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 2awz_1_B DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQPE DATA SEQUENCE KGGRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRAW DATA SEQUENCE RHRARNVRAR LLSRGGRAAI CGKYLFNWAV KTKLKLTPIA AAGRLDLSSW DATA SEQUENCE FTAGYSGGDI YH 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.572 174.600 -0.047 0.000 1.055 1 S CA 0.000 58.179 58.200 -0.035 0.000 1.107 1 S CB 0.000 63.170 63.200 -0.050 0.000 0.593 2 M N 3.213 122.779 119.600 -0.057 0.000 2.219 2 M HA 0.248 4.728 4.480 0.000 0.000 0.353 2 M C 1.947 178.140 176.300 -0.178 0.000 1.304 2 M CA 0.148 55.402 55.300 -0.076 0.000 1.115 2 M CB 0.736 33.309 32.600 -0.045 0.000 1.664 2 M HN 1.065 nan 8.290 nan 0.000 0.459 3 S N 3.532 119.060 115.700 -0.287 0.000 2.374 3 S HA -0.133 4.337 4.470 0.000 0.000 0.227 3 S C 0.216 174.425 174.600 -0.651 0.000 1.037 3 S CA 1.127 59.033 58.200 -0.490 0.000 1.024 3 S CB -0.219 62.592 63.200 -0.649 0.000 0.861 3 S HN 0.653 nan 8.310 nan 0.000 0.456 4 Y N -0.436 119.684 120.300 -0.300 0.000 2.588 4 Y HA 0.596 5.146 4.550 0.000 0.000 0.343 4 Y C -0.278 175.303 175.900 -0.533 0.000 1.065 4 Y CA -1.053 56.742 58.100 -0.508 0.000 1.038 4 Y CB 2.159 40.150 38.460 -0.782 0.000 1.297 4 Y HN -0.150 nan 8.280 nan 0.000 0.467 5 T N 1.292 115.556 114.554 -0.484 0.000 2.879 5 T HA 0.366 4.716 4.350 0.000 0.000 0.290 5 T C -1.546 172.890 174.700 -0.440 0.000 0.993 5 T CA -0.812 61.096 62.100 -0.319 0.000 0.975 5 T CB 0.488 69.284 68.868 -0.120 0.000 0.981 5 T HN 0.441 nan 8.240 nan 0.000 0.439 6 W N 1.524 122.874 121.300 0.083 0.000 2.606 6 W HA 0.395 5.055 4.660 0.000 0.000 0.332 6 W C 1.588 178.132 176.519 0.043 0.000 1.052 6 W CA -0.947 56.432 57.345 0.056 0.000 1.223 6 W CB 1.029 30.505 29.460 0.027 0.000 1.383 6 W HN 0.768 nan 8.180 nan 0.000 0.524 7 T N -1.850 112.878 114.554 0.290 0.000 3.014 7 T HA 0.254 4.604 4.350 0.000 0.000 0.263 7 T C 1.526 176.311 174.700 0.141 0.000 1.078 7 T CA 1.084 63.285 62.100 0.168 0.000 1.135 7 T CB -0.109 68.836 68.868 0.129 0.000 0.895 7 T HN 1.097 nan 8.240 nan 0.000 0.480 8 G N 1.421 110.314 108.800 0.156 0.000 2.339 8 G HA2 0.012 3.972 3.960 0.000 0.000 0.209 8 G HA3 0.012 3.972 3.960 0.000 0.000 0.209 8 G C 0.448 175.377 174.900 0.048 0.000 1.015 8 G CA -0.150 44.996 45.100 0.077 0.000 0.635 8 G HN 1.141 nan 8.290 nan 0.000 0.499 9 A N 1.275 124.136 122.820 0.069 0.000 2.531 9 A HA 0.567 4.887 4.320 0.000 0.000 0.236 9 A C 0.812 178.408 177.584 0.020 0.000 1.062 9 A CA 0.439 52.503 52.037 0.046 0.000 0.760 9 A CB 0.057 19.093 19.000 0.061 0.000 0.995 9 A HN 0.972 nan 8.150 nan 0.000 0.501 10 L N 1.786 123.007 121.223 -0.004 0.000 2.439 10 L HA 0.307 4.647 4.340 0.000 0.000 0.261 10 L C 0.134 176.987 176.870 -0.029 0.000 1.153 10 L CA -0.332 54.486 54.840 -0.036 0.000 0.808 10 L CB 0.673 42.713 42.059 -0.031 0.000 1.126 10 L HN 0.555 nan 8.230 nan 0.000 0.460 11 I N 1.637 122.170 120.570 -0.061 0.000 2.322 11 I HA 0.103 4.273 4.170 0.000 0.000 0.292 11 I C 0.465 176.571 176.117 -0.019 0.000 1.060 11 I CA -0.070 61.207 61.300 -0.039 0.000 1.309 11 I CB 0.865 38.821 38.000 -0.074 0.000 1.415 11 I HN 0.668 nan 8.210 nan 0.000 0.492 12 T N 4.935 119.489 114.554 0.001 0.000 2.943 12 T HA 0.603 4.953 4.350 0.000 0.000 0.284 12 T C -2.502 172.212 174.700 0.023 0.000 1.015 12 T CA -1.999 60.107 62.100 0.010 0.000 1.042 12 T CB 1.839 70.713 68.868 0.011 0.000 1.055 12 T HN 0.269 nan 8.240 nan 0.000 0.500 13 P HA 0.290 nan 4.420 nan 0.000 0.282 13 P C 0.830 178.154 177.300 0.040 0.000 1.259 13 P CA -0.823 62.300 63.100 0.040 0.000 0.826 13 P CB 1.006 32.730 31.700 0.040 0.000 1.064 14 C N -0.119 119.210 119.300 0.049 0.000 2.590 14 C HA 0.693 5.153 4.460 0.000 0.000 0.272 14 C C 0.990 176.003 174.990 0.039 0.000 1.338 14 C CA 0.231 59.276 59.018 0.045 0.000 1.746 14 C CB -1.051 26.723 27.740 0.056 0.000 2.020 14 C HN 0.692 nan 8.230 nan 0.000 0.531 15 A N 0.135 122.981 122.820 0.042 0.000 2.593 15 A HA 0.793 5.113 4.320 0.000 0.000 0.290 15 A C -0.258 177.354 177.584 0.047 0.000 1.126 15 A CA 0.054 52.115 52.037 0.040 0.000 0.695 15 A CB -0.023 19.001 19.000 0.040 0.000 1.290 15 A HN 1.298 nan 8.150 nan 0.000 0.414 16 A N 0.295 123.142 122.820 0.045 0.000 2.565 16 A HA 0.443 4.763 4.320 0.000 0.000 0.237 16 A C 0.080 177.706 177.584 0.070 0.000 1.053 16 A CA 0.634 52.702 52.037 0.052 0.000 0.755 16 A CB -0.347 18.681 19.000 0.047 0.000 0.980 16 A HN 0.653 nan 8.150 nan 0.000 0.506 17 E N 1.381 121.629 120.200 0.080 0.000 2.171 17 E HA 0.328 4.678 4.350 0.000 0.000 0.271 17 E C -0.810 175.876 176.600 0.143 0.000 0.916 17 E CA -0.725 55.739 56.400 0.107 0.000 0.774 17 E CB 1.284 31.039 29.700 0.092 0.000 1.128 17 E HN 0.607 nan 8.360 nan 0.000 0.403 18 E N 1.214 121.541 120.200 0.212 0.000 2.227 18 E HA 0.124 4.474 4.350 0.000 0.000 0.282 18 E C 0.148 176.997 176.600 0.415 0.000 1.015 18 E CA -0.124 56.456 56.400 0.299 0.000 0.823 18 E CB 1.666 31.573 29.700 0.346 0.000 1.081 18 E HN 0.585 nan 8.360 nan 0.000 0.396 19 S N 1.697 117.625 115.700 0.380 0.000 2.604 19 S HA 0.213 4.684 4.470 0.000 0.000 0.235 19 S C 0.412 175.292 174.600 0.466 0.000 1.043 19 S CA -0.260 58.155 58.200 0.358 0.000 0.997 19 S CB 0.607 63.943 63.200 0.227 0.000 0.956 19 S HN 0.218 nan 8.310 nan 0.000 0.535 20 K N 0.921 121.606 120.400 0.474 0.000 2.318 20 K HA 0.522 4.842 4.320 0.000 0.000 0.249 20 K C -1.686 175.101 176.600 0.312 0.000 0.942 20 K CA -0.930 55.603 56.287 0.411 0.000 0.808 20 K CB 2.095 34.740 32.500 0.241 0.000 1.189 20 K HN 0.111 nan 8.250 nan 0.000 0.428 21 L N 4.925 126.346 121.223 0.330 0.000 2.369 21 L HA 0.225 4.565 4.340 0.000 0.000 0.279 21 L C -2.197 174.669 176.870 -0.006 0.000 1.108 21 L CA -1.347 53.550 54.840 0.095 0.000 0.852 21 L CB 0.104 42.322 42.059 0.264 0.000 1.169 21 L HN 0.447 nan 8.230 nan 0.000 0.452 22 P HA 0.156 nan 4.420 nan 0.000 0.274 22 P C -0.457 176.733 177.300 -0.183 0.000 1.231 22 P CA -0.312 62.701 63.100 -0.146 0.000 0.790 22 P CB 0.841 32.445 31.700 -0.160 0.000 0.951 23 I N 2.647 123.071 120.570 -0.243 0.000 2.421 23 I HA 0.123 4.293 4.170 0.000 0.000 0.291 23 I C 0.969 177.002 176.117 -0.141 0.000 1.089 23 I CA 0.331 61.469 61.300 -0.270 0.000 1.354 23 I CB -0.365 37.450 38.000 -0.309 0.000 1.413 23 I HN 0.368 nan 8.210 nan 0.000 0.513 24 N N 5.439 124.079 118.700 -0.100 0.000 2.336 24 N HA 0.304 5.044 4.740 0.000 0.000 0.290 24 N C 0.385 175.875 175.510 -0.033 0.000 1.058 24 N CA -0.288 52.725 53.050 -0.063 0.000 0.865 24 N CB 2.151 40.599 38.487 -0.065 0.000 1.581 24 N HN 0.569 nan 8.380 nan 0.000 0.480 25 A N 4.080 126.883 122.820 -0.027 0.000 1.927 25 A HA -0.155 4.165 4.320 0.000 0.000 0.220 25 A C 2.032 179.617 177.584 0.001 0.000 1.185 25 A CA 1.374 53.403 52.037 -0.015 0.000 0.639 25 A CB -0.633 18.355 19.000 -0.020 0.000 0.820 25 A HN 0.731 nan 8.150 nan 0.000 0.451 26 L N 0.175 121.397 121.223 -0.002 0.000 2.083 26 L HA -0.192 4.148 4.340 0.000 0.000 0.209 26 L C 2.972 179.903 176.870 0.102 0.000 1.083 26 L CA 1.719 56.567 54.840 0.013 0.000 0.752 26 L CB -0.556 41.491 42.059 -0.020 0.000 0.899 26 L HN 0.644 nan 8.230 nan 0.000 0.433 27 S N -1.362 114.378 115.700 0.067 0.000 2.406 27 S HA -0.140 4.331 4.470 0.000 0.000 0.224 27 S C 1.759 176.399 174.600 0.066 0.000 1.030 27 S CA 0.663 58.907 58.200 0.073 0.000 0.958 27 S CB -0.561 62.660 63.200 0.035 0.000 0.811 27 S HN 0.418 nan 8.310 nan 0.000 0.489 28 N N 1.458 120.188 118.700 0.050 0.000 2.364 28 N HA -0.109 4.631 4.740 0.000 0.000 0.183 28 N C 1.791 177.334 175.510 0.055 0.000 1.022 28 N CA 1.132 54.215 53.050 0.055 0.000 0.883 28 N CB -0.241 38.267 38.487 0.036 0.000 0.965 28 N HN 0.512 nan 8.380 nan 0.000 0.438 29 S N 0.248 115.988 115.700 0.066 0.000 2.402 29 S HA -0.091 4.380 4.470 0.000 0.000 0.229 29 S C 1.790 176.469 174.600 0.132 0.000 1.021 29 S CA 0.599 58.837 58.200 0.065 0.000 0.974 29 S CB -0.068 63.178 63.200 0.077 0.000 0.800 29 S HN 0.370 nan 8.310 nan 0.000 0.484 30 L N 0.244 121.570 121.223 0.171 0.000 2.200 30 L HA 0.553 4.893 4.340 0.000 0.000 0.200 30 L C 0.229 177.184 176.870 0.142 0.000 1.072 30 L CA 1.094 56.049 54.840 0.192 0.000 0.787 30 L CB 0.039 41.948 42.059 -0.251 0.000 0.957 30 L HN 0.433 nan 8.230 nan 0.000 0.459 31 L N -0.616 120.646 121.223 0.065 0.000 2.439 31 L HA 0.387 4.727 4.340 0.000 0.000 0.270 31 L C 0.608 177.507 176.870 0.049 0.000 0.972 31 L CA -0.452 54.414 54.840 0.043 0.000 0.836 31 L CB 1.506 43.592 42.059 0.045 0.000 1.255 31 L HN 0.029 nan 8.230 nan 0.000 0.404 32 R N 1.359 121.847 120.500 -0.021 0.000 2.127 32 R HA 0.085 4.425 4.340 0.000 0.000 0.217 32 R C 0.146 176.525 176.300 0.132 0.000 1.074 32 R CA 0.581 56.700 56.100 0.031 0.000 0.991 32 R CB 0.016 30.291 30.300 -0.041 0.000 0.895 32 R HN 0.651 nan 8.270 nan 0.000 0.450 33 H N 0.963 120.067 119.070 0.056 0.000 3.220 33 H HA -0.007 4.549 4.556 0.000 0.000 0.225 33 H C 0.857 176.174 175.328 -0.018 0.000 1.869 33 H CA -0.426 55.606 56.048 -0.027 0.000 1.428 33 H CB -0.080 29.677 29.762 -0.009 0.000 1.792 33 H HN 0.456 nan 8.280 nan 0.000 0.595 34 H N -0.319 118.857 119.070 0.177 0.000 2.422 34 H HA -0.154 4.402 4.556 0.000 0.000 0.298 34 H C 1.240 176.666 175.328 0.162 0.000 1.098 34 H CA 1.585 57.721 56.048 0.147 0.000 1.315 34 H CB -0.226 29.599 29.762 0.106 0.000 1.382 34 H HN 0.452 nan 8.280 nan 0.000 0.523 35 N N -0.030 118.569 118.700 -0.169 0.000 2.453 35 N HA -0.048 4.692 4.740 0.000 0.000 0.183 35 N C 1.189 176.754 175.510 0.092 0.000 1.041 35 N CA 1.028 54.079 53.050 0.002 0.000 0.900 35 N CB -0.040 38.384 38.487 -0.105 0.000 0.961 35 N HN 0.419 nan 8.380 nan 0.000 0.443 36 M N 0.170 119.834 119.600 0.107 0.000 2.506 36 M HA 0.039 4.519 4.480 0.000 0.000 0.260 36 M C -0.079 176.371 176.300 0.251 0.000 1.104 36 M CA 0.470 55.862 55.300 0.154 0.000 1.112 36 M CB 0.513 33.196 32.600 0.138 0.000 1.401 36 M HN -0.126 nan 8.290 nan 0.000 0.473 37 V N 1.192 121.262 119.914 0.259 0.000 2.439 37 V HA 0.272 4.393 4.120 0.000 0.000 0.282 37 V C -0.719 175.590 176.094 0.358 0.000 1.039 37 V CA -0.610 61.848 62.300 0.263 0.000 0.913 37 V CB 0.414 32.395 31.823 0.264 0.000 0.983 37 V HN 0.327 nan 8.190 nan 0.000 0.460 38 Y N 2.478 122.860 120.300 0.136 0.000 2.597 38 Y HA 0.893 5.443 4.550 0.000 0.000 0.340 38 Y C -0.505 175.315 175.900 -0.133 0.000 1.097 38 Y CA -1.362 56.795 58.100 0.096 0.000 1.037 38 Y CB 1.549 40.068 38.460 0.099 0.000 1.305 38 Y HN 0.687 nan 8.280 nan 0.000 0.463 39 A N 1.699 124.404 122.820 -0.192 0.000 2.330 39 A HA 0.666 4.986 4.320 0.000 0.000 0.327 39 A C -0.111 177.492 177.584 0.033 0.000 1.155 39 A CA -0.392 51.385 52.037 -0.433 0.000 0.803 39 A CB 0.512 19.058 19.000 -0.756 0.000 1.208 39 A HN 1.067 nan 8.150 nan 0.000 0.477 40 T N 0.202 114.789 114.554 0.055 0.000 2.918 40 T HA 0.544 4.894 4.350 0.000 0.000 0.302 40 T C 0.414 175.169 174.700 0.092 0.000 1.045 40 T CA 0.399 62.605 62.100 0.177 0.000 1.114 40 T CB 0.726 69.713 68.868 0.199 0.000 0.965 40 T HN 1.429 nan 8.240 nan 0.000 0.540 41 T N -1.722 112.890 114.554 0.095 0.000 2.804 41 T HA 0.483 4.833 4.350 0.000 0.000 0.290 41 T C 1.388 176.117 174.700 0.048 0.000 1.099 41 T CA -0.214 61.927 62.100 0.069 0.000 1.011 41 T CB 1.200 70.114 68.868 0.077 0.000 1.291 41 T HN 0.756 nan 8.240 nan 0.000 0.523 42 S N -0.138 115.584 115.700 0.037 0.000 2.500 42 S HA -0.081 4.389 4.470 0.000 0.000 0.239 42 S C 1.708 176.307 174.600 -0.002 0.000 0.989 42 S CA 0.223 58.431 58.200 0.014 0.000 0.951 42 S CB -0.685 62.524 63.200 0.015 0.000 0.759 42 S HN 0.707 nan 8.310 nan 0.000 0.523 43 R N 1.533 122.040 120.500 0.011 0.000 2.193 43 R HA -0.009 4.331 4.340 0.000 0.000 0.229 43 R C 1.972 178.262 176.300 -0.016 0.000 1.110 43 R CA 1.391 57.491 56.100 -0.000 0.000 0.988 43 R CB -0.426 29.882 30.300 0.013 0.000 0.871 43 R HN 0.722 nan 8.270 nan 0.000 0.458 44 S N -0.895 114.798 115.700 -0.012 0.000 2.554 44 S HA 0.262 4.732 4.470 0.000 0.000 0.226 44 S C 1.764 176.334 174.600 -0.050 0.000 0.980 44 S CA 0.117 58.301 58.200 -0.026 0.000 0.939 44 S CB 0.906 64.101 63.200 -0.007 0.000 0.832 44 S HN 0.244 nan 8.310 nan 0.000 0.486 45 A N 2.247 125.029 122.820 -0.063 0.000 1.927 45 A HA 0.061 4.381 4.320 0.000 0.000 0.220 45 A C 2.301 179.779 177.584 -0.177 0.000 1.185 45 A CA 1.853 53.825 52.037 -0.110 0.000 0.639 45 A CB -1.790 17.137 19.000 -0.121 0.000 0.820 45 A HN 0.700 nan 8.150 nan 0.000 0.451 46 G N -0.253 108.443 108.800 -0.172 0.000 2.469 46 G HA2 -0.214 3.747 3.960 0.000 0.000 0.220 46 G HA3 -0.214 3.747 3.960 0.000 0.000 0.220 46 G C 1.532 176.335 174.900 -0.161 0.000 1.136 46 G CA 1.125 46.102 45.100 -0.205 0.000 0.759 46 G HN 0.476 nan 8.290 nan 0.000 0.562 47 L N -0.437 120.724 121.223 -0.103 0.000 2.056 47 L HA -0.014 4.326 4.340 0.000 0.000 0.207 47 L C 2.906 179.741 176.870 -0.058 0.000 1.078 47 L CA 1.228 56.027 54.840 -0.067 0.000 0.749 47 L CB -0.349 41.682 42.059 -0.048 0.000 0.901 47 L HN 0.147 nan 8.230 nan 0.000 0.433 48 R N 0.503 120.962 120.500 -0.069 0.000 2.075 48 R HA -0.140 4.200 4.340 0.000 0.000 0.232 48 R C 2.265 178.525 176.300 -0.067 0.000 1.126 48 R CA 1.505 57.579 56.100 -0.043 0.000 0.963 48 R CB -0.392 29.886 30.300 -0.036 0.000 0.858 48 R HN 0.350 nan 8.270 nan 0.000 0.435 49 Q N 0.086 119.769 119.800 -0.194 0.000 2.112 49 Q HA -0.233 4.107 4.340 0.000 0.000 0.206 49 Q C 1.997 177.952 176.000 -0.075 0.000 0.987 49 Q CA 2.109 57.731 55.803 -0.302 0.000 0.858 49 Q CB -0.234 28.015 28.738 -0.815 0.000 0.905 49 Q HN 0.315 nan 8.270 nan 0.000 0.420 50 K N 1.195 121.555 120.400 -0.067 0.000 2.057 50 K HA -0.207 4.113 4.320 0.000 0.000 0.207 50 K C 2.072 178.748 176.600 0.126 0.000 1.049 50 K CA 1.393 57.702 56.287 0.037 0.000 0.931 50 K CB -0.008 32.494 32.500 0.005 0.000 0.714 50 K HN -0.028 nan 8.250 nan 0.000 0.440 51 K N 0.668 121.133 120.400 0.109 0.000 2.057 51 K HA -0.083 4.237 4.320 0.000 0.000 0.206 51 K C 1.796 178.582 176.600 0.311 0.000 1.050 51 K CA 1.415 57.804 56.287 0.170 0.000 0.935 51 K CB 0.107 32.674 32.500 0.113 0.000 0.715 51 K HN 0.214 nan 8.250 nan 0.000 0.439 52 V N -1.102 118.971 119.914 0.264 0.000 3.573 52 V HA 0.075 4.195 4.120 0.000 0.000 0.270 52 V C 0.286 176.527 176.094 0.245 0.000 1.221 52 V CA 0.352 62.840 62.300 0.315 0.000 1.163 52 V CB -0.107 31.860 31.823 0.241 0.000 0.847 52 V HN 0.016 nan 8.190 nan 0.000 0.468 53 T N 4.403 119.145 114.554 0.313 0.000 2.753 53 T HA 0.707 5.057 4.350 0.000 0.000 0.297 53 T C -0.757 174.103 174.700 0.266 0.000 0.981 53 T CA -0.003 62.263 62.100 0.278 0.000 0.956 53 T CB 0.262 69.406 68.868 0.460 0.000 0.936 53 T HN 0.652 nan 8.240 nan 0.000 0.463 54 F N -0.034 120.018 119.950 0.170 0.000 2.770 54 F HA 0.579 5.106 4.527 0.000 0.000 0.313 54 F C -1.265 174.570 175.800 0.058 0.000 1.154 54 F CA -1.718 56.342 58.000 0.100 0.000 0.923 54 F CB 0.622 39.672 39.000 0.084 0.000 1.301 54 F HN 0.240 nan 8.300 nan 0.000 0.449 55 D N 1.274 121.860 120.400 0.310 0.000 2.308 55 D HA 0.387 5.027 4.640 0.000 0.000 0.251 55 D C -0.587 175.874 176.300 0.268 0.000 1.127 55 D CA 0.027 54.135 54.000 0.180 0.000 0.876 55 D CB 0.895 41.766 40.800 0.119 0.000 1.176 55 D HN 0.585 nan 8.370 nan 0.000 0.446 56 R N 2.135 122.731 120.500 0.160 0.000 2.404 56 R HA 0.539 4.880 4.340 0.000 0.000 0.291 56 R C -0.762 175.587 176.300 0.083 0.000 1.025 56 R CA -0.801 55.399 56.100 0.166 0.000 0.991 56 R CB 0.908 31.268 30.300 0.100 0.000 1.053 56 R HN 0.369 nan 8.270 nan 0.000 0.479 57 L N 2.079 123.343 121.223 0.067 0.000 2.319 57 L HA 0.427 4.767 4.340 0.000 0.000 0.281 57 L C -1.250 175.625 176.870 0.008 0.000 1.005 57 L CA -0.037 54.818 54.840 0.024 0.000 0.828 57 L CB 1.430 43.495 42.059 0.011 0.000 1.227 57 L HN 0.670 nan 8.230 nan 0.000 0.415 58 Q N 4.179 123.974 119.800 -0.008 0.000 2.274 58 Q HA 0.696 5.036 4.340 0.000 0.000 0.268 58 Q C -2.131 173.845 176.000 -0.039 0.000 1.015 58 Q CA -0.624 55.166 55.803 -0.022 0.000 0.775 58 Q CB 2.222 30.939 28.738 -0.034 0.000 1.256 58 Q HN 0.570 nan 8.270 nan 0.000 0.442 59 V N 5.589 125.483 119.914 -0.034 0.000 2.443 59 V HA 0.441 4.561 4.120 0.000 0.000 0.293 59 V C -0.353 175.738 176.094 -0.005 0.000 1.021 59 V CA -0.637 61.641 62.300 -0.035 0.000 0.848 59 V CB 1.495 33.297 31.823 -0.036 0.000 0.998 59 V HN 0.758 nan 8.190 nan 0.000 0.424 60 L N 4.673 125.857 121.223 -0.065 0.000 2.360 60 L HA 0.749 5.089 4.340 0.000 0.000 0.271 60 L C -0.181 176.717 176.870 0.047 0.000 1.057 60 L CA -0.477 54.306 54.840 -0.095 0.000 0.803 60 L CB 1.571 43.410 42.059 -0.367 0.000 1.207 60 L HN 0.780 nan 8.230 nan 0.000 0.445 61 D N -1.627 118.871 120.400 0.164 0.000 2.758 61 D HA 0.183 4.823 4.640 0.000 0.000 0.279 61 D C 0.066 176.432 176.300 0.111 0.000 1.111 61 D CA -0.613 53.463 54.000 0.126 0.000 1.109 61 D CB 0.532 41.415 40.800 0.139 0.000 1.428 61 D HN 0.281 nan 8.370 nan 0.000 0.586 62 D N -1.192 119.207 120.400 -0.002 0.000 2.144 62 D HA -0.147 4.493 4.640 0.000 0.000 0.199 62 D C 1.671 177.963 176.300 -0.015 0.000 0.984 62 D CA 1.190 55.160 54.000 -0.049 0.000 0.834 62 D CB -0.155 40.561 40.800 -0.140 0.000 0.955 62 D HN 0.398 nan 8.370 nan 0.000 0.465 63 H N -0.509 118.624 119.070 0.106 0.000 2.321 63 H HA -0.151 4.405 4.556 0.000 0.000 0.300 63 H C 2.037 177.389 175.328 0.040 0.000 1.087 63 H CA 1.011 57.109 56.048 0.084 0.000 1.319 63 H CB -0.723 29.120 29.762 0.134 0.000 1.379 63 H HN 0.320 nan 8.280 nan 0.000 0.501 64 Y N 1.929 122.248 120.300 0.033 0.000 2.145 64 Y HA -0.204 4.346 4.550 0.000 0.000 0.286 64 Y C 2.709 178.552 175.900 -0.096 0.000 1.145 64 Y CA 1.529 59.520 58.100 -0.182 0.000 1.148 64 Y CB -0.060 38.193 38.460 -0.346 0.000 0.981 64 Y HN -0.051 nan 8.280 nan 0.000 0.507 65 R N 0.108 120.688 120.500 0.132 0.000 2.081 65 R HA -0.162 4.178 4.340 0.000 0.000 0.235 65 R C 1.764 178.040 176.300 -0.040 0.000 1.131 65 R CA 1.554 57.681 56.100 0.045 0.000 0.960 65 R CB -0.367 29.985 30.300 0.086 0.000 0.856 65 R HN 0.418 nan 8.270 nan 0.000 0.436 66 D N 0.110 120.503 120.400 -0.012 0.000 2.097 66 D HA -0.119 4.521 4.640 0.000 0.000 0.195 66 D C 1.977 178.251 176.300 -0.044 0.000 0.989 66 D CA 1.051 55.044 54.000 -0.010 0.000 0.827 66 D CB -0.230 40.590 40.800 0.033 0.000 0.966 66 D HN -0.002 nan 8.370 nan 0.000 0.456 67 V N 1.059 120.922 119.914 -0.086 0.000 2.407 67 V HA -0.197 3.923 4.120 0.000 0.000 0.248 67 V C 2.440 178.452 176.094 -0.136 0.000 1.055 67 V CA 0.941 63.174 62.300 -0.112 0.000 1.049 67 V CB -0.406 31.314 31.823 -0.173 0.000 0.662 67 V HN 0.129 nan 8.190 nan 0.000 0.455 68 L N 0.566 121.645 121.223 -0.240 0.000 2.046 68 L HA -0.179 4.161 4.340 0.000 0.000 0.208 68 L C 2.440 179.245 176.870 -0.108 0.000 1.077 68 L CA 2.221 56.929 54.840 -0.221 0.000 0.747 68 L CB -0.823 41.052 42.059 -0.306 0.000 0.896 68 L HN 0.291 nan 8.230 nan 0.000 0.432 69 K N -0.411 119.942 120.400 -0.077 0.000 2.032 69 K HA -0.230 4.090 4.320 0.000 0.000 0.209 69 K C 1.921 178.504 176.600 -0.028 0.000 1.048 69 K CA 1.989 58.251 56.287 -0.041 0.000 0.927 69 K CB -0.173 32.312 32.500 -0.025 0.000 0.712 69 K HN 0.501 nan 8.250 nan 0.000 0.441 70 E N 0.243 120.429 120.200 -0.022 0.000 2.110 70 E HA -0.195 4.155 4.350 0.000 0.000 0.193 70 E C 2.114 178.714 176.600 0.000 0.000 0.988 70 E CA 1.633 58.031 56.400 -0.002 0.000 0.804 70 E CB -0.089 29.619 29.700 0.013 0.000 0.745 70 E HN 0.379 nan 8.360 nan 0.000 0.458 71 M N 0.485 120.081 119.600 -0.006 0.000 2.132 71 M HA -0.155 4.325 4.480 0.000 0.000 0.263 71 M C 2.104 178.383 176.300 -0.035 0.000 1.065 71 M CA 1.392 56.685 55.300 -0.012 0.000 1.122 71 M CB -0.086 32.507 32.600 -0.012 0.000 1.365 71 M HN -0.055 nan 8.290 nan 0.000 0.411 72 K N 0.294 120.671 120.400 -0.039 0.000 2.097 72 K HA -0.071 4.249 4.320 0.000 0.000 0.205 72 K C 2.128 178.715 176.600 -0.022 0.000 1.050 72 K CA 1.314 57.581 56.287 -0.034 0.000 0.938 72 K CB -0.249 32.231 32.500 -0.034 0.000 0.718 72 K HN 0.287 nan 8.250 nan 0.000 0.442 73 A N 1.877 124.687 122.820 -0.017 0.000 1.865 73 A HA -0.237 4.083 4.320 0.000 0.000 0.217 73 A C 1.979 179.555 177.584 -0.012 0.000 1.191 73 A CA 1.816 53.847 52.037 -0.010 0.000 0.623 73 A CB -0.348 18.648 19.000 -0.005 0.000 0.826 73 A HN 0.124 nan 8.150 nan 0.000 0.444 74 K N -0.194 120.196 120.400 -0.017 0.000 2.097 74 K HA 0.039 4.359 4.320 0.000 0.000 0.206 74 K C 2.145 178.727 176.600 -0.031 0.000 1.049 74 K CA 1.248 57.520 56.287 -0.025 0.000 0.933 74 K CB -0.393 32.086 32.500 -0.035 0.000 0.717 74 K HN 0.445 nan 8.250 nan 0.000 0.442 75 A N 0.264 123.065 122.820 -0.032 0.000 1.972 75 A HA -0.127 4.193 4.320 0.000 0.000 0.219 75 A C 2.018 179.596 177.584 -0.010 0.000 1.169 75 A CA 1.786 53.808 52.037 -0.025 0.000 0.635 75 A CB -0.531 18.456 19.000 -0.021 0.000 0.810 75 A HN 0.207 nan 8.150 nan 0.000 0.446 76 S N -0.277 115.418 115.700 -0.008 0.000 2.500 76 S HA -0.090 4.381 4.470 0.000 0.000 0.239 76 S C 1.805 176.404 174.600 -0.002 0.000 0.989 76 S CA 1.520 59.719 58.200 -0.001 0.000 0.951 76 S CB -0.456 62.743 63.200 -0.002 0.000 0.759 76 S HN 0.895 nan 8.310 nan 0.000 0.523 77 T N -1.189 113.360 114.554 -0.008 0.000 3.107 77 T HA 0.257 4.607 4.350 0.000 0.000 0.249 77 T C 0.336 175.030 174.700 -0.010 0.000 1.096 77 T CA -0.196 61.899 62.100 -0.008 0.000 1.012 77 T CB -0.139 68.722 68.868 -0.012 0.000 0.977 77 T HN -0.002 nan 8.240 nan 0.000 0.527 78 V N 1.863 121.771 119.914 -0.010 0.000 2.439 78 V HA 0.472 4.592 4.120 0.000 0.000 0.282 78 V C -0.034 176.060 176.094 -0.001 0.000 1.039 78 V CA -0.999 61.294 62.300 -0.012 0.000 0.913 78 V CB 1.470 33.282 31.823 -0.019 0.000 0.983 78 V HN 0.378 nan 8.190 nan 0.000 0.460 79 K N 3.583 123.982 120.400 -0.002 0.000 2.323 79 K HA 0.800 5.121 4.320 0.000 0.000 0.259 79 K C -0.752 175.852 176.600 0.006 0.000 0.947 79 K CA -0.423 55.868 56.287 0.006 0.000 0.819 79 K CB 1.636 34.140 32.500 0.007 0.000 1.109 79 K HN 0.833 nan 8.250 nan 0.000 0.429 80 A N 4.067 126.895 122.820 0.013 0.000 2.386 80 A HA 0.550 4.871 4.320 0.000 0.000 0.311 80 A C -1.173 176.427 177.584 0.027 0.000 1.068 80 A CA -0.955 51.091 52.037 0.015 0.000 0.743 80 A CB 1.167 20.171 19.000 0.007 0.000 1.258 80 A HN 0.624 nan 8.150 nan 0.000 0.429 81 K N 0.754 121.172 120.400 0.031 0.000 2.087 81 K HA 0.475 4.795 4.320 0.000 0.000 0.255 81 K C -0.993 175.633 176.600 0.043 0.000 0.988 81 K CA -0.651 55.657 56.287 0.034 0.000 0.915 81 K CB 1.789 34.306 32.500 0.028 0.000 1.043 81 K HN 0.542 nan 8.250 nan 0.000 0.457 82 L N 2.586 123.830 121.223 0.036 0.000 2.292 82 L HA 0.291 4.631 4.340 0.000 0.000 0.284 82 L C -0.511 176.343 176.870 -0.028 0.000 1.065 82 L CA -0.245 54.611 54.840 0.027 0.000 0.806 82 L CB 0.565 42.653 42.059 0.049 0.000 1.175 82 L HN 0.417 nan 8.230 nan 0.000 0.431 83 L N 3.683 124.872 121.223 -0.056 0.000 2.418 83 L HA 0.385 4.725 4.340 0.000 0.000 0.265 83 L C 0.743 177.497 176.870 -0.194 0.000 1.143 83 L CA -0.464 54.316 54.840 -0.101 0.000 0.809 83 L CB 1.220 43.219 42.059 -0.100 0.000 1.124 83 L HN 0.818 nan 8.230 nan 0.000 0.456 84 S N 0.804 116.401 115.700 -0.173 0.000 2.645 84 S HA 0.226 4.696 4.470 0.000 0.000 0.266 84 S C 1.100 175.551 174.600 -0.248 0.000 1.258 84 S CA -0.969 57.108 58.200 -0.205 0.000 0.990 84 S CB 1.563 64.683 63.200 -0.133 0.000 0.967 84 S HN 0.326 nan 8.310 nan 0.000 0.556 85 V N 1.032 120.779 119.914 -0.278 0.000 2.332 85 V HA -0.183 3.937 4.120 0.000 0.000 0.248 85 V C 2.756 178.730 176.094 -0.199 0.000 1.055 85 V CA 2.373 64.498 62.300 -0.292 0.000 1.038 85 V CB -1.266 30.352 31.823 -0.342 0.000 0.651 85 V HN 1.037 nan 8.190 nan 0.000 0.450 86 E N 0.270 120.379 120.200 -0.151 0.000 2.051 86 E HA -0.260 4.090 4.350 0.000 0.000 0.192 86 E C 2.207 178.732 176.600 -0.124 0.000 0.991 86 E CA 1.637 57.967 56.400 -0.116 0.000 0.799 86 E CB -0.102 29.546 29.700 -0.086 0.000 0.748 86 E HN 0.722 nan 8.360 nan 0.000 0.449 87 E N 0.020 120.139 120.200 -0.135 0.000 2.110 87 E HA -0.190 4.160 4.350 0.000 0.000 0.193 87 E C 1.961 178.444 176.600 -0.196 0.000 0.988 87 E CA 0.917 57.228 56.400 -0.148 0.000 0.804 87 E CB -0.099 29.519 29.700 -0.137 0.000 0.745 87 E HN 0.350 nan 8.360 nan 0.000 0.458 88 A N 0.542 123.242 122.820 -0.200 0.000 1.929 88 A HA -0.131 4.190 4.320 0.000 0.000 0.216 88 A C 2.354 179.835 177.584 -0.172 0.000 1.176 88 A CA 0.795 52.707 52.037 -0.209 0.000 0.628 88 A CB -0.632 18.250 19.000 -0.196 0.000 0.816 88 A HN 0.338 nan 8.150 nan 0.000 0.444 89 C N -0.602 118.609 119.300 -0.149 0.000 2.425 89 C HA -0.049 4.411 4.460 0.000 0.000 0.277 89 C C 2.629 177.553 174.990 -0.109 0.000 1.280 89 C CA 1.392 60.339 59.018 -0.117 0.000 1.744 89 C CB -0.956 26.719 27.740 -0.108 0.000 1.989 89 C HN 0.695 nan 8.230 nan 0.000 0.491 90 K N 0.446 120.781 120.400 -0.109 0.000 2.283 90 K HA 0.003 4.323 4.320 0.000 0.000 0.202 90 K C 1.438 178.001 176.600 -0.061 0.000 1.048 90 K CA 0.896 57.138 56.287 -0.075 0.000 0.948 90 K CB -0.100 32.359 32.500 -0.069 0.000 0.742 90 K HN 0.477 nan 8.250 nan 0.000 0.458 91 L N 0.987 122.126 121.223 -0.139 0.000 2.599 91 L HA 0.032 4.372 4.340 0.000 0.000 0.230 91 L C 0.145 176.935 176.870 -0.133 0.000 1.141 91 L CA 0.077 54.810 54.840 -0.178 0.000 0.877 91 L CB 0.210 42.047 42.059 -0.370 0.000 1.009 91 L HN -0.017 nan 8.230 nan 0.000 0.447 92 T N 1.482 115.966 114.554 -0.116 0.000 2.749 92 T HA 0.243 4.594 4.350 0.000 0.000 0.295 92 T C -2.310 172.251 174.700 -0.232 0.000 0.936 92 T CA -1.212 60.803 62.100 -0.141 0.000 1.060 92 T CB 1.160 69.954 68.868 -0.123 0.000 0.904 92 T HN -0.161 nan 8.240 nan 0.000 0.500 93 P HA 0.122 nan 4.420 nan 0.000 0.265 93 P C -1.881 175.106 177.300 -0.522 0.000 1.193 93 P CA -1.241 61.580 63.100 -0.465 0.000 0.765 93 P CB 0.256 31.817 31.700 -0.232 0.000 0.823 94 P HA -0.167 nan 4.420 nan 0.000 0.218 94 P C 0.552 177.455 177.300 -0.661 0.000 1.146 94 P CA 1.649 64.326 63.100 -0.705 0.000 0.813 94 P CB -0.094 31.082 31.700 -0.872 0.000 0.778 95 H N -2.416 116.532 119.070 -0.204 0.000 2.487 95 H HA 0.270 4.827 4.556 0.000 0.000 0.290 95 H C 0.435 175.683 175.328 -0.132 0.000 1.081 95 H CA -0.249 55.718 56.048 -0.134 0.000 1.116 95 H CB -0.052 29.648 29.762 -0.104 0.000 1.560 95 H HN 0.038 nan 8.280 nan 0.000 0.548 96 S N 1.182 116.816 115.700 -0.110 0.000 2.568 96 S HA 0.318 4.788 4.470 0.000 0.000 0.282 96 S C 0.695 175.239 174.600 -0.094 0.000 1.338 96 S CA -0.534 57.596 58.200 -0.117 0.000 1.045 96 S CB 0.357 63.475 63.200 -0.136 0.000 0.873 96 S HN 0.529 nan 8.310 nan 0.000 0.516 97 A N 4.738 127.485 122.820 -0.122 0.000 2.566 97 A HA 0.187 4.507 4.320 0.000 0.000 0.245 97 A C 0.591 178.143 177.584 -0.053 0.000 1.056 97 A CA 0.043 52.033 52.037 -0.078 0.000 0.757 97 A CB -0.298 18.639 19.000 -0.105 0.000 0.979 97 A HN 0.858 nan 8.150 nan 0.000 0.508 98 K N 2.378 122.748 120.400 -0.049 0.000 2.276 98 K HA 0.355 4.675 4.320 0.000 0.000 0.259 98 K C 0.389 176.913 176.600 -0.127 0.000 1.001 98 K CA 0.085 56.312 56.287 -0.100 0.000 0.927 98 K CB 0.475 32.924 32.500 -0.084 0.000 0.969 98 K HN 0.475 nan 8.250 nan 0.000 0.490 99 S N -0.064 115.452 115.700 -0.307 0.000 2.603 99 S HA 0.052 4.522 4.470 0.000 0.000 0.268 99 S C 0.789 175.286 174.600 -0.171 0.000 1.317 99 S CA -0.617 57.404 58.200 -0.298 0.000 1.012 99 S CB 0.663 63.376 63.200 -0.813 0.000 0.926 99 S HN 0.793 nan 8.310 nan 0.000 0.539 100 K N 1.486 121.856 120.400 -0.050 0.000 2.459 100 K HA 0.078 4.398 4.320 0.000 0.000 0.193 100 K C 0.350 176.808 176.600 -0.236 0.000 1.030 100 K CA 0.845 57.043 56.287 -0.149 0.000 1.026 100 K CB -0.246 32.129 32.500 -0.208 0.000 0.809 100 K HN 0.551 nan 8.250 nan 0.000 0.504 101 F N 1.439 121.313 119.950 -0.126 0.000 2.692 101 F HA 0.292 4.819 4.527 0.000 0.000 0.303 101 F C 1.175 176.921 175.800 -0.089 0.000 1.114 101 F CA 0.244 58.221 58.000 -0.038 0.000 1.361 101 F CB 0.768 39.831 39.000 0.105 0.000 1.063 101 F HN 0.325 nan 8.300 nan 0.000 0.550 102 G N 0.041 108.831 108.800 -0.018 0.000 2.134 102 G HA2 -0.266 3.694 3.960 0.000 0.000 0.209 102 G HA3 -0.266 3.694 3.960 0.000 0.000 0.209 102 G C -0.265 174.671 174.900 0.059 0.000 0.993 102 G CA 0.018 45.126 45.100 0.013 0.000 0.669 102 G HN 0.493 nan 8.290 nan 0.000 0.519 103 Y N -1.882 118.382 120.300 -0.059 0.000 2.644 103 Y HA 0.846 5.396 4.550 0.000 0.000 0.338 103 Y C 0.342 176.220 175.900 -0.035 0.000 1.119 103 Y CA -1.189 56.873 58.100 -0.063 0.000 1.060 103 Y CB 0.941 39.334 38.460 -0.111 0.000 1.294 103 Y HN 0.726 nan 8.280 nan 0.000 0.472 104 G N -0.614 108.259 108.800 0.121 0.000 2.733 104 G HA2 0.531 4.491 3.960 0.000 0.000 0.288 104 G HA3 0.531 4.491 3.960 0.000 0.000 0.288 104 G C -0.030 174.893 174.900 0.038 0.000 1.373 104 G CA -0.742 44.359 45.100 0.002 0.000 0.895 104 G HN 1.158 nan 8.290 nan 0.000 0.479 105 A N -0.080 122.722 122.820 -0.030 0.000 1.908 105 A HA -0.046 4.274 4.320 0.000 0.000 0.218 105 A C 2.116 179.654 177.584 -0.076 0.000 1.181 105 A CA 2.292 54.288 52.037 -0.067 0.000 0.627 105 A CB -0.453 18.470 19.000 -0.129 0.000 0.818 105 A HN 0.613 nan 8.150 nan 0.000 0.445 106 K N -0.495 119.864 120.400 -0.069 0.000 2.057 106 K HA -0.183 4.137 4.320 0.000 0.000 0.207 106 K C 1.351 177.931 176.600 -0.033 0.000 1.049 106 K CA 1.641 57.886 56.287 -0.069 0.000 0.931 106 K CB -0.176 32.293 32.500 -0.051 0.000 0.714 106 K HN 0.440 nan 8.250 nan 0.000 0.440 107 D N 0.177 120.584 120.400 0.011 0.000 2.144 107 D HA -0.140 4.500 4.640 0.000 0.000 0.199 107 D C 1.963 178.266 176.300 0.004 0.000 0.984 107 D CA 0.964 54.980 54.000 0.026 0.000 0.834 107 D CB -0.140 40.713 40.800 0.089 0.000 0.955 107 D HN 0.047 nan 8.370 nan 0.000 0.465 108 V N 1.414 121.344 119.914 0.027 0.000 2.295 108 V HA -0.235 3.885 4.120 0.000 0.000 0.246 108 V C 2.504 178.566 176.094 -0.053 0.000 1.049 108 V CA 1.610 63.905 62.300 -0.008 0.000 1.024 108 V CB -0.368 31.467 31.823 0.019 0.000 0.648 108 V HN 0.135 nan 8.190 nan 0.000 0.447 109 R N 0.282 120.741 120.500 -0.069 0.000 2.096 109 R HA -0.110 4.230 4.340 0.000 0.000 0.235 109 R C 1.939 178.201 176.300 -0.063 0.000 1.127 109 R CA 1.439 57.489 56.100 -0.082 0.000 0.968 109 R CB -0.416 29.815 30.300 -0.116 0.000 0.861 109 R HN 0.482 nan 8.270 nan 0.000 0.440 110 N N 0.765 119.433 118.700 -0.052 0.000 2.515 110 N HA 0.024 4.764 4.740 0.000 0.000 0.185 110 N C 0.327 175.813 175.510 -0.040 0.000 1.109 110 N CA 0.423 53.448 53.050 -0.041 0.000 0.903 110 N CB 0.082 38.550 38.487 -0.031 0.000 0.969 110 N HN 0.133 nan 8.380 nan 0.000 0.450 111 L N 0.481 121.674 121.223 -0.050 0.000 3.717 111 L HA -0.230 4.110 4.340 0.000 0.000 0.414 111 L C 0.088 176.930 176.870 -0.046 0.000 1.228 111 L CA -0.018 54.789 54.840 -0.054 0.000 0.918 111 L CB -2.517 39.513 42.059 -0.049 0.000 1.865 111 L HN 0.156 nan 8.230 nan 0.000 0.922 112 S N -1.146 114.527 115.700 -0.045 0.000 2.568 112 S HA 0.274 4.744 4.470 0.000 0.000 0.282 112 S C 1.522 176.096 174.600 -0.043 0.000 1.338 112 S CA -0.093 58.086 58.200 -0.035 0.000 1.045 112 S CB 1.700 64.886 63.200 -0.023 0.000 0.873 112 S HN 0.473 nan 8.310 nan 0.000 0.516 113 S N 2.574 118.260 115.700 -0.024 0.000 2.374 113 S HA -0.252 4.218 4.470 0.000 0.000 0.227 113 S C 1.719 176.310 174.600 -0.014 0.000 1.037 113 S CA 1.321 59.512 58.200 -0.015 0.000 1.024 113 S CB -0.696 62.502 63.200 -0.004 0.000 0.861 113 S HN 0.857 nan 8.310 nan 0.000 0.456 114 K N 1.804 122.198 120.400 -0.011 0.000 2.002 114 K HA -0.059 4.261 4.320 0.000 0.000 0.209 114 K C 2.438 178.965 176.600 -0.121 0.000 1.048 114 K CA 1.292 57.590 56.287 0.018 0.000 0.930 114 K CB -0.721 31.796 32.500 0.029 0.000 0.714 114 K HN 0.425 nan 8.250 nan 0.000 0.438 115 A N 0.658 123.278 122.820 -0.334 0.000 1.883 115 A HA -0.132 4.188 4.320 0.000 0.000 0.217 115 A C 2.269 179.588 177.584 -0.443 0.000 1.186 115 A CA 1.816 53.391 52.037 -0.770 0.000 0.624 115 A CB -0.771 17.975 19.000 -0.423 0.000 0.822 115 A HN 0.208 nan 8.150 nan 0.000 0.444 116 V N 0.979 120.776 119.914 -0.195 0.000 2.407 116 V HA -0.255 3.866 4.120 0.000 0.000 0.248 116 V C 2.258 178.373 176.094 0.035 0.000 1.055 116 V CA 2.134 64.380 62.300 -0.089 0.000 1.049 116 V CB -0.956 30.856 31.823 -0.018 0.000 0.662 116 V HN 0.559 nan 8.190 nan 0.000 0.455 117 N N -0.361 118.357 118.700 0.030 0.000 2.171 117 N HA -0.130 4.610 4.740 0.000 0.000 0.184 117 N C 1.770 177.261 175.510 -0.032 0.000 1.021 117 N CA 1.403 54.476 53.050 0.038 0.000 0.854 117 N CB -0.431 38.040 38.487 -0.027 0.000 0.994 117 N HN 0.586 nan 8.380 nan 0.000 0.426 118 H N 0.640 119.611 119.070 -0.164 0.000 2.389 118 H HA 0.130 4.686 4.556 0.000 0.000 0.299 118 H C 2.034 177.282 175.328 -0.134 0.000 1.081 118 H CA 0.856 56.798 56.048 -0.177 0.000 1.345 118 H CB -0.153 29.459 29.762 -0.249 0.000 1.393 118 H HN 0.170 nan 8.280 nan 0.000 0.520 119 I N -0.389 120.150 120.570 -0.051 0.000 2.286 119 I HA -0.292 3.879 4.170 0.000 0.000 0.248 119 I C 1.853 177.944 176.117 -0.044 0.000 1.115 119 I CA 1.457 62.715 61.300 -0.070 0.000 1.392 119 I CB -0.257 37.634 38.000 -0.182 0.000 1.065 119 I HN 0.368 nan 8.210 nan 0.000 0.418 120 H N -0.164 118.900 119.070 -0.009 0.000 2.357 120 H HA -0.089 4.467 4.556 0.000 0.000 0.301 120 H C 2.547 177.914 175.328 0.065 0.000 1.082 120 H CA 1.659 57.731 56.048 0.040 0.000 1.342 120 H CB 0.111 29.868 29.762 -0.009 0.000 1.389 120 H HN 0.169 nan 8.280 nan 0.000 0.511 121 S N -0.184 115.578 115.700 0.102 0.000 2.356 121 S HA -0.160 4.310 4.470 0.000 0.000 0.223 121 S C 2.406 177.022 174.600 0.025 0.000 1.032 121 S CA 1.237 59.447 58.200 0.016 0.000 1.005 121 S CB -0.332 62.808 63.200 -0.101 0.000 0.867 121 S HN 0.142 nan 8.310 nan 0.000 0.449 122 V N 1.110 121.040 119.914 0.027 0.000 2.295 122 V HA -0.186 3.934 4.120 0.000 0.000 0.246 122 V C 1.934 178.088 176.094 0.099 0.000 1.049 122 V CA 1.570 63.891 62.300 0.035 0.000 1.024 122 V CB -0.693 31.156 31.823 0.043 0.000 0.648 122 V HN 0.699 nan 8.190 nan 0.000 0.447 123 W N 1.442 122.719 121.300 -0.038 0.000 2.358 123 W HA -0.240 4.420 4.660 0.000 0.000 0.303 123 W C 2.542 179.056 176.519 -0.008 0.000 1.208 123 W CA 2.309 59.639 57.345 -0.026 0.000 1.274 123 W CB -0.050 29.390 29.460 -0.035 0.000 1.138 123 W HN 0.277 nan 8.180 nan 0.000 0.515 124 K N 0.745 121.194 120.400 0.082 0.000 2.026 124 K HA -0.277 4.043 4.320 0.000 0.000 0.208 124 K C 1.740 178.283 176.600 -0.096 0.000 1.048 124 K CA 2.315 58.592 56.287 -0.016 0.000 0.929 124 K CB -0.762 31.767 32.500 0.048 0.000 0.713 124 K HN 0.003 nan 8.250 nan 0.000 0.439 125 D N 0.282 120.644 120.400 -0.064 0.000 2.149 125 D HA -0.157 4.483 4.640 0.000 0.000 0.198 125 D C 2.057 178.285 176.300 -0.120 0.000 0.990 125 D CA 1.052 55.009 54.000 -0.071 0.000 0.839 125 D CB 0.045 40.821 40.800 -0.040 0.000 0.948 125 D HN 0.256 nan 8.370 nan 0.000 0.460 126 L N -0.136 120.979 121.223 -0.180 0.000 2.046 126 L HA -0.132 4.208 4.340 0.000 0.000 0.208 126 L C 2.445 179.137 176.870 -0.297 0.000 1.077 126 L CA 0.680 55.372 54.840 -0.246 0.000 0.747 126 L CB -0.294 41.563 42.059 -0.337 0.000 0.896 126 L HN 0.230 nan 8.230 nan 0.000 0.432 127 L N -0.882 120.116 121.223 -0.376 0.000 2.109 127 L HA -0.167 4.173 4.340 0.000 0.000 0.207 127 L C 2.370 179.134 176.870 -0.176 0.000 1.086 127 L CA 1.223 55.874 54.840 -0.316 0.000 0.760 127 L CB -0.384 41.468 42.059 -0.346 0.000 0.910 127 L HN 0.302 nan 8.230 nan 0.000 0.437 128 E N -0.811 119.306 120.200 -0.138 0.000 2.060 128 E HA -0.090 4.260 4.350 0.000 0.000 0.189 128 E C 0.446 177.001 176.600 -0.073 0.000 0.974 128 E CA 0.338 56.686 56.400 -0.087 0.000 0.808 128 E CB 0.222 29.884 29.700 -0.064 0.000 0.768 128 E HN 0.178 nan 8.360 nan 0.000 0.453 129 D N 0.632 120.985 120.400 -0.078 0.000 2.329 129 D HA 0.038 4.678 4.640 0.000 0.000 0.232 129 D C -0.212 176.045 176.300 -0.072 0.000 1.088 129 D CA -0.123 53.841 54.000 -0.060 0.000 0.835 129 D CB 1.253 42.026 40.800 -0.045 0.000 1.078 129 D HN 0.006 nan 8.370 nan 0.000 0.495 130 T N 0.568 115.086 114.554 -0.059 0.000 3.266 130 T HA 0.270 4.620 4.350 0.000 0.000 0.278 130 T C 0.874 175.550 174.700 -0.041 0.000 1.010 130 T CA -0.277 61.787 62.100 -0.060 0.000 0.909 130 T CB 0.133 68.968 68.868 -0.056 0.000 1.122 130 T HN 0.145 nan 8.240 nan 0.000 0.536 131 V N 0.103 119.997 119.914 -0.032 0.000 3.102 131 V HA 0.188 4.308 4.120 0.000 0.000 0.225 131 V C 0.993 177.084 176.094 -0.006 0.000 1.301 131 V CA 0.272 62.562 62.300 -0.017 0.000 1.308 131 V CB 0.011 31.826 31.823 -0.013 0.000 1.129 131 V HN 0.481 nan 8.190 nan 0.000 0.502 132 T N 4.157 118.708 114.554 -0.006 0.000 2.831 132 T HA 0.135 4.485 4.350 0.000 0.000 0.291 132 T C -2.436 172.271 174.700 0.011 0.000 0.981 132 T CA -0.310 61.794 62.100 0.008 0.000 1.174 132 T CB 0.451 69.324 68.868 0.008 0.000 0.929 132 T HN 0.170 nan 8.240 nan 0.000 0.532 133 P HA 0.135 nan 4.420 nan 0.000 0.264 133 P C -0.131 177.176 177.300 0.013 0.000 1.193 133 P CA -0.032 63.089 63.100 0.036 0.000 0.763 133 P CB 0.258 32.023 31.700 0.108 0.000 0.810 134 I N 2.890 123.450 120.570 -0.016 0.000 2.371 134 I HA 0.099 4.270 4.170 0.000 0.000 0.290 134 I C 1.027 177.136 176.117 -0.015 0.000 1.028 134 I CA -0.344 60.952 61.300 -0.007 0.000 1.345 134 I CB 0.500 38.487 38.000 -0.022 0.000 1.407 134 I HN 0.314 nan 8.210 nan 0.000 0.501 135 D N 4.786 125.191 120.400 0.009 0.000 2.423 135 D HA 0.163 4.803 4.640 0.000 0.000 0.238 135 D C -0.171 176.107 176.300 -0.036 0.000 1.142 135 D CA 0.343 54.336 54.000 -0.012 0.000 0.884 135 D CB 0.820 41.627 40.800 0.012 0.000 1.199 135 D HN 0.644 nan 8.370 nan 0.000 0.438 136 T N -1.052 113.451 114.554 -0.084 0.000 2.883 136 T HA 0.622 4.972 4.350 0.000 0.000 0.296 136 T C -0.525 174.038 174.700 -0.228 0.000 1.117 136 T CA -0.928 61.086 62.100 -0.144 0.000 1.006 136 T CB 1.507 70.303 68.868 -0.121 0.000 1.191 136 T HN 0.201 nan 8.240 nan 0.000 0.508 137 T N 2.042 116.313 114.554 -0.471 0.000 2.824 137 T HA 0.611 4.962 4.350 0.000 0.000 0.280 137 T C -0.551 173.863 174.700 -0.477 0.000 0.995 137 T CA -0.604 61.182 62.100 -0.523 0.000 1.009 137 T CB 0.833 69.227 68.868 -0.789 0.000 0.955 137 T HN 0.737 nan 8.240 nan 0.000 0.452 138 I N 4.287 124.743 120.570 -0.190 0.000 2.378 138 I HA 0.536 4.706 4.170 0.000 0.000 0.291 138 I C -1.054 175.067 176.117 0.007 0.000 0.992 138 I CA -0.770 60.502 61.300 -0.045 0.000 1.154 138 I CB 0.631 38.668 38.000 0.061 0.000 1.315 138 I HN 0.409 nan 8.210 nan 0.000 0.448 139 M N 6.330 125.978 119.600 0.079 0.000 2.572 139 M HA 0.508 4.988 4.480 0.000 0.000 0.299 139 M C -0.559 175.800 176.300 0.099 0.000 1.205 139 M CA -0.612 54.753 55.300 0.109 0.000 0.876 139 M CB 1.843 34.565 32.600 0.202 0.000 1.728 139 M HN 0.590 nan 8.290 nan 0.000 0.458 140 A N 2.313 125.175 122.820 0.071 0.000 2.320 140 A HA 0.487 4.807 4.320 0.000 0.000 0.287 140 A C -0.032 177.595 177.584 0.072 0.000 1.181 140 A CA -0.459 51.612 52.037 0.058 0.000 0.831 140 A CB 0.294 19.314 19.000 0.034 0.000 1.102 140 A HN 0.742 nan 8.150 nan 0.000 0.513 141 K N 1.911 122.357 120.400 0.076 0.000 2.270 141 K HA 0.115 4.435 4.320 0.000 0.000 0.276 141 K C -0.636 175.989 176.600 0.042 0.000 1.023 141 K CA 0.028 56.353 56.287 0.064 0.000 0.955 141 K CB 0.620 33.163 32.500 0.072 0.000 0.975 141 K HN 0.767 nan 8.250 nan 0.000 0.471 142 N N 2.604 121.308 118.700 0.007 0.000 2.589 142 N HA 0.098 4.838 4.740 0.000 0.000 0.232 142 N C -1.207 174.221 175.510 -0.137 0.000 1.015 142 N CA -0.260 52.766 53.050 -0.040 0.000 0.931 142 N CB 0.946 39.420 38.487 -0.022 0.000 1.150 142 N HN 0.370 nan 8.380 nan 0.000 0.512 143 E N 0.885 120.986 120.200 -0.165 0.000 2.256 143 E HA 0.438 4.788 4.350 0.000 0.000 0.267 143 E C -0.824 175.396 176.600 -0.634 0.000 0.892 143 E CA -0.955 55.228 56.400 -0.361 0.000 0.775 143 E CB 2.479 32.035 29.700 -0.240 0.000 1.207 143 E HN 0.091 nan 8.360 nan 0.000 0.420 144 V N 3.420 122.786 119.914 -0.914 0.000 2.439 144 V HA 0.478 4.598 4.120 0.000 0.000 0.282 144 V C -0.708 174.696 176.094 -1.151 0.000 1.039 144 V CA -0.182 61.531 62.300 -0.978 0.000 0.913 144 V CB 0.177 31.479 31.823 -0.868 0.000 0.983 144 V HN 0.532 nan 8.190 nan 0.000 0.460 145 F N 2.175 121.707 119.950 -0.696 0.000 2.692 145 F HA 0.599 5.126 4.527 0.000 0.000 0.320 145 F C 0.023 175.591 175.800 -0.387 0.000 1.123 145 F CA -0.701 57.007 58.000 -0.487 0.000 0.961 145 F CB 1.392 40.137 39.000 -0.425 0.000 1.383 145 F HN 0.542 nan 8.300 nan 0.000 0.483 146 C N 2.589 121.977 119.300 0.145 0.000 2.358 146 C HA 0.781 5.241 4.460 0.000 0.000 0.342 146 C C 0.095 175.299 174.990 0.356 0.000 1.234 146 C CA -0.741 58.398 59.018 0.202 0.000 1.969 146 C CB 0.086 27.902 27.740 0.126 0.000 2.346 146 C HN 0.728 nan 8.230 nan 0.000 0.525 147 V N 5.177 125.314 119.914 0.372 0.000 2.843 147 V HA 0.136 4.257 4.120 0.000 0.000 0.305 147 V C 0.339 176.513 176.094 0.134 0.000 1.120 147 V CA 0.210 62.653 62.300 0.238 0.000 1.254 147 V CB -0.156 31.722 31.823 0.092 0.000 0.901 147 V HN 0.962 nan 8.190 nan 0.000 0.503 148 Q N 4.986 124.829 119.800 0.072 0.000 2.386 148 Q HA 0.208 4.548 4.340 0.000 0.000 0.282 148 Q C -2.040 173.969 176.000 0.015 0.000 1.050 148 Q CA -1.113 54.708 55.803 0.030 0.000 0.918 148 Q CB 0.108 28.841 28.738 -0.008 0.000 1.266 148 Q HN 0.733 nan 8.270 nan 0.000 0.423 149 P HA -0.153 nan 4.420 nan 0.000 0.263 149 P C -0.935 176.362 177.300 -0.005 0.000 1.195 149 P CA 0.543 63.646 63.100 0.004 0.000 0.762 149 P CB 0.432 32.132 31.700 -0.000 0.000 0.799 150 E N 1.768 121.964 120.200 -0.007 0.000 7.284 150 E HA -0.185 4.165 4.350 0.000 0.000 0.335 150 E C -0.147 176.443 176.600 -0.018 0.000 0.856 150 E CA 0.133 56.525 56.400 -0.012 0.000 1.267 150 E CB -1.010 28.684 29.700 -0.012 0.000 0.931 150 E HN 0.547 nan 8.360 nan 0.000 0.275 151 K N 0.998 121.385 120.400 -0.022 0.000 3.826 151 K HA -0.258 4.062 4.320 0.000 0.000 0.241 151 K C 1.505 178.084 176.600 -0.035 0.000 0.684 151 K CA 0.807 57.077 56.287 -0.030 0.000 0.599 151 K CB -0.884 31.598 32.500 -0.030 0.000 1.633 151 K HN 0.666 nan 8.250 nan 0.000 0.437 152 G N 0.268 109.048 108.800 -0.034 0.000 2.534 152 G HA2 0.144 4.104 3.960 0.000 0.000 0.217 152 G HA3 0.144 4.104 3.960 0.000 0.000 0.217 152 G C 0.839 175.705 174.900 -0.057 0.000 1.128 152 G CA 0.391 45.468 45.100 -0.039 0.000 0.784 152 G HN 0.676 nan 8.290 nan 0.000 0.542 153 G N -0.384 108.374 108.800 -0.070 0.000 2.466 153 G HA2 -0.161 3.799 3.960 0.000 0.000 0.218 153 G HA3 -0.161 3.799 3.960 0.000 0.000 0.218 153 G C -0.269 174.529 174.900 -0.171 0.000 1.237 153 G CA -0.357 44.673 45.100 -0.116 0.000 0.954 153 G HN 0.624 nan 8.290 nan 0.000 0.580 154 R N 0.118 120.463 120.500 -0.258 0.000 2.828 154 R HA 0.610 4.950 4.340 0.000 0.000 0.264 154 R C -0.292 175.921 176.300 -0.144 0.000 1.022 154 R CA -0.882 54.985 56.100 -0.387 0.000 1.021 154 R CB 1.397 31.201 30.300 -0.827 0.000 1.163 154 R HN 0.479 nan 8.270 nan 0.000 0.494 155 K N 1.721 122.115 120.400 -0.010 0.000 2.172 155 K HA 0.290 4.610 4.320 0.000 0.000 0.276 155 K C -2.316 174.291 176.600 0.011 0.000 1.013 155 K CA -1.688 54.566 56.287 -0.055 0.000 0.913 155 K CB 0.811 33.169 32.500 -0.238 0.000 1.055 155 K HN 0.245 nan 8.250 nan 0.000 0.461 156 P HA -0.037 nan 4.420 nan 0.000 0.269 156 P C -0.942 176.383 177.300 0.043 0.000 1.215 156 P CA -0.188 62.917 63.100 0.008 0.000 0.780 156 P CB 0.599 32.291 31.700 -0.012 0.000 0.898 157 A N 3.184 126.038 122.820 0.056 0.000 2.462 157 A HA 0.165 4.485 4.320 0.000 0.000 0.243 157 A C 0.486 178.109 177.584 0.065 0.000 1.076 157 A CA -0.094 51.991 52.037 0.080 0.000 0.773 157 A CB -0.067 18.973 19.000 0.066 0.000 1.010 157 A HN 0.447 nan 8.150 nan 0.000 0.493 158 R N 0.569 121.125 120.500 0.093 0.000 2.560 158 R HA 0.475 4.815 4.340 0.000 0.000 0.270 158 R C -0.805 175.547 176.300 0.086 0.000 1.074 158 R CA -0.290 55.865 56.100 0.093 0.000 1.140 158 R CB 0.495 30.868 30.300 0.121 0.000 1.073 158 R HN 0.662 nan 8.270 nan 0.000 0.527 159 L N 2.479 123.757 121.223 0.091 0.000 2.317 159 L HA 0.496 4.836 4.340 0.000 0.000 0.281 159 L C -0.411 176.543 176.870 0.141 0.000 1.024 159 L CA -0.958 53.939 54.840 0.095 0.000 0.810 159 L CB 1.479 43.577 42.059 0.064 0.000 1.240 159 L HN 0.430 nan 8.230 nan 0.000 0.427 160 I N 2.961 123.629 120.570 0.163 0.000 2.433 160 I HA 0.509 4.679 4.170 0.000 0.000 0.292 160 I C -0.806 175.458 176.117 0.245 0.000 1.001 160 I CA -0.348 61.087 61.300 0.224 0.000 1.119 160 I CB 1.856 40.007 38.000 0.251 0.000 1.289 160 I HN 0.205 nan 8.210 nan 0.000 0.438 161 V N 8.845 128.904 119.914 0.242 0.000 2.444 161 V HA 0.600 4.720 4.120 0.000 0.000 0.294 161 V C -0.777 175.445 176.094 0.214 0.000 1.022 161 V CA -0.502 61.877 62.300 0.133 0.000 0.850 161 V CB 1.026 32.925 31.823 0.127 0.000 0.992 161 V HN 0.605 nan 8.190 nan 0.000 0.426 162 F N 4.729 124.725 119.950 0.076 0.000 2.619 162 F HA 0.946 5.473 4.527 0.000 0.000 0.308 162 F C -3.116 172.722 175.800 0.064 0.000 1.097 162 F CA -2.575 55.469 58.000 0.074 0.000 0.953 162 F CB 1.834 40.873 39.000 0.064 0.000 1.287 162 F HN 0.302 nan 8.300 nan 0.000 0.446 163 P HA 0.192 nan 4.420 nan 0.000 0.280 163 P C -1.030 176.421 177.300 0.252 0.000 1.272 163 P CA -0.175 63.019 63.100 0.155 0.000 0.819 163 P CB 1.378 33.157 31.700 0.133 0.000 1.122 164 D N -0.286 120.222 120.400 0.180 0.000 2.443 164 D HA -0.106 4.534 4.640 0.000 0.000 0.234 164 D C 1.394 177.792 176.300 0.163 0.000 1.172 164 D CA -0.167 53.947 54.000 0.191 0.000 0.878 164 D CB 0.315 41.242 40.800 0.212 0.000 1.204 164 D HN 0.127 nan 8.370 nan 0.000 0.453 165 L N 3.794 125.083 121.223 0.110 0.000 2.051 165 L HA -0.080 4.260 4.340 0.000 0.000 0.214 165 L C 2.083 179.024 176.870 0.118 0.000 1.076 165 L CA 2.688 57.569 54.840 0.068 0.000 0.758 165 L CB -1.184 40.858 42.059 -0.029 0.000 0.890 165 L HN 0.670 nan 8.230 nan 0.000 0.433 166 G N -1.306 107.590 108.800 0.161 0.000 2.442 166 G HA2 -0.216 3.744 3.960 0.000 0.000 0.219 166 G HA3 -0.216 3.744 3.960 0.000 0.000 0.219 166 G C 1.526 176.502 174.900 0.126 0.000 1.141 166 G CA 1.138 46.357 45.100 0.199 0.000 0.763 166 G HN 0.384 nan 8.290 nan 0.000 0.554 167 V N 0.662 120.646 119.914 0.117 0.000 2.427 167 V HA -0.133 3.987 4.120 0.000 0.000 0.248 167 V C 2.905 179.072 176.094 0.122 0.000 1.051 167 V CA 1.771 64.138 62.300 0.111 0.000 1.048 167 V CB -0.439 31.444 31.823 0.100 0.000 0.666 167 V HN 0.331 nan 8.190 nan 0.000 0.456 168 R N -0.180 120.392 120.500 0.120 0.000 2.081 168 R HA -0.128 4.212 4.340 0.000 0.000 0.235 168 R C 2.257 178.605 176.300 0.079 0.000 1.131 168 R CA 1.498 57.663 56.100 0.107 0.000 0.960 168 R CB -0.708 29.642 30.300 0.084 0.000 0.856 168 R HN 0.420 nan 8.270 nan 0.000 0.436 169 V N 0.689 120.637 119.914 0.057 0.000 2.343 169 V HA -0.313 3.807 4.120 0.000 0.000 0.247 169 V C 2.530 178.631 176.094 0.012 0.000 1.051 169 V CA 1.685 63.988 62.300 0.006 0.000 1.036 169 V CB -0.517 31.298 31.823 -0.014 0.000 0.654 169 V HN 0.456 nan 8.190 nan 0.000 0.451 170 C N -0.237 119.115 119.300 0.087 0.000 2.422 170 C HA -0.127 4.333 4.460 0.000 0.000 0.279 170 C C 2.645 177.786 174.990 0.253 0.000 1.305 170 C CA 0.766 59.909 59.018 0.208 0.000 1.757 170 C CB -1.051 26.913 27.740 0.373 0.000 1.962 170 C HN 0.622 nan 8.230 nan 0.000 0.499 171 E N 0.908 121.222 120.200 0.191 0.000 2.051 171 E HA -0.209 4.141 4.350 0.000 0.000 0.192 171 E C 2.169 178.876 176.600 0.179 0.000 0.991 171 E CA 1.142 57.668 56.400 0.210 0.000 0.799 171 E CB -0.133 29.699 29.700 0.220 0.000 0.748 171 E HN 0.632 nan 8.360 nan 0.000 0.449 172 K N 0.448 120.921 120.400 0.121 0.000 2.009 172 K HA -0.145 4.175 4.320 0.000 0.000 0.210 172 K C 2.247 178.891 176.600 0.072 0.000 1.049 172 K CA 1.609 57.959 56.287 0.104 0.000 0.929 172 K CB -0.174 32.313 32.500 -0.021 0.000 0.714 172 K HN 0.119 nan 8.250 nan 0.000 0.440 173 M N 0.310 119.890 119.600 -0.032 0.000 2.106 173 M HA -0.218 4.263 4.480 0.000 0.000 0.259 173 M C 2.459 178.764 176.300 0.009 0.000 1.068 173 M CA 1.895 57.108 55.300 -0.147 0.000 1.100 173 M CB -0.464 31.829 32.600 -0.511 0.000 1.351 173 M HN 0.256 nan 8.290 nan 0.000 0.404 174 A N -0.393 122.541 122.820 0.191 0.000 1.898 174 A HA 0.059 4.379 4.320 0.000 0.000 0.214 174 A C 1.868 179.542 177.584 0.149 0.000 1.183 174 A CA 1.111 53.318 52.037 0.282 0.000 0.622 174 A CB -0.224 19.011 19.000 0.391 0.000 0.824 174 A HN 0.480 nan 8.150 nan 0.000 0.444 175 L N -2.771 118.524 121.223 0.121 0.000 2.966 175 L HA 0.204 4.544 4.340 0.000 0.000 0.262 175 L C 1.820 178.711 176.870 0.035 0.000 1.165 175 L CA -0.019 54.833 54.840 0.020 0.000 0.978 175 L CB 0.005 42.033 42.059 -0.051 0.000 1.337 175 L HN 0.461 nan 8.230 nan 0.000 0.563 176 Y N 1.589 121.897 120.300 0.012 0.000 2.081 176 Y HA -0.384 4.166 4.550 0.000 0.000 0.280 176 Y C 2.253 178.178 175.900 0.042 0.000 1.163 176 Y CA 2.398 60.521 58.100 0.039 0.000 1.135 176 Y CB 0.005 38.477 38.460 0.020 0.000 0.970 176 Y HN 0.254 nan 8.280 nan 0.000 0.498 177 D N -0.797 119.656 120.400 0.088 0.000 2.149 177 D HA -0.178 4.462 4.640 0.000 0.000 0.198 177 D C 2.164 178.409 176.300 -0.090 0.000 0.990 177 D CA 1.579 55.580 54.000 0.002 0.000 0.839 177 D CB -0.219 40.621 40.800 0.067 0.000 0.948 177 D HN 0.266 nan 8.370 nan 0.000 0.460 178 V N 0.388 120.246 119.914 -0.092 0.000 2.261 178 V HA -0.228 3.892 4.120 0.000 0.000 0.246 178 V C 2.683 178.664 176.094 -0.188 0.000 1.047 178 V CA 1.799 64.019 62.300 -0.135 0.000 1.015 178 V CB -0.780 30.929 31.823 -0.191 0.000 0.642 178 V HN 0.347 nan 8.190 nan 0.000 0.446 179 V N -2.227 117.548 119.914 -0.231 0.000 2.913 179 V HA -0.101 4.019 4.120 0.000 0.000 0.260 179 V C 2.013 177.941 176.094 -0.277 0.000 1.098 179 V CA 2.096 64.251 62.300 -0.241 0.000 1.121 179 V CB -0.470 31.225 31.823 -0.212 0.000 0.714 179 V HN 0.464 nan 8.190 nan 0.000 0.487 180 S N 0.879 116.413 115.700 -0.277 0.000 2.458 180 S HA -0.027 4.443 4.470 0.000 0.000 0.223 180 S C 1.941 176.446 174.600 -0.158 0.000 1.019 180 S CA 1.367 59.426 58.200 -0.234 0.000 0.937 180 S CB 0.088 63.111 63.200 -0.295 0.000 0.788 180 S HN 0.940 nan 8.310 nan 0.000 0.511 181 T N -0.672 113.789 114.554 -0.156 0.000 3.026 181 T HA 0.226 4.576 4.350 0.000 0.000 0.245 181 T C 1.671 176.272 174.700 -0.165 0.000 1.004 181 T CA -0.003 62.021 62.100 -0.126 0.000 1.069 181 T CB -0.552 68.269 68.868 -0.077 0.000 1.005 181 T HN 0.131 nan 8.240 nan 0.000 0.472 182 L N 2.764 123.889 121.223 -0.164 0.000 2.042 182 L HA 0.179 4.519 4.340 0.000 0.000 0.210 182 L C -0.942 175.770 176.870 -0.263 0.000 1.076 182 L CA 1.915 56.661 54.840 -0.156 0.000 0.749 182 L CB -1.147 40.868 42.059 -0.074 0.000 0.893 182 L HN 0.139 nan 8.230 nan 0.000 0.432 183 P HA -0.223 nan 4.420 nan 0.000 0.215 183 P C 1.493 178.334 177.300 -0.765 0.000 1.157 183 P CA 1.367 64.033 63.100 -0.723 0.000 0.874 183 P CB -0.175 30.771 31.700 -1.257 0.000 0.790 184 Q N -0.017 119.389 119.800 -0.657 0.000 2.119 184 Q HA -0.105 4.235 4.340 0.000 0.000 0.201 184 Q C 1.965 177.834 176.000 -0.218 0.000 0.972 184 Q CA 1.514 57.119 55.803 -0.329 0.000 0.847 184 Q CB -0.771 27.877 28.738 -0.150 0.000 0.903 184 Q HN 0.080 nan 8.270 nan 0.000 0.433 185 V N 0.065 119.860 119.914 -0.199 0.000 2.307 185 V HA -0.204 3.916 4.120 0.000 0.000 0.245 185 V C 2.554 178.564 176.094 -0.140 0.000 1.045 185 V CA 1.456 63.676 62.300 -0.133 0.000 1.024 185 V CB -0.542 31.220 31.823 -0.101 0.000 0.651 185 V HN 0.124 nan 8.190 nan 0.000 0.449 186 V N -0.614 119.188 119.914 -0.188 0.000 2.427 186 V HA -0.221 3.900 4.120 0.000 0.000 0.248 186 V C 2.084 178.020 176.094 -0.263 0.000 1.051 186 V CA 2.212 64.398 62.300 -0.189 0.000 1.048 186 V CB -0.461 31.240 31.823 -0.203 0.000 0.666 186 V HN 0.483 nan 8.190 nan 0.000 0.456 187 M N -1.419 117.958 119.600 -0.372 0.000 2.414 187 M HA 0.372 4.853 4.480 0.000 0.000 0.251 187 M C 1.409 177.597 176.300 -0.186 0.000 1.116 187 M CA 0.765 55.770 55.300 -0.492 0.000 1.056 187 M CB 0.525 32.694 32.600 -0.718 0.000 1.388 187 M HN 0.459 nan 8.290 nan 0.000 0.487 188 G N 1.527 110.251 108.800 -0.127 0.000 2.574 188 G HA2 -0.374 3.586 3.960 0.000 0.000 0.286 188 G HA3 -0.374 3.586 3.960 0.000 0.000 0.286 188 G C 0.751 175.625 174.900 -0.044 0.000 1.212 188 G CA 0.640 45.709 45.100 -0.051 0.000 0.979 188 G HN 0.526 nan 8.290 nan 0.000 0.557 189 S N -0.525 115.177 115.700 0.002 0.000 2.547 189 S HA 0.107 4.577 4.470 0.000 0.000 0.235 189 S C 2.128 176.633 174.600 -0.158 0.000 0.980 189 S CA 1.887 60.052 58.200 -0.059 0.000 0.941 189 S CB -0.038 63.223 63.200 0.102 0.000 0.763 189 S HN 1.048 nan 8.310 nan 0.000 0.532 190 S N 0.135 115.843 115.700 0.014 0.000 2.489 190 S HA 0.142 4.613 4.470 0.000 0.000 0.228 190 S C 0.197 174.811 174.600 0.023 0.000 0.995 190 S CA -0.177 58.075 58.200 0.088 0.000 0.934 190 S CB -0.373 63.000 63.200 0.289 0.000 0.771 190 S HN 0.703 nan 8.310 nan 0.000 0.522 191 Y N 2.827 123.009 120.300 -0.198 0.000 2.531 191 Y HA 0.456 5.006 4.550 0.000 0.000 0.347 191 Y C 1.219 176.937 175.900 -0.303 0.000 1.024 191 Y CA -1.283 56.671 58.100 -0.243 0.000 1.306 191 Y CB 0.210 38.522 38.460 -0.247 0.000 1.149 191 Y HN 0.052 nan 8.280 nan 0.000 0.527 192 G N 4.483 112.823 108.800 -0.767 0.000 2.551 192 G HA2 -0.181 3.779 3.960 0.000 0.000 0.216 192 G HA3 -0.181 3.779 3.960 0.000 0.000 0.216 192 G C 1.043 175.470 174.900 -0.788 0.000 1.137 192 G CA -0.014 44.719 45.100 -0.612 0.000 0.798 192 G HN 0.696 nan 8.290 nan 0.000 0.536 193 F N 1.110 120.413 119.950 -1.079 0.000 2.748 193 F HA 0.045 4.572 4.527 0.000 0.000 0.299 193 F C 2.813 178.428 175.800 -0.308 0.000 1.154 193 F CA 0.784 58.252 58.000 -0.887 0.000 1.446 193 F CB 0.240 38.653 39.000 -0.978 0.000 1.112 193 F HN 0.285 nan 8.300 nan 0.000 0.584 194 Q N -0.313 119.295 119.800 -0.319 0.000 2.451 194 Q HA -0.015 4.325 4.340 0.000 0.000 0.206 194 Q C -0.548 175.323 176.000 -0.214 0.000 0.947 194 Q CA 0.523 56.201 55.803 -0.208 0.000 0.937 194 Q CB -0.243 28.253 28.738 -0.403 0.000 1.025 194 Q HN 0.403 nan 8.270 nan 0.000 0.511 195 Y N 1.668 122.009 120.300 0.069 0.000 2.360 195 Y HA 0.326 4.876 4.550 0.000 0.000 0.337 195 Y C 0.605 176.474 175.900 -0.052 0.000 1.039 195 Y CA -1.076 57.020 58.100 -0.007 0.000 1.109 195 Y CB 1.566 39.968 38.460 -0.096 0.000 1.201 195 Y HN 0.080 nan 8.280 nan 0.000 0.458 196 S N 2.006 117.549 115.700 -0.262 0.000 2.655 196 S HA 0.281 4.751 4.470 0.000 0.000 0.265 196 S C -2.101 172.244 174.600 -0.425 0.000 1.240 196 S CA -1.192 56.365 58.200 -1.070 0.000 0.986 196 S CB 1.390 63.881 63.200 -1.181 0.000 0.985 196 S HN 0.414 nan 8.310 nan 0.000 0.562 197 P HA 0.005 nan 4.420 nan 0.000 0.216 197 P C 1.669 178.928 177.300 -0.068 0.000 1.153 197 P CA 1.712 64.739 63.100 -0.121 0.000 0.858 197 P CB -0.492 31.188 31.700 -0.033 0.000 0.789 198 G N -0.463 108.274 108.800 -0.105 0.000 2.408 198 G HA2 -0.249 3.711 3.960 0.000 0.000 0.217 198 G HA3 -0.249 3.711 3.960 0.000 0.000 0.217 198 G C 1.515 176.379 174.900 -0.061 0.000 1.150 198 G CA 0.492 45.570 45.100 -0.038 0.000 0.776 198 G HN 0.304 nan 8.290 nan 0.000 0.542 199 Q N -0.457 119.287 119.800 -0.093 0.000 2.119 199 Q HA -0.005 4.335 4.340 0.000 0.000 0.201 199 Q C 2.581 178.468 176.000 -0.189 0.000 0.972 199 Q CA 0.937 56.706 55.803 -0.057 0.000 0.847 199 Q CB -0.134 28.651 28.738 0.078 0.000 0.903 199 Q HN 0.459 nan 8.270 nan 0.000 0.433 200 R N 0.447 120.845 120.500 -0.169 0.000 2.081 200 R HA -0.136 4.204 4.340 0.000 0.000 0.235 200 R C 2.076 178.286 176.300 -0.150 0.000 1.131 200 R CA 1.233 57.192 56.100 -0.236 0.000 0.960 200 R CB -0.133 30.123 30.300 -0.073 0.000 0.856 200 R HN 0.090 nan 8.270 nan 0.000 0.436 201 V N 1.401 121.261 119.914 -0.091 0.000 2.295 201 V HA -0.244 3.876 4.120 0.000 0.000 0.246 201 V C 2.380 178.404 176.094 -0.117 0.000 1.049 201 V CA 2.255 64.505 62.300 -0.082 0.000 1.024 201 V CB -0.605 31.207 31.823 -0.017 0.000 0.648 201 V HN 0.504 nan 8.190 nan 0.000 0.447 202 E N -0.302 119.844 120.200 -0.090 0.000 2.058 202 E HA -0.293 4.057 4.350 0.000 0.000 0.194 202 E C 2.135 178.675 176.600 -0.100 0.000 0.997 202 E CA 1.880 58.229 56.400 -0.084 0.000 0.801 202 E CB -0.255 29.422 29.700 -0.038 0.000 0.746 202 E HN 0.587 nan 8.360 nan 0.000 0.450 203 F N 0.971 120.748 119.950 -0.287 0.000 2.134 203 F HA -0.158 4.370 4.527 0.000 0.000 0.299 203 F C 1.953 177.625 175.800 -0.212 0.000 1.097 203 F CA 1.233 59.051 58.000 -0.302 0.000 1.264 203 F CB 0.013 38.653 39.000 -0.601 0.000 1.001 203 F HN 0.010 nan 8.300 nan 0.000 0.479 204 L N -0.821 120.282 121.223 -0.201 0.000 2.056 204 L HA -0.189 4.151 4.340 0.000 0.000 0.207 204 L C 2.321 179.052 176.870 -0.232 0.000 1.078 204 L CA 0.785 55.487 54.840 -0.230 0.000 0.749 204 L CB -0.754 41.214 42.059 -0.152 0.000 0.901 204 L HN 0.011 nan 8.230 nan 0.000 0.433 205 V N 0.058 119.812 119.914 -0.267 0.000 2.307 205 V HA -0.245 3.876 4.120 0.000 0.000 0.245 205 V C 2.205 178.188 176.094 -0.185 0.000 1.045 205 V CA 1.800 63.916 62.300 -0.308 0.000 1.024 205 V CB -0.640 30.860 31.823 -0.538 0.000 0.651 205 V HN 0.463 nan 8.190 nan 0.000 0.449 206 N N 0.097 118.675 118.700 -0.203 0.000 2.166 206 N HA -0.137 4.603 4.740 0.000 0.000 0.186 206 N C 1.907 177.299 175.510 -0.196 0.000 1.019 206 N CA 1.909 54.860 53.050 -0.166 0.000 0.856 206 N CB -0.687 37.712 38.487 -0.146 0.000 0.993 206 N HN 0.440 nan 8.380 nan 0.000 0.426 207 T N 0.465 114.822 114.554 -0.330 0.000 2.746 207 T HA -0.145 4.205 4.350 0.000 0.000 0.267 207 T C 1.484 176.094 174.700 -0.149 0.000 1.039 207 T CA 0.689 62.581 62.100 -0.347 0.000 1.142 207 T CB -0.200 68.314 68.868 -0.591 0.000 0.866 207 T HN 0.430 nan 8.240 nan 0.000 0.444 208 W N 2.155 123.293 121.300 -0.270 0.000 2.355 208 W HA -0.100 4.560 4.660 0.000 0.000 0.309 208 W C 1.824 178.255 176.519 -0.147 0.000 1.206 208 W CA 1.176 58.405 57.345 -0.193 0.000 1.284 208 W CB -0.171 29.172 29.460 -0.195 0.000 1.145 208 W HN 0.246 nan 8.180 nan 0.000 0.502 209 K N 0.316 120.727 120.400 0.018 0.000 2.283 209 K HA -0.131 4.189 4.320 0.000 0.000 0.202 209 K C 2.054 178.589 176.600 -0.108 0.000 1.048 209 K CA 1.605 57.865 56.287 -0.044 0.000 0.948 209 K CB -0.314 32.180 32.500 -0.010 0.000 0.742 209 K HN 0.048 nan 8.250 nan 0.000 0.458 210 S N 0.402 116.026 115.700 -0.127 0.000 2.561 210 S HA 0.025 4.495 4.470 0.000 0.000 0.225 210 S C 0.424 174.938 174.600 -0.143 0.000 0.977 210 S CA 0.196 58.325 58.200 -0.119 0.000 0.926 210 S CB 0.055 63.188 63.200 -0.113 0.000 0.769 210 S HN -0.044 nan 8.310 nan 0.000 0.533 211 K N 1.632 121.906 120.400 -0.211 0.000 2.138 211 K HA 0.360 4.680 4.320 0.000 0.000 0.263 211 K C 0.651 177.124 176.600 -0.211 0.000 0.965 211 K CA -0.530 55.621 56.287 -0.226 0.000 0.868 211 K CB 1.650 33.953 32.500 -0.328 0.000 1.083 211 K HN 0.111 nan 8.250 nan 0.000 0.443 212 K N 1.514 121.823 120.400 -0.153 0.000 2.001 212 K HA -0.043 4.277 4.320 0.000 0.000 0.208 212 K C -0.089 176.427 176.600 -0.140 0.000 1.048 212 K CA 1.234 57.449 56.287 -0.119 0.000 0.932 212 K CB 0.272 32.723 32.500 -0.082 0.000 0.715 212 K HN 0.449 nan 8.250 nan 0.000 0.437 213 N N 2.027 120.636 118.700 -0.151 0.000 2.841 213 N HA 0.223 4.963 4.740 0.000 0.000 0.257 213 N C -2.803 172.579 175.510 -0.214 0.000 1.396 213 N CA -1.217 51.749 53.050 -0.140 0.000 0.823 213 N CB 1.630 40.075 38.487 -0.071 0.000 1.162 213 N HN 0.186 nan 8.380 nan 0.000 0.503 214 P HA 0.069 nan 4.420 nan 0.000 0.268 214 P C -0.203 176.750 177.300 -0.578 0.000 1.204 214 P CA -0.076 62.555 63.100 -0.782 0.000 0.768 214 P CB 1.111 31.746 31.700 -1.775 0.000 0.842 215 M N 2.478 121.850 119.600 -0.380 0.000 2.484 215 M HA 0.676 5.156 4.480 0.000 0.000 0.289 215 M C -1.337 174.948 176.300 -0.025 0.000 1.206 215 M CA -0.348 54.835 55.300 -0.196 0.000 0.892 215 M CB 2.508 35.040 32.600 -0.114 0.000 1.712 215 M HN 0.579 nan 8.290 nan 0.000 0.462 216 G N 3.720 112.574 108.800 0.090 0.000 2.718 216 G HA2 0.794 4.754 3.960 0.000 0.000 0.295 216 G HA3 0.794 4.754 3.960 0.000 0.000 0.295 216 G C -2.071 172.930 174.900 0.170 0.000 1.421 216 G CA -0.600 44.599 45.100 0.165 0.000 0.902 216 G HN 0.885 nan 8.290 nan 0.000 0.501 217 F N -0.354 119.555 119.950 -0.069 0.000 2.678 217 F HA 0.814 5.341 4.527 0.000 0.000 0.308 217 F C -0.352 175.424 175.800 -0.039 0.000 1.118 217 F CA -1.393 56.562 58.000 -0.075 0.000 0.959 217 F CB 1.363 40.296 39.000 -0.112 0.000 1.305 217 F HN 0.680 nan 8.300 nan 0.000 0.443 218 S N 1.146 116.910 115.700 0.106 0.000 2.549 218 S HA 0.667 5.137 4.470 0.000 0.000 0.297 218 S C -1.649 173.114 174.600 0.271 0.000 1.115 218 S CA -0.596 57.639 58.200 0.058 0.000 1.059 218 S CB 1.709 64.933 63.200 0.040 0.000 1.046 218 S HN 0.887 nan 8.310 nan 0.000 0.506 219 Y N 1.585 121.967 120.300 0.136 0.000 2.328 219 Y HA 0.455 5.005 4.550 0.000 0.000 0.333 219 Y C -0.928 175.092 175.900 0.198 0.000 0.958 219 Y CA -0.891 57.365 58.100 0.260 0.000 1.167 219 Y CB 1.335 40.056 38.460 0.435 0.000 1.151 219 Y HN 0.887 nan 8.280 nan 0.000 0.470 220 D N 4.279 124.495 120.400 -0.305 0.000 2.359 220 D HA 0.229 4.869 4.640 0.000 0.000 0.230 220 D C -0.806 175.311 176.300 -0.305 0.000 1.118 220 D CA -0.099 53.786 54.000 -0.192 0.000 0.844 220 D CB 0.977 41.714 40.800 -0.105 0.000 1.059 220 D HN 0.457 nan 8.370 nan 0.000 0.493 221 T N 3.922 118.469 114.554 -0.012 0.000 2.794 221 T HA 0.157 4.507 4.350 0.000 0.000 0.296 221 T C 0.369 175.155 174.700 0.143 0.000 0.949 221 T CA -0.498 61.690 62.100 0.146 0.000 1.101 221 T CB 0.664 69.843 68.868 0.518 0.000 0.905 221 T HN 0.328 nan 8.240 nan 0.000 0.516 222 R N 2.326 122.875 120.500 0.082 0.000 2.370 222 R HA 0.145 4.485 4.340 0.000 0.000 0.309 222 R C -0.120 176.282 176.300 0.171 0.000 1.059 222 R CA -0.290 55.859 56.100 0.082 0.000 0.981 222 R CB -0.423 29.880 30.300 0.005 0.000 0.972 222 R HN 0.927 nan 8.270 nan 0.000 0.437 223 C N 5.742 125.170 119.300 0.213 0.000 3.349 223 C HA -0.166 4.294 4.460 0.000 0.000 0.275 223 C C 1.362 176.548 174.990 0.326 0.000 1.322 223 C CA 0.155 59.347 59.018 0.292 0.000 2.261 223 C CB -2.993 24.980 27.740 0.388 0.000 1.446 223 C HN 1.020 nan 8.230 nan 0.000 0.533 224 F N 1.963 122.025 119.950 0.187 0.000 2.063 224 F HA -0.202 4.326 4.527 0.000 0.000 0.298 224 F C 1.985 177.890 175.800 0.175 0.000 1.109 224 F CA 2.464 60.574 58.000 0.183 0.000 1.212 224 F CB -0.029 39.067 39.000 0.160 0.000 0.973 224 F HN 0.465 nan 8.300 nan 0.000 0.480 225 D N -0.426 120.209 120.400 0.390 0.000 2.158 225 D HA -0.170 4.470 4.640 0.000 0.000 0.197 225 D C 2.457 178.811 176.300 0.091 0.000 0.995 225 D CA 1.675 55.829 54.000 0.256 0.000 0.846 225 D CB -0.523 40.435 40.800 0.264 0.000 0.941 225 D HN 0.264 nan 8.370 nan 0.000 0.456 226 S N -0.440 115.327 115.700 0.113 0.000 2.428 226 S HA -0.105 4.365 4.470 0.000 0.000 0.230 226 S C 2.064 176.618 174.600 -0.076 0.000 1.014 226 S CA 1.416 59.587 58.200 -0.050 0.000 0.957 226 S CB -0.227 62.923 63.200 -0.084 0.000 0.784 226 S HN 0.530 nan 8.310 nan 0.000 0.499 227 T N -0.252 114.336 114.554 0.057 0.000 3.055 227 T HA 0.089 4.439 4.350 0.000 0.000 0.265 227 T C 0.662 175.293 174.700 -0.116 0.000 1.111 227 T CA 0.136 62.260 62.100 0.041 0.000 1.118 227 T CB -0.479 68.368 68.868 -0.035 0.000 0.909 227 T HN 0.054 nan 8.240 nan 0.000 0.501 228 V N 4.230 124.035 119.914 -0.181 0.000 2.403 228 V HA 0.246 4.366 4.120 0.000 0.000 0.265 228 V C 1.244 177.288 176.094 -0.084 0.000 1.034 228 V CA -0.169 62.047 62.300 -0.140 0.000 1.036 228 V CB -0.528 31.251 31.823 -0.075 0.000 1.032 228 V HN 0.721 nan 8.190 nan 0.000 0.478 229 T N 1.490 116.008 114.554 -0.059 0.000 2.824 229 T HA 0.305 4.655 4.350 0.000 0.000 0.277 229 T C 1.019 175.702 174.700 -0.028 0.000 0.975 229 T CA -0.536 61.535 62.100 -0.047 0.000 0.966 229 T CB 1.175 70.022 68.868 -0.035 0.000 1.054 229 T HN 0.533 nan 8.240 nan 0.000 0.533 230 E N 0.349 120.534 120.200 -0.025 0.000 2.077 230 E HA -0.116 4.234 4.350 0.000 0.000 0.193 230 E C 2.080 178.682 176.600 0.003 0.000 0.989 230 E CA 1.517 57.912 56.400 -0.007 0.000 0.800 230 E CB -0.455 29.240 29.700 -0.008 0.000 0.746 230 E HN 0.815 nan 8.360 nan 0.000 0.452 231 N N 0.594 119.291 118.700 -0.005 0.000 2.069 231 N HA -0.196 4.544 4.740 0.000 0.000 0.191 231 N C 1.221 176.745 175.510 0.024 0.000 1.031 231 N CA 1.801 54.853 53.050 0.004 0.000 0.852 231 N CB -0.024 38.452 38.487 -0.018 0.000 1.018 231 N HN 0.010 nan 8.380 nan 0.000 0.423 232 D N 0.266 120.679 120.400 0.023 0.000 2.104 232 D HA -0.155 4.486 4.640 0.000 0.000 0.194 232 D C 1.991 178.308 176.300 0.028 0.000 0.994 232 D CA 1.108 55.135 54.000 0.045 0.000 0.830 232 D CB -0.367 40.452 40.800 0.032 0.000 0.959 232 D HN 0.460 nan 8.370 nan 0.000 0.452 233 I N 0.518 121.105 120.570 0.028 0.000 2.286 233 I HA -0.222 3.948 4.170 0.000 0.000 0.248 233 I C 2.487 178.624 176.117 0.034 0.000 1.115 233 I CA 1.013 62.338 61.300 0.043 0.000 1.392 233 I CB -0.058 37.985 38.000 0.071 0.000 1.065 233 I HN -0.091 nan 8.210 nan 0.000 0.418 234 R N -0.226 120.289 120.500 0.026 0.000 2.119 234 R HA -0.042 4.298 4.340 0.000 0.000 0.222 234 R C 2.298 178.590 176.300 -0.013 0.000 1.088 234 R CA 0.810 56.920 56.100 0.018 0.000 0.984 234 R CB -0.211 30.102 30.300 0.021 0.000 0.884 234 R HN 0.190 nan 8.270 nan 0.000 0.447 235 V N 1.414 121.322 119.914 -0.010 0.000 2.427 235 V HA -0.216 3.904 4.120 0.000 0.000 0.248 235 V C 1.880 177.896 176.094 -0.130 0.000 1.051 235 V CA 1.760 64.043 62.300 -0.029 0.000 1.048 235 V CB -0.318 31.529 31.823 0.041 0.000 0.666 235 V HN 0.341 nan 8.190 nan 0.000 0.456 236 E N -0.240 119.854 120.200 -0.177 0.000 2.077 236 E HA -0.264 4.086 4.350 0.000 0.000 0.193 236 E C 2.276 178.443 176.600 -0.723 0.000 0.989 236 E CA 1.357 57.498 56.400 -0.432 0.000 0.800 236 E CB -0.144 29.353 29.700 -0.338 0.000 0.746 236 E HN 0.657 nan 8.360 nan 0.000 0.452 237 E N 0.812 120.818 120.200 -0.323 0.000 2.077 237 E HA -0.204 4.146 4.350 0.000 0.000 0.193 237 E C 2.153 178.706 176.600 -0.078 0.000 0.989 237 E CA 1.587 57.925 56.400 -0.103 0.000 0.800 237 E CB 0.016 29.763 29.700 0.078 0.000 0.746 237 E HN 0.215 nan 8.360 nan 0.000 0.452 238 S N 0.361 116.009 115.700 -0.086 0.000 2.399 238 S HA -0.150 4.320 4.470 0.000 0.000 0.231 238 S C 2.047 176.609 174.600 -0.063 0.000 1.022 238 S CA 1.041 59.214 58.200 -0.045 0.000 0.983 238 S CB -0.520 62.659 63.200 -0.036 0.000 0.803 238 S HN 0.321 nan 8.310 nan 0.000 0.480 239 I N -0.014 120.462 120.570 -0.157 0.000 2.252 239 I HA -0.118 4.052 4.170 0.000 0.000 0.245 239 I C 2.334 178.438 176.117 -0.021 0.000 1.102 239 I CA 1.245 62.464 61.300 -0.134 0.000 1.385 239 I CB -0.466 37.401 38.000 -0.221 0.000 1.064 239 I HN 0.221 nan 8.210 nan 0.000 0.414 240 Y N 1.197 121.495 120.300 -0.003 0.000 2.145 240 Y HA -0.229 4.321 4.550 0.000 0.000 0.286 240 Y C 2.708 178.613 175.900 0.009 0.000 1.145 240 Y CA 0.730 58.831 58.100 0.002 0.000 1.148 240 Y CB -1.109 37.367 38.460 0.026 0.000 0.981 240 Y HN 0.224 nan 8.280 nan 0.000 0.507 241 Q N -1.150 118.754 119.800 0.172 0.000 2.364 241 Q HA -0.150 4.190 4.340 0.000 0.000 0.209 241 Q C 2.373 178.410 176.000 0.063 0.000 0.977 241 Q CA 1.032 56.896 55.803 0.101 0.000 0.885 241 Q CB -0.962 27.820 28.738 0.074 0.000 0.941 241 Q HN 0.510 nan 8.270 nan 0.000 0.464 242 C N 0.188 119.518 119.300 0.050 0.000 2.432 242 C HA -0.042 4.418 4.460 0.000 0.000 0.280 242 C C 1.591 176.600 174.990 0.030 0.000 1.353 242 C CA -0.660 58.374 59.018 0.027 0.000 1.766 242 C CB -0.636 27.110 27.740 0.009 0.000 1.924 242 C HN 0.428 nan 8.230 nan 0.000 0.509 243 C N 1.837 121.165 119.300 0.046 0.000 2.727 243 C HA 0.093 4.553 4.460 0.000 0.000 0.401 243 C C 0.589 175.599 174.990 0.033 0.000 1.294 243 C CA -0.343 58.697 59.018 0.036 0.000 2.134 243 C CB -0.268 27.499 27.740 0.045 0.000 2.724 243 C HN 0.510 nan 8.230 nan 0.000 0.677 244 D N 1.758 122.172 120.400 0.024 0.000 2.336 244 D HA 0.432 5.072 4.640 0.000 0.000 0.249 244 D C -0.674 175.643 176.300 0.029 0.000 1.213 244 D CA 0.316 54.330 54.000 0.024 0.000 0.870 244 D CB 0.255 41.065 40.800 0.017 0.000 1.076 244 D HN 0.411 nan 8.370 nan 0.000 0.483 245 L N 1.874 123.118 121.223 0.036 0.000 2.327 245 L HA 0.637 4.977 4.340 0.000 0.000 0.258 245 L C 0.360 177.257 176.870 0.046 0.000 1.024 245 L CA -1.320 53.546 54.840 0.044 0.000 0.825 245 L CB 1.684 43.776 42.059 0.055 0.000 1.386 245 L HN 0.308 nan 8.230 nan 0.000 0.417 246 A N 0.901 123.754 122.820 0.056 0.000 2.386 246 A HA 0.451 4.771 4.320 0.000 0.000 0.248 246 A C -1.912 175.710 177.584 0.064 0.000 1.082 246 A CA -0.992 51.081 52.037 0.060 0.000 0.789 246 A CB -0.004 19.041 19.000 0.074 0.000 1.025 246 A HN 0.611 nan 8.150 nan 0.000 0.490 247 P HA -0.173 nan 4.420 nan 0.000 0.215 247 P C 1.054 178.384 177.300 0.049 0.000 1.157 247 P CA 1.634 64.760 63.100 0.044 0.000 0.874 247 P CB 0.134 31.856 31.700 0.036 0.000 0.790 248 E N -0.767 119.483 120.200 0.085 0.000 2.153 248 E HA -0.140 4.210 4.350 0.000 0.000 0.194 248 E C 1.999 178.673 176.600 0.124 0.000 0.988 248 E CA 1.098 57.562 56.400 0.107 0.000 0.811 248 E CB -0.411 29.442 29.700 0.255 0.000 0.746 248 E HN 0.185 nan 8.360 nan 0.000 0.466 249 A N 1.465 124.380 122.820 0.159 0.000 1.872 249 A HA -0.155 4.165 4.320 0.000 0.000 0.214 249 A C 2.102 179.738 177.584 0.086 0.000 1.187 249 A CA 1.195 53.330 52.037 0.164 0.000 0.614 249 A CB -0.380 18.703 19.000 0.139 0.000 0.826 249 A HN 0.051 nan 8.150 nan 0.000 0.442 250 R N -0.845 119.693 120.500 0.063 0.000 2.091 250 R HA -0.234 4.106 4.340 0.000 0.000 0.238 250 R C 2.420 178.731 176.300 0.018 0.000 1.136 250 R CA 2.048 58.176 56.100 0.047 0.000 0.959 250 R CB -0.194 30.129 30.300 0.039 0.000 0.856 250 R HN 0.600 nan 8.270 nan 0.000 0.437 251 Q N -0.068 119.723 119.800 -0.016 0.000 2.049 251 Q HA -0.021 4.319 4.340 0.000 0.000 0.198 251 Q C 1.836 177.768 176.000 -0.114 0.000 0.971 251 Q CA 2.054 57.819 55.803 -0.064 0.000 0.833 251 Q CB -0.294 28.389 28.738 -0.092 0.000 0.896 251 Q HN 0.382 nan 8.270 nan 0.000 0.434 252 A N 0.228 122.944 122.820 -0.173 0.000 1.978 252 A HA -0.141 4.179 4.320 0.000 0.000 0.220 252 A C 2.106 179.634 177.584 -0.093 0.000 1.170 252 A CA 1.472 53.356 52.037 -0.255 0.000 0.636 252 A CB -0.744 18.006 19.000 -0.417 0.000 0.810 252 A HN 0.508 nan 8.150 nan 0.000 0.448 253 I N -0.848 119.722 120.570 0.001 0.000 2.353 253 I HA -0.204 3.967 4.170 0.000 0.000 0.248 253 I C 2.508 178.665 176.117 0.067 0.000 1.119 253 I CA 1.594 62.940 61.300 0.076 0.000 1.417 253 I CB -0.173 37.901 38.000 0.124 0.000 1.078 253 I HN 0.398 nan 8.210 nan 0.000 0.421 254 K N 0.503 120.917 120.400 0.024 0.000 2.057 254 K HA -0.179 4.141 4.320 0.000 0.000 0.206 254 K C 2.340 178.923 176.600 -0.028 0.000 1.050 254 K CA 1.644 57.941 56.287 0.016 0.000 0.935 254 K CB -0.055 32.445 32.500 -0.001 0.000 0.715 254 K HN 0.071 nan 8.250 nan 0.000 0.439 255 S N 0.878 116.533 115.700 -0.075 0.000 2.348 255 S HA -0.093 4.377 4.470 0.000 0.000 0.221 255 S C 1.970 176.482 174.600 -0.147 0.000 1.033 255 S CA 1.212 59.346 58.200 -0.110 0.000 1.010 255 S CB -0.290 62.817 63.200 -0.155 0.000 0.891 255 S HN 0.350 nan 8.310 nan 0.000 0.442 256 L N 0.696 121.801 121.223 -0.198 0.000 2.079 256 L HA -0.123 4.217 4.340 0.000 0.000 0.210 256 L C 2.738 179.295 176.870 -0.522 0.000 1.081 256 L CA 1.529 56.120 54.840 -0.415 0.000 0.752 256 L CB -0.994 40.784 42.059 -0.469 0.000 0.896 256 L HN 0.350 nan 8.230 nan 0.000 0.433 257 T N -1.006 113.448 114.554 -0.166 0.000 2.674 257 T HA -0.153 4.197 4.350 0.000 0.000 0.265 257 T C 1.789 176.495 174.700 0.010 0.000 1.039 257 T CA 1.224 63.361 62.100 0.062 0.000 1.150 257 T CB -0.074 68.899 68.868 0.174 0.000 0.864 257 T HN 0.272 nan 8.240 nan 0.000 0.427 258 E N 0.856 121.043 120.200 -0.021 0.000 2.216 258 E HA 0.038 4.388 4.350 0.000 0.000 0.192 258 E C 2.278 178.861 176.600 -0.028 0.000 0.988 258 E CA 0.718 57.111 56.400 -0.012 0.000 0.834 258 E CB -0.061 29.632 29.700 -0.011 0.000 0.772 258 E HN 0.455 nan 8.360 nan 0.000 0.479 259 R N -0.532 119.923 120.500 -0.075 0.000 2.237 259 R HA 0.141 4.481 4.340 0.000 0.000 0.195 259 R C 1.757 178.002 176.300 -0.092 0.000 0.956 259 R CA 0.276 56.334 56.100 -0.071 0.000 1.029 259 R CB 0.372 30.623 30.300 -0.081 0.000 0.972 259 R HN 0.032 nan 8.270 nan 0.000 0.493 260 L N -2.370 118.760 121.223 -0.155 0.000 2.678 260 L HA 0.186 4.526 4.340 0.000 0.000 0.187 260 L C 1.192 178.066 176.870 0.006 0.000 1.073 260 L CA 0.566 55.327 54.840 -0.131 0.000 0.883 260 L CB -0.196 41.729 42.059 -0.223 0.000 1.501 260 L HN -0.153 nan 8.230 nan 0.000 0.488 261 Y N 0.319 120.636 120.300 0.027 0.000 2.224 261 Y HA -0.099 4.451 4.550 0.000 0.000 0.289 261 Y C 2.623 178.530 175.900 0.012 0.000 1.146 261 Y CA 1.593 59.716 58.100 0.038 0.000 1.182 261 Y CB -0.760 37.746 38.460 0.078 0.000 0.983 261 Y HN 0.219 nan 8.280 nan 0.000 0.524 262 I N -0.951 119.706 120.570 0.146 0.000 3.059 262 I HA 0.176 4.346 4.170 0.000 0.000 0.270 262 I C 0.908 177.036 176.117 0.017 0.000 1.238 262 I CA 0.880 62.224 61.300 0.073 0.000 1.478 262 I CB -0.096 37.941 38.000 0.062 0.000 1.097 262 I HN 0.245 nan 8.210 nan 0.000 0.455 263 G N -0.934 107.857 108.800 -0.016 0.000 2.337 263 G HA2 0.453 4.413 3.960 0.000 0.000 0.298 263 G HA3 0.453 4.413 3.960 0.000 0.000 0.298 263 G C -0.893 173.853 174.900 -0.256 0.000 1.335 263 G CA -0.206 44.819 45.100 -0.124 0.000 0.875 263 G HN 0.434 nan 8.290 nan 0.000 0.579 264 G N -0.759 107.585 108.800 -0.761 0.000 2.321 264 G HA2 0.711 4.671 3.960 0.000 0.000 0.298 264 G HA3 0.711 4.671 3.960 0.000 0.000 0.298 264 G C -3.464 170.754 174.900 -1.138 0.000 1.385 264 G CA 0.116 44.735 45.100 -0.802 0.000 0.856 264 G HN 0.802 nan 8.290 nan 0.000 0.584 265 P HA 0.459 nan 4.420 nan 0.000 0.274 265 P C -0.564 176.640 177.300 -0.160 0.000 1.231 265 P CA -0.195 62.771 63.100 -0.224 0.000 0.790 265 P CB 1.259 32.976 31.700 0.029 0.000 0.951 266 L N 2.212 123.390 121.223 -0.074 0.000 2.305 266 L HA 0.445 4.785 4.340 0.000 0.000 0.284 266 L C 0.450 177.327 176.870 0.012 0.000 1.013 266 L CA -0.202 54.623 54.840 -0.025 0.000 0.819 266 L CB 1.565 43.650 42.059 0.043 0.000 1.227 266 L HN 0.279 nan 8.230 nan 0.000 0.417 267 T N 1.524 116.064 114.554 -0.024 0.000 2.807 267 T HA 0.337 4.687 4.350 0.000 0.000 0.279 267 T C -0.170 174.515 174.700 -0.026 0.000 0.993 267 T CA -0.855 61.235 62.100 -0.015 0.000 0.970 267 T CB 1.427 70.274 68.868 -0.035 0.000 0.950 267 T HN 0.631 nan 8.240 nan 0.000 0.441 268 N N 0.873 119.574 118.700 0.002 0.000 2.364 268 N HA 0.121 4.861 4.740 0.000 0.000 0.264 268 N C 1.483 176.988 175.510 -0.009 0.000 1.263 268 N CA -0.286 52.765 53.050 0.000 0.000 0.959 268 N CB 0.114 38.611 38.487 0.017 0.000 1.204 268 N HN 0.457 nan 8.380 nan 0.000 0.550 269 S N -0.820 114.882 115.700 0.004 0.000 2.419 269 S HA -0.141 4.329 4.470 0.000 0.000 0.233 269 S C 1.120 175.723 174.600 0.006 0.000 1.016 269 S CA 0.802 59.009 58.200 0.011 0.000 0.974 269 S CB -0.457 62.761 63.200 0.030 0.000 0.786 269 S HN 0.633 nan 8.310 nan 0.000 0.492 270 K N 0.759 121.162 120.400 0.006 0.000 2.487 270 K HA 0.219 4.539 4.320 0.000 0.000 0.192 270 K C 1.314 177.913 176.600 -0.002 0.000 1.027 270 K CA 0.409 56.698 56.287 0.003 0.000 1.054 270 K CB -0.256 32.248 32.500 0.007 0.000 0.824 270 K HN 0.595 nan 8.250 nan 0.000 0.510 271 G N 1.636 110.433 108.800 -0.006 0.000 2.157 271 G HA2 -0.280 3.680 3.960 0.000 0.000 0.248 271 G HA3 -0.280 3.680 3.960 0.000 0.000 0.248 271 G C -0.234 174.666 174.900 -0.001 0.000 0.979 271 G CA -0.133 44.960 45.100 -0.011 0.000 0.650 271 G HN 0.348 nan 8.290 nan 0.000 0.529 272 Q N 0.112 119.918 119.800 0.009 0.000 2.259 272 Q HA 0.346 4.686 4.340 0.000 0.000 0.246 272 Q C 0.410 176.429 176.000 0.032 0.000 0.920 272 Q CA -0.497 55.318 55.803 0.020 0.000 0.895 272 Q CB 0.921 29.674 28.738 0.024 0.000 1.220 272 Q HN 0.404 nan 8.270 nan 0.000 0.439 273 N N 1.315 120.040 118.700 0.042 0.000 2.420 273 N HA 0.021 4.761 4.740 0.000 0.000 0.262 273 N C -0.229 175.335 175.510 0.091 0.000 1.144 273 N CA -0.416 52.669 53.050 0.059 0.000 0.952 273 N CB 0.552 39.074 38.487 0.058 0.000 1.081 273 N HN 0.593 nan 8.380 nan 0.000 0.480 274 C N 2.950 122.323 119.300 0.121 0.000 2.590 274 C HA 0.393 4.853 4.460 0.000 0.000 0.272 274 C C 1.261 176.421 174.990 0.283 0.000 1.338 274 C CA 0.537 59.683 59.018 0.213 0.000 1.746 274 C CB -1.064 26.832 27.740 0.259 0.000 2.020 274 C HN 0.972 nan 8.230 nan 0.000 0.531 275 G N -1.481 107.414 108.800 0.159 0.000 2.334 275 G HA2 0.268 4.228 3.960 0.000 0.000 0.249 275 G HA3 0.268 4.228 3.960 0.000 0.000 0.249 275 G C -2.084 172.853 174.900 0.061 0.000 1.327 275 G CA -0.428 44.720 45.100 0.079 0.000 0.979 275 G HN 0.027 nan 8.290 nan 0.000 0.471 276 Y N 0.590 120.769 120.300 -0.201 0.000 2.524 276 Y HA 0.774 5.324 4.550 0.000 0.000 0.347 276 Y C 0.034 175.796 175.900 -0.231 0.000 1.005 276 Y CA -0.853 57.147 58.100 -0.166 0.000 1.025 276 Y CB 2.072 40.450 38.460 -0.138 0.000 1.275 276 Y HN 0.716 nan 8.280 nan 0.000 0.460 277 R N 4.274 124.525 120.500 -0.415 0.000 2.514 277 R HA 0.572 4.912 4.340 0.000 0.000 0.301 277 R C -0.756 175.338 176.300 -0.342 0.000 0.962 277 R CA -0.599 55.243 56.100 -0.429 0.000 0.882 277 R CB 1.053 31.162 30.300 -0.319 0.000 1.143 277 R HN 0.929 nan 8.270 nan 0.000 0.452 278 R N 2.805 123.081 120.500 -0.373 0.000 2.642 278 R HA 0.214 4.554 4.340 0.000 0.000 0.435 278 R C -0.467 175.689 176.300 -0.241 0.000 1.046 278 R CA -0.294 55.690 56.100 -0.195 0.000 1.103 278 R CB 0.519 30.749 30.300 -0.116 0.000 1.425 278 R HN 0.774 nan 8.270 nan 0.000 0.586 279 C N -1.610 117.494 119.300 -0.327 0.000 3.301 279 C HA 0.631 5.091 4.460 0.000 0.000 0.367 279 C C -0.076 174.841 174.990 -0.121 0.000 1.980 279 C CA -1.506 57.370 59.018 -0.236 0.000 1.349 279 C CB 1.133 28.673 27.740 -0.333 0.000 2.412 279 C HN 0.315 nan 8.230 nan 0.000 0.451 280 R N 1.164 121.642 120.500 -0.036 0.000 2.585 280 R HA 0.466 4.806 4.340 0.000 0.000 0.275 280 R C -0.047 176.300 176.300 0.077 0.000 1.018 280 R CA 0.964 57.095 56.100 0.051 0.000 1.072 280 R CB -0.109 30.262 30.300 0.118 0.000 0.953 280 R HN 1.160 nan 8.270 nan 0.000 0.419 281 A N 3.440 126.321 122.820 0.101 0.000 2.289 281 A HA 0.261 4.581 4.320 0.000 0.000 0.298 281 A C 0.924 178.599 177.584 0.153 0.000 1.208 281 A CA -0.039 52.078 52.037 0.133 0.000 0.845 281 A CB 0.657 19.744 19.000 0.146 0.000 1.125 281 A HN 1.007 nan 8.150 nan 0.000 0.517 282 S N 1.949 117.755 115.700 0.177 0.000 2.515 282 S HA 0.059 4.529 4.470 0.000 0.000 0.231 282 S C 1.030 175.727 174.600 0.161 0.000 0.987 282 S CA 0.873 59.175 58.200 0.170 0.000 0.936 282 S CB 0.026 63.334 63.200 0.180 0.000 0.766 282 S HN 1.317 nan 8.310 nan 0.000 0.528 283 G N 1.419 110.334 108.800 0.192 0.000 4.432 283 G HA2 0.511 4.472 3.960 0.000 0.000 0.294 283 G HA3 0.511 4.472 3.960 0.000 0.000 0.294 283 G C -0.210 174.815 174.900 0.209 0.000 1.141 283 G CA 0.007 45.234 45.100 0.210 0.000 0.895 283 G HN 0.617 nan 8.290 nan 0.000 0.548 284 V N -2.585 117.430 119.914 0.168 0.000 3.046 284 V HA 0.601 4.721 4.120 0.000 0.000 0.316 284 V C 1.397 177.556 176.094 0.108 0.000 1.104 284 V CA -0.943 61.468 62.300 0.186 0.000 1.006 284 V CB 1.773 33.764 31.823 0.280 0.000 1.058 284 V HN 0.053 nan 8.190 nan 0.000 0.440 285 L N 2.668 123.971 121.223 0.132 0.000 2.081 285 L HA -0.088 4.252 4.340 0.000 0.000 0.212 285 L C 2.387 179.258 176.870 0.001 0.000 1.080 285 L CA 3.158 58.058 54.840 0.099 0.000 0.754 285 L CB -0.719 41.429 42.059 0.148 0.000 0.893 285 L HN 1.102 nan 8.230 nan 0.000 0.433 286 T N -5.836 108.634 114.554 -0.140 0.000 3.148 286 T HA -0.026 4.324 4.350 0.000 0.000 0.253 286 T C 1.618 176.248 174.700 -0.117 0.000 1.134 286 T CA 0.790 62.765 62.100 -0.209 0.000 1.051 286 T CB -0.766 67.826 68.868 -0.459 0.000 0.959 286 T HN 0.301 nan 8.240 nan 0.000 0.525 287 T N 2.132 116.647 114.554 -0.065 0.000 2.607 287 T HA -0.192 4.158 4.350 0.000 0.000 0.267 287 T C 2.202 176.915 174.700 0.022 0.000 1.049 287 T CA 1.918 64.022 62.100 0.006 0.000 1.162 287 T CB -0.746 68.151 68.868 0.049 0.000 0.863 287 T HN 0.554 nan 8.240 nan 0.000 0.424 288 S N -0.392 115.296 115.700 -0.021 0.000 2.355 288 S HA -0.150 4.321 4.470 0.000 0.000 0.222 288 S C 2.444 177.052 174.600 0.013 0.000 1.031 288 S CA 1.446 59.621 58.200 -0.041 0.000 0.993 288 S CB -0.938 62.127 63.200 -0.225 0.000 0.859 288 S HN 0.673 nan 8.310 nan 0.000 0.453 289 C N 1.239 120.523 119.300 -0.027 0.000 2.429 289 C HA 0.114 4.574 4.460 0.000 0.000 0.277 289 C C 2.813 177.857 174.990 0.090 0.000 1.262 289 C CA 1.035 60.066 59.018 0.022 0.000 1.733 289 C CB -1.807 25.917 27.740 -0.027 0.000 2.010 289 C HN 0.717 nan 8.230 nan 0.000 0.483 290 G N 0.630 109.489 108.800 0.098 0.000 2.433 290 G HA2 -0.228 3.733 3.960 0.000 0.000 0.216 290 G HA3 -0.228 3.733 3.960 0.000 0.000 0.216 290 G C 1.510 176.502 174.900 0.154 0.000 1.186 290 G CA 1.115 46.284 45.100 0.115 0.000 0.779 290 G HN 0.584 nan 8.290 nan 0.000 0.543 291 N N 0.428 119.227 118.700 0.164 0.000 2.104 291 N HA -0.089 4.651 4.740 0.000 0.000 0.190 291 N C 2.398 177.957 175.510 0.082 0.000 1.024 291 N CA 1.687 54.846 53.050 0.183 0.000 0.853 291 N CB -0.814 37.683 38.487 0.017 0.000 1.008 291 N HN 0.263 nan 8.380 nan 0.000 0.424 292 T N 1.791 116.403 114.554 0.097 0.000 2.674 292 T HA -0.012 4.338 4.350 0.000 0.000 0.265 292 T C 2.164 176.953 174.700 0.148 0.000 1.039 292 T CA 0.723 62.900 62.100 0.129 0.000 1.150 292 T CB -0.338 68.682 68.868 0.253 0.000 0.864 292 T HN 0.124 nan 8.240 nan 0.000 0.427 293 L N 0.628 121.917 121.223 0.109 0.000 2.046 293 L HA -0.127 4.213 4.340 0.000 0.000 0.208 293 L C 2.947 179.916 176.870 0.164 0.000 1.077 293 L CA 1.257 56.145 54.840 0.080 0.000 0.747 293 L CB -1.000 41.059 42.059 0.001 0.000 0.896 293 L HN 0.289 nan 8.230 nan 0.000 0.432 294 T N -1.428 113.244 114.554 0.196 0.000 2.777 294 T HA -0.230 4.120 4.350 0.000 0.000 0.266 294 T C 2.008 176.914 174.700 0.345 0.000 1.040 294 T CA 1.463 63.717 62.100 0.257 0.000 1.141 294 T CB -0.446 68.610 68.868 0.313 0.000 0.868 294 T HN 0.471 nan 8.240 nan 0.000 0.444 295 C N 0.673 120.216 119.300 0.405 0.000 2.429 295 C HA -0.069 4.391 4.460 0.000 0.000 0.277 295 C C 2.398 177.550 174.990 0.271 0.000 1.262 295 C CA 0.457 59.698 59.018 0.371 0.000 1.733 295 C CB -1.396 26.424 27.740 0.132 0.000 2.010 295 C HN 0.662 nan 8.230 nan 0.000 0.483 296 Y N 0.972 121.336 120.300 0.106 0.000 2.200 296 Y HA -0.071 4.480 4.550 0.000 0.000 0.290 296 Y C 2.152 178.070 175.900 0.030 0.000 1.137 296 Y CA 1.972 60.112 58.100 0.066 0.000 1.163 296 Y CB -0.515 37.972 38.460 0.045 0.000 0.988 296 Y HN 0.329 nan 8.280 nan 0.000 0.518 297 L N 1.236 122.555 121.223 0.161 0.000 1.994 297 L HA -0.189 4.151 4.340 0.000 0.000 0.208 297 L C 2.060 178.841 176.870 -0.148 0.000 1.071 297 L CA 2.047 56.853 54.840 -0.056 0.000 0.745 297 L CB -0.917 41.086 42.059 -0.092 0.000 0.892 297 L HN 0.149 nan 8.230 nan 0.000 0.431 298 K N -0.350 120.039 120.400 -0.018 0.000 2.097 298 K HA -0.063 4.257 4.320 0.000 0.000 0.206 298 K C 2.074 178.667 176.600 -0.010 0.000 1.049 298 K CA 1.282 57.560 56.287 -0.015 0.000 0.933 298 K CB -0.404 32.186 32.500 0.150 0.000 0.717 298 K HN 0.510 nan 8.250 nan 0.000 0.442 299 A N 1.127 123.947 122.820 0.001 0.000 1.898 299 A HA -0.116 4.204 4.320 0.000 0.000 0.216 299 A C 2.229 179.809 177.584 -0.006 0.000 1.181 299 A CA 1.614 53.665 52.037 0.023 0.000 0.620 299 A CB -0.476 18.614 19.000 0.151 0.000 0.819 299 A HN 0.152 nan 8.150 nan 0.000 0.442 300 S N 0.127 115.717 115.700 -0.184 0.000 2.359 300 S HA -0.095 4.375 4.470 0.000 0.000 0.224 300 S C 2.333 176.866 174.600 -0.110 0.000 1.035 300 S CA 1.316 59.379 58.200 -0.228 0.000 1.018 300 S CB -0.535 62.385 63.200 -0.466 0.000 0.876 300 S HN 0.800 nan 8.310 nan 0.000 0.448 301 A N 1.612 124.369 122.820 -0.105 0.000 1.908 301 A HA 0.060 4.380 4.320 0.000 0.000 0.218 301 A C 2.367 179.983 177.584 0.054 0.000 1.181 301 A CA 1.807 53.838 52.037 -0.009 0.000 0.627 301 A CB -1.134 17.826 19.000 -0.066 0.000 0.818 301 A HN 0.532 nan 8.150 nan 0.000 0.445 302 A N -1.199 121.661 122.820 0.067 0.000 1.972 302 A HA -0.147 4.173 4.320 0.000 0.000 0.219 302 A C 2.276 179.864 177.584 0.006 0.000 1.169 302 A CA 1.613 53.582 52.037 -0.113 0.000 0.635 302 A CB -1.215 17.363 19.000 -0.703 0.000 0.810 302 A HN 0.600 nan 8.150 nan 0.000 0.446 303 C N -0.841 118.552 119.300 0.155 0.000 2.429 303 C HA -0.086 4.374 4.460 0.000 0.000 0.277 303 C C 2.890 177.895 174.990 0.026 0.000 1.262 303 C CA 1.129 60.281 59.018 0.225 0.000 1.733 303 C CB -1.247 26.587 27.740 0.156 0.000 2.010 303 C HN 0.615 nan 8.230 nan 0.000 0.483 304 R N 1.079 121.512 120.500 -0.113 0.000 2.092 304 R HA -0.068 4.272 4.340 0.000 0.000 0.231 304 R C 2.381 178.404 176.300 -0.462 0.000 1.119 304 R CA 1.506 57.439 56.100 -0.278 0.000 0.970 304 R CB -0.534 29.555 30.300 -0.351 0.000 0.864 304 R HN 0.532 nan 8.270 nan 0.000 0.440 305 A N 1.360 123.881 122.820 -0.498 0.000 1.933 305 A HA -0.076 4.244 4.320 0.000 0.000 0.218 305 A C 2.226 179.764 177.584 -0.077 0.000 1.175 305 A CA 1.701 53.571 52.037 -0.279 0.000 0.628 305 A CB -0.395 18.556 19.000 -0.082 0.000 0.814 305 A HN 0.387 nan 8.150 nan 0.000 0.444 306 A N -1.482 121.322 122.820 -0.026 0.000 2.218 306 A HA 0.283 4.603 4.320 0.000 0.000 0.209 306 A C 0.967 178.563 177.584 0.020 0.000 1.168 306 A CA 0.717 52.773 52.037 0.033 0.000 0.804 306 A CB -0.345 18.729 19.000 0.125 0.000 0.834 306 A HN 0.473 nan 8.150 nan 0.000 0.482 307 K N -0.665 119.731 120.400 -0.007 0.000 3.125 307 K HA -0.147 4.173 4.320 0.000 0.000 0.268 307 K C -0.837 175.771 176.600 0.014 0.000 1.078 307 K CA 0.430 56.717 56.287 -0.000 0.000 0.775 307 K CB -2.079 30.427 32.500 0.010 0.000 1.253 307 K HN 0.534 nan 8.250 nan 0.000 0.486 308 L N 2.220 123.460 121.223 0.029 0.000 2.410 308 L HA 0.046 4.386 4.340 0.000 0.000 0.273 308 L C 1.355 178.236 176.870 0.017 0.000 1.152 308 L CA -0.066 54.795 54.840 0.034 0.000 0.855 308 L CB 0.427 42.527 42.059 0.070 0.000 1.129 308 L HN 0.193 nan 8.230 nan 0.000 0.463 309 Q N 1.708 121.512 119.800 0.007 0.000 2.288 309 Q HA 0.119 4.459 4.340 0.000 0.000 0.254 309 Q C -0.313 175.678 176.000 -0.015 0.000 0.932 309 Q CA -0.767 55.033 55.803 -0.004 0.000 0.902 309 Q CB 1.188 29.921 28.738 -0.009 0.000 1.203 309 Q HN 0.545 nan 8.270 nan 0.000 0.415 310 D N 0.869 121.261 120.400 -0.015 0.000 2.735 310 D HA -0.166 4.474 4.640 0.000 0.000 0.235 310 D C -1.233 175.052 176.300 -0.026 0.000 1.175 310 D CA 0.221 54.208 54.000 -0.022 0.000 0.683 310 D CB -1.027 39.750 40.800 -0.039 0.000 1.008 310 D HN 0.649 nan 8.370 nan 0.000 0.416 311 C N 0.887 120.180 119.300 -0.010 0.000 2.601 311 C HA 0.583 5.043 4.460 0.000 0.000 0.409 311 C C 0.851 175.840 174.990 -0.001 0.000 1.293 311 C CA -0.099 58.913 59.018 -0.011 0.000 2.101 311 C CB 0.904 28.646 27.740 0.004 0.000 2.639 311 C HN 0.504 nan 8.230 nan 0.000 0.592 312 T N 5.127 119.675 114.554 -0.010 0.000 2.949 312 T HA 0.441 4.791 4.350 0.000 0.000 0.300 312 T C -0.467 174.264 174.700 0.051 0.000 0.988 312 T CA -0.236 61.887 62.100 0.039 0.000 0.993 312 T CB 0.857 69.717 68.868 -0.014 0.000 0.984 312 T HN 0.537 nan 8.240 nan 0.000 0.442 313 M N 2.963 122.635 119.600 0.120 0.000 2.598 313 M HA 0.696 5.176 4.480 0.000 0.000 0.317 313 M C -1.192 175.234 176.300 0.210 0.000 1.201 313 M CA -1.145 54.220 55.300 0.109 0.000 0.971 313 M CB 1.850 34.502 32.600 0.086 0.000 1.657 313 M HN 0.348 nan 8.290 nan 0.000 0.470 314 L N 2.311 123.616 121.223 0.136 0.000 2.482 314 L HA 0.642 4.982 4.340 0.000 0.000 0.269 314 L C -1.617 175.261 176.870 0.015 0.000 0.967 314 L CA -0.427 54.476 54.840 0.105 0.000 0.851 314 L CB 1.794 43.934 42.059 0.134 0.000 1.242 314 L HN 0.474 nan 8.230 nan 0.000 0.404 315 V N 4.028 123.929 119.914 -0.020 0.000 2.604 315 V HA 0.626 4.746 4.120 0.000 0.000 0.305 315 V C -0.710 175.205 176.094 -0.297 0.000 1.043 315 V CA -0.635 61.626 62.300 -0.065 0.000 0.888 315 V CB 2.077 33.955 31.823 0.091 0.000 0.995 315 V HN 0.799 nan 8.190 nan 0.000 0.429 316 N N 3.115 121.607 118.700 -0.347 0.000 2.648 316 N HA 0.588 5.328 4.740 0.000 0.000 0.261 316 N C 0.539 175.931 175.510 -0.197 0.000 1.138 316 N CA 0.472 53.118 53.050 -0.672 0.000 0.804 316 N CB 1.707 39.719 38.487 -0.791 0.000 1.237 316 N HN 1.096 nan 8.380 nan 0.000 0.532 317 G N 2.501 111.327 108.800 0.044 0.000 2.660 317 G HA2 -0.427 3.533 3.960 0.000 0.000 0.321 317 G HA3 -0.427 3.533 3.960 0.000 0.000 0.321 317 G C 0.574 175.330 174.900 -0.240 0.000 1.246 317 G CA 1.028 46.124 45.100 -0.007 0.000 1.000 317 G HN 0.645 nan 8.290 nan 0.000 0.550 318 D N 1.409 121.584 120.400 -0.377 0.000 2.340 318 D HA 0.154 4.794 4.640 0.000 0.000 0.220 318 D C 0.145 176.345 176.300 -0.166 0.000 1.039 318 D CA 0.661 54.324 54.000 -0.561 0.000 0.866 318 D CB -0.160 40.218 40.800 -0.703 0.000 0.913 318 D HN 0.445 nan 8.370 nan 0.000 0.523 319 D N 0.790 121.128 120.400 -0.103 0.000 2.295 319 D HA 0.320 4.960 4.640 0.000 0.000 0.248 319 D C -0.494 175.790 176.300 -0.026 0.000 1.154 319 D CA -0.364 53.612 54.000 -0.040 0.000 0.857 319 D CB 1.928 42.697 40.800 -0.053 0.000 1.117 319 D HN 0.129 nan 8.370 nan 0.000 0.468 320 L N 3.112 124.356 121.223 0.035 0.000 2.431 320 L HA 0.535 4.875 4.340 0.000 0.000 0.266 320 L C -1.630 175.232 176.870 -0.013 0.000 0.978 320 L CA -0.798 54.068 54.840 0.043 0.000 0.822 320 L CB 2.207 44.358 42.059 0.153 0.000 1.310 320 L HN 0.139 nan 8.230 nan 0.000 0.409 321 V N 5.673 125.533 119.914 -0.089 0.000 2.709 321 V HA 0.817 4.937 4.120 0.000 0.000 0.308 321 V C -1.579 174.335 176.094 -0.301 0.000 1.062 321 V CA -0.336 61.843 62.300 -0.202 0.000 0.901 321 V CB 2.366 34.117 31.823 -0.120 0.000 1.003 321 V HN 0.615 nan 8.190 nan 0.000 0.425 322 V N 7.609 127.152 119.914 -0.619 0.000 2.540 322 V HA 0.591 4.711 4.120 0.000 0.000 0.302 322 V C -0.364 175.504 176.094 -0.377 0.000 1.035 322 V CA -0.446 61.514 62.300 -0.567 0.000 0.873 322 V CB 1.813 33.089 31.823 -0.912 0.000 0.992 322 V HN 0.767 nan 8.190 nan 0.000 0.428 323 I N 5.112 125.584 120.570 -0.163 0.000 2.418 323 I HA 0.671 4.841 4.170 0.000 0.000 0.287 323 I C -0.037 176.028 176.117 -0.087 0.000 1.008 323 I CA -0.309 60.952 61.300 -0.066 0.000 1.104 323 I CB 1.563 39.563 38.000 0.000 0.000 1.264 323 I HN 0.877 nan 8.210 nan 0.000 0.438 324 C N 2.630 121.878 119.300 -0.087 0.000 3.336 324 C HA 0.577 5.037 4.460 0.000 0.000 0.352 324 C C -0.575 174.344 174.990 -0.118 0.000 1.567 324 C CA -0.891 58.080 59.018 -0.079 0.000 1.328 324 C CB 1.899 29.630 27.740 -0.017 0.000 1.922 324 C HN 0.617 nan 8.230 nan 0.000 0.439 325 E N 1.815 121.963 120.200 -0.086 0.000 2.229 325 E HA 0.311 4.661 4.350 0.000 0.000 0.283 325 E C 0.054 176.627 176.600 -0.045 0.000 1.030 325 E CA 0.455 56.801 56.400 -0.090 0.000 0.836 325 E CB 1.765 31.424 29.700 -0.069 0.000 1.068 325 E HN 0.723 nan 8.360 nan 0.000 0.401 326 S N 1.830 117.512 115.700 -0.030 0.000 2.572 326 S HA 0.238 4.708 4.470 0.000 0.000 0.279 326 S C 0.547 175.159 174.600 0.019 0.000 1.341 326 S CA 0.131 58.356 58.200 0.042 0.000 1.043 326 S CB 0.681 63.962 63.200 0.135 0.000 0.887 326 S HN 0.531 nan 8.310 nan 0.000 0.516 327 A N 3.051 125.889 122.820 0.030 0.000 2.535 327 A HA 0.641 4.961 4.320 0.000 0.000 0.273 327 A C 0.883 178.471 177.584 0.007 0.000 1.267 327 A CA 0.215 52.258 52.037 0.011 0.000 0.940 327 A CB -0.918 18.087 19.000 0.009 0.000 1.101 327 A HN 1.934 nan 8.150 nan 0.000 0.521 328 G N -1.115 107.692 108.800 0.011 0.000 2.784 328 G HA2 0.045 4.005 3.960 0.000 0.000 0.686 328 G HA3 0.045 4.005 3.960 0.000 0.000 0.686 328 G C 0.535 175.442 174.900 0.012 0.000 1.156 328 G CA 0.184 45.277 45.100 -0.011 0.000 0.757 328 G HN 1.100 nan 8.290 nan 0.000 0.642 329 T N -1.341 113.188 114.554 -0.041 0.000 2.720 329 T HA -0.168 4.182 4.350 0.000 0.000 0.268 329 T C 2.012 176.732 174.700 0.034 0.000 1.037 329 T CA 2.281 64.378 62.100 -0.004 0.000 1.144 329 T CB -0.250 68.549 68.868 -0.116 0.000 0.864 329 T HN 0.694 nan 8.240 nan 0.000 0.444 330 Q N 0.645 120.447 119.800 0.004 0.000 2.079 330 Q HA -0.088 4.252 4.340 0.000 0.000 0.200 330 Q C 2.481 178.487 176.000 0.011 0.000 0.974 330 Q CA 1.552 57.359 55.803 0.007 0.000 0.840 330 Q CB -0.168 28.568 28.738 -0.004 0.000 0.898 330 Q HN 0.607 nan 8.270 nan 0.000 0.430 331 E N 0.962 121.168 120.200 0.011 0.000 2.077 331 E HA -0.168 4.183 4.350 0.000 0.000 0.193 331 E C 1.588 178.195 176.600 0.012 0.000 0.989 331 E CA 1.209 57.615 56.400 0.009 0.000 0.800 331 E CB -0.077 29.628 29.700 0.008 0.000 0.746 331 E HN 0.266 nan 8.360 nan 0.000 0.452 332 D N 0.209 120.629 120.400 0.034 0.000 2.104 332 D HA -0.160 4.480 4.640 0.000 0.000 0.194 332 D C 1.861 178.150 176.300 -0.020 0.000 0.994 332 D CA 1.580 55.596 54.000 0.027 0.000 0.830 332 D CB -0.457 40.416 40.800 0.121 0.000 0.959 332 D HN 0.208 nan 8.370 nan 0.000 0.452 333 A N 1.139 123.963 122.820 0.007 0.000 1.865 333 A HA -0.117 4.203 4.320 0.000 0.000 0.217 333 A C 2.347 179.914 177.584 -0.029 0.000 1.191 333 A CA 2.691 54.719 52.037 -0.015 0.000 0.623 333 A CB -0.941 18.065 19.000 0.009 0.000 0.826 333 A HN 0.250 nan 8.150 nan 0.000 0.444 334 A N -0.749 122.062 122.820 -0.014 0.000 1.908 334 A HA -0.091 4.230 4.320 0.000 0.000 0.218 334 A C 2.449 180.022 177.584 -0.018 0.000 1.181 334 A CA 2.166 54.196 52.037 -0.012 0.000 0.627 334 A CB -0.925 18.072 19.000 -0.005 0.000 0.818 334 A HN 0.465 nan 8.150 nan 0.000 0.445 335 S N -0.496 115.189 115.700 -0.025 0.000 2.382 335 S HA -0.109 4.361 4.470 0.000 0.000 0.228 335 S C 1.745 176.317 174.600 -0.046 0.000 1.027 335 S CA 1.451 59.636 58.200 -0.025 0.000 0.991 335 S CB -0.352 62.833 63.200 -0.026 0.000 0.823 335 S HN 0.382 nan 8.310 nan 0.000 0.469 336 L N 1.428 122.573 121.223 -0.130 0.000 2.093 336 L HA 0.020 4.360 4.340 0.000 0.000 0.208 336 L C 2.394 179.245 176.870 -0.031 0.000 1.085 336 L CA 1.461 56.172 54.840 -0.216 0.000 0.755 336 L CB -0.460 41.377 42.059 -0.371 0.000 0.904 336 L HN 0.165 nan 8.230 nan 0.000 0.435 337 R N -1.349 119.140 120.500 -0.018 0.000 2.081 337 R HA -0.121 4.219 4.340 0.000 0.000 0.235 337 R C 2.134 178.448 176.300 0.024 0.000 1.131 337 R CA 1.404 57.512 56.100 0.013 0.000 0.960 337 R CB -0.509 29.791 30.300 0.000 0.000 0.856 337 R HN 0.212 nan 8.270 nan 0.000 0.436 338 V N 0.540 120.466 119.914 0.020 0.000 2.453 338 V HA -0.218 3.902 4.120 0.000 0.000 0.247 338 V C 1.888 177.991 176.094 0.015 0.000 1.048 338 V CA 1.558 63.862 62.300 0.008 0.000 1.049 338 V CB -0.568 31.260 31.823 0.009 0.000 0.672 338 V HN 0.221 nan 8.190 nan 0.000 0.457 339 F N 1.630 121.521 119.950 -0.099 0.000 2.095 339 F HA -0.240 4.287 4.527 0.000 0.000 0.298 339 F C 2.433 178.154 175.800 -0.132 0.000 1.104 339 F CA 2.360 60.293 58.000 -0.111 0.000 1.232 339 F CB -0.510 38.413 39.000 -0.128 0.000 0.987 339 F HN 0.101 nan 8.300 nan 0.000 0.475 340 T N 0.132 114.762 114.554 0.127 0.000 2.746 340 T HA -0.206 4.144 4.350 0.000 0.000 0.267 340 T C 1.691 176.364 174.700 -0.044 0.000 1.039 340 T CA 1.824 63.989 62.100 0.107 0.000 1.142 340 T CB -0.360 68.646 68.868 0.229 0.000 0.866 340 T HN 0.404 nan 8.240 nan 0.000 0.444 341 E N 0.904 121.063 120.200 -0.068 0.000 2.110 341 E HA -0.073 4.277 4.350 0.000 0.000 0.193 341 E C 2.514 178.972 176.600 -0.236 0.000 0.988 341 E CA 0.997 57.330 56.400 -0.112 0.000 0.804 341 E CB -0.198 29.452 29.700 -0.083 0.000 0.745 341 E HN 0.487 nan 8.360 nan 0.000 0.458 342 A N 1.115 123.736 122.820 -0.331 0.000 1.873 342 A HA -0.169 4.151 4.320 0.000 0.000 0.215 342 A C 2.152 179.274 177.584 -0.769 0.000 1.186 342 A CA 1.155 52.836 52.037 -0.593 0.000 0.616 342 A CB -0.287 18.430 19.000 -0.471 0.000 0.823 342 A HN 0.106 nan 8.150 nan 0.000 0.442 343 M N -0.111 119.188 119.600 -0.500 0.000 2.108 343 M HA -0.124 4.356 4.480 0.000 0.000 0.261 343 M C 2.198 178.436 176.300 -0.104 0.000 1.066 343 M CA 2.082 57.232 55.300 -0.251 0.000 1.107 343 M CB -1.970 30.420 32.600 -0.351 0.000 1.356 343 M HN 0.463 nan 8.290 nan 0.000 0.406 344 T N 0.233 114.719 114.554 -0.113 0.000 2.684 344 T HA -0.139 4.211 4.350 0.000 0.000 0.267 344 T C 1.980 176.617 174.700 -0.104 0.000 1.036 344 T CA 1.241 63.306 62.100 -0.058 0.000 1.148 344 T CB -0.235 68.604 68.868 -0.049 0.000 0.863 344 T HN 0.383 nan 8.240 nan 0.000 0.436 345 R N 0.083 120.449 120.500 -0.223 0.000 2.105 345 R HA -0.063 4.277 4.340 0.000 0.000 0.239 345 R C 2.042 178.273 176.300 -0.115 0.000 1.135 345 R CA 1.378 57.349 56.100 -0.215 0.000 0.967 345 R CB -0.447 29.648 30.300 -0.341 0.000 0.861 345 R HN 0.573 nan 8.270 nan 0.000 0.442 346 Y N 0.171 120.422 120.300 -0.081 0.000 2.632 346 Y HA -0.042 4.508 4.550 0.000 0.000 0.301 346 Y C 0.855 176.711 175.900 -0.072 0.000 1.172 346 Y CA -0.091 57.950 58.100 -0.098 0.000 1.328 346 Y CB 0.256 38.685 38.460 -0.051 0.000 1.016 346 Y HN 0.030 nan 8.280 nan 0.000 0.529 347 S N 0.462 116.206 115.700 0.073 0.000 3.963 347 S HA -0.115 4.355 4.470 0.000 0.000 0.438 347 S C -0.270 174.356 174.600 0.044 0.000 0.879 347 S CA 0.269 58.496 58.200 0.045 0.000 1.262 347 S CB -1.355 61.862 63.200 0.028 0.000 0.850 347 S HN 0.686 nan 8.310 nan 0.000 0.570 348 A N 2.127 124.994 122.820 0.078 0.000 3.426 348 A HA 0.533 4.853 4.320 0.000 0.000 0.222 348 A C -2.312 175.402 177.584 0.218 0.000 1.090 348 A CA -0.330 51.792 52.037 0.141 0.000 1.026 348 A CB 0.792 19.921 19.000 0.215 0.000 1.342 348 A HN 0.476 nan 8.150 nan 0.000 0.695 349 P HA 0.272 nan 4.420 nan 0.000 0.270 349 P C -2.881 174.486 177.300 0.111 0.000 1.223 349 P CA -0.895 62.268 63.100 0.105 0.000 0.785 349 P CB 0.273 31.966 31.700 -0.012 0.000 0.923 350 P HA 0.070 nan 4.420 nan 0.000 0.279 350 P C 1.030 178.279 177.300 -0.085 0.000 1.239 350 P CA 0.126 63.152 63.100 -0.122 0.000 0.789 350 P CB 0.705 32.352 31.700 -0.087 0.000 0.933 351 G N 3.088 111.826 108.800 -0.104 0.000 2.453 351 G HA2 -0.093 3.867 3.960 0.000 0.000 0.215 351 G HA3 -0.093 3.867 3.960 0.000 0.000 0.215 351 G C 0.065 174.930 174.900 -0.058 0.000 1.201 351 G CA 0.697 45.761 45.100 -0.060 0.000 0.784 351 G HN 0.491 nan 8.290 nan 0.000 0.545 352 D N -0.069 120.284 120.400 -0.078 0.000 2.457 352 D HA 0.428 5.068 4.640 0.000 0.000 0.240 352 D C -2.700 173.571 176.300 -0.049 0.000 1.041 352 D CA -1.323 52.648 54.000 -0.048 0.000 0.861 352 D CB 1.977 42.757 40.800 -0.034 0.000 1.394 352 D HN -0.088 nan 8.370 nan 0.000 0.473 353 P HA 0.170 nan 4.420 nan 0.000 0.268 353 P C -2.337 174.985 177.300 0.037 0.000 1.204 353 P CA -0.821 62.294 63.100 0.026 0.000 0.768 353 P CB -0.097 31.616 31.700 0.022 0.000 0.842 354 P HA 0.072 nan 4.420 nan 0.000 0.271 354 P C -0.868 176.440 177.300 0.012 0.000 1.218 354 P CA 0.072 63.239 63.100 0.113 0.000 0.780 354 P CB 0.728 32.572 31.700 0.239 0.000 0.901 355 Q N 2.017 121.838 119.800 0.035 0.000 2.330 355 Q HA 0.425 4.765 4.340 0.000 0.000 0.269 355 Q C -2.418 173.579 176.000 -0.005 0.000 1.022 355 Q CA -2.122 53.682 55.803 0.001 0.000 0.796 355 Q CB 1.497 30.249 28.738 0.022 0.000 1.271 355 Q HN 0.337 nan 8.270 nan 0.000 0.450 356 P HA 0.143 nan 4.420 nan 0.000 0.268 356 P C -0.545 176.634 177.300 -0.201 0.000 1.204 356 P CA 0.104 63.120 63.100 -0.140 0.000 0.768 356 P CB 0.708 32.349 31.700 -0.100 0.000 0.842 357 E N 1.339 121.332 120.200 -0.345 0.000 2.293 357 E HA 0.373 4.723 4.350 0.000 0.000 0.270 357 E C -1.075 175.265 176.600 -0.434 0.000 0.879 357 E CA -0.463 55.782 56.400 -0.259 0.000 0.756 357 E CB 0.955 30.620 29.700 -0.059 0.000 1.208 357 E HN 0.341 nan 8.360 nan 0.000 0.428 358 Y N 0.493 120.936 120.300 0.238 0.000 2.612 358 Y HA 0.332 4.882 4.550 0.000 0.000 0.250 358 Y C -0.069 176.091 175.900 0.433 0.000 1.175 358 Y CA -0.523 57.781 58.100 0.340 0.000 1.205 358 Y CB 1.103 39.665 38.460 0.171 0.000 1.201 358 Y HN 0.257 nan 8.280 nan 0.000 0.532 359 D N 0.440 121.002 120.400 0.271 0.000 2.575 359 D HA 0.105 4.745 4.640 0.000 0.000 0.250 359 D C 0.617 176.672 176.300 -0.408 0.000 1.279 359 D CA -0.366 53.651 54.000 0.028 0.000 0.925 359 D CB 1.596 42.422 40.800 0.043 0.000 1.261 359 D HN 0.106 nan 8.370 nan 0.000 0.567 360 L N 4.343 124.925 121.223 -1.067 0.000 2.051 360 L HA -0.156 4.184 4.340 0.000 0.000 0.214 360 L C 1.622 178.151 176.870 -0.569 0.000 1.076 360 L CA 2.067 56.151 54.840 -1.259 0.000 0.758 360 L CB -0.315 40.794 42.059 -1.583 0.000 0.890 360 L HN 0.534 nan 8.230 nan 0.000 0.433 361 E N -0.830 119.145 120.200 -0.374 0.000 2.338 361 E HA -0.157 4.193 4.350 0.000 0.000 0.197 361 E C 1.878 178.384 176.600 -0.156 0.000 1.007 361 E CA 0.818 57.089 56.400 -0.214 0.000 0.849 361 E CB -0.191 29.430 29.700 -0.132 0.000 0.774 361 E HN 0.542 nan 8.360 nan 0.000 0.506 362 L N 1.002 122.133 121.223 -0.153 0.000 2.611 362 L HA 0.189 4.529 4.340 0.000 0.000 0.229 362 L C 0.548 177.364 176.870 -0.090 0.000 1.137 362 L CA -0.106 54.681 54.840 -0.089 0.000 0.901 362 L CB 0.123 42.155 42.059 -0.045 0.000 1.098 362 L HN 0.031 nan 8.230 nan 0.000 0.456 363 I N 0.088 120.575 120.570 -0.139 0.000 2.315 363 I HA 0.134 4.304 4.170 0.000 0.000 0.291 363 I C -0.045 176.022 176.117 -0.082 0.000 1.006 363 I CA 0.078 61.313 61.300 -0.108 0.000 1.265 363 I CB 1.495 39.404 38.000 -0.153 0.000 1.387 363 I HN -0.084 nan 8.210 nan 0.000 0.475 364 T N 4.884 119.411 114.554 -0.044 0.000 2.756 364 T HA 0.398 4.748 4.350 0.000 0.000 0.290 364 T C -0.218 174.474 174.700 -0.014 0.000 0.985 364 T CA -0.617 61.467 62.100 -0.027 0.000 0.955 364 T CB 0.780 69.638 68.868 -0.016 0.000 0.930 364 T HN 0.690 nan 8.240 nan 0.000 0.451 365 S N 1.268 116.961 115.700 -0.012 0.000 2.614 365 S HA 0.447 4.917 4.470 0.000 0.000 0.288 365 S C 0.188 174.795 174.600 0.013 0.000 1.137 365 S CA -0.808 57.388 58.200 -0.007 0.000 0.992 365 S CB 0.859 64.040 63.200 -0.032 0.000 1.026 365 S HN 0.929 nan 8.310 nan 0.000 0.486 366 C N 2.893 122.205 119.300 0.020 0.000 4.424 366 C HA -0.186 4.274 4.460 0.000 0.000 0.304 366 C C 1.223 176.267 174.990 0.089 0.000 1.344 366 C CA 0.875 59.920 59.018 0.044 0.000 2.033 366 C CB -3.077 24.675 27.740 0.020 0.000 1.264 366 C HN 1.922 nan 8.230 nan 0.000 0.750 367 S N -0.811 114.931 115.700 0.070 0.000 3.358 367 S HA -0.228 4.242 4.470 0.000 0.000 0.309 367 S C 0.249 174.897 174.600 0.080 0.000 1.247 367 S CA 1.494 59.737 58.200 0.072 0.000 0.961 367 S CB -1.430 61.827 63.200 0.096 0.000 1.074 367 S HN 2.078 nan 8.310 nan 0.000 0.625 368 S N 0.716 116.468 115.700 0.086 0.000 2.651 368 S HA 0.831 5.301 4.470 0.000 0.000 0.279 368 S C -0.946 173.675 174.600 0.035 0.000 1.148 368 S CA -0.677 57.583 58.200 0.100 0.000 0.837 368 S CB 2.058 65.408 63.200 0.250 0.000 1.138 368 S HN 0.553 nan 8.310 nan 0.000 0.478 369 N N -0.897 117.812 118.700 0.015 0.000 2.494 369 N HA 0.425 5.166 4.740 0.000 0.000 0.270 369 N C -1.647 173.804 175.510 -0.098 0.000 1.285 369 N CA -0.675 52.342 53.050 -0.054 0.000 0.812 369 N CB 1.543 39.986 38.487 -0.072 0.000 1.557 369 N HN 0.471 nan 8.380 nan 0.000 0.487 370 V N 0.421 120.245 119.914 -0.149 0.000 2.649 370 V HA 0.500 4.620 4.120 0.000 0.000 0.292 370 V C 0.382 176.341 176.094 -0.224 0.000 1.055 370 V CA -0.054 62.132 62.300 -0.190 0.000 1.023 370 V CB 1.084 32.798 31.823 -0.182 0.000 0.992 370 V HN 0.843 nan 8.190 nan 0.000 0.480 371 S N 2.652 118.129 115.700 -0.371 0.000 2.651 371 S HA 0.795 5.265 4.470 0.000 0.000 0.279 371 S C -1.213 173.243 174.600 -0.241 0.000 1.148 371 S CA -0.508 57.498 58.200 -0.324 0.000 0.837 371 S CB 2.058 65.028 63.200 -0.383 0.000 1.138 371 S HN 0.427 nan 8.310 nan 0.000 0.478 372 V N 1.743 121.619 119.914 -0.063 0.000 2.628 372 V HA 0.970 5.090 4.120 0.000 0.000 0.306 372 V C 0.342 176.424 176.094 -0.019 0.000 1.045 372 V CA -0.248 61.973 62.300 -0.132 0.000 0.905 372 V CB 0.976 32.615 31.823 -0.307 0.000 0.997 372 V HN 1.113 nan 8.190 nan 0.000 0.436 373 A N 2.810 125.504 122.820 -0.211 0.000 2.524 373 A HA 0.876 5.196 4.320 0.000 0.000 0.289 373 A C -1.175 176.061 177.584 -0.580 0.000 1.248 373 A CA -0.632 51.166 52.037 -0.399 0.000 0.712 373 A CB 1.813 20.361 19.000 -0.754 0.000 1.312 373 A HN 0.867 nan 8.150 nan 0.000 0.441 374 H N 0.357 119.121 119.070 -0.509 0.000 2.637 374 H HA 0.369 4.926 4.556 0.000 0.000 0.363 374 H C -1.126 174.006 175.328 -0.327 0.000 1.131 374 H CA -0.483 55.314 56.048 -0.420 0.000 1.183 374 H CB 1.952 31.422 29.762 -0.488 0.000 1.637 374 H HN 0.918 nan 8.280 nan 0.000 0.531 375 D N 0.712 121.086 120.400 -0.043 0.000 2.433 375 D HA 0.150 4.790 4.640 0.000 0.000 0.255 375 D C 1.249 177.674 176.300 0.208 0.000 1.226 375 D CA -0.496 53.537 54.000 0.054 0.000 1.015 375 D CB 0.494 41.300 40.800 0.010 0.000 1.091 375 D HN 0.477 nan 8.370 nan 0.000 0.527 376 A N -0.263 122.654 122.820 0.162 0.000 2.076 376 A HA -0.161 4.159 4.320 0.000 0.000 0.220 376 A C 2.082 179.731 177.584 0.107 0.000 1.160 376 A CA 2.011 54.118 52.037 0.116 0.000 0.653 376 A CB -0.907 18.119 19.000 0.043 0.000 0.801 376 A HN 0.502 nan 8.150 nan 0.000 0.455 377 S N -2.021 113.735 115.700 0.093 0.000 2.496 377 S HA 0.293 4.763 4.470 0.000 0.000 0.224 377 S C 1.437 176.087 174.600 0.084 0.000 0.996 377 S CA 1.458 59.699 58.200 0.068 0.000 0.927 377 S CB -0.239 62.988 63.200 0.045 0.000 0.774 377 S HN 1.787 nan 8.310 nan 0.000 0.524 378 G N 0.896 109.771 108.800 0.126 0.000 2.176 378 G HA2 -0.230 3.730 3.960 0.000 0.000 0.232 378 G HA3 -0.230 3.730 3.960 0.000 0.000 0.232 378 G C 0.045 175.041 174.900 0.160 0.000 0.986 378 G CA 0.246 45.421 45.100 0.125 0.000 0.643 378 G HN 0.651 nan 8.290 nan 0.000 0.522 379 K N 1.049 121.494 120.400 0.075 0.000 2.326 379 K HA 0.436 4.756 4.320 0.000 0.000 0.275 379 K C 0.773 177.293 176.600 -0.133 0.000 1.018 379 K CA -0.655 55.636 56.287 0.006 0.000 0.962 379 K CB 0.303 32.795 32.500 -0.012 0.000 0.953 379 K HN 0.297 nan 8.250 nan 0.000 0.475 380 R N 1.825 122.172 120.500 -0.256 0.000 2.537 380 R HA 0.133 4.474 4.340 0.000 0.000 0.280 380 R C -0.750 175.290 176.300 -0.432 0.000 1.058 380 R CA -0.283 55.477 56.100 -0.566 0.000 1.057 380 R CB 0.745 30.738 30.300 -0.513 0.000 0.973 380 R HN 0.260 nan 8.270 nan 0.000 0.438 381 V N 4.725 124.348 119.914 -0.485 0.000 2.525 381 V HA 0.226 4.346 4.120 0.000 0.000 0.299 381 V C -0.878 175.081 176.094 -0.225 0.000 1.034 381 V CA -0.912 61.226 62.300 -0.269 0.000 0.863 381 V CB 1.138 32.853 31.823 -0.180 0.000 0.999 381 V HN 0.605 nan 8.190 nan 0.000 0.423 382 Y N 5.285 125.578 120.300 -0.010 0.000 2.299 382 Y HA 0.617 5.167 4.550 0.000 0.000 0.326 382 Y C 0.047 176.010 175.900 0.105 0.000 1.164 382 Y CA -0.001 58.100 58.100 0.002 0.000 1.234 382 Y CB 1.186 39.608 38.460 -0.062 0.000 1.219 382 Y HN 0.752 nan 8.280 nan 0.000 0.497 383 Y N 0.622 120.978 120.300 0.092 0.000 2.609 383 Y HA 0.602 5.152 4.550 0.000 0.000 0.336 383 Y C -2.241 173.710 175.900 0.085 0.000 1.129 383 Y CA -1.973 56.160 58.100 0.056 0.000 1.040 383 Y CB 0.523 38.981 38.460 -0.003 0.000 1.310 383 Y HN 0.455 nan 8.280 nan 0.000 0.460 384 L N 2.471 123.732 121.223 0.065 0.000 2.305 384 L HA 0.732 5.072 4.340 0.000 0.000 0.281 384 L C 0.097 177.134 176.870 0.279 0.000 1.085 384 L CA 0.567 55.455 54.840 0.081 0.000 0.813 384 L CB 1.248 43.403 42.059 0.160 0.000 1.157 384 L HN 1.030 nan 8.230 nan 0.000 0.436 385 T N 4.445 119.102 114.554 0.172 0.000 2.716 385 T HA 0.875 5.225 4.350 0.000 0.000 0.286 385 T C -1.219 173.548 174.700 0.113 0.000 1.052 385 T CA -0.622 61.633 62.100 0.258 0.000 1.024 385 T CB 1.150 70.172 68.868 0.257 0.000 1.349 385 T HN 0.839 nan 8.240 nan 0.000 0.525 386 R N 0.533 121.052 120.500 0.032 0.000 2.712 386 R HA 0.430 4.770 4.340 0.000 0.000 0.272 386 R C -1.602 174.523 176.300 -0.292 0.000 1.032 386 R CA -0.971 55.049 56.100 -0.133 0.000 0.874 386 R CB 0.411 30.575 30.300 -0.227 0.000 1.256 386 R HN 0.533 nan 8.270 nan 0.000 0.468 387 D N 2.351 122.590 120.400 -0.268 0.000 2.450 387 D HA 0.038 4.678 4.640 0.000 0.000 0.247 387 D C -1.323 174.630 176.300 -0.579 0.000 1.162 387 D CA -1.224 52.575 54.000 -0.336 0.000 0.879 387 D CB 1.264 41.948 40.800 -0.194 0.000 1.163 387 D HN 0.383 nan 8.370 nan 0.000 0.472 388 P HA -0.021 nan 4.420 nan 0.000 0.245 388 P C 1.130 178.110 177.300 -0.533 0.000 1.212 388 P CA 0.152 62.582 63.100 -1.116 0.000 0.774 388 P CB 0.296 31.139 31.700 -1.430 0.000 0.999 389 T N 0.168 114.524 114.554 -0.330 0.000 2.607 389 T HA -0.151 4.199 4.350 0.000 0.000 0.267 389 T C 1.788 176.420 174.700 -0.114 0.000 1.049 389 T CA 2.556 64.557 62.100 -0.165 0.000 1.162 389 T CB -1.195 67.619 68.868 -0.091 0.000 0.863 389 T HN 0.212 nan 8.240 nan 0.000 0.424 390 T N 2.261 116.756 114.554 -0.097 0.000 2.708 390 T HA -0.061 4.289 4.350 0.000 0.000 0.266 390 T C -0.509 174.144 174.700 -0.077 0.000 1.037 390 T CA 1.302 63.366 62.100 -0.060 0.000 1.146 390 T CB -1.293 67.573 68.868 -0.003 0.000 0.865 390 T HN 0.336 nan 8.240 nan 0.000 0.435 391 P HA -0.008 nan 4.420 nan 0.000 0.216 391 P C 1.490 178.821 177.300 0.052 0.000 1.150 391 P CA 0.930 64.037 63.100 0.013 0.000 0.843 391 P CB -0.184 31.521 31.700 0.009 0.000 0.787 392 L N -1.436 119.769 121.223 -0.029 0.000 2.072 392 L HA -0.099 4.241 4.340 0.000 0.000 0.205 392 L C 2.472 179.362 176.870 0.033 0.000 1.079 392 L CA 1.365 56.207 54.840 0.004 0.000 0.752 392 L CB -1.149 40.874 42.059 -0.060 0.000 0.906 392 L HN -0.060 nan 8.230 nan 0.000 0.436 393 A N 0.308 123.136 122.820 0.013 0.000 1.902 393 A HA -0.204 4.116 4.320 0.000 0.000 0.217 393 A C 2.388 180.017 177.584 0.075 0.000 1.181 393 A CA 1.496 53.556 52.037 0.039 0.000 0.623 393 A CB -0.437 18.559 19.000 -0.007 0.000 0.818 393 A HN 0.327 nan 8.150 nan 0.000 0.443 394 R N -0.673 119.847 120.500 0.034 0.000 2.090 394 R HA 0.009 4.349 4.340 0.000 0.000 0.228 394 R C 2.499 178.941 176.300 0.237 0.000 1.110 394 R CA 1.020 57.164 56.100 0.073 0.000 0.973 394 R CB -0.450 29.840 30.300 -0.017 0.000 0.869 394 R HN 0.503 nan 8.270 nan 0.000 0.440 395 A N 1.577 124.550 122.820 0.256 0.000 1.908 395 A HA -0.148 4.172 4.320 0.000 0.000 0.218 395 A C 2.400 180.173 177.584 0.315 0.000 1.181 395 A CA 1.792 54.082 52.037 0.422 0.000 0.627 395 A CB -0.637 18.611 19.000 0.414 0.000 0.818 395 A HN 0.389 nan 8.150 nan 0.000 0.445 396 A N -1.304 121.614 122.820 0.164 0.000 1.877 396 A HA -0.191 4.129 4.320 0.000 0.000 0.216 396 A C 2.125 179.833 177.584 0.206 0.000 1.186 396 A CA 1.426 53.532 52.037 0.115 0.000 0.620 396 A CB -0.935 18.127 19.000 0.104 0.000 0.822 396 A HN 0.848 nan 8.150 nan 0.000 0.443 397 W N 1.041 122.384 121.300 0.072 0.000 2.335 397 W HA -0.176 4.484 4.660 0.000 0.000 0.311 397 W C 1.677 178.254 176.519 0.098 0.000 1.213 397 W CA 2.044 59.428 57.345 0.066 0.000 1.274 397 W CB -0.332 29.142 29.460 0.024 0.000 1.148 397 W HN 0.553 nan 8.180 nan 0.000 0.498 398 E N -0.737 119.710 120.200 0.411 0.000 2.338 398 E HA -0.142 4.208 4.350 0.000 0.000 0.197 398 E C 2.001 178.766 176.600 0.275 0.000 1.007 398 E CA 1.606 58.212 56.400 0.343 0.000 0.849 398 E CB -0.120 29.836 29.700 0.427 0.000 0.774 398 E HN 0.129 nan 8.360 nan 0.000 0.506 399 T N 0.257 114.965 114.554 0.256 0.000 2.894 399 T HA -0.005 4.345 4.350 0.000 0.000 0.258 399 T C 1.940 176.686 174.700 0.076 0.000 1.043 399 T CA 0.981 63.198 62.100 0.196 0.000 1.141 399 T CB 0.007 68.997 68.868 0.202 0.000 0.873 399 T HN 0.213 nan 8.240 nan 0.000 0.449 400 A N 1.228 124.048 122.820 0.001 0.000 2.016 400 A HA 0.166 4.486 4.320 0.000 0.000 0.217 400 A C 1.203 178.701 177.584 -0.144 0.000 1.162 400 A CA 0.603 52.585 52.037 -0.092 0.000 0.662 400 A CB 0.044 18.948 19.000 -0.159 0.000 0.812 400 A HN 0.349 nan 8.150 nan 0.000 0.450 401 R N -1.402 118.996 120.500 -0.171 0.000 2.795 401 R HA 0.401 4.741 4.340 0.000 0.000 0.275 401 R C -1.223 175.089 176.300 0.021 0.000 0.981 401 R CA -0.840 55.173 56.100 -0.144 0.000 0.917 401 R CB 1.113 31.194 30.300 -0.365 0.000 1.202 401 R HN 0.414 nan 8.270 nan 0.000 0.469 402 H N 0.710 119.776 119.070 -0.006 0.000 2.767 402 H HA 0.206 4.762 4.556 0.000 0.000 0.316 402 H C -0.958 174.412 175.328 0.070 0.000 1.059 402 H CA 0.625 56.699 56.048 0.043 0.000 1.461 402 H CB 0.794 30.570 29.762 0.022 0.000 1.475 402 H HN 0.360 nan 8.280 nan 0.000 0.531 403 T N 7.975 122.268 114.554 -0.434 0.000 2.840 403 T HA 0.171 4.521 4.350 0.000 0.000 0.287 403 T C -1.740 172.726 174.700 -0.389 0.000 0.991 403 T CA -1.232 60.719 62.100 -0.248 0.000 0.964 403 T CB 1.667 70.546 68.868 0.019 0.000 0.954 403 T HN 0.528 nan 8.240 nan 0.000 0.438 404 P HA -0.022 nan 4.420 nan 0.000 0.219 404 P C -0.022 177.201 177.300 -0.129 0.000 1.146 404 P CA 0.675 63.649 63.100 -0.210 0.000 0.808 404 P CB 0.213 31.799 31.700 -0.189 0.000 0.779 405 V N 0.971 120.818 119.914 -0.111 0.000 2.459 405 V HA 0.228 4.348 4.120 0.000 0.000 0.295 405 V C -0.005 176.018 176.094 -0.118 0.000 1.029 405 V CA -0.800 61.438 62.300 -0.103 0.000 0.874 405 V CB 1.662 33.435 31.823 -0.083 0.000 0.985 405 V HN -0.007 nan 8.190 nan 0.000 0.438 406 N N 3.023 121.592 118.700 -0.218 0.000 2.678 406 N HA 0.097 4.837 4.740 0.000 0.000 0.231 406 N C 1.210 176.471 175.510 -0.414 0.000 1.038 406 N CA 0.031 52.853 53.050 -0.380 0.000 0.932 406 N CB 1.734 39.728 38.487 -0.821 0.000 1.176 406 N HN 0.805 nan 8.380 nan 0.000 0.511 407 S N 1.794 117.393 115.700 -0.168 0.000 2.423 407 S HA -0.109 4.361 4.470 0.000 0.000 0.231 407 S C 1.783 176.340 174.600 -0.072 0.000 1.014 407 S CA 0.090 58.234 58.200 -0.094 0.000 0.965 407 S CB -0.403 62.792 63.200 -0.008 0.000 0.785 407 S HN 0.791 nan 8.310 nan 0.000 0.495 408 W N 1.153 122.361 121.300 -0.153 0.000 2.363 408 W HA -0.013 4.647 4.660 0.000 0.000 0.296 408 W C 1.628 178.026 176.519 -0.201 0.000 1.212 408 W CA 0.388 57.589 57.345 -0.241 0.000 1.260 408 W CB -0.981 27.997 29.460 -0.804 0.000 1.131 408 W HN 0.353 nan 8.180 nan 0.000 0.530 409 L N 2.810 123.415 121.223 -1.030 0.000 2.072 409 L HA 0.152 4.492 4.340 0.000 0.000 0.205 409 L C 2.746 179.415 176.870 -0.335 0.000 1.079 409 L CA 2.762 57.076 54.840 -0.876 0.000 0.752 409 L CB -1.380 39.962 42.059 -1.195 0.000 0.906 409 L HN 0.058 nan 8.230 nan 0.000 0.436 410 G N -0.589 108.035 108.800 -0.293 0.000 2.440 410 G HA2 -0.325 3.635 3.960 0.000 0.000 0.218 410 G HA3 -0.325 3.635 3.960 0.000 0.000 0.218 410 G C 1.481 176.377 174.900 -0.007 0.000 1.154 410 G CA 0.904 45.918 45.100 -0.144 0.000 0.767 410 G HN 0.442 nan 8.290 nan 0.000 0.552 411 N N 0.495 119.251 118.700 0.093 0.000 2.188 411 N HA 0.003 4.743 4.740 0.000 0.000 0.184 411 N C 2.268 177.912 175.510 0.223 0.000 1.018 411 N CA 0.608 53.829 53.050 0.287 0.000 0.858 411 N CB -0.160 38.574 38.487 0.411 0.000 0.989 411 N HN 0.336 nan 8.380 nan 0.000 0.426 412 I N 1.001 121.674 120.570 0.171 0.000 2.226 412 I HA -0.214 3.956 4.170 0.000 0.000 0.245 412 I C 2.028 178.209 176.117 0.106 0.000 1.100 412 I CA 0.916 62.307 61.300 0.153 0.000 1.374 412 I CB -0.163 37.990 38.000 0.256 0.000 1.057 412 I HN 0.049 nan 8.210 nan 0.000 0.413 413 I N 0.036 120.665 120.570 0.097 0.000 2.202 413 I HA -0.282 3.888 4.170 0.000 0.000 0.242 413 I C 2.526 178.750 176.117 0.179 0.000 1.091 413 I CA 1.204 62.589 61.300 0.142 0.000 1.368 413 I CB -0.233 37.828 38.000 0.100 0.000 1.058 413 I HN 0.212 nan 8.210 nan 0.000 0.410 414 M N -0.621 118.999 119.600 0.034 0.000 2.254 414 M HA -0.112 4.368 4.480 0.000 0.000 0.265 414 M C 1.287 177.411 176.300 -0.294 0.000 1.066 414 M CA 1.725 56.950 55.300 -0.126 0.000 1.123 414 M CB -0.878 31.520 32.600 -0.337 0.000 1.388 414 M HN 0.225 nan 8.290 nan 0.000 0.425 415 Y N -0.520 119.769 120.300 -0.019 0.000 2.720 415 Y HA 0.431 4.981 4.550 0.000 0.000 0.277 415 Y C 1.897 177.543 175.900 -0.422 0.000 1.144 415 Y CA -0.290 57.680 58.100 -0.217 0.000 1.221 415 Y CB -0.462 37.811 38.460 -0.312 0.000 1.163 415 Y HN 0.180 nan 8.280 nan 0.000 0.537 416 A N 1.160 123.811 122.820 -0.282 0.000 1.927 416 A HA -0.192 4.128 4.320 0.000 0.000 0.220 416 A C -0.459 176.880 177.584 -0.408 0.000 1.185 416 A CA 1.733 53.585 52.037 -0.309 0.000 0.639 416 A CB -1.425 17.455 19.000 -0.199 0.000 0.820 416 A HN 0.293 nan 8.150 nan 0.000 0.451 417 P HA -0.001 nan 4.420 nan 0.000 0.229 417 P C 0.716 177.751 177.300 -0.442 0.000 1.160 417 P CA 1.279 64.106 63.100 -0.456 0.000 0.777 417 P CB -0.429 30.994 31.700 -0.462 0.000 0.814 418 T N -1.496 112.803 114.554 -0.426 0.000 2.926 418 T HA 0.090 4.440 4.350 0.000 0.000 0.307 418 T C 1.280 175.587 174.700 -0.655 0.000 1.059 418 T CA -0.464 61.340 62.100 -0.494 0.000 1.122 418 T CB 0.432 68.767 68.868 -0.889 0.000 0.972 418 T HN -0.045 nan 8.240 nan 0.000 0.545 419 L N 1.061 121.811 121.223 -0.789 0.000 2.201 419 L HA 0.142 4.482 4.340 0.000 0.000 0.212 419 L C 2.346 178.915 176.870 -0.501 0.000 1.105 419 L CA 0.678 55.022 54.840 -0.827 0.000 0.775 419 L CB -1.248 40.099 42.059 -1.187 0.000 0.913 419 L HN 0.873 nan 8.230 nan 0.000 0.440 420 W N 0.258 121.350 121.300 -0.347 0.000 2.453 420 W HA 0.223 4.883 4.660 0.000 0.000 0.289 420 W C 2.094 178.478 176.519 -0.224 0.000 1.215 420 W CA 0.564 57.742 57.345 -0.278 0.000 1.297 420 W CB -1.120 28.213 29.460 -0.213 0.000 1.113 420 W HN 0.279 nan 8.180 nan 0.000 0.551 421 A N 1.799 124.244 122.820 -0.626 0.000 1.929 421 A HA -0.085 4.235 4.320 0.000 0.000 0.216 421 A C 2.255 179.714 177.584 -0.209 0.000 1.176 421 A CA 1.429 53.235 52.037 -0.385 0.000 0.628 421 A CB -0.671 17.965 19.000 -0.606 0.000 0.816 421 A HN 0.276 nan 8.150 nan 0.000 0.444 422 R N -0.927 119.365 120.500 -0.347 0.000 2.057 422 R HA 0.033 4.374 4.340 0.000 0.000 0.229 422 R C 2.249 178.362 176.300 -0.311 0.000 1.136 422 R CA 1.751 57.652 56.100 -0.331 0.000 0.952 422 R CB -0.371 29.601 30.300 -0.546 0.000 0.848 422 R HN 0.499 nan 8.270 nan 0.000 0.430 423 M N -0.182 119.080 119.600 -0.563 0.000 2.236 423 M HA -0.025 4.455 4.480 0.000 0.000 0.266 423 M C 1.998 178.209 176.300 -0.149 0.000 1.070 423 M CA 1.478 56.508 55.300 -0.449 0.000 1.137 423 M CB 0.066 32.322 32.600 -0.574 0.000 1.378 423 M HN 0.125 nan 8.290 nan 0.000 0.426 424 I N -0.597 119.749 120.570 -0.374 0.000 2.726 424 I HA -0.107 4.063 4.170 0.000 0.000 0.243 424 I C 2.135 178.058 176.117 -0.323 0.000 1.082 424 I CA 0.461 61.298 61.300 -0.773 0.000 1.447 424 I CB -0.299 37.239 38.000 -0.770 0.000 1.250 424 I HN 0.150 nan 8.210 nan 0.000 0.453 425 L N 0.317 121.534 121.223 -0.011 0.000 2.017 425 L HA -0.212 4.128 4.340 0.000 0.000 0.208 425 L C 2.705 179.843 176.870 0.447 0.000 1.073 425 L CA 1.655 56.667 54.840 0.287 0.000 0.745 425 L CB -0.503 41.785 42.059 0.380 0.000 0.894 425 L HN 0.288 nan 8.230 nan 0.000 0.432 426 M N -0.843 118.993 119.600 0.393 0.000 2.117 426 M HA -0.179 4.301 4.480 0.000 0.000 0.262 426 M C 2.313 179.102 176.300 0.815 0.000 1.065 426 M CA 1.989 57.638 55.300 0.582 0.000 1.114 426 M CB -0.635 32.135 32.600 0.284 0.000 1.361 426 M HN 0.267 nan 8.290 nan 0.000 0.408 427 T N -1.323 113.670 114.554 0.730 0.000 2.674 427 T HA -0.226 4.124 4.350 0.000 0.000 0.265 427 T C 1.652 176.622 174.700 0.450 0.000 1.039 427 T CA 1.922 64.440 62.100 0.696 0.000 1.150 427 T CB -0.572 68.739 68.868 0.740 0.000 0.864 427 T HN 0.492 nan 8.240 nan 0.000 0.427 428 H N 0.291 119.496 119.070 0.225 0.000 2.319 428 H HA -0.037 4.519 4.556 0.000 0.000 0.299 428 H C 1.806 176.962 175.328 -0.286 0.000 1.092 428 H CA 1.714 57.744 56.048 -0.030 0.000 1.302 428 H CB -0.469 29.116 29.762 -0.296 0.000 1.373 428 H HN 0.390 nan 8.280 nan 0.000 0.497 429 F N -1.293 118.658 119.950 0.001 0.000 2.259 429 F HA -0.023 4.504 4.527 0.000 0.000 0.298 429 F C 1.806 177.448 175.800 -0.263 0.000 1.088 429 F CA 0.440 58.221 58.000 -0.364 0.000 1.358 429 F CB -0.231 38.246 39.000 -0.872 0.000 1.040 429 F HN 0.152 nan 8.300 nan 0.000 0.505 430 F N -0.719 119.335 119.950 0.174 0.000 2.259 430 F HA -0.160 4.367 4.527 0.000 0.000 0.298 430 F C 2.673 178.489 175.800 0.028 0.000 1.088 430 F CA 1.305 59.407 58.000 0.171 0.000 1.358 430 F CB -0.725 38.460 39.000 0.308 0.000 1.040 430 F HN -0.124 nan 8.300 nan 0.000 0.505 431 S N 0.258 116.013 115.700 0.091 0.000 2.356 431 S HA -0.145 4.325 4.470 0.000 0.000 0.223 431 S C 2.196 176.731 174.600 -0.109 0.000 1.032 431 S CA 1.163 59.343 58.200 -0.034 0.000 1.005 431 S CB -0.324 62.826 63.200 -0.083 0.000 0.867 431 S HN 0.157 nan 8.310 nan 0.000 0.449 432 I N 1.899 122.330 120.570 -0.231 0.000 2.179 432 I HA -0.140 4.030 4.170 0.000 0.000 0.242 432 I C 2.287 178.350 176.117 -0.090 0.000 1.088 432 I CA 1.268 62.437 61.300 -0.218 0.000 1.357 432 I CB -1.449 36.353 38.000 -0.329 0.000 1.051 432 I HN 0.366 nan 8.210 nan 0.000 0.409 433 L N -0.152 121.028 121.223 -0.072 0.000 2.131 433 L HA -0.210 4.130 4.340 0.000 0.000 0.210 433 L C 2.606 179.485 176.870 0.014 0.000 1.092 433 L CA 1.042 55.869 54.840 -0.022 0.000 0.759 433 L CB -0.483 41.526 42.059 -0.083 0.000 0.903 433 L HN 0.221 nan 8.230 nan 0.000 0.435 434 L N -0.572 120.666 121.223 0.024 0.000 2.072 434 L HA -0.139 4.201 4.340 0.000 0.000 0.205 434 L C 2.881 179.754 176.870 0.006 0.000 1.079 434 L CA 1.098 55.959 54.840 0.034 0.000 0.752 434 L CB -0.619 41.462 42.059 0.036 0.000 0.906 434 L HN 0.205 nan 8.230 nan 0.000 0.436 435 A N -0.449 122.361 122.820 -0.017 0.000 1.902 435 A HA -0.226 4.094 4.320 0.000 0.000 0.217 435 A C 2.099 179.676 177.584 -0.012 0.000 1.181 435 A CA 1.457 53.480 52.037 -0.024 0.000 0.623 435 A CB -0.405 18.567 19.000 -0.046 0.000 0.818 435 A HN 0.513 nan 8.150 nan 0.000 0.443 436 Q N -0.815 118.981 119.800 -0.006 0.000 2.403 436 Q HA 0.050 4.391 4.340 0.000 0.000 0.203 436 Q C -0.604 175.407 176.000 0.019 0.000 0.932 436 Q CA 0.092 55.900 55.803 0.007 0.000 0.945 436 Q CB 0.306 29.056 28.738 0.019 0.000 1.045 436 Q HN 0.490 nan 8.270 nan 0.000 0.511 437 E N 0.851 121.064 120.200 0.021 0.000 2.252 437 E HA -0.213 4.137 4.350 0.000 0.000 0.218 437 E C -0.164 176.460 176.600 0.041 0.000 1.253 437 E CA 0.585 57.003 56.400 0.031 0.000 0.705 437 E CB -1.011 28.703 29.700 0.023 0.000 1.172 437 E HN 0.487 nan 8.360 nan 0.000 0.369 438 Q N -0.720 119.111 119.800 0.050 0.000 2.159 438 Q HA 0.217 4.557 4.340 0.000 0.000 0.217 438 Q C 2.038 178.082 176.000 0.072 0.000 0.818 438 Q CA -0.173 55.669 55.803 0.066 0.000 1.008 438 Q CB 0.486 29.275 28.738 0.085 0.000 1.148 438 Q HN 0.417 nan 8.270 nan 0.000 0.491 439 L N 0.263 121.528 121.223 0.071 0.000 2.079 439 L HA -0.197 4.143 4.340 0.000 0.000 0.210 439 L C 1.179 178.107 176.870 0.095 0.000 1.081 439 L CA 1.415 56.310 54.840 0.091 0.000 0.752 439 L CB -0.034 42.102 42.059 0.128 0.000 0.896 439 L HN 0.109 nan 8.230 nan 0.000 0.433 440 E N -0.426 119.822 120.200 0.081 0.000 2.476 440 E HA 0.022 4.372 4.350 0.000 0.000 0.191 440 E C 0.288 176.929 176.600 0.068 0.000 1.064 440 E CA 0.151 56.595 56.400 0.073 0.000 0.866 440 E CB 0.130 29.867 29.700 0.061 0.000 0.952 440 E HN 0.158 nan 8.360 nan 0.000 0.492 441 K N 1.032 121.475 120.400 0.073 0.000 2.213 441 K HA 0.533 4.854 4.320 0.000 0.000 0.270 441 K C -0.518 176.126 176.600 0.073 0.000 1.002 441 K CA -0.630 55.700 56.287 0.072 0.000 0.868 441 K CB 0.977 33.523 32.500 0.076 0.000 1.093 441 K HN 0.035 nan 8.250 nan 0.000 0.454 442 A N 4.840 127.700 122.820 0.067 0.000 2.498 442 A HA 0.303 4.623 4.320 0.000 0.000 0.239 442 A C -0.533 177.082 177.584 0.052 0.000 1.068 442 A CA -0.071 52.001 52.037 0.058 0.000 0.766 442 A CB 0.098 19.136 19.000 0.063 0.000 1.003 442 A HN 0.757 nan 8.150 nan 0.000 0.497 443 L N 1.738 122.969 121.223 0.014 0.000 2.381 443 L HA 0.352 4.692 4.340 0.000 0.000 0.268 443 L C -0.755 176.079 176.870 -0.060 0.000 0.997 443 L CA -1.066 53.760 54.840 -0.024 0.000 0.818 443 L CB 2.010 44.011 42.059 -0.097 0.000 1.310 443 L HN 0.612 nan 8.230 nan 0.000 0.416 444 D N 1.012 121.385 120.400 -0.045 0.000 2.382 444 D HA 0.255 4.895 4.640 0.000 0.000 0.245 444 D C -0.678 175.533 176.300 -0.148 0.000 1.120 444 D CA 0.139 54.112 54.000 -0.045 0.000 0.890 444 D CB 1.656 42.463 40.800 0.012 0.000 1.201 444 D HN 0.377 nan 8.370 nan 0.000 0.433 445 C N 2.967 122.177 119.300 -0.150 0.000 2.701 445 C HA 0.241 4.701 4.460 0.000 0.000 0.336 445 C C -1.265 173.633 174.990 -0.154 0.000 1.123 445 C CA -0.685 58.206 59.018 -0.212 0.000 1.326 445 C CB 1.208 28.776 27.740 -0.286 0.000 1.833 445 C HN 0.431 nan 8.230 nan 0.000 0.473 446 Q N 4.590 124.307 119.800 -0.139 0.000 2.274 446 Q HA 0.590 4.930 4.340 0.000 0.000 0.256 446 Q C -0.797 175.156 176.000 -0.079 0.000 0.927 446 Q CA 0.183 55.934 55.803 -0.087 0.000 0.939 446 Q CB 1.627 30.328 28.738 -0.061 0.000 1.201 446 Q HN 0.763 nan 8.270 nan 0.000 0.426 447 I N 2.359 122.909 120.570 -0.034 0.000 2.468 447 I HA 0.189 4.359 4.170 0.000 0.000 0.285 447 I C -0.364 175.809 176.117 0.093 0.000 1.039 447 I CA -0.706 60.527 61.300 -0.111 0.000 1.074 447 I CB 1.190 38.913 38.000 -0.461 0.000 1.228 447 I HN 0.688 nan 8.210 nan 0.000 0.436 448 Y N 5.241 125.589 120.300 0.080 0.000 3.305 448 Y HA -0.327 4.223 4.550 0.000 0.000 0.212 448 Y C 1.591 177.487 175.900 -0.006 0.000 1.248 448 Y CA 0.280 58.420 58.100 0.068 0.000 1.359 448 Y CB -1.123 37.390 38.460 0.088 0.000 1.407 448 Y HN 1.049 nan 8.280 nan 0.000 0.572 449 G N -1.434 107.460 108.800 0.158 0.000 2.304 449 G HA2 -0.237 3.723 3.960 0.000 0.000 0.252 449 G HA3 -0.237 3.723 3.960 0.000 0.000 0.252 449 G C 0.267 175.182 174.900 0.024 0.000 1.014 449 G CA 0.054 45.200 45.100 0.077 0.000 0.619 449 G HN 1.386 nan 8.290 nan 0.000 0.525 450 A N -0.517 122.316 122.820 0.021 0.000 2.302 450 A HA 0.635 4.955 4.320 0.000 0.000 0.285 450 A C 0.647 177.992 177.584 -0.398 0.000 1.105 450 A CA 0.487 52.356 52.037 -0.279 0.000 0.816 450 A CB 0.966 19.709 19.000 -0.428 0.000 1.067 450 A HN 1.576 nan 8.150 nan 0.000 0.489 451 C N 2.221 121.188 119.300 -0.555 0.000 2.307 451 C HA 0.766 5.226 4.460 0.000 0.000 0.340 451 C C -1.042 173.482 174.990 -0.777 0.000 1.275 451 C CA -0.526 58.239 59.018 -0.421 0.000 1.811 451 C CB -1.390 26.288 27.740 -0.103 0.000 2.372 451 C HN 0.643 nan 8.230 nan 0.000 0.531 452 Y N 2.914 123.006 120.300 -0.346 0.000 2.446 452 Y HA 0.458 5.008 4.550 0.000 0.000 0.345 452 Y C 0.427 176.170 175.900 -0.261 0.000 0.984 452 Y CA -0.397 57.462 58.100 -0.403 0.000 1.058 452 Y CB 1.819 39.931 38.460 -0.579 0.000 1.220 452 Y HN 0.591 nan 8.280 nan 0.000 0.455 453 S N 3.983 119.652 115.700 -0.051 0.000 2.422 453 S HA 0.656 5.126 4.470 0.000 0.000 0.298 453 S C -0.900 173.719 174.600 0.031 0.000 1.118 453 S CA -0.331 57.879 58.200 0.017 0.000 1.083 453 S CB -0.501 62.737 63.200 0.064 0.000 0.971 453 S HN 0.533 nan 8.310 nan 0.000 0.478 454 I N 3.875 124.447 120.570 0.002 0.000 2.509 454 I HA 0.383 4.553 4.170 0.000 0.000 0.293 454 I C -0.248 175.889 176.117 0.033 0.000 1.020 454 I CA -0.795 60.521 61.300 0.026 0.000 1.088 454 I CB 1.996 39.980 38.000 -0.028 0.000 1.267 454 I HN 0.474 nan 8.210 nan 0.000 0.430 455 E N 7.408 127.650 120.200 0.070 0.000 2.152 455 E HA 0.170 4.520 4.350 0.000 0.000 0.285 455 E C -1.736 174.923 176.600 0.099 0.000 1.043 455 E CA -1.635 54.812 56.400 0.078 0.000 0.839 455 E CB 1.210 30.960 29.700 0.083 0.000 1.069 455 E HN 0.346 nan 8.360 nan 0.000 0.399 456 P HA -0.134 nan 4.420 nan 0.000 0.221 456 P C 1.227 178.677 177.300 0.249 0.000 1.145 456 P CA 0.829 64.016 63.100 0.145 0.000 0.795 456 P CB 0.349 32.100 31.700 0.086 0.000 0.775 457 L N -0.414 120.932 121.223 0.204 0.000 2.465 457 L HA -0.045 4.295 4.340 0.000 0.000 0.224 457 L C 1.386 178.355 176.870 0.165 0.000 1.145 457 L CA 0.995 55.967 54.840 0.219 0.000 0.834 457 L CB -0.603 41.550 42.059 0.158 0.000 0.944 457 L HN -0.111 nan 8.230 nan 0.000 0.451 458 D N -0.467 120.020 120.400 0.146 0.000 2.339 458 D HA 0.022 4.662 4.640 0.000 0.000 0.217 458 D C 2.205 178.585 176.300 0.134 0.000 1.050 458 D CA 0.229 54.295 54.000 0.109 0.000 0.856 458 D CB 0.295 41.151 40.800 0.094 0.000 0.922 458 D HN 0.231 nan 8.370 nan 0.000 0.518 459 L N 0.962 122.305 121.223 0.200 0.000 2.013 459 L HA -0.175 4.165 4.340 0.000 0.000 0.212 459 L C -0.440 176.557 176.870 0.212 0.000 1.073 459 L CA 1.653 56.635 54.840 0.236 0.000 0.753 459 L CB -1.454 40.815 42.059 0.351 0.000 0.890 459 L HN 0.064 nan 8.230 nan 0.000 0.432 460 P HA -0.228 nan 4.420 nan 0.000 0.215 460 P C 1.422 178.816 177.300 0.156 0.000 1.157 460 P CA 1.407 64.554 63.100 0.078 0.000 0.874 460 P CB -0.166 31.397 31.700 -0.228 0.000 0.790 461 Q N -0.586 119.236 119.800 0.036 0.000 2.245 461 Q HA -0.062 4.278 4.340 0.000 0.000 0.201 461 Q C 2.079 178.099 176.000 0.033 0.000 0.955 461 Q CA 1.329 57.145 55.803 0.022 0.000 0.870 461 Q CB -1.156 27.562 28.738 -0.033 0.000 0.945 461 Q HN 0.297 nan 8.270 nan 0.000 0.461 462 I N 0.937 121.543 120.570 0.060 0.000 2.252 462 I HA -0.227 3.943 4.170 0.000 0.000 0.245 462 I C 2.416 178.564 176.117 0.051 0.000 1.102 462 I CA 1.008 62.327 61.300 0.031 0.000 1.385 462 I CB -0.175 37.903 38.000 0.131 0.000 1.064 462 I HN 0.085 nan 8.210 nan 0.000 0.414 463 I N 0.495 121.154 120.570 0.148 0.000 2.315 463 I HA -0.278 3.892 4.170 0.000 0.000 0.248 463 I C 2.595 178.712 176.117 -0.002 0.000 1.117 463 I CA 1.369 62.756 61.300 0.146 0.000 1.404 463 I CB -0.331 37.797 38.000 0.213 0.000 1.071 463 I HN 0.296 nan 8.210 nan 0.000 0.419 464 E N 1.085 121.323 120.200 0.064 0.000 2.072 464 E HA -0.286 4.064 4.350 0.000 0.000 0.191 464 E C 2.298 178.875 176.600 -0.039 0.000 0.985 464 E CA 1.067 57.477 56.400 0.018 0.000 0.801 464 E CB 0.081 29.895 29.700 0.189 0.000 0.750 464 E HN 0.149 nan 8.360 nan 0.000 0.452 465 R N 0.624 121.093 120.500 -0.052 0.000 2.073 465 R HA -0.064 4.276 4.340 0.000 0.000 0.234 465 R C 2.283 178.485 176.300 -0.162 0.000 1.134 465 R CA 1.496 57.534 56.100 -0.103 0.000 0.952 465 R CB -0.588 29.632 30.300 -0.133 0.000 0.850 465 R HN 0.269 nan 8.270 nan 0.000 0.433 466 L N -1.009 120.077 121.223 -0.229 0.000 2.072 466 L HA -0.090 4.250 4.340 0.000 0.000 0.205 466 L C 1.705 178.235 176.870 -0.567 0.000 1.079 466 L CA 1.126 55.705 54.840 -0.434 0.000 0.752 466 L CB -0.337 41.384 42.059 -0.563 0.000 0.906 466 L HN 0.384 nan 8.230 nan 0.000 0.436 467 H N -0.981 118.011 119.070 -0.131 0.000 2.827 467 H HA 0.313 4.869 4.556 0.000 0.000 0.269 467 H C 0.914 176.149 175.328 -0.154 0.000 1.031 467 H CA 0.691 56.651 56.048 -0.146 0.000 1.202 467 H CB 0.752 30.407 29.762 -0.177 0.000 1.511 467 H HN 0.286 nan 8.280 nan 0.000 0.517 468 G N 1.138 109.896 108.800 -0.070 0.000 2.787 468 G HA2 -0.245 3.715 3.960 0.000 0.000 0.685 468 G HA3 -0.245 3.715 3.960 0.000 0.000 0.685 468 G C 0.715 175.539 174.900 -0.127 0.000 1.437 468 G CA -0.158 44.903 45.100 -0.065 0.000 0.872 468 G HN 0.275 nan 8.290 nan 0.000 0.566 469 L N 1.040 122.249 121.223 -0.025 0.000 2.261 469 L HA -0.156 4.184 4.340 0.000 0.000 0.216 469 L C 3.164 180.030 176.870 -0.007 0.000 1.114 469 L CA 2.354 57.233 54.840 0.065 0.000 0.777 469 L CB -0.417 41.747 42.059 0.174 0.000 0.910 469 L HN 0.951 nan 8.230 nan 0.000 0.440 470 S N -0.502 115.166 115.700 -0.055 0.000 2.447 470 S HA -0.124 4.346 4.470 0.000 0.000 0.233 470 S C 2.076 176.598 174.600 -0.132 0.000 1.006 470 S CA 0.702 58.869 58.200 -0.055 0.000 0.957 470 S CB -0.275 62.891 63.200 -0.058 0.000 0.773 470 S HN 0.374 nan 8.310 nan 0.000 0.507 471 A N 0.956 123.604 122.820 -0.285 0.000 2.070 471 A HA 0.148 4.469 4.320 0.000 0.000 0.220 471 A C 1.653 179.076 177.584 -0.269 0.000 1.159 471 A CA 0.954 52.768 52.037 -0.373 0.000 0.656 471 A CB -0.968 17.726 19.000 -0.511 0.000 0.800 471 A HN 0.679 nan 8.150 nan 0.000 0.453 472 F N -0.081 119.895 119.950 0.044 0.000 2.797 472 F HA 0.062 4.589 4.527 0.000 0.000 0.302 472 F C 1.436 177.284 175.800 0.080 0.000 1.130 472 F CA 0.504 58.551 58.000 0.077 0.000 1.387 472 F CB 0.414 39.483 39.000 0.116 0.000 1.107 472 F HN 0.257 nan 8.300 nan 0.000 0.577 473 S N -0.739 115.067 115.700 0.177 0.000 3.082 473 S HA 0.307 4.777 4.470 0.000 0.000 0.253 473 S C -0.120 174.557 174.600 0.129 0.000 0.961 473 S CA -0.470 57.821 58.200 0.151 0.000 1.129 473 S CB -0.675 62.597 63.200 0.121 0.000 1.083 473 S HN 0.048 nan 8.310 nan 0.000 0.605 474 L N 3.333 124.574 121.223 0.029 0.000 2.456 474 L HA 0.453 4.793 4.340 0.000 0.000 0.272 474 L C 0.584 177.433 176.870 -0.034 0.000 1.189 474 L CA 0.156 54.921 54.840 -0.125 0.000 0.846 474 L CB 0.134 41.961 42.059 -0.386 0.000 1.111 474 L HN 0.669 nan 8.230 nan 0.000 0.475 475 H N -0.742 118.157 119.070 -0.286 0.000 2.933 475 H HA 0.327 4.883 4.556 0.000 0.000 0.310 475 H C -0.070 175.144 175.328 -0.190 0.000 1.351 475 H CA -0.603 55.365 56.048 -0.134 0.000 1.137 475 H CB 1.262 31.035 29.762 0.019 0.000 1.853 475 H HN 0.387 nan 8.280 nan 0.000 0.539 476 S N -0.049 115.595 115.700 -0.094 0.000 3.697 476 S HA -0.218 4.252 4.470 0.000 0.000 0.388 476 S C -0.867 173.700 174.600 -0.056 0.000 0.941 476 S CA 0.161 58.293 58.200 -0.114 0.000 1.247 476 S CB -2.017 60.957 63.200 -0.377 0.000 0.904 476 S HN 0.549 nan 8.310 nan 0.000 0.518 477 Y N 2.125 122.439 120.300 0.023 0.000 2.357 477 Y HA 0.358 4.908 4.550 0.000 0.000 0.340 477 Y C 1.331 177.273 175.900 0.069 0.000 1.260 477 Y CA 0.471 58.605 58.100 0.057 0.000 1.425 477 Y CB 0.471 38.962 38.460 0.052 0.000 1.326 477 Y HN 0.564 nan 8.280 nan 0.000 0.580 478 S N 1.567 117.413 115.700 0.243 0.000 2.572 478 S HA 0.097 4.567 4.470 0.000 0.000 0.279 478 S C -2.055 172.623 174.600 0.130 0.000 1.341 478 S CA -1.066 57.221 58.200 0.146 0.000 1.043 478 S CB 1.145 64.411 63.200 0.109 0.000 0.887 478 S HN 0.446 nan 8.310 nan 0.000 0.516 479 P HA 0.015 nan 4.420 nan 0.000 0.216 479 P C 1.719 179.055 177.300 0.060 0.000 1.150 479 P CA 1.518 64.660 63.100 0.070 0.000 0.837 479 P CB -0.387 31.344 31.700 0.053 0.000 0.786 480 G N 0.099 108.932 108.800 0.055 0.000 2.421 480 G HA2 -0.280 3.680 3.960 0.000 0.000 0.216 480 G HA3 -0.280 3.680 3.960 0.000 0.000 0.216 480 G C 1.661 176.588 174.900 0.045 0.000 1.171 480 G CA 0.918 46.042 45.100 0.040 0.000 0.775 480 G HN 0.254 nan 8.290 nan 0.000 0.543 481 E N 0.776 121.021 120.200 0.075 0.000 2.051 481 E HA -0.084 4.266 4.350 0.000 0.000 0.192 481 E C 2.434 179.076 176.600 0.071 0.000 0.991 481 E CA 0.918 57.374 56.400 0.093 0.000 0.799 481 E CB -0.445 29.366 29.700 0.185 0.000 0.748 481 E HN 0.504 nan 8.360 nan 0.000 0.449 482 I N 0.765 121.382 120.570 0.077 0.000 2.208 482 I HA -0.300 3.870 4.170 0.000 0.000 0.245 482 I C 1.928 178.064 176.117 0.031 0.000 1.097 482 I CA 1.190 62.518 61.300 0.048 0.000 1.363 482 I CB -0.482 37.559 38.000 0.068 0.000 1.051 482 I HN 0.174 nan 8.210 nan 0.000 0.413 483 N N 0.760 119.480 118.700 0.033 0.000 2.120 483 N HA -0.198 4.542 4.740 0.000 0.000 0.188 483 N C 1.889 177.402 175.510 0.005 0.000 1.024 483 N CA 1.153 54.216 53.050 0.021 0.000 0.852 483 N CB -0.456 38.045 38.487 0.022 0.000 1.003 483 N HN 0.335 nan 8.380 nan 0.000 0.424 484 R N 0.894 121.392 120.500 -0.003 0.000 2.081 484 R HA -0.056 4.284 4.340 0.000 0.000 0.235 484 R C 1.873 178.138 176.300 -0.057 0.000 1.131 484 R CA 1.061 57.141 56.100 -0.032 0.000 0.960 484 R CB -0.171 30.103 30.300 -0.043 0.000 0.856 484 R HN -0.028 nan 8.270 nan 0.000 0.436 485 V N 1.029 120.914 119.914 -0.048 0.000 2.237 485 V HA -0.229 3.891 4.120 0.000 0.000 0.245 485 V C 2.511 178.585 176.094 -0.033 0.000 1.046 485 V CA 1.976 64.237 62.300 -0.066 0.000 1.007 485 V CB -0.912 30.900 31.823 -0.019 0.000 0.638 485 V HN 0.576 nan 8.190 nan 0.000 0.445 486 A N -0.620 122.199 122.820 -0.002 0.000 1.917 486 A HA -0.294 4.026 4.320 0.000 0.000 0.219 486 A C 2.564 180.157 177.584 0.014 0.000 1.182 486 A CA 2.551 54.600 52.037 0.019 0.000 0.633 486 A CB -0.912 18.105 19.000 0.029 0.000 0.819 486 A HN 0.491 nan 8.150 nan 0.000 0.448 487 S N -1.427 114.274 115.700 0.002 0.000 2.368 487 S HA -0.205 4.265 4.470 0.000 0.000 0.225 487 S C 2.103 176.702 174.600 -0.002 0.000 1.030 487 S CA 1.549 59.751 58.200 0.003 0.000 0.999 487 S CB -0.925 62.273 63.200 -0.003 0.000 0.844 487 S HN 0.805 nan 8.310 nan 0.000 0.459 488 C N 1.544 120.826 119.300 -0.030 0.000 2.429 488 C HA 0.043 4.503 4.460 0.000 0.000 0.277 488 C C 2.493 177.472 174.990 -0.018 0.000 1.262 488 C CA 0.855 59.846 59.018 -0.045 0.000 1.733 488 C CB -1.728 25.943 27.740 -0.115 0.000 2.010 488 C HN 0.671 nan 8.230 nan 0.000 0.483 489 L N 0.352 121.570 121.223 -0.009 0.000 2.083 489 L HA -0.128 4.212 4.340 0.000 0.000 0.209 489 L C 2.993 179.879 176.870 0.026 0.000 1.083 489 L CA 1.959 56.812 54.840 0.021 0.000 0.752 489 L CB -0.947 41.148 42.059 0.061 0.000 0.899 489 L HN 0.405 nan 8.230 nan 0.000 0.433 490 R N 0.742 121.264 120.500 0.037 0.000 2.075 490 R HA -0.191 4.149 4.340 0.000 0.000 0.232 490 R C 2.419 178.779 176.300 0.100 0.000 1.126 490 R CA 1.484 57.617 56.100 0.055 0.000 0.963 490 R CB -0.032 30.300 30.300 0.054 0.000 0.858 490 R HN 0.211 nan 8.270 nan 0.000 0.435 491 K N 0.411 120.864 120.400 0.089 0.000 2.057 491 K HA -0.111 4.209 4.320 0.000 0.000 0.207 491 K C 1.842 178.583 176.600 0.235 0.000 1.049 491 K CA 1.291 57.657 56.287 0.132 0.000 0.931 491 K CB -0.010 32.531 32.500 0.068 0.000 0.714 491 K HN 0.222 nan 8.250 nan 0.000 0.440 492 L N -0.331 120.959 121.223 0.112 0.000 2.492 492 L HA 0.108 4.448 4.340 0.000 0.000 0.223 492 L C 0.999 177.745 176.870 -0.207 0.000 1.132 492 L CA 0.525 55.411 54.840 0.076 0.000 0.850 492 L CB 0.027 42.103 42.059 0.028 0.000 0.966 492 L HN 0.585 nan 8.230 nan 0.000 0.454 493 G N 0.746 109.301 108.800 -0.408 0.000 2.182 493 G HA2 -0.226 3.734 3.960 0.000 0.000 0.248 493 G HA3 -0.226 3.734 3.960 0.000 0.000 0.248 493 G C -0.030 174.737 174.900 -0.222 0.000 1.042 493 G CA -0.007 44.691 45.100 -0.670 0.000 0.775 493 G HN 0.098 nan 8.290 nan 0.000 0.501 494 V N 1.055 120.936 119.914 -0.056 0.000 2.465 494 V HA 0.407 4.527 4.120 0.000 0.000 0.279 494 V C -1.220 174.971 176.094 0.161 0.000 1.045 494 V CA -1.596 60.767 62.300 0.105 0.000 0.938 494 V CB 1.537 33.442 31.823 0.137 0.000 0.986 494 V HN 0.155 nan 8.190 nan 0.000 0.467 495 P HA 0.062 nan 4.420 nan 0.000 0.266 495 P C -2.415 175.024 177.300 0.231 0.000 1.186 495 P CA -0.564 62.579 63.100 0.073 0.000 0.767 495 P CB -0.192 31.383 31.700 -0.207 0.000 0.820 496 P HA 0.021 nan 4.420 nan 0.000 0.270 496 P C 0.994 178.479 177.300 0.308 0.000 1.223 496 P CA 0.086 63.294 63.100 0.180 0.000 0.785 496 P CB 0.702 32.461 31.700 0.097 0.000 0.923 497 L N 0.719 122.123 121.223 0.302 0.000 2.051 497 L HA -0.233 4.107 4.340 0.000 0.000 0.214 497 L C 2.836 179.905 176.870 0.332 0.000 1.076 497 L CA 1.793 56.839 54.840 0.343 0.000 0.758 497 L CB -0.791 41.364 42.059 0.160 0.000 0.890 497 L HN 0.540 nan 8.230 nan 0.000 0.433 498 R N 1.019 121.646 120.500 0.212 0.000 2.127 498 R HA -0.195 4.145 4.340 0.000 0.000 0.238 498 R C 1.983 178.375 176.300 0.152 0.000 1.134 498 R CA 1.738 57.941 56.100 0.172 0.000 0.975 498 R CB -0.276 30.089 30.300 0.107 0.000 0.865 498 R HN 0.373 nan 8.270 nan 0.000 0.447 499 A N -0.427 122.445 122.820 0.088 0.000 2.067 499 A HA -0.064 4.256 4.320 0.000 0.000 0.217 499 A C 1.563 179.098 177.584 -0.081 0.000 1.156 499 A CA 0.510 52.514 52.037 -0.055 0.000 0.683 499 A CB -0.696 18.182 19.000 -0.204 0.000 0.808 499 A HN 0.527 nan 8.150 nan 0.000 0.455 500 W N -0.214 121.199 121.300 0.188 0.000 2.678 500 W HA 0.116 4.776 4.660 0.000 0.000 0.256 500 W C 2.379 179.110 176.519 0.352 0.000 1.280 500 W CA 0.507 58.004 57.345 0.253 0.000 1.345 500 W CB 0.030 29.641 29.460 0.252 0.000 1.118 500 W HN 0.213 nan 8.180 nan 0.000 0.629 501 R N -0.637 120.167 120.500 0.506 0.000 2.066 501 R HA -0.182 4.158 4.340 0.000 0.000 0.232 501 R C 1.926 178.339 176.300 0.188 0.000 1.131 501 R CA 1.833 58.173 56.100 0.400 0.000 0.955 501 R CB -0.726 29.781 30.300 0.344 0.000 0.851 501 R HN 0.233 nan 8.270 nan 0.000 0.432 502 H N 0.913 120.026 119.070 0.072 0.000 2.290 502 H HA -0.072 4.484 4.556 0.000 0.000 0.298 502 H C 1.998 177.310 175.328 -0.028 0.000 1.087 502 H CA 1.980 58.025 56.048 -0.006 0.000 1.291 502 H CB 0.121 29.863 29.762 -0.032 0.000 1.369 502 H HN 0.027 nan 8.280 nan 0.000 0.492 503 R N -0.201 120.286 120.500 -0.021 0.000 2.081 503 R HA -0.066 4.274 4.340 0.000 0.000 0.235 503 R C 2.579 178.828 176.300 -0.085 0.000 1.131 503 R CA 1.076 57.127 56.100 -0.082 0.000 0.960 503 R CB -0.365 29.936 30.300 0.002 0.000 0.856 503 R HN 0.401 nan 8.270 nan 0.000 0.436 504 A N 1.332 124.164 122.820 0.020 0.000 1.969 504 A HA -0.148 4.172 4.320 0.000 0.000 0.218 504 A C 2.075 179.436 177.584 -0.373 0.000 1.169 504 A CA 1.095 53.043 52.037 -0.149 0.000 0.635 504 A CB -0.306 18.717 19.000 0.037 0.000 0.810 504 A HN 0.218 nan 8.150 nan 0.000 0.445 505 R N -0.314 120.018 120.500 -0.281 0.000 2.096 505 R HA -0.128 4.212 4.340 0.000 0.000 0.235 505 R C 1.829 177.959 176.300 -0.284 0.000 1.127 505 R CA 1.716 57.650 56.100 -0.277 0.000 0.968 505 R CB -0.385 29.793 30.300 -0.203 0.000 0.861 505 R HN 0.625 nan 8.270 nan 0.000 0.440 506 N N -0.239 118.280 118.700 -0.302 0.000 2.171 506 N HA -0.097 4.643 4.740 0.000 0.000 0.184 506 N C 1.659 177.022 175.510 -0.246 0.000 1.021 506 N CA 0.882 53.775 53.050 -0.261 0.000 0.854 506 N CB -0.024 38.299 38.487 -0.274 0.000 0.994 506 N HN -0.070 nan 8.380 nan 0.000 0.426 507 V N 1.067 120.798 119.914 -0.305 0.000 2.358 507 V HA -0.192 3.928 4.120 0.000 0.000 0.246 507 V C 2.380 178.228 176.094 -0.410 0.000 1.047 507 V CA 1.481 63.580 62.300 -0.334 0.000 1.035 507 V CB -0.476 31.089 31.823 -0.429 0.000 0.658 507 V HN 0.304 nan 8.190 nan 0.000 0.452 508 R N 0.342 120.511 120.500 -0.551 0.000 2.081 508 R HA -0.175 4.165 4.340 0.000 0.000 0.235 508 R C 2.299 178.472 176.300 -0.212 0.000 1.131 508 R CA 1.748 57.604 56.100 -0.408 0.000 0.960 508 R CB -0.457 29.628 30.300 -0.358 0.000 0.856 508 R HN 0.472 nan 8.270 nan 0.000 0.436 509 A N 1.247 123.950 122.820 -0.194 0.000 1.877 509 A HA -0.178 4.142 4.320 0.000 0.000 0.216 509 A C 2.198 179.723 177.584 -0.098 0.000 1.186 509 A CA 1.567 53.527 52.037 -0.129 0.000 0.620 509 A CB -0.469 18.455 19.000 -0.126 0.000 0.822 509 A HN 0.397 nan 8.150 nan 0.000 0.443 510 R N -0.532 119.905 120.500 -0.105 0.000 2.081 510 R HA -0.052 4.288 4.340 0.000 0.000 0.235 510 R C 2.073 178.350 176.300 -0.037 0.000 1.131 510 R CA 1.488 57.549 56.100 -0.065 0.000 0.960 510 R CB -0.576 29.686 30.300 -0.063 0.000 0.856 510 R HN 0.500 nan 8.270 nan 0.000 0.436 511 L N 0.613 121.808 121.223 -0.047 0.000 2.046 511 L HA -0.183 4.157 4.340 0.000 0.000 0.208 511 L C 2.385 179.253 176.870 -0.003 0.000 1.077 511 L CA 1.156 55.995 54.840 -0.001 0.000 0.747 511 L CB -0.405 41.649 42.059 -0.008 0.000 0.896 511 L HN 0.205 nan 8.230 nan 0.000 0.432 512 L N -0.454 120.752 121.223 -0.029 0.000 2.083 512 L HA -0.186 4.154 4.340 0.000 0.000 0.209 512 L C 2.838 179.699 176.870 -0.014 0.000 1.083 512 L CA 1.517 56.344 54.840 -0.022 0.000 0.752 512 L CB -0.606 41.429 42.059 -0.040 0.000 0.899 512 L HN 0.404 nan 8.230 nan 0.000 0.433 513 S N -0.261 115.427 115.700 -0.020 0.000 2.442 513 S HA -0.161 4.309 4.470 0.000 0.000 0.236 513 S C 1.912 176.511 174.600 -0.002 0.000 1.007 513 S CA 0.681 58.872 58.200 -0.015 0.000 0.965 513 S CB -0.339 62.848 63.200 -0.021 0.000 0.773 513 S HN 0.426 nan 8.310 nan 0.000 0.504 514 R N 1.213 121.717 120.500 0.007 0.000 2.276 514 R HA 0.291 4.631 4.340 0.000 0.000 0.196 514 R C 1.625 177.938 176.300 0.021 0.000 0.961 514 R CA 0.301 56.413 56.100 0.019 0.000 1.024 514 R CB -0.639 29.681 30.300 0.034 0.000 0.940 514 R HN 0.542 nan 8.270 nan 0.000 0.480 515 G N 0.552 109.362 108.800 0.017 0.000 2.622 515 G HA2 -0.202 3.758 3.960 0.000 0.000 0.272 515 G HA3 -0.202 3.758 3.960 0.000 0.000 0.272 515 G C 0.537 175.454 174.900 0.029 0.000 1.308 515 G CA -0.182 44.929 45.100 0.019 0.000 0.919 515 G HN 0.625 nan 8.290 nan 0.000 0.565 516 G N -1.208 107.608 108.800 0.027 0.000 2.574 516 G HA2 -0.246 3.714 3.960 0.000 0.000 0.282 516 G HA3 -0.246 3.714 3.960 0.000 0.000 0.282 516 G C 1.093 176.015 174.900 0.036 0.000 1.257 516 G CA 1.454 46.572 45.100 0.030 0.000 0.956 516 G HN 1.464 nan 8.290 nan 0.000 0.560 517 R N 0.236 120.762 120.500 0.043 0.000 2.096 517 R HA 0.099 4.439 4.340 0.000 0.000 0.235 517 R C 3.230 179.575 176.300 0.075 0.000 1.127 517 R CA 1.983 58.114 56.100 0.051 0.000 0.968 517 R CB -0.559 29.778 30.300 0.062 0.000 0.861 517 R HN 0.705 nan 8.270 nan 0.000 0.440 518 A N 1.356 124.230 122.820 0.090 0.000 1.902 518 A HA -0.135 4.185 4.320 0.000 0.000 0.217 518 A C 2.385 180.013 177.584 0.074 0.000 1.181 518 A CA 1.722 53.828 52.037 0.116 0.000 0.623 518 A CB -0.660 18.406 19.000 0.110 0.000 0.818 518 A HN 0.397 nan 8.150 nan 0.000 0.443 519 A N -0.092 122.758 122.820 0.051 0.000 1.933 519 A HA -0.069 4.251 4.320 0.000 0.000 0.218 519 A C 2.089 179.701 177.584 0.048 0.000 1.175 519 A CA 1.456 53.515 52.037 0.036 0.000 0.628 519 A CB -0.603 18.413 19.000 0.027 0.000 0.814 519 A HN 0.507 nan 8.150 nan 0.000 0.444 520 I N -0.604 119.995 120.570 0.049 0.000 2.286 520 I HA -0.329 3.841 4.170 0.000 0.000 0.248 520 I C 2.407 178.549 176.117 0.043 0.000 1.115 520 I CA 1.019 62.353 61.300 0.055 0.000 1.392 520 I CB -0.456 37.523 38.000 -0.035 0.000 1.065 520 I HN 0.387 nan 8.210 nan 0.000 0.418 521 C N 0.722 120.028 119.300 0.010 0.000 2.446 521 C HA -0.065 4.395 4.460 0.000 0.000 0.277 521 C C 3.001 177.987 174.990 -0.006 0.000 1.275 521 C CA 1.009 59.992 59.018 -0.060 0.000 1.727 521 C CB -1.665 26.010 27.740 -0.108 0.000 2.010 521 C HN 0.654 nan 8.230 nan 0.000 0.486 522 G N 0.292 109.122 108.800 0.050 0.000 2.422 522 G HA2 -0.269 3.691 3.960 0.000 0.000 0.218 522 G HA3 -0.269 3.691 3.960 0.000 0.000 0.218 522 G C 1.642 176.588 174.900 0.076 0.000 1.146 522 G CA 1.164 46.325 45.100 0.102 0.000 0.769 522 G HN 0.646 nan 8.290 nan 0.000 0.547 523 K N -0.854 119.568 120.400 0.036 0.000 2.001 523 K HA -0.066 4.254 4.320 0.000 0.000 0.208 523 K C 2.231 178.736 176.600 -0.157 0.000 1.048 523 K CA 1.123 57.383 56.287 -0.044 0.000 0.932 523 K CB -0.276 32.218 32.500 -0.010 0.000 0.715 523 K HN 0.362 nan 8.250 nan 0.000 0.437 524 Y N 0.916 121.042 120.300 -0.289 0.000 2.231 524 Y HA -0.002 4.548 4.550 0.000 0.000 0.294 524 Y C 2.033 177.634 175.900 -0.499 0.000 1.120 524 Y CA 0.843 58.604 58.100 -0.566 0.000 1.141 524 Y CB -0.142 37.711 38.460 -1.012 0.000 1.022 524 Y HN -0.032 nan 8.280 nan 0.000 0.523 525 L N -1.799 119.274 121.223 -0.251 0.000 2.291 525 L HA -0.107 4.233 4.340 0.000 0.000 0.214 525 L C 0.564 177.114 176.870 -0.534 0.000 1.120 525 L CA 1.216 55.841 54.840 -0.357 0.000 0.799 525 L CB -0.330 41.338 42.059 -0.652 0.000 0.925 525 L HN 0.174 nan 8.230 nan 0.000 0.446 526 F N -1.838 118.058 119.950 -0.091 0.000 2.764 526 F HA 0.202 4.729 4.527 0.000 0.000 0.310 526 F C 1.522 177.012 175.800 -0.516 0.000 1.124 526 F CA -0.359 57.397 58.000 -0.406 0.000 1.252 526 F CB -0.260 38.504 39.000 -0.392 0.000 1.010 526 F HN -0.104 nan 8.300 nan 0.000 0.518 527 N N 1.129 119.745 118.700 -0.140 0.000 2.364 527 N HA -0.174 4.566 4.740 0.000 0.000 0.183 527 N C 1.863 177.333 175.510 -0.067 0.000 1.022 527 N CA 1.359 54.344 53.050 -0.109 0.000 0.883 527 N CB -0.129 38.315 38.487 -0.072 0.000 0.965 527 N HN 0.565 nan 8.380 nan 0.000 0.438 528 W N -0.620 120.720 121.300 0.066 0.000 2.595 528 W HA 0.226 4.886 4.660 0.000 0.000 0.257 528 W C 1.175 177.753 176.519 0.098 0.000 1.267 528 W CA 0.564 57.956 57.345 0.078 0.000 1.300 528 W CB -0.734 28.783 29.460 0.095 0.000 1.120 528 W HN 0.023 nan 8.180 nan 0.000 0.618 529 A N 1.550 123.940 122.820 -0.717 0.000 2.123 529 A HA 0.198 4.518 4.320 0.000 0.000 0.214 529 A C 1.011 178.463 177.584 -0.220 0.000 1.152 529 A CA 1.047 52.712 52.037 -0.621 0.000 0.728 529 A CB -0.765 17.632 19.000 -1.006 0.000 0.814 529 A HN 0.131 nan 8.150 nan 0.000 0.464 530 V N -3.232 116.582 119.914 -0.168 0.000 2.547 530 V HA 0.440 4.560 4.120 0.000 0.000 0.299 530 V C 0.629 176.698 176.094 -0.042 0.000 1.040 530 V CA -0.839 61.404 62.300 -0.094 0.000 0.913 530 V CB 1.514 33.273 31.823 -0.106 0.000 0.992 530 V HN 0.315 nan 8.190 nan 0.000 0.449 531 K N 1.516 121.901 120.400 -0.025 0.000 2.097 531 K HA 0.005 4.325 4.320 0.000 0.000 0.205 531 K C 0.679 177.264 176.600 -0.024 0.000 1.050 531 K CA 1.540 57.820 56.287 -0.012 0.000 0.938 531 K CB -0.164 32.332 32.500 -0.005 0.000 0.718 531 K HN 0.800 nan 8.250 nan 0.000 0.442 532 T N 2.854 117.387 114.554 -0.034 0.000 3.162 532 T HA 0.180 4.530 4.350 0.000 0.000 0.316 532 T C -0.361 174.309 174.700 -0.050 0.000 1.182 532 T CA -0.400 61.677 62.100 -0.038 0.000 1.015 532 T CB 0.419 69.264 68.868 -0.037 0.000 1.089 532 T HN -0.064 nan 8.240 nan 0.000 0.646 533 K N 2.199 122.570 120.400 -0.049 0.000 2.336 533 K HA 0.367 4.687 4.320 0.000 0.000 0.262 533 K C 0.049 176.605 176.600 -0.073 0.000 0.992 533 K CA -0.090 56.160 56.287 -0.061 0.000 0.927 533 K CB 0.363 32.833 32.500 -0.050 0.000 0.956 533 K HN 0.450 nan 8.250 nan 0.000 0.495 534 L N 1.573 122.736 121.223 -0.100 0.000 2.325 534 L HA 0.370 4.710 4.340 0.000 0.000 0.278 534 L C 0.255 177.044 176.870 -0.135 0.000 1.023 534 L CA -1.020 53.751 54.840 -0.115 0.000 0.811 534 L CB 1.569 43.542 42.059 -0.143 0.000 1.249 534 L HN 0.501 nan 8.230 nan 0.000 0.431 535 K N 3.457 123.793 120.400 -0.107 0.000 2.382 535 K HA 0.206 4.526 4.320 0.000 0.000 0.286 535 K C -0.791 175.716 176.600 -0.156 0.000 1.062 535 K CA -0.197 56.033 56.287 -0.095 0.000 1.000 535 K CB 0.196 32.665 32.500 -0.053 0.000 0.954 535 K HN 0.507 nan 8.250 nan 0.000 0.470 536 L N 6.067 127.179 121.223 -0.185 0.000 2.302 536 L HA 0.141 4.481 4.340 0.000 0.000 0.285 536 L C 0.676 177.536 176.870 -0.016 0.000 1.090 536 L CA -0.681 53.974 54.840 -0.309 0.000 0.866 536 L CB 0.365 42.206 42.059 -0.363 0.000 1.244 536 L HN 0.730 nan 8.230 nan 0.000 0.435 537 T N 0.571 115.163 114.554 0.063 0.000 2.899 537 T HA 0.429 4.779 4.350 0.000 0.000 0.284 537 T C -2.436 172.410 174.700 0.242 0.000 1.004 537 T CA -2.061 60.119 62.100 0.134 0.000 1.043 537 T CB 1.035 69.960 68.868 0.094 0.000 1.013 537 T HN 0.163 nan 8.240 nan 0.000 0.518 538 P HA 0.169 nan 4.420 nan 0.000 0.262 538 P C -0.368 176.995 177.300 0.106 0.000 1.182 538 P CA 0.018 63.206 63.100 0.146 0.000 0.761 538 P CB 0.081 31.833 31.700 0.087 0.000 0.795 539 I N 2.480 123.080 120.570 0.050 0.000 2.496 539 I HA 0.043 4.213 4.170 0.000 0.000 0.285 539 I C 1.652 177.754 176.117 -0.024 0.000 1.080 539 I CA -0.113 61.154 61.300 -0.055 0.000 1.404 539 I CB 1.045 38.919 38.000 -0.209 0.000 1.403 539 I HN 0.433 nan 8.210 nan 0.000 0.539 540 A N 5.859 128.667 122.820 -0.020 0.000 1.917 540 A HA -0.223 4.097 4.320 0.000 0.000 0.219 540 A C 2.379 179.949 177.584 -0.024 0.000 1.182 540 A CA 2.089 54.117 52.037 -0.014 0.000 0.633 540 A CB -0.635 18.360 19.000 -0.009 0.000 0.819 540 A HN 0.880 nan 8.150 nan 0.000 0.448 541 A N -0.430 122.368 122.820 -0.036 0.000 2.019 541 A HA 0.206 4.527 4.320 0.000 0.000 0.219 541 A C 2.429 179.986 177.584 -0.044 0.000 1.164 541 A CA 1.868 53.882 52.037 -0.038 0.000 0.644 541 A CB -0.868 18.109 19.000 -0.040 0.000 0.805 541 A HN 1.037 nan 8.150 nan 0.000 0.449 542 A N -0.216 122.579 122.820 -0.041 0.000 1.865 542 A HA 0.077 4.397 4.320 0.000 0.000 0.217 542 A C 2.389 179.945 177.584 -0.047 0.000 1.191 542 A CA 1.858 53.871 52.037 -0.040 0.000 0.623 542 A CB -1.464 17.528 19.000 -0.013 0.000 0.826 542 A HN 0.830 nan 8.150 nan 0.000 0.444 543 G N -1.310 107.471 108.800 -0.032 0.000 2.535 543 G HA2 -0.118 3.842 3.960 0.000 0.000 0.218 543 G HA3 -0.118 3.842 3.960 0.000 0.000 0.218 543 G C 1.509 176.385 174.900 -0.041 0.000 1.122 543 G CA 0.681 45.762 45.100 -0.032 0.000 0.769 543 G HN 0.569 nan 8.290 nan 0.000 0.549 544 R N -0.951 119.521 120.500 -0.047 0.000 2.362 544 R HA 0.323 4.663 4.340 0.000 0.000 0.227 544 R C 0.141 176.397 176.300 -0.072 0.000 0.905 544 R CA -0.337 55.733 56.100 -0.050 0.000 1.067 544 R CB 0.298 30.575 30.300 -0.039 0.000 1.078 544 R HN 0.234 nan 8.270 nan 0.000 0.516 545 L N 1.957 123.124 121.223 -0.094 0.000 2.313 545 L HA 0.135 4.475 4.340 0.000 0.000 0.282 545 L C -0.456 176.309 176.870 -0.176 0.000 1.092 545 L CA -0.296 54.458 54.840 -0.143 0.000 0.831 545 L CB 0.831 42.789 42.059 -0.168 0.000 1.159 545 L HN -0.096 nan 8.230 nan 0.000 0.442 546 D N 4.555 124.837 120.400 -0.198 0.000 2.427 546 D HA 0.284 4.924 4.640 0.000 0.000 0.226 546 D C 0.266 176.356 176.300 -0.351 0.000 1.076 546 D CA -0.199 53.678 54.000 -0.204 0.000 0.849 546 D CB 1.046 41.764 40.800 -0.137 0.000 1.052 546 D HN 0.348 nan 8.370 nan 0.000 0.515 547 L N 2.619 123.591 121.223 -0.418 0.000 2.857 547 L HA 0.089 4.429 4.340 0.000 0.000 0.249 547 L C 2.040 178.717 176.870 -0.322 0.000 1.172 547 L CA -0.103 54.293 54.840 -0.739 0.000 0.980 547 L CB 0.093 41.635 42.059 -0.863 0.000 1.299 547 L HN 0.311 nan 8.230 nan 0.000 0.535 548 S N -0.313 115.310 115.700 -0.129 0.000 2.400 548 S HA -0.217 4.253 4.470 0.000 0.000 0.232 548 S C 2.149 176.793 174.600 0.073 0.000 1.025 548 S CA 1.483 59.703 58.200 0.034 0.000 0.993 548 S CB -0.483 62.722 63.200 0.007 0.000 0.808 548 S HN 0.563 nan 8.310 nan 0.000 0.478 549 S N -0.260 115.444 115.700 0.006 0.000 2.481 549 S HA -0.019 4.451 4.470 0.000 0.000 0.231 549 S C 1.348 176.059 174.600 0.185 0.000 0.996 549 S CA 0.404 58.655 58.200 0.085 0.000 0.942 549 S CB -0.818 62.403 63.200 0.034 0.000 0.768 549 S HN 0.684 nan 8.310 nan 0.000 0.520 550 W N 1.492 122.584 121.300 -0.346 0.000 2.467 550 W HA 0.301 4.961 4.660 0.000 0.000 0.275 550 W C 0.116 176.095 176.519 -0.899 0.000 1.239 550 W CA -0.470 56.369 57.345 -0.844 0.000 1.266 550 W CB -0.788 27.789 29.460 -1.473 0.000 1.112 550 W HN 0.292 nan 8.180 nan 0.000 0.576 551 F N -0.387 119.719 119.950 0.261 0.000 2.523 551 F HA 0.304 4.831 4.527 0.000 0.000 0.322 551 F C 0.873 176.829 175.800 0.260 0.000 1.361 551 F CA -0.188 57.993 58.000 0.302 0.000 1.151 551 F CB 0.219 39.338 39.000 0.199 0.000 1.391 551 F HN -0.397 nan 8.300 nan 0.000 0.566 552 T N -0.371 114.405 114.554 0.370 0.000 3.098 552 T HA 0.597 4.947 4.350 0.000 0.000 0.246 552 T C 0.588 175.442 174.700 0.256 0.000 0.983 552 T CA 0.446 62.700 62.100 0.257 0.000 1.094 552 T CB 0.532 69.523 68.868 0.205 0.000 1.035 552 T HN 0.314 nan 8.240 nan 0.000 0.456 553 A N 0.339 123.273 122.820 0.190 0.000 2.594 553 A HA 0.769 5.089 4.320 0.000 0.000 0.291 553 A C -0.402 176.831 177.584 -0.585 0.000 1.105 553 A CA -0.416 51.572 52.037 -0.081 0.000 0.694 553 A CB 0.942 19.756 19.000 -0.311 0.000 1.291 553 A HN 0.330 nan 8.150 nan 0.000 0.410 554 G N -1.282 106.848 108.800 -1.116 0.000 2.367 554 G HA2 0.542 4.502 3.960 0.000 0.000 0.314 554 G HA3 0.542 4.502 3.960 0.000 0.000 0.314 554 G C -0.828 173.385 174.900 -1.146 0.000 1.130 554 G CA -0.092 44.031 45.100 -1.629 0.000 0.864 554 G HN 0.624 nan 8.290 nan 0.000 0.486 555 Y N 0.419 120.502 120.300 -0.361 0.000 2.779 555 Y HA 0.242 4.792 4.550 0.000 0.000 0.251 555 Y C 1.267 177.089 175.900 -0.130 0.000 1.145 555 Y CA -0.695 57.292 58.100 -0.188 0.000 1.201 555 Y CB 0.451 38.833 38.460 -0.129 0.000 1.281 555 Y HN 0.388 nan 8.280 nan 0.000 0.563 556 S N 1.170 116.850 115.700 -0.034 0.000 2.673 556 S HA 0.224 4.694 4.470 0.000 0.000 0.308 556 S C 1.384 176.006 174.600 0.036 0.000 1.246 556 S CA 1.379 59.589 58.200 0.016 0.000 1.077 556 S CB 0.082 63.298 63.200 0.026 0.000 0.814 556 S HN 0.939 nan 8.310 nan 0.000 0.503 557 G N 3.037 111.860 108.800 0.038 0.000 2.184 557 G HA2 -0.265 3.695 3.960 0.000 0.000 0.264 557 G HA3 -0.265 3.695 3.960 0.000 0.000 0.264 557 G C 0.820 175.749 174.900 0.049 0.000 0.975 557 G CA 0.308 45.436 45.100 0.046 0.000 0.642 557 G HN 1.071 nan 8.290 nan 0.000 0.536 558 G N -0.061 108.773 108.800 0.057 0.000 2.920 558 G HA2 0.353 4.313 3.960 0.000 0.000 0.208 558 G HA3 0.353 4.313 3.960 0.000 0.000 0.208 558 G C 0.540 175.454 174.900 0.024 0.000 1.159 558 G CA 1.154 46.301 45.100 0.078 0.000 0.784 558 G HN 1.314 nan 8.290 nan 0.000 0.535 559 D N -0.561 119.820 120.400 -0.033 0.000 2.705 559 D HA -0.166 4.474 4.640 0.000 0.000 0.240 559 D C -0.152 176.076 176.300 -0.121 0.000 1.137 559 D CA 0.336 54.287 54.000 -0.081 0.000 0.677 559 D CB -1.194 39.568 40.800 -0.063 0.000 1.049 559 D HN 0.104 nan 8.370 nan 0.000 0.427 560 I N 1.409 121.865 120.570 -0.190 0.000 2.404 560 I HA 0.389 4.559 4.170 0.000 0.000 0.293 560 I C -0.050 175.814 176.117 -0.421 0.000 0.992 560 I CA -0.773 60.315 61.300 -0.354 0.000 1.149 560 I CB 1.259 38.893 38.000 -0.610 0.000 1.315 560 I HN 0.143 nan 8.210 nan 0.000 0.446 561 Y N 5.717 125.673 120.300 -0.573 0.000 2.425 561 Y HA 0.508 5.058 4.550 0.000 0.000 0.344 561 Y C -0.687 174.891 175.900 -0.537 0.000 0.969 561 Y CA -0.386 57.387 58.100 -0.544 0.000 1.052 561 Y CB 1.540 39.801 38.460 -0.332 0.000 1.215 561 Y HN 0.657 nan 8.280 nan 0.000 0.451 562 H N 0.000 118.425 119.070 -1.075 0.000 2.539 562 H HA 0.000 4.556 4.556 0.000 0.000 0.296 562 H CA 0.000 55.578 56.048 -0.783 0.000 1.023 562 H CB 0.000 29.394 29.762 -0.614 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496