000 0.357 330 H C -2.213 172.987 175.328 -0.213 0.000 1.106 330 H CA -1.712 54.375 56.048 0.065 0.000 1.193 330 H CB 2.009 31.772 29.762 0.002 0.000 1.594 330 H HN -0.134 nan 8.280 nan 0.000 0.526 331 P HA 0.314 nan 4.420 nan 0.000 0.281 331 P C -0.683 176.285 177.300 -0.554 0.000 1.249 331 P CA -0.369 62.259 63.100 -0.786 0.000 0.810 331 P CB 1.515 32.525 31.700 -1.150 0.000 1.008 332 I N 2.077 122.342 120.570 -0.509 0.000 2.533 332 I HA 0.294 4.464 4.170 -0.000 0.000 0.290 332 I C 0.381 176.216 176.117 -0.470 0.000 1.056 332 I CA -0.912 60.061 61.300 -0.546 0.000 1.057 332 I CB 1.681 39.530 38.000 -0.253 0.000 1.240 332 I HN 0.317 nan 8.210 nan 0.000 0.423 333 H N 3.091 122.117 119.070 -0.074 0.000 2.482 333 H HA 0.298 4.854 4.556 -0.000 0.000 0.344 333 H C 0.140 175.450 175.328 -0.031 0.000 1.151 333 H CA -0.841 55.174 56.048 -0.055 0.000 1.300 333 H CB 1.224 30.954 29.762 -0.054 0.000 1.494 333 H HN 0.587 nan 8.280 nan 0.000 0.542 334 S N -0.073 115.691 115.700 0.107 0.000 2.558 334 S HA 0.208 4.678 4.470 -0.000 0.000 0.291 334 S C 1.442 176.070 174.600 0.048 0.000 1.306 334 S CA 0.213 58.447 58.200 0.056 0.000 1.056 334 S CB 0.509 63.737 63.200 0.048 0.000 0.836 334 S HN 1.050 nan 8.310 nan 0.000 0.504 335 G N 0.217 109.034 108.800 0.027 0.000 2.268 335 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.240 335 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.240 335 G C 0.087 174.995 174.900 0.013 0.000 1.010 335 G CA 0.370 45.482 45.100 0.019 0.000 0.618 335 G HN 1.474 nan 8.290 nan 0.000 0.516 336 E N 1.061 121.268 120.200 0.012 0.000 2.344 336 E HA 0.589 4.939 4.350 -0.000 0.000 0.270 336 E C 0.118 176.709 176.600 -0.014 0.000 1.021 336 E CA 0.467 56.865 56.400 -0.003 0.000 0.887 336 E CB 0.377 30.065 29.700 -0.019 0.000 0.997 336 E HN 0.671 nan 8.360 nan 0.000 0.429 337 E N -0.029 120.161 120.200 -0.016 0.000 2.331 337 E HA 0.458 4.808 4.350 -0.000 0.000 0.272 337 E C -0.148 176.435 176.600 -0.028 0.000 1.036 337 E CA -0.147 56.240 56.400 -0.021 0.000 0.864 337 E CB 1.294 30.982 29.700 -0.020 0.000 1.035 337 E HN 0.637 nan 8.360 nan 0.000 0.408 338 V N 0.879 120.773 119.914 -0.033 0.000 3.159 338 V HA 0.507 4.627 4.120 -0.000 0.000 0.308 338 V C -0.773 175.293 176.094 -0.046 0.000 1.190 338 V CA -1.162 61.117 62.300 -0.036 0.000 1.037 338 V CB 1.413 33.214 31.823 -0.036 0.000 1.060 338 V HN 0.523 nan 8.190 nan 0.000 0.437 339 L N 1.973 123.174 121.223 -0.038 0.000 2.326 339 L HA 0.627 4.967 4.340 -0.000 0.000 0.278 339 L C -0.558 176.259 176.870 -0.088 0.000 1.092 339 L CA -0.735 54.053 54.840 -0.086 0.000 0.810 339 L CB 1.703 43.741 42.059 -0.035 0.000 1.153 339 L HN 0.561 nan 8.230 nan 0.000 0.439 340 V N 3.592 123.391 119.914 -0.191 0.000 2.357 340 V HA 0.343 4.463 4.120 -0.000 0.000 0.284 340 V C -0.661 175.294 176.094 -0.233 0.000 1.018 340 V CA -0.556 61.663 62.300 -0.135 0.000 0.841 340 V CB 0.944 32.703 31.823 -0.107 0.000 0.991 340 V HN 0.417 nan 8.190 nan 0.000 0.437 341 Y N 3.444 123.714 120.300 -0.049 0.000 2.487 341 Y HA 0.782 5.332 4.550 -0.000 0.000 0.337 341 Y C 0.219 176.258 175.900 0.231 0.000 1.076 341 Y CA -0.762 57.372 58.100 0.056 0.000 1.115 341 Y CB 2.304 40.756 38.460 -0.014 0.000 1.235 341 Y HN 0.539 nan 8.280 nan 0.000 0.468 342 V N -0.443 119.811 119.914 0.566 0.000 3.049 342 V HA 0.628 4.748 4.120 -0.000 0.000 0.309 342 V C -0.897 175.441 176.094 0.405 0.000 1.148 342 V CA -1.567 61.054 62.300 0.534 0.000 0.990 342 V CB 2.037 34.061 31.823 0.334 0.000 1.039 342 V HN 0.648 nan 8.190 nan 0.000 0.430 343 R N 2.003 122.574 120.500 0.119 0.000 2.370 343 R HA 0.368 4.708 4.340 -0.000 0.000 0.309 343 R C 1.449 177.729 176.300 -0.033 0.000 1.059 343 R CA 0.562 56.548 56.100 -0.190 0.000 0.981 343 R CB 1.150 31.260 30.300 -0.317 0.000 0.972 343 R HN 1.084 nan 8.270 nan 0.000 0.437 344 K N 2.792 123.175 120.400 -0.029 0.000 2.020 344 K HA -0.222 4.098 4.320 -0.000 0.000 0.212 344 K C 1.746 178.341 176.600 -0.008 0.000 1.050 344 K CA 2.412 58.705 56.287 0.010 0.000 0.929 344 K CB -1.439 31.064 32.500 0.004 0.000 0.714 344 K HN 0.804 nan 8.250 nan 0.000 0.443 345 D N 0.666 121.044 120.400 -0.037 0.000 2.371 345 D HA -0.004 4.636 4.640 -0.000 0.000 0.234 345 D C 1.663 177.944 176.300 -0.033 0.000 1.049 345 D CA 0.804 54.784 54.000 -0.034 0.000 0.907 345 D CB -0.109 40.668 40.800 -0.039 0.000 0.891 345 D HN 0.377 nan 8.370 nan 0.000 0.531 346 K N -0.493 119.889 120.400 -0.030 0.000 2.358 346 K HA 0.272 4.592 4.320 -0.000 0.000 0.200 346 K C 0.283 176.864 176.600 -0.033 0.000 1.030 346 K CA -0.220 56.051 56.287 -0.026 0.000 1.097 346 K CB 0.933 33.420 32.500 -0.021 0.000 0.862 346 K HN 0.442 nan 8.250 nan 0.000 0.534 347 I N 2.513 123.066 120.570 -0.028 0.000 2.452 347 I HA 0.006 4.176 4.170 -0.000 0.000 0.287 347 I C 0.058 176.096 176.117 -0.131 0.000 1.079 347 I CA 0.083 61.349 61.300 -0.056 0.000 1.387 347 I CB 0.309 38.308 38.000 -0.002 0.000 1.404 347 I HN -0.262 nan 8.210 nan 0.000 0.522 348 K N 5.752 126.042 120.400 -0.184 0.000 2.185 348 K HA 0.669 4.989 4.320 -0.000 0.000 0.269 348 K C -1.114 175.196 176.600 -0.483 0.000 0.987 348 K CA -0.626 55.470 56.287 -0.318 0.000 0.865 348 K CB 2.070 34.458 32.500 -0.187 0.000 1.090 348 K HN 0.319 nan 8.250 nan 0.000 0.450 349 V N 3.350 122.826 119.914 -0.730 0.000 2.588 349 V HA 0.554 4.674 4.120 -0.000 0.000 0.304 349 V C -0.989 174.572 176.094 -0.889 0.000 1.042 349 V CA -1.010 60.928 62.300 -0.603 0.000 0.877 349 V CB 0.842 32.479 31.823 -0.310 0.000 0.996 349 V HN 0.576 nan 8.190 nan 0.000 0.425 350 F N 0.260 120.180 119.950 -0.051 0.000 2.576 350 F HA 0.503 5.030 4.527 -0.000 0.000 0.313 350 F C 0.509 176.292 175.800 -0.029 0.000 1.078 350 F CA -0.866 57.112 58.000 -0.036 0.000 0.921 350 F CB 1.662 40.640 39.000 -0.037 0.000 1.232 350 F HN 0.431 nan 8.300 nan 0.000 0.459 351 E N 1.167 121.462 120.200 0.158 0.000 2.413 351 E HA 0.039 4.389 4.350 -0.000 0.000 0.263 351 E C -0.526 176.125 176.600 0.084 0.000 1.015 351 E CA -0.217 56.234 56.400 0.085 0.000 0.916 351 E CB 0.718 30.456 29.700 0.063 0.000 0.947 351 E HN 0.191 nan 8.360 nan 0.000 0.440 352 K N 3.301 123.732 120.400 0.052 0.000 2.250 352 K HA 0.154 4.474 4.320 -0.000 0.000 0.280 352 K C -1.000 175.616 176.600 0.026 0.000 1.098 352 K CA 0.089 56.399 56.287 0.038 0.000 0.916 352 K CB -0.140 32.377 32.500 0.029 0.000 1.209 352 K HN 0.381 nan 8.250 nan 0.000 0.461 353 N N 0.000 118.713 118.700 0.021 0.000 1.763 353 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 353 N CA 0.000 53.058 53.050 0.014 0.000 0.885 353 N CB 0.000 38.495 38.487 0.013 0.000 1.341 353 N HN 0.000 nan 8.380 nan 0.000 0.667