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 1oxu_1_A 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 0.000 176.291 176.300 -0.015 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.009 0.000 0.988 1 M CB 0.000 32.600 32.600 0.000 0.000 1.302 2 V N 1.344 121.232 119.914 -0.044 0.000 2.891 2 V HA 0.566 4.686 4.120 -0.000 0.000 0.304 2 V C -1.433 174.582 176.094 -0.131 0.000 1.171 2 V CA -0.437 61.821 62.300 -0.070 0.000 0.943 2 V CB 2.545 34.323 31.823 -0.076 0.000 1.037 2 V HN 0.245 nan 8.190 nan 0.000 0.427 3 R N 6.111 126.544 120.500 -0.112 0.000 2.308 3 R HA 0.580 4.920 4.340 -0.000 0.000 0.305 3 R C -0.835 175.341 176.300 -0.208 0.000 1.053 3 R CA -0.619 55.404 56.100 -0.129 0.000 0.957 3 R CB 1.195 31.454 30.300 -0.069 0.000 1.022 3 R HN 0.541 nan 8.270 nan 0.000 0.461 4 I N 5.518 125.938 120.570 -0.250 0.000 2.328 4 I HA 0.294 4.464 4.170 -0.000 0.000 0.287 4 I C 0.143 176.192 176.117 -0.112 0.000 1.012 4 I CA -0.507 60.618 61.300 -0.291 0.000 1.195 4 I CB 1.064 38.843 38.000 -0.369 0.000 1.350 4 I HN 0.523 nan 8.210 nan 0.000 0.464 5 I N 6.835 127.415 120.570 0.017 0.000 2.328 5 I HA 0.302 4.472 4.170 -0.000 0.000 0.287 5 I C -0.276 175.928 176.117 0.144 0.000 1.012 5 I CA -0.717 60.623 61.300 0.068 0.000 1.195 5 I CB 1.682 39.724 38.000 0.070 0.000 1.350 5 I HN 0.142 nan 8.210 nan 0.000 0.464 6 V N 6.875 126.847 119.914 0.097 0.000 2.328 6 V HA 0.299 4.419 4.120 -0.000 0.000 0.278 6 V C 0.063 176.226 176.094 0.115 0.000 1.021 6 V CA -0.674 61.703 62.300 0.129 0.000 0.838 6 V CB 1.291 33.218 31.823 0.173 0.000 0.999 6 V HN 0.616 nan 8.190 nan 0.000 0.447 7 K N 4.590 125.069 120.400 0.132 0.000 2.425 7 K HA 0.355 4.675 4.320 -0.000 0.000 0.259 7 K C 0.138 176.789 176.600 0.085 0.000 0.978 7 K CA -0.497 55.853 56.287 0.105 0.000 0.883 7 K CB 0.378 32.958 32.500 0.134 0.000 1.110 7 K HN 0.687 nan 8.250 nan 0.000 0.436 8 N N 1.420 120.158 118.700 0.065 0.000 2.725 8 N HA -0.162 4.578 4.740 -0.000 0.000 0.251 8 N C -0.833 174.708 175.510 0.050 0.000 1.031 8 N CA 0.657 53.737 53.050 0.050 0.000 0.720 8 N CB -1.201 37.310 38.487 0.041 0.000 0.930 8 N HN 0.221 nan 8.380 nan 0.000 0.543 9 V N 0.549 120.504 119.914 0.068 0.000 2.455 9 V HA 0.275 4.395 4.120 -0.000 0.000 0.273 9 V C 0.778 176.903 176.094 0.052 0.000 1.045 9 V CA 0.034 62.372 62.300 0.064 0.000 0.976 9 V CB 1.612 33.493 31.823 0.098 0.000 0.993 9 V HN 0.278 nan 8.190 nan 0.000 0.475 10 S N 4.023 119.734 115.700 0.019 0.000 2.566 10 S HA 0.800 5.270 4.470 -0.000 0.000 0.298 10 S C -0.702 173.872 174.600 -0.043 0.000 1.083 10 S CA -0.857 57.342 58.200 -0.002 0.000 0.978 10 S CB 1.986 65.180 63.200 -0.011 0.000 1.073 10 S HN 0.701 nan 8.310 nan 0.000 0.491 11 K N 1.774 122.127 120.400 -0.078 0.000 2.581 11 K HA 0.575 4.895 4.320 -0.000 0.000 0.249 11 K C -1.270 175.159 176.600 -0.285 0.000 0.966 11 K CA -0.659 55.509 56.287 -0.198 0.000 0.811 11 K CB 1.084 33.464 32.500 -0.200 0.000 1.223 11 K HN 0.480 nan 8.250 nan 0.000 0.438 12 V N 0.861 120.560 119.914 -0.358 0.000 2.769 12 V HA 0.779 4.899 4.120 -0.000 0.000 0.312 12 V C -0.795 175.002 176.094 -0.495 0.000 1.058 12 V CA -0.602 61.522 62.300 -0.293 0.000 0.952 12 V CB 1.141 32.889 31.823 -0.125 0.000 1.019 12 V HN 0.641 nan 8.190 nan 0.000 0.445 13 F N 0.009 119.964 119.950 0.009 0.000 2.654 13 F HA 0.647 5.174 4.527 -0.000 0.000 0.334 13 F C 0.666 176.469 175.800 0.005 0.000 1.078 13 F CA -1.234 56.770 58.000 0.007 0.000 0.986 13 F CB 1.830 40.834 39.000 0.007 0.000 1.362 13 F HN 0.602 nan 8.300 nan 0.000 0.498 14 K N 1.315 121.860 120.400 0.242 0.000 3.148 14 K HA -0.253 4.067 4.320 -0.000 0.000 0.267 14 K C -0.355 176.292 176.600 0.078 0.000 0.996 14 K CA 0.923 57.283 56.287 0.122 0.000 0.737 14 K CB -1.323 31.235 32.500 0.095 0.000 1.308 14 K HN 0.708 nan 8.250 nan 0.000 0.470 15 K N -2.175 118.266 120.400 0.068 0.000 3.069 15 K HA -0.304 4.016 4.320 -0.000 0.000 0.267 15 K C 0.823 177.437 176.600 0.022 0.000 1.082 15 K CA 0.873 57.181 56.287 0.035 0.000 0.782 15 K CB -1.787 30.731 32.500 0.030 0.000 1.230 15 K HN 0.938 nan 8.250 nan 0.000 0.488 16 G N 0.095 108.908 108.800 0.022 0.000 2.238 16 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.217 16 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.217 16 G C 0.686 175.599 174.900 0.022 0.000 0.996 16 G CA 0.618 45.723 45.100 0.009 0.000 0.632 16 G HN 0.323 nan 8.290 nan 0.000 0.503 17 K N 0.306 120.728 120.400 0.037 0.000 2.097 17 K HA 0.210 4.530 4.320 -0.000 0.000 0.206 17 K C 0.658 177.287 176.600 0.049 0.000 1.049 17 K CA 1.560 57.870 56.287 0.038 0.000 0.933 17 K CB -0.047 32.476 32.500 0.039 0.000 0.717 17 K HN 0.280 nan 8.250 nan 0.000 0.442 18 V N 2.153 122.113 119.914 0.077 0.000 2.370 18 V HA 0.182 4.302 4.120 -0.000 0.000 0.283 18 V C -0.670 175.478 176.094 0.089 0.000 1.023 18 V CA -0.825 61.535 62.300 0.100 0.000 0.857 18 V CB 1.650 33.567 31.823 0.158 0.000 0.985 18 V HN -0.117 nan 8.190 nan 0.000 0.443 19 V N 5.301 125.251 119.914 0.060 0.000 2.288 19 V HA 0.325 4.445 4.120 -0.000 0.000 0.266 19 V C 1.151 177.281 176.094 0.060 0.000 1.048 19 V CA 0.375 62.695 62.300 0.033 0.000 0.842 19 V CB 0.683 32.516 31.823 0.016 0.000 1.064 19 V HN 1.010 nan 8.190 nan 0.000 0.472 20 A N 5.622 128.494 122.820 0.086 0.000 1.970 20 A HA 0.286 4.606 4.320 -0.000 0.000 0.216 20 A C 0.769 178.407 177.584 0.090 0.000 1.170 20 A CA 0.983 53.105 52.037 0.142 0.000 0.645 20 A CB 0.087 19.271 19.000 0.306 0.000 0.816 20 A HN 0.600 nan 8.150 nan 0.000 0.447 21 L N -0.202 121.051 121.223 0.050 0.000 2.410 21 L HA 0.428 4.768 4.340 -0.000 0.000 0.270 21 L C -1.665 175.221 176.870 0.027 0.000 0.983 21 L CA -0.744 54.127 54.840 0.052 0.000 0.822 21 L CB 2.248 44.360 42.059 0.088 0.000 1.285 21 L HN 0.056 nan 8.230 nan 0.000 0.409 22 D N 3.005 123.420 120.400 0.026 0.000 2.440 22 D HA 0.242 4.882 4.640 -0.000 0.000 0.252 22 D C -0.228 176.084 176.300 0.019 0.000 1.180 22 D CA -0.339 53.670 54.000 0.017 0.000 0.894 22 D CB 0.609 41.417 40.800 0.013 0.000 1.111 22 D HN 0.565 nan 8.370 nan 0.000 0.544 23 N N 1.624 120.337 118.700 0.023 0.000 2.725 23 N HA -0.168 4.572 4.740 -0.000 0.000 0.251 23 N C -0.637 174.892 175.510 0.033 0.000 1.031 23 N CA 0.353 53.419 53.050 0.026 0.000 0.720 23 N CB -0.471 38.027 38.487 0.018 0.000 0.930 23 N HN 0.163 nan 8.380 nan 0.000 0.543 24 V N 0.825 120.769 119.914 0.049 0.000 2.508 24 V HA 0.155 4.275 4.120 -0.000 0.000 0.281 24 V C 0.502 176.636 176.094 0.066 0.000 1.041 24 V CA -0.035 62.297 62.300 0.053 0.000 1.016 24 V CB 1.018 32.891 31.823 0.082 0.000 0.984 24 V HN 0.324 nan 8.190 nan 0.000 0.478 25 N N 4.496 123.222 118.700 0.043 0.000 2.346 25 N HA 0.716 5.456 4.740 -0.000 0.000 0.289 25 N C -1.134 174.392 175.510 0.026 0.000 1.027 25 N CA -0.367 52.708 53.050 0.042 0.000 0.864 25 N CB 2.779 41.284 38.487 0.029 0.000 1.370 25 N HN 0.619 nan 8.380 nan 0.000 0.481 26 I N 1.543 122.124 120.570 0.020 0.000 2.771 26 I HA 0.273 4.443 4.170 -0.000 0.000 0.291 26 I C -1.915 174.159 176.117 -0.072 0.000 1.527 26 I CA -0.458 60.820 61.300 -0.036 0.000 1.024 26 I CB 1.900 39.856 38.000 -0.074 0.000 1.388 26 I HN 0.287 nan 8.210 nan 0.000 0.447 27 N N 7.973 126.608 118.700 -0.109 0.000 2.564 27 N HA 0.511 5.251 4.740 -0.000 0.000 0.248 27 N C -1.019 174.373 175.510 -0.196 0.000 0.986 27 N CA -0.219 52.760 53.050 -0.117 0.000 0.921 27 N CB 1.609 40.055 38.487 -0.069 0.000 1.136 27 N HN 0.498 nan 8.380 nan 0.000 0.509 28 I N 1.459 121.868 120.570 -0.268 0.000 2.352 28 I HA 0.087 4.257 4.170 -0.000 0.000 0.290 28 I C 0.859 176.881 176.117 -0.158 0.000 1.036 28 I CA -0.479 60.636 61.300 -0.307 0.000 1.336 28 I CB 0.777 38.540 38.000 -0.394 0.000 1.407 28 I HN 0.090 nan 8.210 nan 0.000 0.497 29 E N 5.083 125.230 120.200 -0.088 0.000 2.390 29 E HA 0.076 4.426 4.350 -0.000 0.000 0.261 29 E C -0.345 176.225 176.600 -0.050 0.000 1.076 29 E CA -0.353 56.016 56.400 -0.052 0.000 0.905 29 E CB 0.544 30.234 29.700 -0.018 0.000 0.984 29 E HN 0.590 nan 8.360 nan 0.000 0.427 30 N N -0.542 118.131 118.700 -0.045 0.000 2.454 30 N HA 0.200 4.940 4.740 -0.000 0.000 0.260 30 N C 0.896 176.394 175.510 -0.020 0.000 1.218 30 N CA 0.316 53.341 53.050 -0.040 0.000 0.904 30 N CB 0.461 38.930 38.487 -0.031 0.000 1.065 30 N HN 0.599 nan 8.380 nan 0.000 0.462 31 G N 0.128 108.918 108.800 -0.017 0.000 2.184 31 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.264 31 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.264 31 G C -0.050 174.858 174.900 0.013 0.000 0.975 31 G CA 0.372 45.471 45.100 -0.001 0.000 0.642 31 G HN 0.837 nan 8.290 nan 0.000 0.536 32 E N 0.309 120.521 120.200 0.020 0.000 2.366 32 E HA 0.476 4.826 4.350 -0.000 0.000 0.266 32 E C 0.415 177.062 176.600 0.079 0.000 1.051 32 E CA -0.769 55.663 56.400 0.053 0.000 0.884 32 E CB 0.348 30.092 29.700 0.073 0.000 1.006 32 E HN 0.370 nan 8.360 nan 0.000 0.417 33 R N 3.692 124.243 120.500 0.085 0.000 2.230 33 R HA 0.247 4.587 4.340 -0.000 0.000 0.337 33 R C -1.028 175.347 176.300 0.125 0.000 1.063 33 R CA -0.330 55.822 56.100 0.086 0.000 0.935 33 R CB 0.387 30.713 30.300 0.045 0.000 1.121 33 R HN 0.342 nan 8.270 nan 0.000 0.486 34 F N 1.196 121.148 119.950 0.004 0.000 2.495 34 F HA 0.628 5.155 4.527 -0.000 0.000 0.327 34 F C 0.119 175.926 175.800 0.011 0.000 1.103 34 F CA -0.446 57.556 58.000 0.003 0.000 0.949 34 F CB 1.834 40.842 39.000 0.013 0.000 1.142 34 F HN 0.469 nan 8.300 nan 0.000 0.457 35 G N 5.908 114.371 108.800 -0.561 0.000 2.482 35 G HA2 0.659 4.619 3.960 -0.000 0.000 0.317 35 G HA3 0.659 4.619 3.960 -0.000 0.000 0.317 35 G C -1.683 172.980 174.900 -0.396 0.000 1.241 35 G CA -0.732 44.177 45.100 -0.317 0.000 0.967 35 G HN 0.668 nan 8.290 nan 0.000 0.482 36 I N 1.144 121.642 120.570 -0.120 0.000 2.436 36 I HA 0.336 4.506 4.170 -0.000 0.000 0.289 36 I C -1.092 174.985 176.117 -0.068 0.000 1.010 36 I CA -0.771 60.474 61.300 -0.093 0.000 1.098 36 I CB 2.142 40.127 38.000 -0.025 0.000 1.266 36 I HN 0.245 nan 8.210 nan 0.000 0.434 37 L N 6.391 127.567 121.223 -0.078 0.000 2.341 37 L HA 0.954 5.294 4.340 -0.000 0.000 0.278 37 L C -0.311 176.551 176.870 -0.012 0.000 1.005 37 L CA 0.138 54.957 54.840 -0.035 0.000 0.818 37 L CB 1.724 43.757 42.059 -0.044 0.000 1.259 37 L HN 0.665 nan 8.230 nan 0.000 0.418 38 G N 3.934 112.750 108.800 0.026 0.000 2.655 38 G HA2 0.495 4.455 3.960 -0.000 0.000 0.296 38 G HA3 0.495 4.455 3.960 -0.000 0.000 0.296 38 G C -3.354 171.587 174.900 0.068 0.000 1.485 38 G CA -0.812 44.307 45.100 0.031 0.000 0.869 38 G HN 0.423 nan 8.290 nan 0.000 0.540 39 P HA 0.284 nan 4.420 nan 0.000 0.273 39 P C 0.550 177.866 177.300 0.026 0.000 1.250 39 P CA -0.287 62.842 63.100 0.049 0.000 0.793 39 P CB 0.708 32.422 31.700 0.024 0.000 1.011 40 S N 0.223 115.915 115.700 -0.013 0.000 2.563 40 S HA 0.286 4.756 4.470 -0.000 0.000 0.294 40 S C 1.420 176.012 174.600 -0.014 0.000 1.279 40 S CA 1.218 59.397 58.200 -0.035 0.000 1.069 40 S CB -1.538 61.614 63.200 -0.079 0.000 0.828 40 S HN 0.865 nan 8.310 nan 0.000 0.497 41 G N 3.187 111.983 108.800 -0.006 0.000 2.176 41 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.253 41 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.253 41 G C 0.929 175.841 174.900 0.020 0.000 0.979 41 G CA 0.366 45.468 45.100 0.003 0.000 0.641 41 G HN 1.337 nan 8.290 nan 0.000 0.530 42 A N -0.166 122.667 122.820 0.021 0.000 2.067 42 A HA 0.470 4.790 4.320 -0.000 0.000 0.219 42 A C 2.664 180.270 177.584 0.037 0.000 1.158 42 A CA 2.432 54.483 52.037 0.023 0.000 0.661 42 A CB -0.436 18.573 19.000 0.015 0.000 0.801 42 A HN 2.535 nan 8.150 nan 0.000 0.452 43 G N -1.436 107.396 108.800 0.054 0.000 2.148 43 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.157 43 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.157 43 G C 0.749 175.716 174.900 0.111 0.000 1.012 43 G CA 0.504 45.659 45.100 0.092 0.000 0.677 43 G HN 0.458 nan 8.290 nan 0.000 0.506 44 K N -0.223 120.224 120.400 0.078 0.000 2.009 44 K HA -0.063 4.257 4.320 -0.000 0.000 0.210 44 K C 2.526 179.196 176.600 0.118 0.000 1.049 44 K CA 1.906 58.252 56.287 0.098 0.000 0.929 44 K CB -0.329 32.209 32.500 0.063 0.000 0.714 44 K HN 0.276 nan 8.250 nan 0.000 0.440 45 T N 0.810 115.387 114.554 0.038 0.000 2.777 45 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 45 T C 1.930 176.632 174.700 0.002 0.000 1.040 45 T CA 1.683 63.753 62.100 -0.051 0.000 1.141 45 T CB -0.331 68.480 68.868 -0.095 0.000 0.868 45 T HN 0.283 nan 8.240 nan 0.000 0.444 46 T N 1.840 116.451 114.554 0.096 0.000 2.684 46 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 46 T C 1.524 176.313 174.700 0.149 0.000 1.036 46 T CA 1.216 63.412 62.100 0.160 0.000 1.148 46 T CB -0.526 68.494 68.868 0.254 0.000 0.863 46 T HN 0.384 nan 8.240 nan 0.000 0.436 47 F N 1.681 121.651 119.950 0.035 0.000 2.069 47 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 47 F C 2.199 178.020 175.800 0.035 0.000 1.113 47 F CA 1.314 59.336 58.000 0.036 0.000 1.214 47 F CB -0.345 38.680 39.000 0.042 0.000 0.978 47 F HN -0.008 nan 8.300 nan 0.000 0.474 48 M N 0.189 119.805 119.600 0.027 0.000 2.159 48 M HA -0.172 4.307 4.480 -0.000 0.000 0.263 48 M C 2.246 178.506 176.300 -0.067 0.000 1.063 48 M CA 1.571 56.827 55.300 -0.074 0.000 1.110 48 M CB -1.237 31.317 32.600 -0.077 0.000 1.374 48 M HN 0.195 nan 8.290 nan 0.000 0.411 49 R N -0.063 120.400 120.500 -0.063 0.000 2.096 49 R HA -0.042 4.298 4.340 -0.000 0.000 0.235 49 R C 2.187 178.493 176.300 0.010 0.000 1.127 49 R CA 1.106 57.217 56.100 0.019 0.000 0.968 49 R CB -0.347 29.971 30.300 0.029 0.000 0.861 49 R HN 0.340 nan 8.270 nan 0.000 0.440 50 I N 0.517 121.055 120.570 -0.054 0.000 2.315 50 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 50 I C 1.939 177.998 176.117 -0.097 0.000 1.117 50 I CA 0.831 62.084 61.300 -0.078 0.000 1.404 50 I CB -0.121 37.821 38.000 -0.096 0.000 1.071 50 I HN 0.109 nan 8.210 nan 0.000 0.419 51 I N 1.040 121.503 120.570 -0.179 0.000 2.286 51 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 51 I C 2.792 178.973 176.117 0.107 0.000 1.115 51 I CA 1.557 62.818 61.300 -0.065 0.000 1.392 51 I CB -1.564 36.319 38.000 -0.196 0.000 1.065 51 I HN 0.161 nan 8.210 nan 0.000 0.418 52 A N -0.030 122.842 122.820 0.087 0.000 1.969 52 A HA 0.147 4.467 4.320 -0.000 0.000 0.218 52 A C 2.063 179.675 177.584 0.046 0.000 1.169 52 A CA 1.613 53.724 52.037 0.124 0.000 0.635 52 A CB -0.662 18.469 19.000 0.217 0.000 0.810 52 A HN 0.580 nan 8.150 nan 0.000 0.445 53 G N -1.837 106.970 108.800 0.011 0.000 2.163 53 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.213 53 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.213 53 G C 0.699 175.600 174.900 0.001 0.000 0.991 53 G CA 0.319 45.398 45.100 -0.034 0.000 0.653 53 G HN 0.426 nan 8.290 nan 0.000 0.518 54 L N -0.245 121.005 121.223 0.045 0.000 2.478 54 L HA 0.300 4.640 4.340 -0.000 0.000 0.223 54 L C 0.953 177.855 176.870 0.053 0.000 1.140 54 L CA 1.000 55.880 54.840 0.066 0.000 0.842 54 L CB -0.000 42.133 42.059 0.124 0.000 0.953 54 L HN 0.296 nan 8.230 nan 0.000 0.452 55 D N -1.371 119.049 120.400 0.034 0.000 2.615 55 D HA 0.477 5.117 4.640 -0.000 0.000 0.267 55 D C -1.214 175.081 176.300 -0.009 0.000 1.236 55 D CA -0.262 53.755 54.000 0.029 0.000 0.839 55 D CB 2.699 43.537 40.800 0.063 0.000 1.380 55 D HN -0.227 nan 8.370 nan 0.000 0.433 56 V N -1.792 118.107 119.914 -0.024 0.000 3.001 56 V HA 0.804 4.924 4.120 -0.000 0.000 0.314 56 V C -2.752 173.308 176.094 -0.057 0.000 1.099 56 V CA -2.212 60.060 62.300 -0.046 0.000 0.989 56 V CB 1.532 33.324 31.823 -0.051 0.000 1.040 56 V HN 0.385 nan 8.190 nan 0.000 0.434 57 P HA 0.324 nan 4.420 nan 0.000 0.271 57 P C 0.588 177.848 177.300 -0.066 0.000 1.216 57 P CA 0.109 63.177 63.100 -0.053 0.000 0.776 57 P CB 1.013 32.694 31.700 -0.032 0.000 0.881 58 S N 0.177 115.826 115.700 -0.084 0.000 2.371 58 S HA -0.014 4.456 4.470 -0.000 0.000 0.224 58 S C 0.922 175.491 174.600 -0.052 0.000 1.029 58 S CA 1.330 59.480 58.200 -0.082 0.000 0.978 58 S CB -0.507 62.628 63.200 -0.108 0.000 0.833 58 S HN 0.750 nan 8.310 nan 0.000 0.466 59 T N -1.569 112.961 114.554 -0.039 0.000 2.896 59 T HA 0.696 5.046 4.350 -0.000 0.000 0.297 59 T C -0.044 174.651 174.700 -0.008 0.000 1.108 59 T CA -0.286 61.801 62.100 -0.021 0.000 1.004 59 T CB 1.808 70.667 68.868 -0.015 0.000 1.159 59 T HN 0.754 nan 8.240 nan 0.000 0.499 60 G N 0.949 109.751 108.800 0.003 0.000 2.655 60 G HA2 0.195 4.155 3.960 -0.000 0.000 0.680 60 G HA3 0.195 4.155 3.960 -0.000 0.000 0.680 60 G C -1.319 173.589 174.900 0.013 0.000 1.302 60 G CA -0.671 44.443 45.100 0.022 0.000 0.872 60 G HN 0.973 nan 8.290 nan 0.000 0.540 61 E N -1.310 118.914 120.200 0.040 0.000 2.393 61 E HA 0.670 5.020 4.350 -0.000 0.000 0.273 61 E C -1.288 175.328 176.600 0.025 0.000 0.918 61 E CA -1.005 55.394 56.400 -0.001 0.000 0.773 61 E CB 2.771 32.491 29.700 0.033 0.000 1.275 61 E HN 0.659 nan 8.360 nan 0.000 0.451 62 L N 1.755 122.915 121.223 -0.105 0.000 2.410 62 L HA 0.479 4.819 4.340 -0.000 0.000 0.270 62 L C -2.008 174.783 176.870 -0.132 0.000 0.983 62 L CA -0.498 54.340 54.840 -0.004 0.000 0.822 62 L CB 1.100 43.162 42.059 0.004 0.000 1.285 62 L HN 0.459 nan 8.230 nan 0.000 0.409 63 Y N 4.253 124.641 120.300 0.147 0.000 2.425 63 Y HA 0.597 5.147 4.550 -0.000 0.000 0.344 63 Y C -0.886 175.240 175.900 0.377 0.000 0.969 63 Y CA -0.508 57.701 58.100 0.182 0.000 1.052 63 Y CB 1.901 40.415 38.460 0.090 0.000 1.215 63 Y HN 0.365 nan 8.280 nan 0.000 0.451 64 F N 3.549 123.561 119.950 0.104 0.000 2.361 64 F HA 0.314 4.841 4.527 -0.000 0.000 0.364 64 F C 0.503 176.345 175.800 0.070 0.000 1.117 64 F CA -0.900 57.134 58.000 0.057 0.000 1.071 64 F CB 0.398 39.407 39.000 0.016 0.000 1.188 64 F HN 0.646 nan 8.300 nan 0.000 0.464 65 D N 1.052 121.546 120.400 0.158 0.000 3.608 65 D HA -0.303 4.337 4.640 -0.000 0.000 0.152 65 D C 0.864 177.242 176.300 0.129 0.000 0.971 65 D CA 1.926 55.986 54.000 0.099 0.000 1.072 65 D CB -0.522 40.332 40.800 0.090 0.000 0.507 65 D HN 0.611 nan 8.370 nan 0.000 0.520 66 D N 0.948 121.417 120.400 0.116 0.000 2.340 66 D HA 0.040 4.680 4.640 -0.000 0.000 0.217 66 D C 0.226 176.665 176.300 0.232 0.000 1.081 66 D CA 0.105 54.179 54.000 0.122 0.000 0.842 66 D CB -0.212 40.622 40.800 0.055 0.000 0.934 66 D HN 0.223 nan 8.370 nan 0.000 0.511 67 R N 0.678 121.320 120.500 0.236 0.000 2.202 67 R HA 0.328 4.668 4.340 -0.000 0.000 0.334 67 R C -0.421 175.953 176.300 0.123 0.000 1.036 67 R CA -0.991 55.207 56.100 0.163 0.000 0.878 67 R CB 1.279 31.631 30.300 0.087 0.000 1.067 67 R HN 0.066 nan 8.270 nan 0.000 0.457 68 L N 5.030 126.244 121.223 -0.015 0.000 2.410 68 L HA 0.013 4.353 4.340 -0.000 0.000 0.273 68 L C 0.796 177.497 176.870 -0.282 0.000 1.144 68 L CA 0.477 55.071 54.840 -0.410 0.000 0.863 68 L CB 1.331 43.172 42.059 -0.362 0.000 1.140 68 L HN 0.649 nan 8.230 nan 0.000 0.463 69 V N 2.078 121.795 119.914 -0.328 0.000 3.612 69 V HA 0.790 4.910 4.120 -0.000 0.000 0.268 69 V C 0.439 176.387 176.094 -0.242 0.000 1.365 69 V CA 0.487 62.610 62.300 -0.294 0.000 1.044 69 V CB -0.294 31.256 31.823 -0.456 0.000 0.820 69 V HN 0.988 nan 8.190 nan 0.000 0.444 70 A N -0.259 122.417 122.820 -0.240 0.000 2.577 70 A HA 0.804 5.124 4.320 -0.000 0.000 0.297 70 A C -0.707 176.776 177.584 -0.168 0.000 1.060 70 A CA 0.315 52.249 52.037 -0.171 0.000 0.697 70 A CB 1.577 20.498 19.000 -0.132 0.000 1.281 70 A HN 0.918 nan 8.150 nan 0.000 0.402 71 S N 2.116 117.744 115.700 -0.120 0.000 2.649 71 S HA 0.492 4.961 4.470 -0.000 0.000 0.274 71 S C -0.543 174.022 174.600 -0.059 0.000 1.176 71 S CA -0.443 57.702 58.200 -0.092 0.000 0.988 71 S CB 0.363 63.504 63.200 -0.098 0.000 1.071 71 S HN 1.091 nan 8.310 nan 0.000 0.478 72 N N 3.246 121.920 118.700 -0.043 0.000 2.678 72 N HA -0.214 4.526 4.740 -0.000 0.000 0.268 72 N C 0.975 176.461 175.510 -0.039 0.000 1.010 72 N CA 1.583 54.612 53.050 -0.035 0.000 0.784 72 N CB -1.323 37.149 38.487 -0.024 0.000 0.905 72 N HN 1.628 nan 8.380 nan 0.000 0.552 73 G N -0.842 107.930 108.800 -0.047 0.000 2.179 73 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.260 73 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.260 73 G C 0.013 174.887 174.900 -0.043 0.000 0.977 73 G CA 0.871 45.944 45.100 -0.046 0.000 0.641 73 G HN 0.663 nan 8.290 nan 0.000 0.533 74 K N 0.107 120.477 120.400 -0.050 0.000 2.244 74 K HA 0.672 4.992 4.320 -0.000 0.000 0.260 74 K C -0.572 175.988 176.600 -0.066 0.000 0.951 74 K CA -1.131 55.125 56.287 -0.052 0.000 0.826 74 K CB 1.031 33.501 32.500 -0.049 0.000 1.108 74 K HN 0.088 nan 8.250 nan 0.000 0.433 75 L N 6.823 128.009 121.223 -0.063 0.000 2.278 75 L HA 0.176 4.516 4.340 -0.000 0.000 0.287 75 L C 0.509 177.328 176.870 -0.085 0.000 1.072 75 L CA 0.096 54.890 54.840 -0.077 0.000 0.819 75 L CB 0.679 42.700 42.059 -0.062 0.000 1.176 75 L HN 0.781 nan 8.230 nan 0.000 0.435 76 I N 4.849 125.352 120.570 -0.112 0.000 2.628 76 I HA 0.121 4.291 4.170 -0.000 0.000 0.255 76 I C 0.375 176.423 176.117 -0.116 0.000 1.119 76 I CA 0.745 61.978 61.300 -0.111 0.000 1.448 76 I CB -0.118 37.803 38.000 -0.133 0.000 1.133 76 I HN 0.237 nan 8.210 nan 0.000 0.438 77 V N 3.733 123.555 119.914 -0.152 0.000 2.376 77 V HA 0.339 4.459 4.120 -0.000 0.000 0.287 77 V C -2.370 173.627 176.094 -0.161 0.000 1.015 77 V CA -1.531 60.673 62.300 -0.159 0.000 0.834 77 V CB 1.695 33.392 31.823 -0.211 0.000 1.001 77 V HN 0.024 nan 8.190 nan 0.000 0.428 78 P HA 0.202 nan 4.420 nan 0.000 0.272 78 P C -1.885 175.355 177.300 -0.101 0.000 1.230 78 P CA -1.402 61.642 63.100 -0.093 0.000 0.788 78 P CB 0.272 31.934 31.700 -0.064 0.000 0.949 79 P HA -0.241 nan 4.420 nan 0.000 0.216 79 P C 1.229 178.496 177.300 -0.054 0.000 1.153 79 P CA 1.798 64.861 63.100 -0.061 0.000 0.858 79 P CB -0.221 31.466 31.700 -0.021 0.000 0.789 80 E N 0.073 120.246 120.200 -0.046 0.000 2.333 80 E HA -0.184 4.166 4.350 -0.000 0.000 0.198 80 E C 0.580 177.152 176.600 -0.048 0.000 1.007 80 E CA 1.147 57.521 56.400 -0.042 0.000 0.845 80 E CB -0.874 28.802 29.700 -0.039 0.000 0.766 80 E HN 0.247 nan 8.360 nan 0.000 0.507 81 D N 0.547 120.908 120.400 -0.065 0.000 2.363 81 D HA 0.119 4.759 4.640 -0.000 0.000 0.214 81 D C 1.268 177.519 176.300 -0.082 0.000 1.093 81 D CA -0.021 53.938 54.000 -0.068 0.000 0.837 81 D CB 0.158 40.913 40.800 -0.075 0.000 0.948 81 D HN 0.199 nan 8.370 nan 0.000 0.507 82 R N 0.685 121.131 120.500 -0.090 0.000 2.312 82 R HA 0.135 4.475 4.340 -0.000 0.000 0.205 82 R C 0.053 176.377 176.300 0.040 0.000 0.904 82 R CA -0.033 56.004 56.100 -0.105 0.000 1.052 82 R CB 0.400 30.578 30.300 -0.204 0.000 1.014 82 R HN -0.067 nan 8.270 nan 0.000 0.503 83 K N 0.999 121.416 120.400 0.029 0.000 3.372 83 K HA -0.160 4.160 4.320 -0.000 0.000 0.272 83 K C -0.889 175.757 176.600 0.076 0.000 1.037 83 K CA 0.599 56.915 56.287 0.048 0.000 0.777 83 K CB -1.483 31.052 32.500 0.058 0.000 1.347 83 K HN 0.249 nan 8.250 nan 0.000 0.460 84 I N -0.101 120.503 120.570 0.057 0.000 2.608 84 I HA 0.457 4.627 4.170 -0.000 0.000 0.295 84 I C 0.756 176.877 176.117 0.006 0.000 1.049 84 I CA -0.908 60.428 61.300 0.060 0.000 1.063 84 I CB 2.250 40.308 38.000 0.097 0.000 1.248 84 I HN 0.229 nan 8.210 nan 0.000 0.424 85 G N 5.555 114.350 108.800 -0.009 0.000 2.452 85 G HA2 0.803 4.763 3.960 -0.000 0.000 0.324 85 G HA3 0.803 4.763 3.960 -0.000 0.000 0.324 85 G C -1.008 173.838 174.900 -0.089 0.000 1.214 85 G CA -0.571 44.498 45.100 -0.051 0.000 0.947 85 G HN 0.437 nan 8.290 nan 0.000 0.478 86 M N 1.424 120.916 119.600 -0.180 0.000 2.393 86 M HA 0.444 4.924 4.480 -0.000 0.000 0.299 86 M C -1.077 175.006 176.300 -0.362 0.000 1.103 86 M CA -0.844 54.248 55.300 -0.346 0.000 0.910 86 M CB 3.043 35.211 32.600 -0.721 0.000 1.659 86 M HN 0.167 nan 8.290 nan 0.000 0.445 87 V N 3.865 123.613 119.914 -0.276 0.000 2.419 87 V HA 0.495 4.615 4.120 -0.000 0.000 0.287 87 V C -1.064 175.091 176.094 0.101 0.000 1.017 87 V CA -0.537 61.639 62.300 -0.208 0.000 0.844 87 V CB 1.027 32.657 31.823 -0.322 0.000 1.011 87 V HN 0.600 nan 8.190 nan 0.000 0.429 88 F N 1.810 121.817 119.950 0.095 0.000 2.440 88 F HA 0.423 4.950 4.527 -0.000 0.000 0.328 88 F C 1.622 177.584 175.800 0.269 0.000 1.070 88 F CA -1.191 56.891 58.000 0.136 0.000 1.011 88 F CB 1.464 40.530 39.000 0.111 0.000 1.226 88 F HN 0.529 nan 8.300 nan 0.000 0.491 89 Q N 0.276 120.297 119.800 0.370 0.000 2.217 89 Q HA -0.216 4.124 4.340 -0.000 0.000 0.209 89 Q C 1.407 177.528 176.000 0.203 0.000 0.988 89 Q CA 2.565 58.531 55.803 0.272 0.000 0.878 89 Q CB 0.022 28.841 28.738 0.135 0.000 0.909 89 Q HN 0.882 nan 8.270 nan 0.000 0.424 90 T N -1.679 112.988 114.554 0.187 0.000 3.100 90 T HA -0.025 4.324 4.350 -0.000 0.000 0.253 90 T C 0.813 175.508 174.700 -0.007 0.000 1.118 90 T CA -0.184 61.943 62.100 0.046 0.000 1.058 90 T CB -0.586 68.319 68.868 0.062 0.000 0.953 90 T HN 0.459 nan 8.240 nan 0.000 0.515 91 W N 2.283 123.617 121.300 0.056 0.000 2.579 91 W HA 0.342 5.002 4.660 -0.000 0.000 0.335 91 W C -0.662 175.841 176.519 -0.027 0.000 1.143 91 W CA -0.563 56.786 57.345 0.006 0.000 1.323 91 W CB -0.463 29.000 29.460 0.006 0.000 1.161 91 W HN 0.363 nan 8.180 nan 0.000 0.567 92 A N 5.205 128.026 122.820 0.001 0.000 2.566 92 A HA 0.632 4.952 4.320 -0.000 0.000 0.297 92 A C -1.212 176.371 177.584 -0.001 0.000 1.059 92 A CA -1.093 50.797 52.037 -0.246 0.000 0.691 92 A CB 1.008 19.818 19.000 -0.317 0.000 1.282 92 A HN 0.675 nan 8.150 nan 0.000 0.401 93 L N 1.372 122.629 121.223 0.057 0.000 2.395 93 L HA 0.303 4.643 4.340 -0.000 0.000 0.269 93 L C -0.609 176.260 176.870 -0.002 0.000 1.133 93 L CA -0.551 54.361 54.840 0.120 0.000 0.812 93 L CB 0.544 42.725 42.059 0.203 0.000 1.125 93 L HN 0.738 nan 8.230 nan 0.000 0.452 94 Y N 3.552 123.848 120.300 -0.008 0.000 2.650 94 Y HA 0.040 4.590 4.550 -0.000 0.000 0.342 94 Y C -1.183 174.734 175.900 0.028 0.000 1.110 94 Y CA -1.302 56.776 58.100 -0.038 0.000 1.438 94 Y CB 0.186 38.578 38.460 -0.112 0.000 1.181 94 Y HN 0.445 nan 8.280 nan 0.000 0.526 95 P HA -0.158 nan 4.420 nan 0.000 0.220 95 P C 0.287 177.692 177.300 0.175 0.000 1.148 95 P CA 1.409 64.581 63.100 0.121 0.000 0.803 95 P CB 0.493 32.215 31.700 0.036 0.000 0.782 96 N N -0.623 118.184 118.700 0.178 0.000 2.235 96 N HA 0.165 4.905 4.740 -0.000 0.000 0.209 96 N C 0.259 175.978 175.510 0.349 0.000 1.122 96 N CA 0.152 53.305 53.050 0.172 0.000 0.845 96 N CB 0.575 39.102 38.487 0.066 0.000 1.004 96 N HN 0.259 nan 8.380 nan 0.000 0.499 97 L N 0.832 122.260 121.223 0.341 0.000 2.334 97 L HA 0.331 4.671 4.340 -0.000 0.000 0.276 97 L C 0.982 177.934 176.870 0.137 0.000 1.014 97 L CA -0.664 54.310 54.840 0.223 0.000 0.815 97 L CB 1.829 43.933 42.059 0.075 0.000 1.268 97 L HN 0.020 nan 8.230 nan 0.000 0.428 98 T N -0.955 113.506 114.554 -0.154 0.000 2.667 98 T HA 0.203 4.553 4.350 -0.000 0.000 0.305 98 T C 1.281 175.938 174.700 -0.071 0.000 1.022 98 T CA 0.125 62.001 62.100 -0.373 0.000 0.995 98 T CB 1.045 69.659 68.868 -0.424 0.000 1.026 98 T HN 0.664 nan 8.240 nan 0.000 0.527 99 A N 0.411 123.200 122.820 -0.051 0.000 1.877 99 A HA 0.028 4.348 4.320 -0.000 0.000 0.216 99 A C 2.021 179.624 177.584 0.031 0.000 1.186 99 A CA 1.675 53.717 52.037 0.007 0.000 0.620 99 A CB -1.377 17.614 19.000 -0.015 0.000 0.822 99 A HN 0.886 nan 8.150 nan 0.000 0.443 100 F N 0.902 120.798 119.950 -0.089 0.000 2.043 100 F HA -0.258 4.269 4.527 -0.000 0.000 0.297 100 F C 2.307 178.090 175.800 -0.028 0.000 1.121 100 F CA 2.517 60.477 58.000 -0.066 0.000 1.199 100 F CB -0.316 38.633 39.000 -0.085 0.000 0.968 100 F HN 0.375 nan 8.300 nan 0.000 0.478 101 E N -0.117 120.225 120.200 0.238 0.000 2.118 101 E HA -0.245 4.105 4.350 -0.000 0.000 0.195 101 E C 2.027 178.664 176.600 0.062 0.000 0.992 101 E CA 1.218 57.712 56.400 0.157 0.000 0.804 101 E CB -0.334 29.442 29.700 0.126 0.000 0.741 101 E HN 0.503 nan 8.360 nan 0.000 0.458 102 N N 0.648 119.377 118.700 0.049 0.000 2.106 102 N HA -0.119 4.621 4.740 -0.000 0.000 0.188 102 N C 1.959 177.508 175.510 0.065 0.000 1.029 102 N CA 1.022 54.118 53.050 0.078 0.000 0.848 102 N CB -0.047 38.505 38.487 0.108 0.000 1.007 102 N HN 0.177 nan 8.380 nan 0.000 0.423 103 I N 1.043 121.593 120.570 -0.033 0.000 2.394 103 I HA -0.159 4.011 4.170 -0.000 0.000 0.251 103 I C 2.268 178.312 176.117 -0.122 0.000 1.136 103 I CA 0.651 61.899 61.300 -0.086 0.000 1.425 103 I CB -0.182 37.723 38.000 -0.158 0.000 1.079 103 I HN 0.041 nan 8.210 nan 0.000 0.425 104 A N 0.300 123.001 122.820 -0.198 0.000 2.067 104 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 104 A C 2.101 179.671 177.584 -0.024 0.000 1.156 104 A CA 0.461 52.386 52.037 -0.188 0.000 0.683 104 A CB -0.723 18.100 19.000 -0.295 0.000 0.808 104 A HN 0.386 nan 8.150 nan 0.000 0.455 105 F N 1.827 121.720 119.950 -0.096 0.000 2.063 105 F HA -0.159 4.368 4.527 -0.000 0.000 0.298 105 F C -0.767 175.003 175.800 -0.050 0.000 1.109 105 F CA 2.362 60.318 58.000 -0.073 0.000 1.212 105 F CB -1.227 37.731 39.000 -0.071 0.000 0.973 105 F HN 0.183 nan 8.300 nan 0.000 0.480 106 P HA -0.146 nan 4.420 nan 0.000 0.223 106 P C 1.519 178.721 177.300 -0.163 0.000 1.144 106 P CA 1.429 64.452 63.100 -0.128 0.000 0.783 106 P CB -0.197 31.491 31.700 -0.019 0.000 0.771 107 L N -2.242 118.895 121.223 -0.143 0.000 2.591 107 L HA 0.037 4.376 4.340 -0.000 0.000 0.228 107 L C 1.911 178.701 176.870 -0.133 0.000 1.133 107 L CA 0.464 55.234 54.840 -0.117 0.000 0.880 107 L CB -1.144 40.863 42.059 -0.087 0.000 1.033 107 L HN -0.015 nan 8.230 nan 0.000 0.450 108 T N 0.533 114.960 114.554 -0.211 0.000 2.624 108 T HA -0.189 4.160 4.350 -0.000 0.000 0.268 108 T C 1.243 175.857 174.700 -0.143 0.000 1.041 108 T CA 1.734 63.712 62.100 -0.203 0.000 1.159 108 T CB -0.169 68.482 68.868 -0.361 0.000 0.863 108 T HN 0.313 nan 8.240 nan 0.000 0.434 109 N N 0.236 118.847 118.700 -0.149 0.000 2.279 109 N HA 0.227 4.967 4.740 -0.000 0.000 0.226 109 N C 0.371 175.835 175.510 -0.076 0.000 1.126 109 N CA -0.007 52.982 53.050 -0.101 0.000 0.846 109 N CB 0.335 38.762 38.487 -0.101 0.000 1.050 109 N HN 0.250 nan 8.380 nan 0.000 0.502 110 M N -0.130 119.425 119.600 -0.074 0.000 2.505 110 M HA 0.170 4.650 4.480 -0.000 0.000 0.230 110 M C 0.094 176.370 176.300 -0.040 0.000 1.153 110 M CA 0.083 55.350 55.300 -0.055 0.000 0.997 110 M CB -0.745 31.820 32.600 -0.057 0.000 1.606 110 M HN 0.006 nan 8.290 nan 0.000 0.481 111 K N 0.473 120.850 120.400 -0.038 0.000 3.096 111 K HA -0.170 4.150 4.320 -0.000 0.000 0.266 111 K C -0.570 176.018 176.600 -0.020 0.000 1.043 111 K CA 0.613 56.885 56.287 -0.026 0.000 0.758 111 K CB -1.457 31.029 32.500 -0.023 0.000 1.260 111 K HN 0.383 nan 8.250 nan 0.000 0.481 112 M N 0.464 120.052 119.600 -0.021 0.000 2.436 112 M HA 0.221 4.701 4.480 -0.000 0.000 0.331 112 M C 0.728 177.026 176.300 -0.003 0.000 1.135 112 M CA -0.667 54.626 55.300 -0.011 0.000 0.987 112 M CB 1.916 34.507 32.600 -0.014 0.000 1.687 112 M HN 0.220 nan 8.290 nan 0.000 0.445 113 S N 1.647 117.350 115.700 0.004 0.000 2.608 113 S HA 0.247 4.717 4.470 -0.000 0.000 0.261 113 S C 0.750 175.364 174.600 0.024 0.000 1.314 113 S CA -0.505 57.702 58.200 0.011 0.000 0.992 113 S CB 0.961 64.167 63.200 0.011 0.000 0.935 113 S HN 0.774 nan 8.310 nan 0.000 0.564 114 K N 0.366 120.784 120.400 0.029 0.000 2.103 114 K HA -0.112 4.208 4.320 -0.000 0.000 0.207 114 K C 2.055 178.693 176.600 0.064 0.000 1.048 114 K CA 1.507 57.824 56.287 0.050 0.000 0.930 114 K CB -0.148 32.375 32.500 0.038 0.000 0.716 114 K HN 0.563 nan 8.250 nan 0.000 0.444 115 E N 0.969 121.196 120.200 0.045 0.000 2.106 115 E HA -0.154 4.195 4.350 -0.000 0.000 0.192 115 E C 1.811 178.442 176.600 0.052 0.000 0.984 115 E CA 1.115 57.544 56.400 0.048 0.000 0.806 115 E CB 0.082 29.801 29.700 0.032 0.000 0.750 115 E HN 0.367 nan 8.360 nan 0.000 0.458 116 E N 0.250 120.472 120.200 0.037 0.000 2.106 116 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 116 E C 2.199 178.818 176.600 0.032 0.000 0.984 116 E CA 0.560 56.977 56.400 0.028 0.000 0.806 116 E CB -0.034 29.675 29.700 0.014 0.000 0.750 116 E HN 0.226 nan 8.360 nan 0.000 0.458 117 I N 0.712 121.308 120.570 0.043 0.000 2.163 117 I HA -0.271 3.899 4.170 -0.000 0.000 0.240 117 I C 2.729 178.891 176.117 0.075 0.000 1.081 117 I CA 0.994 62.316 61.300 0.037 0.000 1.353 117 I CB -0.213 37.821 38.000 0.057 0.000 1.054 117 I HN 0.029 nan 8.210 nan 0.000 0.407 118 R N 1.482 122.095 120.500 0.189 0.000 2.083 118 R HA -0.228 4.112 4.340 -0.000 0.000 0.237 118 R C 2.279 178.689 176.300 0.183 0.000 1.137 118 R CA 1.795 58.081 56.100 0.309 0.000 0.951 118 R CB -0.114 30.331 30.300 0.242 0.000 0.851 118 R HN 0.273 nan 8.270 nan 0.000 0.434 119 K N -0.279 120.187 120.400 0.110 0.000 2.032 119 K HA -0.209 4.111 4.320 -0.000 0.000 0.209 119 K C 2.286 178.919 176.600 0.055 0.000 1.048 119 K CA 1.682 58.017 56.287 0.080 0.000 0.927 119 K CB -0.206 32.325 32.500 0.052 0.000 0.712 119 K HN 0.010 nan 8.250 nan 0.000 0.441 120 R N 1.182 121.697 120.500 0.025 0.000 2.073 120 R HA -0.099 4.241 4.340 -0.000 0.000 0.234 120 R C 1.969 178.252 176.300 -0.028 0.000 1.134 120 R CA 1.338 57.435 56.100 -0.006 0.000 0.952 120 R CB -0.725 29.560 30.300 -0.025 0.000 0.850 120 R HN -0.016 nan 8.270 nan 0.000 0.433 121 V N 1.087 120.956 119.914 -0.076 0.000 2.295 121 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 121 V C 2.103 178.188 176.094 -0.016 0.000 1.049 121 V CA 2.283 64.486 62.300 -0.162 0.000 1.024 121 V CB -0.515 30.986 31.823 -0.537 0.000 0.648 121 V HN 0.432 nan 8.190 nan 0.000 0.447 122 E N -0.352 119.912 120.200 0.105 0.000 2.106 122 E HA -0.227 4.122 4.350 -0.000 0.000 0.192 122 E C 2.271 178.983 176.600 0.187 0.000 0.984 122 E CA 1.226 57.773 56.400 0.245 0.000 0.806 122 E CB -0.104 29.791 29.700 0.324 0.000 0.750 122 E HN 0.675 nan 8.360 nan 0.000 0.458 123 E N 0.373 120.626 120.200 0.089 0.000 2.031 123 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 123 E C 2.222 178.844 176.600 0.036 0.000 0.994 123 E CA 1.067 57.494 56.400 0.045 0.000 0.800 123 E CB -0.063 29.651 29.700 0.023 0.000 0.752 123 E HN 0.057 nan 8.360 nan 0.000 0.447 124 V N 0.790 120.716 119.914 0.021 0.000 2.427 124 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 124 V C 2.096 178.206 176.094 0.026 0.000 1.051 124 V CA 1.879 64.184 62.300 0.008 0.000 1.048 124 V CB -0.264 31.548 31.823 -0.018 0.000 0.666 124 V HN 0.337 nan 8.190 nan 0.000 0.456 125 A N -0.215 122.637 122.820 0.053 0.000 1.902 125 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 125 A C 2.221 179.881 177.584 0.127 0.000 1.181 125 A CA 2.099 54.187 52.037 0.084 0.000 0.623 125 A CB -0.503 18.563 19.000 0.111 0.000 0.818 125 A HN 0.614 nan 8.150 nan 0.000 0.443 126 K N -0.402 120.078 120.400 0.132 0.000 2.057 126 K HA -0.056 4.264 4.320 -0.000 0.000 0.207 126 K C 1.810 178.435 176.600 0.043 0.000 1.049 126 K CA 1.524 57.855 56.287 0.073 0.000 0.931 126 K CB -0.409 32.084 32.500 -0.013 0.000 0.714 126 K HN 0.533 nan 8.250 nan 0.000 0.440 127 I N 1.095 121.682 120.570 0.030 0.000 2.208 127 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 127 I C 1.726 177.856 176.117 0.022 0.000 1.097 127 I CA 0.944 62.254 61.300 0.017 0.000 1.363 127 I CB -0.159 37.846 38.000 0.009 0.000 1.051 127 I HN 0.146 nan 8.210 nan 0.000 0.413 128 L N -0.023 121.217 121.223 0.028 0.000 2.591 128 L HA 0.010 4.350 4.340 -0.000 0.000 0.228 128 L C 0.398 177.298 176.870 0.050 0.000 1.133 128 L CA 0.788 55.644 54.840 0.027 0.000 0.880 128 L CB -1.497 40.568 42.059 0.010 0.000 1.033 128 L HN 0.331 nan 8.230 nan 0.000 0.450 129 D N 0.802 121.246 120.400 0.074 0.000 2.723 129 D HA -0.246 4.394 4.640 -0.000 0.000 0.236 129 D C 0.725 177.147 176.300 0.204 0.000 1.138 129 D CA 0.773 54.845 54.000 0.121 0.000 0.676 129 D CB -0.998 39.852 40.800 0.082 0.000 1.069 129 D HN 0.581 nan 8.370 nan 0.000 0.430 130 I N -3.861 116.800 120.570 0.152 0.000 3.994 130 I HA 0.232 4.402 4.170 -0.000 0.000 0.323 130 I C 1.621 177.745 176.117 0.011 0.000 1.501 130 I CA -0.845 60.464 61.300 0.016 0.000 1.112 130 I CB 0.198 38.166 38.000 -0.054 0.000 1.254 130 I HN 0.015 nan 8.210 nan 0.000 0.495 131 H N 3.562 122.693 119.070 0.102 0.000 2.387 131 H HA -0.219 4.337 4.556 -0.000 0.000 0.299 131 H C 1.815 177.192 175.328 0.082 0.000 1.099 131 H CA 2.485 58.587 56.048 0.091 0.000 1.315 131 H CB -0.026 29.799 29.762 0.104 0.000 1.380 131 H HN 0.692 nan 8.280 nan 0.000 0.513 132 H N 0.285 119.395 119.070 0.068 0.000 2.559 132 H HA 0.012 4.568 4.556 -0.000 0.000 0.273 132 H C 1.456 176.720 175.328 -0.107 0.000 1.000 132 H CA 1.110 57.163 56.048 0.009 0.000 1.195 132 H CB -0.773 29.011 29.762 0.036 0.000 1.368 132 H HN 0.319 nan 8.280 nan 0.000 0.592 133 V N -1.933 117.635 119.914 -0.578 0.000 2.988 133 V HA 0.231 4.351 4.120 -0.000 0.000 0.356 133 V C 1.706 177.611 176.094 -0.314 0.000 1.380 133 V CA -0.357 61.536 62.300 -0.678 0.000 1.184 133 V CB -0.495 30.725 31.823 -1.005 0.000 1.204 133 V HN 0.123 nan 8.190 nan 0.000 0.530 134 L N 1.961 123.074 121.223 -0.183 0.000 2.191 134 L HA -0.093 4.247 4.340 -0.000 0.000 0.212 134 L C 2.577 179.434 176.870 -0.022 0.000 1.103 134 L CA 1.934 56.733 54.840 -0.068 0.000 0.769 134 L CB -0.348 41.686 42.059 -0.040 0.000 0.908 134 L HN 0.714 nan 8.230 nan 0.000 0.438 135 N N -1.749 116.944 118.700 -0.011 0.000 2.461 135 N HA -0.106 4.634 4.740 -0.000 0.000 0.188 135 N C 0.426 175.884 175.510 -0.087 0.000 1.134 135 N CA 0.251 53.269 53.050 -0.054 0.000 0.878 135 N CB -0.406 38.059 38.487 -0.036 0.000 0.972 135 N HN 0.386 nan 8.380 nan 0.000 0.456 136 H N -0.204 118.751 119.070 -0.192 0.000 2.629 136 H HA 0.131 4.687 4.556 -0.000 0.000 0.357 136 H C -0.344 174.843 175.328 -0.234 0.000 1.121 136 H CA -0.464 55.496 56.048 -0.147 0.000 1.406 136 H CB 0.663 30.391 29.762 -0.056 0.000 1.456 136 H HN -0.044 nan 8.280 nan 0.000 0.579 137 F N 1.825 121.833 119.950 0.096 0.000 2.380 137 F HA 0.114 4.641 4.527 -0.000 0.000 0.325 137 F C -1.166 174.689 175.800 0.093 0.000 1.136 137 F CA -2.167 55.879 58.000 0.076 0.000 1.171 137 F CB 0.359 39.381 39.000 0.036 0.000 1.230 137 F HN 0.453 nan 8.300 nan 0.000 0.554 138 P HA -0.210 nan 4.420 nan 0.000 0.216 138 P C 1.248 178.644 177.300 0.159 0.000 1.150 138 P CA 1.854 65.064 63.100 0.183 0.000 0.843 138 P CB -0.074 31.723 31.700 0.162 0.000 0.787 139 R N 0.439 121.033 120.500 0.157 0.000 2.237 139 R HA -0.059 4.281 4.340 -0.000 0.000 0.219 139 R C 1.311 177.678 176.300 0.112 0.000 1.080 139 R CA 1.299 57.461 56.100 0.104 0.000 0.995 139 R CB -0.966 29.371 30.300 0.062 0.000 0.875 139 R HN 0.239 nan 8.270 nan 0.000 0.462 140 E N 0.924 121.219 120.200 0.159 0.000 2.489 140 E HA 0.163 4.513 4.350 -0.000 0.000 0.193 140 E C -0.067 176.659 176.600 0.211 0.000 1.057 140 E CA -0.082 56.415 56.400 0.161 0.000 0.866 140 E CB 0.241 30.018 29.700 0.129 0.000 0.916 140 E HN 0.317 nan 8.360 nan 0.000 0.500 141 L N 0.988 122.310 121.223 0.165 0.000 2.334 141 L HA 0.269 4.609 4.340 -0.000 0.000 0.272 141 L C 0.657 177.586 176.870 0.097 0.000 1.020 141 L CA -0.936 53.978 54.840 0.123 0.000 0.812 141 L CB 1.598 43.715 42.059 0.097 0.000 1.264 141 L HN -0.019 nan 8.230 nan 0.000 0.439 142 S N 0.356 116.102 115.700 0.077 0.000 2.600 142 S HA 0.173 4.643 4.470 -0.000 0.000 0.265 142 S C 1.221 175.872 174.600 0.085 0.000 1.325 142 S CA -0.117 58.127 58.200 0.073 0.000 1.002 142 S CB 1.310 64.547 63.200 0.062 0.000 0.921 142 S HN 0.797 nan 8.310 nan 0.000 0.554 143 G N 0.786 109.638 108.800 0.087 0.000 2.440 143 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.218 143 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.218 143 G C 1.347 176.317 174.900 0.117 0.000 1.154 143 G CA 0.655 45.823 45.100 0.113 0.000 0.767 143 G HN 1.023 nan 8.290 nan 0.000 0.552 144 G N 0.064 108.915 108.800 0.085 0.000 2.418 144 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.217 144 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.217 144 G C 1.802 176.738 174.900 0.061 0.000 1.158 144 G CA 1.041 46.183 45.100 0.070 0.000 0.771 144 G HN 0.514 nan 8.290 nan 0.000 0.545 145 Q N -0.244 119.589 119.800 0.056 0.000 2.119 145 Q HA -0.085 4.255 4.340 -0.000 0.000 0.201 145 Q C 2.768 178.798 176.000 0.050 0.000 0.972 145 Q CA 1.173 56.995 55.803 0.032 0.000 0.847 145 Q CB -0.125 28.615 28.738 0.004 0.000 0.903 145 Q HN 0.590 nan 8.270 nan 0.000 0.433 146 Q N 0.064 119.925 119.800 0.103 0.000 2.061 146 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 146 Q C 2.208 178.281 176.000 0.121 0.000 0.984 146 Q CA 1.047 56.953 55.803 0.171 0.000 0.846 146 Q CB -0.025 28.873 28.738 0.267 0.000 0.902 146 Q HN 0.341 nan 8.270 nan 0.000 0.421 147 Q N 0.525 120.370 119.800 0.075 0.000 2.124 147 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 147 Q C 2.019 177.949 176.000 -0.116 0.000 0.977 147 Q CA 1.335 57.077 55.803 -0.101 0.000 0.850 147 Q CB -0.197 28.535 28.738 -0.010 0.000 0.901 147 Q HN 0.349 nan 8.270 nan 0.000 0.429 148 R N -0.261 120.218 120.500 -0.036 0.000 2.096 148 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 148 R C 2.404 178.676 176.300 -0.047 0.000 1.127 148 R CA 1.109 57.189 56.100 -0.033 0.000 0.968 148 R CB -0.235 30.063 30.300 -0.003 0.000 0.861 148 R HN 0.049 nan 8.270 nan 0.000 0.440 149 V N 0.702 120.597 119.914 -0.032 0.000 2.358 149 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 149 V C 2.358 178.422 176.094 -0.049 0.000 1.047 149 V CA 1.913 64.200 62.300 -0.021 0.000 1.035 149 V CB -0.582 31.256 31.823 0.025 0.000 0.658 149 V HN 0.410 nan 8.190 nan 0.000 0.452 150 A N -0.499 122.249 122.820 -0.119 0.000 1.933 150 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 150 A C 2.233 179.691 177.584 -0.210 0.000 1.175 150 A CA 1.655 53.558 52.037 -0.224 0.000 0.628 150 A CB -0.468 18.129 19.000 -0.672 0.000 0.814 150 A HN 0.489 nan 8.150 nan 0.000 0.444 151 L N -0.950 120.157 121.223 -0.192 0.000 2.056 151 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 151 L C 3.128 179.946 176.870 -0.088 0.000 1.078 151 L CA 0.991 55.748 54.840 -0.138 0.000 0.749 151 L CB -0.493 41.504 42.059 -0.103 0.000 0.901 151 L HN 0.444 nan 8.230 nan 0.000 0.433 152 A N 0.008 122.787 122.820 -0.068 0.000 1.908 152 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 152 A C 2.399 179.950 177.584 -0.054 0.000 1.181 152 A CA 1.983 53.989 52.037 -0.051 0.000 0.627 152 A CB -0.636 18.338 19.000 -0.042 0.000 0.818 152 A HN 0.373 nan 8.150 nan 0.000 0.445 153 R N -0.416 120.053 120.500 -0.052 0.000 2.081 153 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 153 R C 2.184 178.460 176.300 -0.040 0.000 1.131 153 R CA 1.436 57.517 56.100 -0.031 0.000 0.960 153 R CB -0.386 29.917 30.300 0.005 0.000 0.856 153 R HN 0.435 nan 8.270 nan 0.000 0.436 154 A N 0.383 123.162 122.820 -0.067 0.000 2.067 154 A HA -0.010 4.310 4.320 -0.000 0.000 0.219 154 A C 1.792 179.342 177.584 -0.056 0.000 1.158 154 A CA 0.826 52.818 52.037 -0.075 0.000 0.661 154 A CB -0.053 18.881 19.000 -0.111 0.000 0.801 154 A HN 0.358 nan 8.150 nan 0.000 0.452 155 L N -1.255 119.939 121.223 -0.049 0.000 2.693 155 L HA 0.140 4.480 4.340 -0.000 0.000 0.235 155 L C 1.899 178.748 176.870 -0.034 0.000 1.127 155 L CA -0.096 54.722 54.840 -0.037 0.000 0.914 155 L CB 0.476 42.515 42.059 -0.033 0.000 1.193 155 L HN 0.196 nan 8.230 nan 0.000 0.502 156 V N 0.503 120.393 119.914 -0.041 0.000 2.626 156 V HA -0.200 3.920 4.120 -0.000 0.000 0.252 156 V C 1.766 177.836 176.094 -0.040 0.000 1.067 156 V CA 1.779 64.050 62.300 -0.047 0.000 1.081 156 V CB -0.138 31.646 31.823 -0.064 0.000 0.686 156 V HN 0.434 nan 8.190 nan 0.000 0.468 157 K N 0.164 120.544 120.400 -0.035 0.000 2.520 157 K HA 0.120 4.440 4.320 -0.000 0.000 0.205 157 K C 0.362 176.950 176.600 -0.019 0.000 1.035 157 K CA 0.504 56.773 56.287 -0.029 0.000 1.188 157 K CB -0.030 32.452 32.500 -0.031 0.000 0.894 157 K HN 0.435 nan 8.250 nan 0.000 0.497 158 D N 1.315 121.705 120.400 -0.017 0.000 2.737 158 D HA -0.105 4.535 4.640 -0.000 0.000 0.238 158 D C -2.410 173.889 176.300 -0.002 0.000 1.157 158 D CA 0.063 54.057 54.000 -0.009 0.000 0.694 158 D CB -0.114 40.681 40.800 -0.007 0.000 1.021 158 D HN 0.188 nan 8.370 nan 0.000 0.420 159 P HA 0.186 nan 4.420 nan 0.000 0.274 159 P C 0.296 177.606 177.300 0.016 0.000 1.246 159 P CA -0.413 62.694 63.100 0.011 0.000 0.795 159 P CB 1.103 32.808 31.700 0.008 0.000 1.006 160 S N -0.626 115.093 115.700 0.031 0.000 2.503 160 S HA 0.123 4.593 4.470 -0.000 0.000 0.215 160 S C 0.547 175.152 174.600 0.009 0.000 1.003 160 S CA 0.147 58.361 58.200 0.023 0.000 0.910 160 S CB -0.246 62.976 63.200 0.038 0.000 0.790 160 S HN 0.385 nan 8.310 nan 0.000 0.514 161 L N 1.548 122.784 121.223 0.021 0.000 2.410 161 L HA 0.714 5.054 4.340 -0.000 0.000 0.270 161 L C -1.469 175.412 176.870 0.018 0.000 0.983 161 L CA -0.866 53.977 54.840 0.006 0.000 0.822 161 L CB 1.779 43.835 42.059 -0.005 0.000 1.285 161 L HN 0.056 nan 8.230 nan 0.000 0.409 162 L N 5.643 126.874 121.223 0.013 0.000 2.333 162 L HA 0.665 5.005 4.340 -0.000 0.000 0.280 162 L C -1.594 175.298 176.870 0.037 0.000 1.004 162 L CA -0.192 54.655 54.840 0.012 0.000 0.820 162 L CB 1.484 43.542 42.059 -0.002 0.000 1.247 162 L HN 0.607 nan 8.230 nan 0.000 0.416 163 L N 6.058 127.313 121.223 0.053 0.000 2.313 163 L HA 0.528 4.868 4.340 -0.000 0.000 0.283 163 L C -1.203 175.754 176.870 0.144 0.000 1.013 163 L CA -0.769 54.150 54.840 0.132 0.000 0.816 163 L CB 1.584 43.783 42.059 0.233 0.000 1.236 163 L HN 0.405 nan 8.230 nan 0.000 0.419 164 L N 3.243 124.539 121.223 0.122 0.000 2.343 164 L HA 0.410 4.750 4.340 -0.000 0.000 0.278 164 L C -0.419 176.506 176.870 0.091 0.000 0.996 164 L CA -0.178 54.699 54.840 0.062 0.000 0.831 164 L CB 1.381 43.390 42.059 -0.084 0.000 1.232 164 L HN 0.407 nan 8.230 nan 0.000 0.413 165 D N 4.180 124.682 120.400 0.172 0.000 2.473 165 D HA 0.204 4.844 4.640 -0.000 0.000 0.226 165 D C -0.091 176.239 176.300 0.051 0.000 1.089 165 D CA -0.131 53.911 54.000 0.069 0.000 0.883 165 D CB 0.462 41.209 40.800 -0.087 0.000 1.029 165 D HN 0.575 nan 8.370 nan 0.000 0.517 166 E N 2.489 122.684 120.200 -0.008 0.000 2.210 166 E HA -0.180 4.170 4.350 -0.000 0.000 0.201 166 E C -1.683 174.908 176.600 -0.015 0.000 1.339 166 E CA 0.097 56.495 56.400 -0.003 0.000 0.699 166 E CB -0.404 29.356 29.700 0.101 0.000 1.126 166 E HN 0.534 nan 8.360 nan 0.000 0.355 167 P HA -0.151 nan 4.420 nan 0.000 0.220 167 P C 0.684 177.939 177.300 -0.075 0.000 1.152 167 P CA 1.037 64.011 63.100 -0.210 0.000 0.812 167 P CB -0.035 31.341 31.700 -0.541 0.000 0.792 168 F N 1.384 121.401 119.950 0.112 0.000 2.859 168 F HA 0.094 4.621 4.527 -0.000 0.000 0.315 168 F C 2.048 177.919 175.800 0.118 0.000 1.207 168 F CA -0.214 57.847 58.000 0.101 0.000 1.370 168 F CB -0.663 38.366 39.000 0.049 0.000 1.314 168 F HN 0.029 nan 8.300 nan 0.000 0.555 169 S N -0.835 115.031 115.700 0.277 0.000 2.441 169 S HA -0.108 4.362 4.470 -0.000 0.000 0.224 169 S C 1.590 176.298 174.600 0.179 0.000 1.043 169 S CA 0.176 58.503 58.200 0.211 0.000 0.948 169 S CB -0.289 63.018 63.200 0.178 0.000 0.810 169 S HN 0.453 nan 8.310 nan 0.000 0.504 170 N N 2.156 120.983 118.700 0.212 0.000 2.512 170 N HA 0.073 4.813 4.740 -0.000 0.000 0.183 170 N C 0.877 176.476 175.510 0.149 0.000 1.073 170 N CA 0.948 54.093 53.050 0.158 0.000 0.911 170 N CB -0.615 37.990 38.487 0.197 0.000 0.964 170 N HN 0.534 nan 8.380 nan 0.000 0.447 171 L N 0.808 122.137 121.223 0.176 0.000 2.399 171 L HA 0.388 4.728 4.340 -0.000 0.000 0.265 171 L C 0.610 177.536 176.870 0.093 0.000 1.089 171 L CA -0.691 54.229 54.840 0.133 0.000 0.802 171 L CB 0.170 42.316 42.059 0.145 0.000 1.180 171 L HN -0.114 nan 8.230 nan 0.000 0.454 172 D N 0.520 120.956 120.400 0.059 0.000 2.387 172 D HA 0.613 5.253 4.640 -0.000 0.000 0.264 172 D C 1.370 177.680 176.300 0.018 0.000 1.216 172 D CA 0.835 54.858 54.000 0.038 0.000 1.138 172 D CB 0.590 41.406 40.800 0.026 0.000 1.176 172 D HN 0.652 nan 8.370 nan 0.000 0.522 173 A N -0.809 122.011 122.820 -0.001 0.000 2.013 173 A HA 0.256 4.576 4.320 -0.000 0.000 0.204 173 A C 2.156 179.718 177.584 -0.037 0.000 1.262 173 A CA 1.207 53.230 52.037 -0.023 0.000 0.800 173 A CB -0.684 18.302 19.000 -0.024 0.000 0.909 173 A HN 0.303 nan 8.150 nan 0.000 0.472 174 R N -0.092 120.393 120.500 -0.025 0.000 2.075 174 R HA 0.114 4.454 4.340 -0.000 0.000 0.232 174 R C 1.992 178.273 176.300 -0.031 0.000 1.126 174 R CA 1.817 57.900 56.100 -0.028 0.000 0.963 174 R CB -1.208 29.083 30.300 -0.016 0.000 0.858 174 R HN 0.587 nan 8.270 nan 0.000 0.435 175 M N -0.314 119.277 119.600 -0.016 0.000 2.319 175 M HA 0.013 4.493 4.480 -0.000 0.000 0.265 175 M C 2.506 178.776 176.300 -0.050 0.000 1.068 175 M CA 1.138 56.433 55.300 -0.008 0.000 1.118 175 M CB -0.064 32.555 32.600 0.030 0.000 1.395 175 M HN 0.303 nan 8.290 nan 0.000 0.435 176 R N 0.375 120.828 120.500 -0.079 0.000 2.075 176 R HA -0.119 4.221 4.340 -0.000 0.000 0.232 176 R C 1.542 177.668 176.300 -0.291 0.000 1.126 176 R CA 1.294 57.279 56.100 -0.193 0.000 0.963 176 R CB -0.263 29.956 30.300 -0.136 0.000 0.858 176 R HN 0.338 nan 8.270 nan 0.000 0.435 177 D N -0.006 120.288 120.400 -0.177 0.000 2.097 177 D HA -0.102 4.538 4.640 -0.000 0.000 0.195 177 D C 1.924 178.132 176.300 -0.154 0.000 0.989 177 D CA 1.351 55.255 54.000 -0.160 0.000 0.827 177 D CB -0.217 40.523 40.800 -0.100 0.000 0.966 177 D HN 0.005 nan 8.370 nan 0.000 0.456 178 S N 0.278 115.912 115.700 -0.110 0.000 2.356 178 S HA -0.137 4.333 4.470 -0.000 0.000 0.223 178 S C 2.085 176.636 174.600 -0.082 0.000 1.032 178 S CA 1.180 59.337 58.200 -0.073 0.000 1.005 178 S CB -0.262 62.917 63.200 -0.035 0.000 0.867 178 S HN 0.371 nan 8.310 nan 0.000 0.449 179 A N 1.766 124.515 122.820 -0.118 0.000 1.902 179 A HA -0.124 4.195 4.320 -0.000 0.000 0.217 179 A C 2.147 179.644 177.584 -0.145 0.000 1.181 179 A CA 1.402 53.398 52.037 -0.069 0.000 0.623 179 A CB -0.443 18.566 19.000 0.014 0.000 0.818 179 A HN 0.431 nan 8.150 nan 0.000 0.443 180 R N -0.505 119.715 120.500 -0.465 0.000 2.066 180 R HA -0.023 4.317 4.340 -0.000 0.000 0.232 180 R C 2.518 178.767 176.300 -0.086 0.000 1.131 180 R CA 1.205 57.096 56.100 -0.349 0.000 0.955 180 R CB -0.511 29.531 30.300 -0.430 0.000 0.851 180 R HN 0.489 nan 8.270 nan 0.000 0.432 181 A N 1.350 124.115 122.820 -0.092 0.000 1.908 181 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 181 A C 2.112 179.691 177.584 -0.008 0.000 1.181 181 A CA 1.296 53.309 52.037 -0.040 0.000 0.627 181 A CB -0.528 18.446 19.000 -0.044 0.000 0.818 181 A HN 0.268 nan 8.150 nan 0.000 0.445 182 L N -0.123 121.100 121.223 -0.000 0.000 2.046 182 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 182 L C 2.345 179.239 176.870 0.040 0.000 1.077 182 L CA 1.876 56.728 54.840 0.021 0.000 0.747 182 L CB -0.502 41.573 42.059 0.027 0.000 0.896 182 L HN 0.141 nan 8.230 nan 0.000 0.432 183 V N -0.103 119.858 119.914 0.079 0.000 2.332 183 V HA -0.331 3.789 4.120 -0.000 0.000 0.248 183 V C 2.634 178.763 176.094 0.059 0.000 1.055 183 V CA 2.191 64.548 62.300 0.094 0.000 1.038 183 V CB -0.691 31.248 31.823 0.193 0.000 0.651 183 V HN 0.478 nan 8.190 nan 0.000 0.450 184 K N -0.393 120.037 120.400 0.050 0.000 2.057 184 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 184 K C 2.190 178.803 176.600 0.021 0.000 1.050 184 K CA 1.636 57.943 56.287 0.032 0.000 0.935 184 K CB -0.186 32.328 32.500 0.022 0.000 0.715 184 K HN 0.547 nan 8.250 nan 0.000 0.439 185 E N 0.389 120.599 120.200 0.016 0.000 2.051 185 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 185 E C 2.021 178.627 176.600 0.010 0.000 0.991 185 E CA 1.263 57.669 56.400 0.010 0.000 0.799 185 E CB 0.018 29.723 29.700 0.007 0.000 0.748 185 E HN 0.016 nan 8.360 nan 0.000 0.449 186 V N 1.446 121.368 119.914 0.013 0.000 2.343 186 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 186 V C 2.475 178.574 176.094 0.008 0.000 1.051 186 V CA 1.649 63.954 62.300 0.008 0.000 1.036 186 V CB -0.493 31.334 31.823 0.006 0.000 0.654 186 V HN 0.312 nan 8.190 nan 0.000 0.451 187 Q N 0.110 119.919 119.800 0.014 0.000 2.124 187 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 187 Q C 2.350 178.356 176.000 0.011 0.000 0.977 187 Q CA 2.271 58.083 55.803 0.014 0.000 0.850 187 Q CB -0.201 28.551 28.738 0.023 0.000 0.901 187 Q HN 0.642 nan 8.270 nan 0.000 0.429 188 S N 0.480 116.186 115.700 0.010 0.000 2.371 188 S HA -0.112 4.358 4.470 -0.000 0.000 0.224 188 S C 1.838 176.441 174.600 0.005 0.000 1.029 188 S CA 1.175 59.379 58.200 0.007 0.000 0.978 188 S CB -0.196 63.008 63.200 0.007 0.000 0.833 188 S HN 0.302 nan 8.310 nan 0.000 0.466 189 R N 1.343 121.846 120.500 0.004 0.000 2.120 189 R HA 0.084 4.424 4.340 -0.000 0.000 0.234 189 R C 1.552 177.853 176.300 0.001 0.000 1.123 189 R CA 1.408 57.510 56.100 0.002 0.000 0.975 189 R CB -0.395 29.907 30.300 0.002 0.000 0.866 189 R HN 0.409 nan 8.270 nan 0.000 0.446 190 L N -2.347 118.877 121.223 0.002 0.000 2.642 190 L HA 0.372 4.712 4.340 -0.000 0.000 0.233 190 L C 1.158 178.029 176.870 0.002 0.000 1.077 190 L CA 0.312 55.152 54.840 0.001 0.000 0.879 190 L CB 0.348 42.407 42.059 -0.001 0.000 1.151 190 L HN 0.469 nan 8.230 nan 0.000 0.495 191 G N 1.425 110.227 108.800 0.003 0.000 2.143 191 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.248 191 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.248 191 G C 0.402 175.303 174.900 0.002 0.000 0.991 191 G CA 0.276 45.378 45.100 0.003 0.000 0.689 191 G HN 0.241 nan 8.290 nan 0.000 0.522 192 V N -1.578 118.338 119.914 0.003 0.000 2.963 192 V HA 0.672 4.792 4.120 -0.000 0.000 0.306 192 V C 0.947 177.042 176.094 0.001 0.000 1.077 192 V CA 0.270 62.571 62.300 0.001 0.000 1.124 192 V CB 0.888 32.713 31.823 0.002 0.000 0.987 192 V HN 0.355 nan 8.190 nan 0.000 0.487 193 T N 5.330 119.878 114.554 -0.010 0.000 2.919 193 T HA 0.474 4.824 4.350 -0.000 0.000 0.302 193 T C -0.364 174.339 174.700 0.006 0.000 1.031 193 T CA 0.205 62.297 62.100 -0.013 0.000 1.127 193 T CB 0.715 69.549 68.868 -0.057 0.000 0.952 193 T HN 0.852 nan 8.240 nan 0.000 0.540 194 L N 4.633 125.878 121.223 0.036 0.000 2.381 194 L HA 0.759 5.099 4.340 -0.000 0.000 0.274 194 L C -1.597 175.337 176.870 0.107 0.000 0.988 194 L CA -0.914 53.960 54.840 0.057 0.000 0.824 194 L CB 1.637 43.728 42.059 0.053 0.000 1.263 194 L HN 0.514 nan 8.230 nan 0.000 0.410 195 L N 6.280 127.571 121.223 0.113 0.000 2.343 195 L HA 0.761 5.101 4.340 -0.000 0.000 0.278 195 L C -1.563 175.394 176.870 0.144 0.000 0.996 195 L CA -0.422 54.527 54.840 0.182 0.000 0.831 195 L CB 1.809 43.989 42.059 0.202 0.000 1.232 195 L HN 0.507 nan 8.230 nan 0.000 0.413 196 V N 6.766 126.755 119.914 0.125 0.000 2.540 196 V HA 0.805 4.925 4.120 -0.000 0.000 0.302 196 V C -1.018 175.116 176.094 0.067 0.000 1.035 196 V CA -0.273 62.066 62.300 0.066 0.000 0.873 196 V CB 2.173 34.011 31.823 0.024 0.000 0.992 196 V HN 0.752 nan 8.190 nan 0.000 0.428 197 V N 3.912 123.862 119.914 0.059 0.000 2.628 197 V HA 1.015 5.135 4.120 -0.000 0.000 0.306 197 V C -0.381 175.727 176.094 0.023 0.000 1.045 197 V CA 0.042 62.374 62.300 0.054 0.000 0.905 197 V CB 1.422 33.303 31.823 0.095 0.000 0.997 197 V HN 1.226 nan 8.190 nan 0.000 0.436 198 S N 1.247 116.958 115.700 0.018 0.000 2.587 198 S HA 0.451 4.921 4.470 -0.000 0.000 0.269 198 S C 0.057 174.671 174.600 0.023 0.000 1.154 198 S CA -0.034 58.167 58.200 0.001 0.000 0.824 198 S CB 1.633 64.801 63.200 -0.053 0.000 1.118 198 S HN 1.296 nan 8.310 nan 0.000 0.462 199 H N 0.905 119.999 119.070 0.040 0.000 2.551 199 H HA 0.308 4.864 4.556 -0.000 0.000 0.271 199 H C -0.435 174.927 175.328 0.055 0.000 0.984 199 H CA -0.130 55.941 56.048 0.038 0.000 1.164 199 H CB 0.051 29.833 29.762 0.033 0.000 1.437 199 H HN 0.416 nan 8.280 nan 0.000 0.550 200 D N 2.304 122.489 120.400 -0.358 0.000 2.392 200 D HA 0.177 4.817 4.640 -0.000 0.000 0.228 200 D C -1.849 174.437 176.300 -0.023 0.000 1.074 200 D CA -2.371 51.510 54.000 -0.197 0.000 0.838 200 D CB 2.285 42.928 40.800 -0.263 0.000 1.067 200 D HN 0.027 nan 8.370 nan 0.000 0.511 201 P HA -0.029 nan 4.420 nan 0.000 0.222 201 P C 0.926 178.337 177.300 0.184 0.000 1.147 201 P CA 0.646 63.825 63.100 0.133 0.000 0.790 201 P CB 0.316 32.130 31.700 0.190 0.000 0.780 202 A N 0.249 123.135 122.820 0.110 0.000 1.930 202 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 202 A C 1.908 179.546 177.584 0.091 0.000 1.175 202 A CA 1.823 53.913 52.037 0.089 0.000 0.627 202 A CB -1.310 17.704 19.000 0.024 0.000 0.815 202 A HN 0.071 nan 8.150 nan 0.000 0.443 203 D N -0.041 120.412 120.400 0.090 0.000 2.178 203 D HA -0.115 4.525 4.640 -0.000 0.000 0.201 203 D C 1.767 178.134 176.300 0.112 0.000 0.980 203 D CA 0.804 54.892 54.000 0.147 0.000 0.842 203 D CB -0.153 40.779 40.800 0.220 0.000 0.948 203 D HN 0.358 nan 8.370 nan 0.000 0.472 204 I N -0.343 120.265 120.570 0.065 0.000 2.235 204 I HA -0.138 4.032 4.170 -0.000 0.000 0.241 204 I C 2.093 178.171 176.117 -0.065 0.000 1.085 204 I CA 0.673 61.953 61.300 -0.034 0.000 1.378 204 I CB -0.832 37.102 38.000 -0.111 0.000 1.076 204 I HN -0.063 nan 8.210 nan 0.000 0.415 205 F N 1.389 121.316 119.950 -0.038 0.000 2.269 205 F HA -0.148 4.379 4.527 -0.000 0.000 0.301 205 F C 2.557 178.328 175.800 -0.049 0.000 1.082 205 F CA 1.300 59.267 58.000 -0.054 0.000 1.360 205 F CB -0.349 38.607 39.000 -0.072 0.000 1.041 205 F HN 0.030 nan 8.300 nan 0.000 0.512 206 A N -0.523 122.376 122.820 0.132 0.000 1.968 206 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 206 A C 2.037 179.643 177.584 0.036 0.000 1.169 206 A CA 1.495 53.565 52.037 0.056 0.000 0.638 206 A CB -0.433 18.571 19.000 0.006 0.000 0.812 206 A HN 0.413 nan 8.150 nan 0.000 0.446 207 I N -1.956 118.638 120.570 0.040 0.000 3.812 207 I HA 0.219 4.389 4.170 -0.000 0.000 0.292 207 I C 1.127 177.247 176.117 0.005 0.000 1.206 207 I CA 0.325 61.650 61.300 0.041 0.000 1.370 207 I CB 0.311 38.371 38.000 0.100 0.000 1.328 207 I HN 0.198 nan 8.210 nan 0.000 0.453 208 A N 0.887 123.682 122.820 -0.042 0.000 2.354 208 A HA 0.202 4.522 4.320 -0.000 0.000 0.269 208 A C 0.159 177.679 177.584 -0.106 0.000 1.109 208 A CA -0.182 51.800 52.037 -0.092 0.000 0.800 208 A CB 0.278 19.164 19.000 -0.189 0.000 1.045 208 A HN 0.174 nan 8.150 nan 0.000 0.489 209 D N 0.184 120.541 120.400 -0.070 0.000 2.327 209 D HA 0.091 4.731 4.640 -0.000 0.000 0.205 209 D C 0.639 176.890 176.300 -0.081 0.000 0.989 209 D CA 0.959 54.926 54.000 -0.055 0.000 0.873 209 D CB 0.332 41.129 40.800 -0.006 0.000 0.955 209 D HN 0.574 nan 8.370 nan 0.000 0.515 210 R N 0.159 120.585 120.500 -0.124 0.000 2.673 210 R HA 0.532 4.872 4.340 -0.000 0.000 0.281 210 R C -1.851 174.111 176.300 -0.564 0.000 0.991 210 R CA -0.611 55.383 56.100 -0.176 0.000 0.896 210 R CB 2.703 33.048 30.300 0.074 0.000 1.201 210 R HN -0.149 nan 8.270 nan 0.000 0.457 211 V N 2.427 122.021 119.914 -0.533 0.000 2.841 211 V HA 0.865 4.985 4.120 -0.000 0.000 0.310 211 V C -0.909 174.919 176.094 -0.444 0.000 1.090 211 V CA -0.321 61.578 62.300 -0.669 0.000 0.930 211 V CB 2.019 33.590 31.823 -0.419 0.000 1.014 211 V HN 0.868 nan 8.190 nan 0.000 0.425 212 G N 4.308 112.864 108.800 -0.406 0.000 2.461 212 G HA2 0.607 4.567 3.960 -0.000 0.000 0.323 212 G HA3 0.607 4.567 3.960 -0.000 0.000 0.323 212 G C -1.272 173.565 174.900 -0.105 0.000 1.229 212 G CA -0.522 44.524 45.100 -0.091 0.000 0.941 212 G HN 0.860 nan 8.290 nan 0.000 0.477 213 V N 2.810 122.683 119.914 -0.068 0.000 2.394 213 V HA 0.397 4.517 4.120 -0.000 0.000 0.282 213 V C -0.350 175.713 176.094 -0.051 0.000 1.031 213 V CA -0.703 61.563 62.300 -0.057 0.000 0.881 213 V CB 1.296 33.096 31.823 -0.039 0.000 0.982 213 V HN 0.598 nan 8.190 nan 0.000 0.451 214 L N 6.760 127.951 121.223 -0.053 0.000 2.305 214 L HA 0.691 5.031 4.340 -0.000 0.000 0.284 214 L C -0.572 176.282 176.870 -0.026 0.000 1.013 214 L CA 0.097 54.905 54.840 -0.053 0.000 0.819 214 L CB 1.696 43.708 42.059 -0.078 0.000 1.227 214 L HN 0.452 nan 8.230 nan 0.000 0.417 215 V N 5.562 125.463 119.914 -0.021 0.000 2.447 215 V HA 0.370 4.489 4.120 -0.000 0.000 0.292 215 V C -0.016 176.075 176.094 -0.005 0.000 1.021 215 V CA -1.049 61.243 62.300 -0.012 0.000 0.850 215 V CB 1.343 33.156 31.823 -0.017 0.000 1.005 215 V HN 0.729 nan 8.190 nan 0.000 0.426 216 K N 3.859 124.261 120.400 0.003 0.000 3.148 216 K HA -0.253 4.067 4.320 -0.000 0.000 0.267 216 K C 1.165 177.775 176.600 0.016 0.000 0.996 216 K CA 0.714 57.007 56.287 0.011 0.000 0.737 216 K CB -1.332 31.172 32.500 0.007 0.000 1.308 216 K HN 1.584 nan 8.250 nan 0.000 0.470 217 G N -0.410 108.401 108.800 0.019 0.000 2.234 217 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.260 217 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.260 217 G C -0.065 174.840 174.900 0.007 0.000 0.987 217 G CA 0.770 45.884 45.100 0.024 0.000 0.625 217 G HN 0.342 nan 8.290 nan 0.000 0.532 218 K N -0.064 120.335 120.400 -0.003 0.000 2.185 218 K HA 0.594 4.914 4.320 -0.000 0.000 0.269 218 K C -0.604 175.981 176.600 -0.025 0.000 0.987 218 K CA -1.000 55.282 56.287 -0.010 0.000 0.865 218 K CB 2.152 34.649 32.500 -0.005 0.000 1.090 218 K HN 0.070 nan 8.250 nan 0.000 0.450 219 L N 5.433 126.637 121.223 -0.031 0.000 2.356 219 L HA 0.031 4.370 4.340 -0.000 0.000 0.282 219 L C 0.825 177.684 176.870 -0.019 0.000 1.132 219 L CA 0.153 54.968 54.840 -0.041 0.000 0.923 219 L CB 0.620 42.647 42.059 -0.053 0.000 1.278 219 L HN 0.609 nan 8.230 nan 0.000 0.436 220 V N 1.630 121.533 119.914 -0.019 0.000 3.041 220 V HA 0.123 4.243 4.120 -0.000 0.000 0.260 220 V C 0.594 176.687 176.094 -0.002 0.000 1.105 220 V CA 0.653 62.947 62.300 -0.010 0.000 1.125 220 V CB -0.765 31.048 31.823 -0.016 0.000 0.730 220 V HN 0.853 nan 8.190 nan 0.000 0.479 221 Q N -0.688 119.110 119.800 -0.003 0.000 2.438 221 Q HA 0.614 4.954 4.340 -0.000 0.000 0.272 221 Q C -2.266 173.738 176.000 0.007 0.000 0.994 221 Q CA -0.458 55.348 55.803 0.006 0.000 0.887 221 Q CB 2.851 31.592 28.738 0.006 0.000 1.432 221 Q HN 0.160 nan 8.270 nan 0.000 0.392 222 V N 1.918 121.846 119.914 0.024 0.000 2.709 222 V HA 1.006 5.126 4.120 -0.000 0.000 0.308 222 V C 0.109 176.219 176.094 0.027 0.000 1.062 222 V CA 0.235 62.561 62.300 0.043 0.000 0.901 222 V CB 1.689 33.577 31.823 0.109 0.000 1.003 222 V HN 0.944 nan 8.190 nan 0.000 0.425 223 G N 3.097 111.895 108.800 -0.002 0.000 2.342 223 G HA2 0.349 4.309 3.960 -0.000 0.000 0.297 223 G HA3 0.349 4.309 3.960 -0.000 0.000 0.297 223 G C -1.592 173.275 174.900 -0.054 0.000 1.313 223 G CA -1.004 44.092 45.100 -0.008 0.000 0.830 223 G HN 0.538 nan 8.290 nan 0.000 0.506 224 K N 0.786 121.162 120.400 -0.040 0.000 2.258 224 K HA 0.245 4.565 4.320 -0.000 0.000 0.264 224 K C -1.588 174.943 176.600 -0.114 0.000 1.007 224 K CA -1.262 54.982 56.287 -0.072 0.000 0.941 224 K CB 1.471 33.952 32.500 -0.032 0.000 0.966 224 K HN 0.049 nan 8.250 nan 0.000 0.480 225 P HA -0.286 nan 4.420 nan 0.000 0.216 225 P C 1.014 178.245 177.300 -0.115 0.000 1.157 225 P CA 1.494 64.353 63.100 -0.401 0.000 0.880 225 P CB 0.087 31.336 31.700 -0.752 0.000 0.791 226 E N -0.460 119.756 120.200 0.028 0.000 2.153 226 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 226 E C 1.514 178.211 176.600 0.160 0.000 0.988 226 E CA 1.291 57.791 56.400 0.165 0.000 0.811 226 E CB -1.247 28.521 29.700 0.114 0.000 0.746 226 E HN 0.326 nan 8.360 nan 0.000 0.466 227 D N 0.511 120.958 120.400 0.078 0.000 2.117 227 D HA -0.074 4.566 4.640 -0.000 0.000 0.198 227 D C 2.071 178.419 176.300 0.080 0.000 0.982 227 D CA 0.697 54.737 54.000 0.067 0.000 0.828 227 D CB 0.158 40.976 40.800 0.031 0.000 0.967 227 D HN 0.140 nan 8.370 nan 0.000 0.464 228 L N 0.172 121.435 121.223 0.067 0.000 2.056 228 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 228 L C 2.291 179.250 176.870 0.149 0.000 1.078 228 L CA 1.206 56.090 54.840 0.073 0.000 0.749 228 L CB -0.881 41.190 42.059 0.020 0.000 0.901 228 L HN 0.105 nan 8.230 nan 0.000 0.433 229 Y N 0.542 120.901 120.300 0.100 0.000 2.128 229 Y HA -0.286 4.264 4.550 -0.000 0.000 0.284 229 Y C 2.297 178.261 175.900 0.105 0.000 1.154 229 Y CA 2.029 60.224 58.100 0.158 0.000 1.149 229 Y CB -0.059 38.564 38.460 0.272 0.000 0.976 229 Y HN 0.258 nan 8.280 nan 0.000 0.505 230 D N -0.888 119.634 120.400 0.204 0.000 2.183 230 D HA -0.048 4.592 4.640 -0.000 0.000 0.205 230 D C 0.108 176.431 176.300 0.038 0.000 0.962 230 D CA 0.964 55.019 54.000 0.093 0.000 0.849 230 D CB -0.150 40.724 40.800 0.124 0.000 0.978 230 D HN 0.367 nan 8.370 nan 0.000 0.488 231 N N 1.669 120.403 118.700 0.057 0.000 2.735 231 N HA 0.173 4.913 4.740 -0.000 0.000 0.312 231 N C -2.617 172.936 175.510 0.072 0.000 1.843 231 N CA -0.871 52.206 53.050 0.045 0.000 0.945 231 N CB 1.646 40.154 38.487 0.036 0.000 1.299 231 N HN 0.140 nan 8.380 nan 0.000 0.489 232 P HA -0.010 nan 4.420 nan 0.000 0.268 232 P C 1.171 178.586 177.300 0.191 0.000 1.205 232 P CA -0.158 63.014 63.100 0.119 0.000 0.771 232 P CB 1.944 33.716 31.700 0.120 0.000 0.858 233 V N 1.628 121.616 119.914 0.123 0.000 3.041 233 V HA -0.043 4.077 4.120 -0.000 0.000 0.260 233 V C 0.900 177.086 176.094 0.154 0.000 1.105 233 V CA 1.992 64.375 62.300 0.139 0.000 1.125 233 V CB -0.314 31.547 31.823 0.062 0.000 0.730 233 V HN 0.890 nan 8.190 nan 0.000 0.479 234 S N -2.050 113.627 115.700 -0.037 0.000 2.625 234 S HA 0.373 4.843 4.470 -0.000 0.000 0.271 234 S C 0.156 174.217 174.600 -0.898 0.000 1.161 234 S CA -0.105 57.796 58.200 -0.497 0.000 0.820 234 S CB 1.344 64.376 63.200 -0.279 0.000 1.137 234 S HN -0.050 nan 8.310 nan 0.000 0.470 235 I N 1.361 121.168 120.570 -1.270 0.000 2.439 235 I HA -0.033 4.137 4.170 -0.000 0.000 0.251 235 I C 2.607 178.524 176.117 -0.332 0.000 1.139 235 I CA 1.637 62.467 61.300 -0.783 0.000 1.438 235 I CB -0.595 37.062 38.000 -0.571 0.000 1.085 235 I HN 0.926 nan 8.210 nan 0.000 0.427 236 Q N -0.360 119.277 119.800 -0.271 0.000 2.079 236 Q HA -0.157 4.183 4.340 -0.000 0.000 0.200 236 Q C 2.163 178.108 176.000 -0.093 0.000 0.974 236 Q CA 2.065 57.785 55.803 -0.138 0.000 0.840 236 Q CB -0.077 28.598 28.738 -0.104 0.000 0.898 236 Q HN 0.375 nan 8.270 nan 0.000 0.430 237 V N 1.054 120.906 119.914 -0.103 0.000 2.343 237 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 237 V C 2.390 178.471 176.094 -0.022 0.000 1.051 237 V CA 1.685 63.957 62.300 -0.046 0.000 1.036 237 V CB -0.983 30.820 31.823 -0.033 0.000 0.654 237 V HN 0.561 nan 8.190 nan 0.000 0.451 238 A N 0.642 123.434 122.820 -0.048 0.000 1.908 238 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 238 A C 2.507 180.085 177.584 -0.010 0.000 1.181 238 A CA 2.566 54.592 52.037 -0.020 0.000 0.627 238 A CB -0.694 18.308 19.000 0.003 0.000 0.818 238 A HN 0.702 nan 8.150 nan 0.000 0.445 239 S N -0.721 114.973 115.700 -0.009 0.000 2.446 239 S HA 0.112 4.582 4.470 -0.000 0.000 0.225 239 S C 1.824 176.459 174.600 0.057 0.000 1.016 239 S CA 0.839 59.056 58.200 0.028 0.000 0.943 239 S CB -0.502 62.710 63.200 0.020 0.000 0.786 239 S HN 0.422 nan 8.310 nan 0.000 0.508 240 L N 0.232 121.481 121.223 0.043 0.000 2.056 240 L HA 0.075 4.415 4.340 -0.000 0.000 0.207 240 L C 2.469 179.403 176.870 0.106 0.000 1.078 240 L CA 1.084 55.961 54.840 0.063 0.000 0.749 240 L CB -0.379 41.702 42.059 0.037 0.000 0.901 240 L HN 0.330 nan 8.230 nan 0.000 0.433 241 I N -0.800 119.846 120.570 0.126 0.000 2.928 241 I HA 0.112 4.282 4.170 -0.000 0.000 0.266 241 I C 0.825 177.158 176.117 0.360 0.000 1.234 241 I CA 0.425 61.866 61.300 0.235 0.000 1.483 241 I CB 0.044 38.185 38.000 0.234 0.000 1.097 241 I HN 0.144 nan 8.210 nan 0.000 0.455 242 G N -0.625 108.322 108.800 0.244 0.000 2.328 242 G HA2 0.146 4.106 3.960 -0.000 0.000 0.295 242 G HA3 0.146 4.106 3.960 -0.000 0.000 0.295 242 G C -1.357 173.646 174.900 0.172 0.000 1.413 242 G CA -0.889 44.372 45.100 0.269 0.000 0.817 242 G HN 0.020 nan 8.290 nan 0.000 0.546 243 E N -0.486 119.838 120.200 0.207 0.000 2.414 243 E HA 0.369 4.719 4.350 -0.000 0.000 0.263 243 E C -0.534 176.134 176.600 0.115 0.000 1.000 243 E CA 0.517 57.051 56.400 0.224 0.000 0.914 243 E CB 1.509 31.422 29.700 0.355 0.000 0.948 243 E HN 0.431 nan 8.360 nan 0.000 0.444 244 I N 2.430 123.059 120.570 0.098 0.000 2.787 244 I HA 0.126 4.296 4.170 -0.000 0.000 0.294 244 I C -1.341 174.763 176.117 -0.022 0.000 1.365 244 I CA -0.755 60.533 61.300 -0.020 0.000 1.029 244 I CB 1.992 39.974 38.000 -0.029 0.000 1.313 244 I HN 0.390 nan 8.210 nan 0.000 0.431 245 N N 6.194 124.817 118.700 -0.127 0.000 2.422 245 N HA 0.243 4.983 4.740 -0.000 0.000 0.264 245 N C -1.271 174.218 175.510 -0.036 0.000 1.063 245 N CA -0.157 52.844 53.050 -0.082 0.000 0.959 245 N CB 1.121 39.514 38.487 -0.157 0.000 1.087 245 N HN 0.513 nan 8.380 nan 0.000 0.483 246 E N 2.424 122.626 120.200 0.004 0.000 2.113 246 E HA 0.378 4.728 4.350 -0.000 0.000 0.273 246 E C -0.593 175.999 176.600 -0.014 0.000 0.924 246 E CA -0.679 55.718 56.400 -0.006 0.000 0.764 246 E CB 1.496 31.200 29.700 0.006 0.000 1.104 246 E HN 0.193 nan 8.360 nan 0.000 0.406 247 L N 2.264 123.455 121.223 -0.053 0.000 2.365 247 L HA 0.405 4.745 4.340 -0.000 0.000 0.273 247 L C 0.143 176.985 176.870 -0.046 0.000 1.000 247 L CA -0.537 54.272 54.840 -0.052 0.000 0.819 247 L CB 1.560 43.559 42.059 -0.099 0.000 1.284 247 L HN 0.583 nan 8.230 nan 0.000 0.418 248 E N 0.989 121.182 120.200 -0.011 0.000 2.197 248 E HA 0.659 5.009 4.350 -0.000 0.000 0.281 248 E C -0.328 176.278 176.600 0.011 0.000 0.995 248 E CA -0.316 56.084 56.400 0.000 0.000 0.808 248 E CB 2.370 32.076 29.700 0.010 0.000 1.093 248 E HN 0.831 nan 8.360 nan 0.000 0.394 249 G N 0.879 109.686 108.800 0.012 0.000 2.695 249 G HA2 0.549 4.509 3.960 -0.000 0.000 0.290 249 G HA3 0.549 4.509 3.960 -0.000 0.000 0.290 249 G C -1.251 173.668 174.900 0.031 0.000 1.410 249 G CA -0.638 44.481 45.100 0.032 0.000 0.844 249 G HN 0.467 nan 8.290 nan 0.000 0.478 250 K N -0.120 120.303 120.400 0.038 0.000 2.201 250 K HA 0.708 5.027 4.320 -0.000 0.000 0.278 250 K C -0.112 176.508 176.600 0.033 0.000 1.027 250 K CA -0.588 55.718 56.287 0.030 0.000 0.909 250 K CB 1.447 33.963 32.500 0.027 0.000 1.062 250 K HN 0.805 nan 8.250 nan 0.000 0.465 251 V N 3.380 123.309 119.914 0.025 0.000 2.488 251 V HA 0.500 4.620 4.120 -0.000 0.000 0.277 251 V C 0.778 176.885 176.094 0.021 0.000 1.046 251 V CA 0.373 62.687 62.300 0.024 0.000 0.986 251 V CB 0.760 32.593 31.823 0.016 0.000 0.989 251 V HN 1.138 nan 8.190 nan 0.000 0.475 252 T N 0.659 115.226 114.554 0.022 0.000 2.841 252 T HA 0.395 4.745 4.350 -0.000 0.000 0.296 252 T C 1.042 175.751 174.700 0.014 0.000 1.166 252 T CA -0.041 62.069 62.100 0.016 0.000 1.007 252 T CB 1.356 70.234 68.868 0.016 0.000 1.253 252 T HN 0.505 nan 8.240 nan 0.000 0.511 253 N N -0.103 118.603 118.700 0.009 0.000 2.132 253 N HA -0.116 4.624 4.740 -0.000 0.000 0.191 253 N C 2.011 177.525 175.510 0.007 0.000 1.015 253 N CA 2.669 55.723 53.050 0.007 0.000 0.864 253 N CB -1.471 nan 38.487 nan 0.000 1.006 253 N HN 1.041 nan 8.380 nan 0.000 0.430 254 E N -0.891 119.314 120.200 0.007 0.000 2.299 254 E HA 0.454 4.804 4.350 -0.000 0.000 0.193 254 E C 1.458 178.066 176.600 0.014 0.000 0.998 254 E CA 1.216 57.619 56.400 0.005 0.000 0.851 254 E CB -0.573 nan 29.700 nan 0.000 0.795 254 E HN 1.678 nan 8.360 nan 0.000 0.492 255 G N -1.889 106.926 108.800 0.025 0.000 2.325 255 G HA2 0.158 4.118 3.960 -0.000 0.000 0.285 255 G HA3 0.158 4.118 3.960 -0.000 0.000 0.285 255 G C -0.808 174.130 174.900 0.064 0.000 1.303 255 G CA -0.336 44.791 45.100 0.045 0.000 0.970 255 G HN 0.684 nan 8.290 nan 0.000 0.490 256 V N 0.935 120.913 119.914 0.106 0.000 2.397 256 V HA 0.401 4.521 4.120 -0.000 0.000 0.262 256 V C 0.779 176.978 176.094 0.174 0.000 1.047 256 V CA -0.361 62.010 62.300 0.119 0.000 1.003 256 V CB 0.753 32.634 31.823 0.097 0.000 1.037 256 V HN 0.690 nan 8.190 nan 0.000 0.480 257 V N 7.330 127.309 119.914 0.108 0.000 2.461 257 V HA 0.416 4.536 4.120 -0.000 0.000 0.275 257 V C 0.168 176.327 176.094 0.108 0.000 1.047 257 V CA -0.156 62.201 62.300 0.096 0.000 0.955 257 V CB 1.312 33.164 31.823 0.049 0.000 0.988 257 V HN 0.690 nan 8.190 nan 0.000 0.471 258 I N 4.741 125.390 120.570 0.132 0.000 2.583 258 I HA 0.524 4.694 4.170 -0.000 0.000 0.276 258 I C 0.920 177.087 176.117 0.083 0.000 1.089 258 I CA -0.134 61.240 61.300 0.123 0.000 1.103 258 I CB 0.980 39.102 38.000 0.203 0.000 1.209 258 I HN 0.836 nan 8.210 nan 0.000 0.484 259 G N 4.723 113.552 108.800 0.049 0.000 2.591 259 G HA2 -0.379 3.580 3.960 -0.000 0.000 0.298 259 G HA3 -0.379 3.580 3.960 -0.000 0.000 0.298 259 G C 0.864 175.770 174.900 0.010 0.000 1.195 259 G CA 0.721 45.838 45.100 0.028 0.000 0.989 259 G HN 0.755 nan 8.290 nan 0.000 0.551 260 S N 0.210 115.907 115.700 -0.004 0.000 2.561 260 S HA 0.427 4.897 4.470 -0.000 0.000 0.225 260 S C 1.101 175.662 174.600 -0.066 0.000 0.977 260 S CA 0.862 59.043 58.200 -0.031 0.000 0.926 260 S CB -0.141 63.039 63.200 -0.034 0.000 0.769 260 S HN 0.667 nan 8.310 nan 0.000 0.533 261 L N 1.377 122.564 121.223 -0.060 0.000 2.343 261 L HA 0.758 5.098 4.340 -0.000 0.000 0.275 261 L C 0.549 177.320 176.870 -0.166 0.000 1.056 261 L CA -0.672 54.066 54.840 -0.170 0.000 0.804 261 L CB 1.210 43.162 42.059 -0.178 0.000 1.203 261 L HN 0.268 nan 8.230 nan 0.000 0.440 262 R N 2.726 123.032 120.500 -0.324 0.000 2.500 262 R HA 0.589 4.929 4.340 -0.000 0.000 0.299 262 R C -1.557 174.560 176.300 -0.305 0.000 1.038 262 R CA -0.544 55.445 56.100 -0.185 0.000 0.903 262 R CB 0.645 30.881 30.300 -0.105 0.000 1.177 262 R HN 0.421 nan 8.270 nan 0.000 0.455 263 F N 4.254 124.194 119.950 -0.018 0.000 2.405 263 F HA 0.430 4.956 4.527 -0.000 0.000 0.355 263 F C -1.306 174.482 175.800 -0.019 0.000 1.121 263 F CA -2.718 55.272 58.000 -0.018 0.000 1.112 263 F CB 2.459 41.449 39.000 -0.017 0.000 1.126 263 F HN 0.408 nan 8.300 nan 0.000 0.481 264 P HA 0.034 nan 4.420 nan 0.000 0.238 264 P C -0.582 176.751 177.300 0.056 0.000 1.714 264 P CA 0.426 63.562 63.100 0.060 0.000 0.908 264 P CB -0.231 31.487 31.700 0.031 0.000 1.893 265 V N -3.745 116.207 119.914 0.064 0.000 3.167 265 V HA 1.006 5.126 4.120 -0.000 0.000 0.310 265 V C -0.476 175.623 176.094 0.009 0.000 1.207 265 V CA -1.015 61.296 62.300 0.019 0.000 1.059 265 V CB 1.375 33.193 31.823 -0.009 0.000 1.079 265 V HN 0.279 nan 8.190 nan 0.000 0.446 266 S N -0.333 115.357 115.700 -0.016 0.000 2.565 266 S HA 0.942 5.412 4.470 -0.000 0.000 0.269 266 S C -0.689 173.895 174.600 -0.027 0.000 1.153 266 S CA -0.185 58.008 58.200 -0.013 0.000 0.835 266 S CB 1.800 nan 63.200 nan 0.000 1.122 266 S HN 2.317 nan 8.310 nan 0.000 0.462 267 V N -0.918 118.986 119.914 -0.016 0.000 3.102 267 V HA 0.928 5.048 4.120 -0.000 0.000 0.312 267 V C 0.547 176.641 176.094 -0.001 0.000 1.135 267 V CA -0.132 62.161 62.300 -0.012 0.000 1.022 267 V CB 1.331 33.151 31.823 -0.006 0.000 1.056 267 V HN 1.426 nan 8.190 nan 0.000 0.436 268 S N 0.175 115.877 115.700 0.003 0.000 2.699 268 S HA 0.448 4.918 4.470 -0.000 0.000 0.251 268 S C 0.228 174.833 174.600 0.009 0.000 1.179 268 S CA 0.296 58.499 58.200 0.005 0.000 1.200 268 S CB -0.706 62.497 63.200 0.005 0.000 0.848 268 S HN 1.428 nan 8.310 nan 0.000 0.472 269 S N -0.200 115.506 115.700 0.011 0.000 2.661 269 S HA 0.394 4.864 4.470 -0.000 0.000 0.285 269 S C 0.402 175.009 174.600 0.013 0.000 1.138 269 S CA -0.483 57.725 58.200 0.014 0.000 0.855 269 S CB 1.627 64.839 63.200 0.019 0.000 1.136 269 S HN 0.252 nan 8.310 nan 0.000 0.484 270 D N 0.972 121.380 120.400 0.013 0.000 2.123 270 D HA -0.014 4.626 4.640 -0.000 0.000 0.196 270 D C 0.499 176.808 176.300 0.015 0.000 0.992 270 D CA 1.546 55.554 54.000 0.013 0.000 0.833 270 D CB 0.194 41.002 40.800 0.012 0.000 0.954 270 D HN 0.539 nan 8.370 nan 0.000 0.455 271 R N -1.270 119.240 120.500 0.017 0.000 2.912 271 R HA 0.803 5.143 4.340 -0.000 0.000 0.262 271 R C -0.865 175.448 176.300 0.021 0.000 1.057 271 R CA -0.937 55.174 56.100 0.019 0.000 0.981 271 R CB 2.247 32.558 30.300 0.018 0.000 1.201 271 R HN -0.018 nan 8.270 nan 0.000 0.484 272 A N 1.096 123.928 122.820 0.020 0.000 2.539 272 A HA 0.578 4.898 4.320 -0.000 0.000 0.296 272 A C -1.259 176.340 177.584 0.025 0.000 1.073 272 A CA -0.717 51.334 52.037 0.024 0.000 0.700 272 A CB 1.407 20.410 19.000 0.004 0.000 1.296 272 A HN 0.427 nan 8.150 nan 0.000 0.405 273 I N 2.592 123.204 120.570 0.070 0.000 2.315 273 I HA 0.303 4.473 4.170 -0.000 0.000 0.291 273 I C -0.417 175.743 176.117 0.072 0.000 1.006 273 I CA -0.427 60.924 61.300 0.086 0.000 1.265 273 I CB 1.024 39.111 38.000 0.145 0.000 1.387 273 I HN 0.391 nan 8.210 nan 0.000 0.475 274 I N 5.241 125.775 120.570 -0.059 0.000 2.353 274 I HA 0.386 4.556 4.170 -0.000 0.000 0.293 274 I C 0.717 176.770 176.117 -0.107 0.000 0.992 274 I CA -0.206 60.976 61.300 -0.196 0.000 1.268 274 I CB 1.554 39.239 38.000 -0.525 0.000 1.387 274 I HN 0.565 nan 8.210 nan 0.000 0.478 275 G N 6.685 115.451 108.800 -0.057 0.000 2.502 275 G HA2 0.617 4.577 3.960 -0.000 0.000 0.311 275 G HA3 0.617 4.577 3.960 -0.000 0.000 0.311 275 G C -1.320 173.536 174.900 -0.073 0.000 1.270 275 G CA -0.227 44.874 45.100 0.002 0.000 0.948 275 G HN 0.411 nan 8.290 nan 0.000 0.487 276 I N 1.850 122.369 120.570 -0.085 0.000 2.500 276 I HA 0.432 4.601 4.170 -0.000 0.000 0.286 276 I C 0.181 176.245 176.117 -0.088 0.000 1.063 276 I CA -0.908 60.353 61.300 -0.066 0.000 1.062 276 I CB 1.381 39.367 38.000 -0.024 0.000 1.223 276 I HN 0.439 nan 8.210 nan 0.000 0.435 277 R N 7.643 128.098 120.500 -0.076 0.000 2.594 277 R HA 0.248 4.588 4.340 -0.000 0.000 0.272 277 R C -1.705 174.556 176.300 -0.066 0.000 1.074 277 R CA -1.259 54.792 56.100 -0.082 0.000 1.105 277 R CB 0.131 30.393 30.300 -0.064 0.000 1.008 277 R HN 0.402 nan 8.270 nan 0.000 0.472 278 P HA -0.257 nan 4.420 nan 0.000 0.215 278 P C 0.976 178.332 177.300 0.094 0.000 1.157 278 P CA 1.416 64.444 63.100 -0.121 0.000 0.874 278 P CB 0.052 31.733 31.700 -0.031 0.000 0.790 279 E N -0.418 119.885 120.200 0.171 0.000 2.333 279 E HA -0.184 4.166 4.350 -0.000 0.000 0.198 279 E C 0.306 177.054 176.600 0.246 0.000 1.007 279 E CA 1.179 57.709 56.400 0.216 0.000 0.845 279 E CB -0.910 28.905 29.700 0.191 0.000 0.766 279 E HN 0.289 nan 8.360 nan 0.000 0.507 280 D N 1.075 121.589 120.400 0.191 0.000 2.395 280 D HA 0.170 4.810 4.640 -0.000 0.000 0.226 280 D C -0.380 176.142 176.300 0.370 0.000 1.146 280 D CA -0.029 54.096 54.000 0.210 0.000 0.830 280 D CB 0.898 41.749 40.800 0.086 0.000 0.958 280 D HN -0.027 nan 8.370 nan 0.000 0.501 281 V N 0.609 120.738 119.914 0.358 0.000 2.656 281 V HA 0.380 4.499 4.120 -0.000 0.000 0.307 281 V C -0.120 176.060 176.094 0.143 0.000 1.051 281 V CA -0.879 61.589 62.300 0.281 0.000 0.893 281 V CB 3.065 34.955 31.823 0.111 0.000 0.999 281 V HN -0.170 nan 8.190 nan 0.000 0.426 282 K N 4.063 124.427 120.400 -0.060 0.000 2.482 282 K HA 0.732 5.052 4.320 -0.000 0.000 0.251 282 K C -1.763 174.742 176.600 -0.158 0.000 0.936 282 K CA -0.629 55.440 56.287 -0.364 0.000 0.791 282 K CB 1.805 33.557 32.500 -1.247 0.000 1.213 282 K HN 0.616 nan 8.250 nan 0.000 0.428 283 L N 1.774 122.928 121.223 -0.115 0.000 2.331 283 L HA 0.635 4.975 4.340 -0.000 0.000 0.275 283 L C -0.184 176.648 176.870 -0.064 0.000 1.022 283 L CA -0.849 53.968 54.840 -0.040 0.000 0.812 283 L CB 1.901 43.948 42.059 -0.020 0.000 1.257 283 L HN 0.621 nan 8.230 nan 0.000 0.435 284 S N 0.159 115.852 115.700 -0.012 0.000 2.537 284 S HA 0.328 4.797 4.470 -0.000 0.000 0.271 284 S C -0.165 174.430 174.600 -0.007 0.000 1.148 284 S CA -0.674 57.505 58.200 -0.035 0.000 0.868 284 S CB 1.869 65.029 63.200 -0.067 0.000 1.115 284 S HN 0.695 nan 8.310 nan 0.000 0.461 285 K N 1.319 121.698 120.400 -0.035 0.000 2.393 285 K HA 0.233 4.553 4.320 -0.000 0.000 0.193 285 K C 0.543 177.133 176.600 -0.017 0.000 1.026 285 K CA 0.915 57.184 56.287 -0.030 0.000 1.064 285 K CB 0.117 32.587 32.500 -0.051 0.000 0.833 285 K HN 0.778 nan 8.250 nan 0.000 0.521 286 D N 0.263 120.655 120.400 -0.013 0.000 2.523 286 D HA 0.394 5.034 4.640 -0.000 0.000 0.236 286 D C -0.320 176.001 176.300 0.035 0.000 1.094 286 D CA -0.670 53.329 54.000 -0.002 0.000 0.942 286 D CB 1.307 42.090 40.800 -0.028 0.000 1.447 286 D HN -0.037 nan 8.370 nan 0.000 0.479 287 V N -1.395 118.551 119.914 0.054 0.000 2.740 287 V HA 0.491 4.611 4.120 -0.000 0.000 0.303 287 V C 0.426 176.519 176.094 -0.003 0.000 1.054 287 V CA -0.388 61.984 62.300 0.121 0.000 1.106 287 V CB 0.167 32.052 31.823 0.103 0.000 0.957 287 V HN 0.608 nan 8.190 nan 0.000 0.486 288 I N 4.148 124.637 120.570 -0.134 0.000 2.304 288 I HA 0.409 4.579 4.170 -0.000 0.000 0.291 288 I C 0.959 176.990 176.117 -0.142 0.000 1.018 288 I CA -0.296 60.803 61.300 -0.334 0.000 1.260 288 I CB 1.317 38.811 38.000 -0.843 0.000 1.390 288 I HN 0.909 nan 8.210 nan 0.000 0.475 289 K N 4.644 125.003 120.400 -0.070 0.000 2.502 289 K HA 0.189 4.509 4.320 -0.000 0.000 0.244 289 K C -0.521 176.081 176.600 0.004 0.000 1.249 289 K CA -0.235 56.046 56.287 -0.010 0.000 1.193 289 K CB -0.276 nan 32.500 nan 0.000 1.674 289 K HN 0.612 nan 8.250 nan 0.000 0.302 290 D N 0.625 121.041 120.400 0.027 0.000 2.616 290 D HA 0.167 4.807 4.640 -0.000 0.000 0.238 290 D C -0.494 175.874 176.300 0.114 0.000 1.354 290 D CA -0.474 53.573 54.000 0.079 0.000 0.970 290 D CB 1.485 42.366 40.800 0.135 0.000 1.369 290 D HN 0.200 nan 8.370 nan 0.000 0.585 291 D N 1.345 121.790 120.400 0.074 0.000 2.309 291 D HA -0.128 4.512 4.640 -0.000 0.000 0.212 291 D C 1.685 178.009 176.300 0.041 0.000 0.968 291 D CA 0.948 54.985 54.000 0.062 0.000 0.882 291 D CB 0.188 41.007 40.800 0.033 0.000 0.918 291 D HN 0.461 nan 8.370 nan 0.000 0.503 292 S N -1.223 114.480 115.700 0.004 0.000 2.522 292 S HA -0.062 4.408 4.470 -0.000 0.000 0.227 292 S C 0.425 174.875 174.600 -0.250 0.000 0.986 292 S CA -0.149 57.965 58.200 -0.143 0.000 0.929 292 S CB -0.235 62.830 63.200 -0.225 0.000 0.769 292 S HN 0.200 nan 8.310 nan 0.000 0.529 293 W N 0.976 122.296 121.300 0.034 0.000 2.606 293 W HA 0.656 5.316 4.660 -0.000 0.000 0.332 293 W C -0.628 176.016 176.519 0.209 0.000 1.052 293 W CA -1.075 56.324 57.345 0.091 0.000 1.223 293 W CB 1.061 30.511 29.460 -0.017 0.000 1.383 293 W HN -0.038 nan 8.180 nan 0.000 0.524 294 I N 4.514 125.390 120.570 0.509 0.000 2.406 294 I HA 0.204 4.374 4.170 -0.000 0.000 0.290 294 I C -0.390 175.820 176.117 0.154 0.000 0.999 294 I CA -1.278 60.211 61.300 0.315 0.000 1.124 294 I CB 1.086 39.170 38.000 0.140 0.000 1.289 294 I HN 0.206 nan 8.210 nan 0.000 0.441 295 L N 8.039 129.188 121.223 -0.123 0.000 2.410 295 L HA 0.152 4.492 4.340 -0.000 0.000 0.273 295 L C 0.873 177.520 176.870 -0.372 0.000 1.144 295 L CA 0.484 54.933 54.840 -0.652 0.000 0.863 295 L CB 0.953 42.666 42.059 -0.576 0.000 1.140 295 L HN 0.527 nan 8.230 nan 0.000 0.463 296 V N 2.277 121.941 119.914 -0.417 0.000 3.643 296 V HA 0.813 4.933 4.120 -0.000 0.000 0.280 296 V C 0.798 176.672 176.094 -0.368 0.000 1.351 296 V CA 0.475 62.517 62.300 -0.428 0.000 1.073 296 V CB -0.710 30.699 31.823 -0.689 0.000 0.863 296 V HN 1.159 nan 8.190 nan 0.000 0.436 297 G N 0.108 108.717 108.800 -0.319 0.000 2.346 297 G HA2 0.101 4.061 3.960 -0.000 0.000 0.294 297 G HA3 0.101 4.061 3.960 -0.000 0.000 0.294 297 G C -1.215 173.577 174.900 -0.179 0.000 1.294 297 G CA -0.813 44.154 45.100 -0.222 0.000 0.962 297 G HN 0.232 nan 8.290 nan 0.000 0.508 298 K N -0.233 120.096 120.400 -0.119 0.000 2.154 298 K HA 0.603 4.923 4.320 -0.000 0.000 0.264 298 K C 0.446 177.010 176.600 -0.060 0.000 1.008 298 K CA 0.263 56.501 56.287 -0.081 0.000 0.937 298 K CB 1.550 34.016 32.500 -0.057 0.000 1.002 298 K HN 0.960 nan 8.250 nan 0.000 0.469 299 G N 1.017 109.793 108.800 -0.041 0.000 2.798 299 G HA2 0.493 4.452 3.960 -0.000 0.000 0.286 299 G HA3 0.493 4.452 3.960 -0.000 0.000 0.286 299 G C -1.604 173.291 174.900 -0.008 0.000 1.389 299 G CA -0.481 44.608 45.100 -0.019 0.000 0.894 299 G HN 0.417 nan 8.290 nan 0.000 0.488 300 K N 0.135 120.538 120.400 0.004 0.000 2.507 300 K HA 0.518 4.838 4.320 -0.000 0.000 0.251 300 K C -0.894 175.717 176.600 0.018 0.000 0.943 300 K CA -0.600 55.692 56.287 0.008 0.000 0.794 300 K CB 2.452 34.956 32.500 0.008 0.000 1.188 300 K HN 0.296 nan 8.250 nan 0.000 0.428 301 V N 5.337 125.262 119.914 0.020 0.000 2.529 301 V HA 0.008 4.128 4.120 -0.000 0.000 0.292 301 V C 1.301 177.414 176.094 0.032 0.000 1.028 301 V CA 0.420 62.738 62.300 0.030 0.000 1.074 301 V CB 1.087 32.929 31.823 0.033 0.000 0.958 301 V HN 0.853 nan 8.190 nan 0.000 0.481 302 K N 4.222 124.644 120.400 0.036 0.000 2.214 302 K HA 0.314 4.634 4.320 -0.000 0.000 0.201 302 K C 0.108 176.727 176.600 0.032 0.000 1.049 302 K CA 0.580 56.886 56.287 0.032 0.000 0.978 302 K CB 0.865 33.386 32.500 0.035 0.000 0.842 302 K HN 0.474 nan 8.250 nan 0.000 0.474 303 V N 0.739 120.677 119.914 0.040 0.000 3.177 303 V HA 0.382 4.502 4.120 -0.000 0.000 0.287 303 V C -2.042 174.087 176.094 0.058 0.000 1.465 303 V CA -0.971 61.353 62.300 0.040 0.000 1.020 303 V CB 1.905 33.746 31.823 0.031 0.000 1.152 303 V HN 0.193 nan 8.190 nan 0.000 0.448 304 I N 3.405 124.018 120.570 0.071 0.000 2.689 304 I HA 0.947 5.117 4.170 -0.000 0.000 0.299 304 I C 0.069 176.276 176.117 0.151 0.000 1.059 304 I CA -0.004 61.367 61.300 0.119 0.000 1.055 304 I CB 2.083 40.157 38.000 0.124 0.000 1.243 304 I HN 0.889 nan 8.210 nan 0.000 0.425 305 G N 4.326 113.251 108.800 0.208 0.000 2.630 305 G HA2 0.552 4.512 3.960 -0.000 0.000 0.296 305 G HA3 0.552 4.512 3.960 -0.000 0.000 0.296 305 G C -2.442 172.665 174.900 0.344 0.000 1.285 305 G CA -0.360 44.869 45.100 0.214 0.000 0.958 305 G HN 0.507 nan 8.290 nan 0.000 0.479 306 Y N 1.164 121.512 120.300 0.081 0.000 2.386 306 Y HA 0.565 5.115 4.550 -0.000 0.000 0.334 306 Y C -0.763 175.106 175.900 -0.051 0.000 1.002 306 Y CA -0.845 57.233 58.100 -0.037 0.000 1.068 306 Y CB 1.787 40.201 38.460 -0.077 0.000 1.203 306 Y HN 0.719 nan 8.280 nan 0.000 0.443 307 Q N 3.501 122.966 119.800 -0.559 0.000 2.617 307 Q HA 0.426 4.766 4.340 -0.000 0.000 0.270 307 Q C 0.051 175.774 176.000 -0.462 0.000 0.967 307 Q CA -0.469 55.054 55.803 -0.466 0.000 0.887 307 Q CB 1.220 29.849 28.738 -0.182 0.000 1.516 307 Q HN 1.298 nan 8.270 nan 0.000 0.395 308 G N 0.372 108.934 108.800 -0.396 0.000 2.225 308 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.267 308 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.267 308 G C 0.980 175.685 174.900 -0.324 0.000 1.024 308 G CA 1.197 46.118 45.100 -0.299 0.000 0.784 308 G HN 2.086 nan 8.290 nan 0.000 0.507 309 G N -2.160 106.340 108.800 -0.500 0.000 2.184 309 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.264 309 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.264 309 G C 0.373 175.131 174.900 -0.236 0.000 0.975 309 G CA 0.904 45.802 45.100 -0.337 0.000 0.642 309 G HN 1.431 nan 8.290 nan 0.000 0.536 310 L N -0.767 120.269 121.223 -0.311 0.000 2.319 310 L HA 0.771 5.111 4.340 -0.000 0.000 0.267 310 L C 0.015 176.859 176.870 -0.044 0.000 1.011 310 L CA -1.375 53.405 54.840 -0.099 0.000 0.818 310 L CB 1.416 43.484 42.059 0.014 0.000 1.316 310 L HN -0.021 nan 8.230 nan 0.000 0.432 311 F N 0.690 120.833 119.950 0.322 0.000 2.404 311 F HA 0.423 4.950 4.527 -0.000 0.000 0.345 311 F C 0.527 176.496 175.800 0.281 0.000 1.110 311 F CA -0.373 57.815 58.000 0.314 0.000 1.130 311 F CB 1.036 40.167 39.000 0.219 0.000 1.129 311 F HN 0.309 nan 8.300 nan 0.000 0.500 312 R N 5.013 125.748 120.500 0.392 0.000 2.215 312 R HA 0.535 4.875 4.340 -0.000 0.000 0.336 312 R C -1.222 175.167 176.300 0.148 0.000 0.996 312 R CA -0.353 55.855 56.100 0.180 0.000 0.847 312 R CB 0.375 30.742 30.300 0.111 0.000 1.127 312 R HN 0.710 nan 8.270 nan 0.000 0.465 313 I N 3.660 124.295 120.570 0.109 0.000 2.339 313 I HA 0.227 4.396 4.170 -0.000 0.000 0.290 313 I C -0.145 176.030 176.117 0.097 0.000 0.994 313 I CA -0.551 60.812 61.300 0.104 0.000 1.191 313 I CB 2.177 40.233 38.000 0.094 0.000 1.343 313 I HN 0.481 nan 8.210 nan 0.000 0.458 314 T N 7.379 121.987 114.554 0.090 0.000 2.771 314 T HA 0.623 4.973 4.350 -0.000 0.000 0.281 314 T C -0.130 174.615 174.700 0.075 0.000 0.982 314 T CA -0.377 61.785 62.100 0.102 0.000 0.978 314 T CB 1.117 70.033 68.868 0.080 0.000 0.930 314 T HN 0.502 nan 8.240 nan 0.000 0.447 315 I N 0.613 121.228 120.570 0.075 0.000 3.170 315 I HA 0.926 5.096 4.170 -0.000 0.000 0.312 315 I C -0.396 175.756 176.117 0.057 0.000 1.085 315 I CA -0.999 60.333 61.300 0.054 0.000 0.999 315 I CB 2.647 40.672 38.000 0.042 0.000 1.233 315 I HN 0.633 nan 8.210 nan 0.000 0.467 316 T N 0.014 114.594 114.554 0.044 0.000 2.903 316 T HA 0.692 5.042 4.350 -0.000 0.000 0.299 316 T C -2.958 171.763 174.700 0.034 0.000 1.093 316 T CA -1.913 60.214 62.100 0.045 0.000 1.002 316 T CB 1.727 70.618 68.868 0.039 0.000 1.127 316 T HN 0.474 nan 8.240 nan 0.000 0.488 317 P HA 0.312 nan 4.420 nan 0.000 0.273 317 P C -0.223 177.085 177.300 0.013 0.000 1.250 317 P CA -0.753 62.359 63.100 0.021 0.000 0.793 317 P CB 0.377 32.098 31.700 0.034 0.000 1.011 318 L N -0.185 121.038 121.223 0.001 0.000 2.426 318 L HA 0.265 4.605 4.340 -0.000 0.000 0.271 318 L C 1.255 178.128 176.870 0.006 0.000 1.169 318 L CA 0.973 55.814 54.840 0.001 0.000 0.836 318 L CB -1.039 41.015 42.059 -0.007 0.000 1.112 318 L HN 0.721 nan 8.230 nan 0.000 0.465 319 D N 1.543 121.948 120.400 0.008 0.000 2.746 319 D HA -0.123 4.517 4.640 -0.000 0.000 0.236 319 D C 0.211 176.521 176.300 0.017 0.000 1.129 319 D CA 0.925 54.931 54.000 0.010 0.000 0.691 319 D CB -1.436 39.368 40.800 0.007 0.000 1.077 319 D HN 0.658 nan 8.370 nan 0.000 0.432 320 S N -1.957 113.755 115.700 0.021 0.000 2.552 320 S HA 0.568 5.038 4.470 -0.000 0.000 0.272 320 S C -0.144 174.474 174.600 0.029 0.000 1.150 320 S CA 0.222 58.438 58.200 0.028 0.000 0.849 320 S CB 2.035 65.257 63.200 0.038 0.000 1.113 320 S HN 0.232 nan 8.310 nan 0.000 0.458 321 E N 0.816 121.034 120.200 0.030 0.000 2.460 321 E HA 0.135 4.484 4.350 -0.000 0.000 0.200 321 E C -0.314 176.309 176.600 0.038 0.000 1.011 321 E CA 0.037 56.455 56.400 0.030 0.000 0.912 321 E CB 0.253 29.968 29.700 0.025 0.000 0.953 321 E HN 0.591 nan 8.360 nan 0.000 0.494 322 E N 1.845 122.071 120.200 0.043 0.000 2.502 322 E HA -0.017 4.333 4.350 -0.000 0.000 0.261 322 E C -0.099 176.538 176.600 0.062 0.000 0.974 322 E CA 0.741 57.172 56.400 0.052 0.000 0.936 322 E CB 0.556 30.290 29.700 0.057 0.000 0.926 322 E HN 0.169 nan 8.360 nan 0.000 0.459 323 E N 2.031 122.274 120.200 0.072 0.000 2.214 323 E HA 0.523 4.873 4.350 -0.000 0.000 0.274 323 E C -0.188 176.478 176.600 0.110 0.000 0.977 323 E CA -0.566 55.890 56.400 0.093 0.000 0.827 323 E CB 1.486 31.248 29.700 0.104 0.000 1.130 323 E HN 0.319 nan 8.360 nan 0.000 0.394 324 I N 3.445 124.083 120.570 0.114 0.000 2.512 324 I HA 0.303 4.473 4.170 -0.000 0.000 0.287 324 I C -0.899 175.284 176.117 0.109 0.000 1.069 324 I CA -0.856 60.490 61.300 0.077 0.000 1.056 324 I CB 0.879 38.917 38.000 0.063 0.000 1.229 324 I HN 0.453 nan 8.210 nan 0.000 0.429 325 F N 3.822 123.758 119.950 -0.023 0.000 2.556 325 F HA 0.922 5.449 4.527 -0.000 0.000 0.327 325 F C -0.332 175.389 175.800 -0.131 0.000 1.059 325 F CA -0.666 57.281 58.000 -0.089 0.000 0.953 325 F CB 2.028 40.948 39.000 -0.133 0.000 1.227 325 F HN 0.353 nan 8.300 nan 0.000 0.478 326 T N 0.764 115.270 114.554 -0.080 0.000 2.821 326 T HA 0.515 4.865 4.350 -0.000 0.000 0.306 326 T C -2.072 172.531 174.700 -0.161 0.000 1.313 326 T CA -0.620 61.386 62.100 -0.156 0.000 1.012 326 T CB 0.881 69.733 68.868 -0.027 0.000 1.298 326 T HN 0.606 nan 8.240 nan 0.000 0.502 327 Y N 0.935 121.347 120.300 0.186 0.000 2.420 327 Y HA 0.725 5.275 4.550 -0.000 0.000 0.334 327 Y C 0.630 176.629 175.900 0.166 0.000 1.094 327 Y CA -0.480 57.733 58.100 0.188 0.000 1.126 327 Y CB 2.199 40.754 38.460 0.158 0.000 1.217 327 Y HN 0.595 nan 8.280 nan 0.000 0.462 328 S N 0.229 116.144 115.700 0.359 0.000 2.570 328 S HA 0.264 4.734 4.470 -0.000 0.000 0.270 328 S C -0.376 174.418 174.600 0.323 0.000 1.149 328 S CA -0.748 57.622 58.200 0.283 0.000 0.837 328 S CB 1.215 64.550 63.200 0.224 0.000 1.124 328 S HN 0.701 nan 8.310 nan 0.000 0.465 329 D N 1.078 121.604 120.400 0.210 0.000 2.269 329 D HA 0.130 4.770 4.640 -0.000 0.000 0.208 329 D C -0.064 176.246 176.300 0.018 0.000 0.963 329 D CA 1.324 55.367 54.000 0.072 0.000 0.864 329 D CB -0.047 40.694 40.800 -0.099 0.000 0.936 329 D HN 0.589 nan 8.370 nan 0.000 0.505 330 H N -1.194 118.037 119.070 0.268 0.000 2.690 330 H HA 0.398 4.953 4.556 -0.000 0.000 0.368 330 H C -2.224 172.966 175.328 -0.229 0.000 1.150 330 H CA -1.789 54.283 56.048 0.039 0.000 1.174 330 H CB 2.119 31.870 29.762 -0.018 0.000 1.684 330 H HN -0.154 nan 8.280 nan 0.000 0.538 331 P HA 0.300 nan 4.420 nan 0.000 0.284 331 P C -0.702 176.451 177.300 -0.245 0.000 1.258 331 P CA -0.386 62.354 63.100 -0.600 0.000 0.824 331 P CB 1.517 32.681 31.700 -0.894 0.000 1.038 332 I N 2.213 122.708 120.570 -0.125 0.000 2.466 332 I HA 0.261 4.431 4.170 -0.000 0.000 0.289 332 I C 0.347 176.488 176.117 0.040 0.000 1.026 332 I CA -1.004 60.234 61.300 -0.103 0.000 1.078 332 I CB 1.311 39.274 38.000 -0.061 0.000 1.249 332 I HN 0.321 nan 8.210 nan 0.000 0.429 333 H N 3.160 122.185 119.070 -0.074 0.000 2.771 333 H HA 0.129 4.685 4.556 -0.000 0.000 0.364 333 H C 0.492 175.801 175.328 -0.030 0.000 1.133 333 H CA -0.710 55.305 56.048 -0.054 0.000 1.423 333 H CB 0.677 30.410 29.762 -0.050 0.000 1.425 333 H HN 0.597 nan 8.280 nan 0.000 0.606 334 S N 0.168 115.928 115.700 0.100 0.000 2.568 334 S HA 0.293 4.763 4.470 -0.000 0.000 0.282 334 S C 1.468 176.096 174.600 0.046 0.000 1.338 334 S CA 0.037 58.268 58.200 0.052 0.000 1.045 334 S CB 0.670 63.885 63.200 0.025 0.000 0.873 334 S HN 1.039 nan 8.310 nan 0.000 0.516 335 G N 0.492 109.311 108.800 0.031 0.000 2.199 335 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.254 335 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.254 335 G C -0.074 174.837 174.900 0.018 0.000 0.982 335 G CA 0.179 45.293 45.100 0.023 0.000 0.632 335 G HN 0.767 nan 8.290 nan 0.000 0.529 336 E N 1.239 121.452 120.200 0.021 0.000 2.331 336 E HA 0.349 4.699 4.350 -0.000 0.000 0.272 336 E C 0.325 176.924 176.600 -0.002 0.000 1.036 336 E CA -0.133 56.270 56.400 0.005 0.000 0.864 336 E CB 0.826 30.523 29.700 -0.005 0.000 1.035 336 E HN 0.591 nan 8.360 nan 0.000 0.408 337 E N 0.945 121.140 120.200 -0.009 0.000 2.301 337 E HA 0.331 4.681 4.350 -0.000 0.000 0.275 337 E C -0.384 176.205 176.600 -0.017 0.000 1.030 337 E CA -0.547 55.846 56.400 -0.012 0.000 0.852 337 E CB 1.461 31.152 29.700 -0.014 0.000 1.060 337 E HN 0.273 nan 8.360 nan 0.000 0.401 338 V N 0.058 119.961 119.914 -0.018 0.000 3.159 338 V HA 0.505 4.625 4.120 -0.000 0.000 0.308 338 V C -0.792 175.288 176.094 -0.024 0.000 1.190 338 V CA -1.180 61.109 62.300 -0.018 0.000 1.037 338 V CB 1.369 33.184 31.823 -0.014 0.000 1.060 338 V HN 0.506 nan 8.190 nan 0.000 0.437 339 L N 1.876 123.095 121.223 -0.008 0.000 2.326 339 L HA 0.607 4.947 4.340 -0.000 0.000 0.278 339 L C -0.504 176.346 176.870 -0.033 0.000 1.092 339 L CA -0.696 54.123 54.840 -0.036 0.000 0.810 339 L CB 1.635 43.725 42.059 0.052 0.000 1.153 339 L HN 0.552 nan 8.230 nan 0.000 0.439 340 V N 3.657 123.482 119.914 -0.149 0.000 2.370 340 V HA 0.345 4.465 4.120 -0.000 0.000 0.283 340 V C -0.679 175.289 176.094 -0.210 0.000 1.023 340 V CA -0.522 61.718 62.300 -0.101 0.000 0.857 340 V CB 1.077 32.847 31.823 -0.088 0.000 0.985 340 V HN 0.407 nan 8.190 nan 0.000 0.443 341 Y N 3.387 123.665 120.300 -0.037 0.000 2.509 341 Y HA 0.765 5.315 4.550 -0.000 0.000 0.341 341 Y C 0.193 176.241 175.900 0.246 0.000 1.038 341 Y CA -0.779 57.361 58.100 0.067 0.000 1.089 341 Y CB 2.306 40.771 38.460 0.008 0.000 1.241 341 Y HN 0.541 nan 8.280 nan 0.000 0.468 342 V N -0.389 119.830 119.914 0.509 0.000 3.078 342 V HA 0.638 4.758 4.120 -0.000 0.000 0.311 342 V C -0.761 175.545 176.094 0.353 0.000 1.138 342 V CA -1.566 61.026 62.300 0.486 0.000 1.007 342 V CB 2.134 34.136 31.823 0.300 0.000 1.045 342 V HN 0.670 nan 8.190 nan 0.000 0.432 343 R N 2.046 122.588 120.500 0.070 0.000 2.309 343 R HA 0.208 4.548 4.340 -0.000 0.000 0.331 343 R C 1.083 177.361 176.300 -0.037 0.000 1.116 343 R CA -0.079 55.907 56.100 -0.190 0.000 0.970 343 R CB 0.692 30.793 30.300 -0.331 0.000 1.024 343 R HN 0.944 nan 8.270 nan 0.000 0.472 344 K N 2.333 122.730 120.400 -0.005 0.000 2.044 344 K HA -0.196 4.124 4.320 -0.000 0.000 0.210 344 K C 0.401 176.998 176.600 -0.005 0.000 1.049 344 K CA 1.702 58.004 56.287 0.024 0.000 0.927 344 K CB 0.232 32.748 32.500 0.026 0.000 0.713 344 K HN 0.399 nan 8.250 nan 0.000 0.443 345 D N 0.281 120.660 120.400 -0.035 0.000 2.392 345 D HA -0.080 4.560 4.640 -0.000 0.000 0.228 345 D C 0.973 177.249 176.300 -0.040 0.000 1.003 345 D CA 0.880 54.857 54.000 -0.038 0.000 0.917 345 D CB 0.228 41.001 40.800 -0.045 0.000 0.890 345 D HN 0.106 nan 8.370 nan 0.000 0.532 346 K N -0.237 120.140 120.400 -0.038 0.000 2.358 346 K HA 0.257 4.577 4.320 -0.000 0.000 0.200 346 K C 0.366 176.946 176.600 -0.034 0.000 1.030 346 K CA -0.151 56.115 56.287 -0.035 0.000 1.097 346 K CB 0.614 33.093 32.500 -0.036 0.000 0.862 346 K HN 0.057 nan 8.250 nan 0.000 0.534 347 I N 2.244 122.801 120.570 -0.022 0.000 2.533 347 I HA -0.023 4.147 4.170 -0.000 0.000 0.284 347 I C -0.076 175.971 176.117 -0.116 0.000 1.109 347 I CA 0.162 61.438 61.300 -0.039 0.000 1.412 347 I CB 0.552 38.562 38.000 0.016 0.000 1.396 347 I HN -0.113 nan 8.210 nan 0.000 0.543 348 K N 5.537 125.843 120.400 -0.156 0.000 2.159 348 K HA 0.651 4.971 4.320 -0.000 0.000 0.266 348 K C -0.966 175.366 176.600 -0.446 0.000 0.975 348 K CA -0.582 55.531 56.287 -0.289 0.000 0.865 348 K CB 2.482 34.894 32.500 -0.147 0.000 1.087 348 K HN 0.333 nan 8.250 nan 0.000 0.446 349 V N 4.862 124.323 119.914 -0.756 0.000 2.760 349 V HA 0.660 4.780 4.120 -0.000 0.000 0.309 349 V C -1.930 173.624 176.094 -0.900 0.000 1.077 349 V CA -0.617 61.319 62.300 -0.606 0.000 0.910 349 V CB 0.941 32.585 31.823 -0.298 0.000 1.008 349 V HN 0.643 nan 8.190 nan 0.000 0.424 350 F N 2.696 122.616 119.950 -0.049 0.000 2.601 350 F HA 0.564 5.091 4.527 -0.000 0.000 0.309 350 F C 0.251 176.033 175.800 -0.029 0.000 1.089 350 F CA -0.839 57.140 58.000 -0.035 0.000 0.940 350 F CB 1.617 40.597 39.000 -0.034 0.000 1.273 350 F HN 0.438 nan 8.300 nan 0.000 0.450 351 E N 1.596 121.890 120.200 0.157 0.000 2.415 351 E HA 0.072 4.422 4.350 -0.000 0.000 0.262 351 E C -0.398 176.254 176.600 0.087 0.000 1.038 351 E CA -0.329 56.123 56.400 0.087 0.000 0.921 351 E CB 1.021 30.757 29.700 0.061 0.000 0.950 351 E HN 0.404 nan 8.360 nan 0.000 0.438 352 K N 1.695 122.128 120.400 0.054 0.000 2.144 352 K HA 0.130 4.450 4.320 -0.000 0.000 0.270 352 K C 0.513 177.128 176.600 0.023 0.000 1.005 352 K CA 0.243 56.552 56.287 0.036 0.000 0.932 352 K CB 0.444 32.959 32.500 0.027 0.000 1.021 352 K HN 0.661 nan 8.250 nan 0.000 0.462 353 N N 0.000 118.707 118.700 0.012 0.000 1.763 353 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 353 N CA 0.000 53.054 53.050 0.006 0.000 0.885 353 N CB 0.000 nan 38.487 nan 0.000 1.341 353 N HN 0.000 nan 8.380 nan 0.000 0.667