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 2xhu_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINPLSNSL LRHHNMVYAT TSRSASLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSIEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSRAVNHIR SVWEDLLEDT ETPIDTTIMA KSEVFCVQPE DATA SEQUENCE XGGRKPARLI VFPDLGVRVC EKMALYDVVS TLPQAVMGSS YGFQYSPKQR DATA SEQUENCE VEFLVNTWKS KKCPMGFSYD TRCFDSTVTE SDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIRSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAT DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAAALRAFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPINSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFTLHSYSPG EINRVASCLR KLGVPPLRTW DATA SEQUENCE RHRARSVRAK LLSQGGRAAT CGRYLFNWAV RTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHS 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 0.000 174.569 174.600 -0.052 0.000 1.055 1 S CA 0.000 58.176 58.200 -0.040 0.000 1.107 1 S CB 0.000 63.171 63.200 -0.049 0.000 0.593 2 M N 3.526 123.082 119.600 -0.075 0.000 2.249 2 M HA 0.344 4.824 4.480 -0.000 0.000 0.351 2 M C 1.896 178.069 176.300 -0.212 0.000 1.180 2 M CA -0.328 54.910 55.300 -0.103 0.000 1.127 2 M CB 1.045 33.602 32.600 -0.071 0.000 1.546 2 M HN 1.046 nan 8.290 nan 0.000 0.461 3 S N 2.214 117.721 115.700 -0.321 0.000 2.383 3 S HA -0.101 4.369 4.470 -0.000 0.000 0.229 3 S C 0.164 174.269 174.600 -0.825 0.000 1.030 3 S CA 1.060 58.933 58.200 -0.544 0.000 1.002 3 S CB -0.261 62.565 63.200 -0.624 0.000 0.829 3 S HN 0.653 nan 8.310 nan 0.000 0.467 4 Y N -0.226 119.900 120.300 -0.290 0.000 2.553 4 Y HA 0.600 5.150 4.550 -0.000 0.000 0.347 4 Y C -0.089 175.482 175.900 -0.548 0.000 1.019 4 Y CA -0.989 56.799 58.100 -0.520 0.000 1.032 4 Y CB 2.219 40.239 38.460 -0.734 0.000 1.284 4 Y HN -0.143 nan 8.280 nan 0.000 0.466 5 T N 1.604 115.857 114.554 -0.501 0.000 2.876 5 T HA 0.448 4.798 4.350 -0.000 0.000 0.289 5 T C -1.569 172.824 174.700 -0.513 0.000 1.014 5 T CA -0.801 61.082 62.100 -0.362 0.000 0.986 5 T CB 0.691 69.477 68.868 -0.138 0.000 1.021 5 T HN 0.477 nan 8.240 nan 0.000 0.458 6 W N 1.180 122.536 121.300 0.094 0.000 2.785 6 W HA 0.378 5.038 4.660 0.000 0.000 0.333 6 W C 1.386 177.935 176.519 0.051 0.000 1.062 6 W CA -0.964 56.422 57.345 0.069 0.000 1.233 6 W CB 1.210 30.697 29.460 0.045 0.000 1.413 6 W HN 0.770 nan 8.180 nan 0.000 0.489 7 T N -1.790 112.938 114.554 0.290 0.000 3.067 7 T HA 0.287 4.637 4.350 -0.000 0.000 0.261 7 T C 1.486 176.273 174.700 0.145 0.000 1.110 7 T CA 0.959 63.162 62.100 0.172 0.000 1.113 7 T CB 0.019 68.967 68.868 0.133 0.000 0.917 7 T HN 1.166 nan 8.240 nan 0.000 0.499 8 G N 1.231 110.130 108.800 0.164 0.000 2.259 8 G HA2 0.010 3.970 3.960 -0.000 0.000 0.217 8 G HA3 0.010 3.970 3.960 -0.000 0.000 0.217 8 G C 0.383 175.315 174.900 0.053 0.000 1.001 8 G CA -0.176 44.975 45.100 0.084 0.000 0.627 8 G HN 1.128 nan 8.290 nan 0.000 0.501 9 A N 1.651 124.517 122.820 0.076 0.000 2.511 9 A HA 0.573 4.893 4.320 -0.000 0.000 0.242 9 A C 0.692 178.292 177.584 0.027 0.000 1.069 9 A CA 0.206 52.274 52.037 0.052 0.000 0.763 9 A CB 0.240 19.279 19.000 0.066 0.000 1.001 9 A HN 0.832 nan 8.150 nan 0.000 0.498 10 L N 2.405 123.629 121.223 0.001 0.000 2.467 10 L HA 0.124 4.464 4.340 -0.000 0.000 0.270 10 L C 0.594 177.451 176.870 -0.023 0.000 1.205 10 L CA -0.185 54.637 54.840 -0.029 0.000 0.828 10 L CB 0.160 42.205 42.059 -0.024 0.000 1.101 10 L HN 0.480 nan 8.230 nan 0.000 0.479 11 I N 2.064 122.600 120.570 -0.057 0.000 2.421 11 I HA 0.097 4.267 4.170 -0.000 0.000 0.291 11 I C 0.703 176.813 176.117 -0.012 0.000 1.089 11 I CA -0.052 61.229 61.300 -0.032 0.000 1.354 11 I CB -0.167 37.795 38.000 -0.064 0.000 1.413 11 I HN 0.629 nan 8.210 nan 0.000 0.513 12 T N 6.067 120.626 114.554 0.008 0.000 2.929 12 T HA 0.665 5.015 4.350 -0.000 0.000 0.284 12 T C -2.454 172.263 174.700 0.028 0.000 1.014 12 T CA -1.834 60.274 62.100 0.014 0.000 1.051 12 T CB 1.938 70.815 68.868 0.014 0.000 1.028 12 T HN 0.315 nan 8.240 nan 0.000 0.485 13 P HA 0.278 nan 4.420 nan 0.000 0.278 13 P C 0.830 178.156 177.300 0.043 0.000 1.258 13 P CA -0.801 62.325 63.100 0.043 0.000 0.811 13 P CB 0.828 32.553 31.700 0.042 0.000 1.063 14 C N -0.770 118.561 119.300 0.051 0.000 2.791 14 C HA 0.724 5.184 4.460 -0.000 0.000 0.288 14 C C 0.980 175.994 174.990 0.041 0.000 1.271 14 C CA 0.485 59.531 59.018 0.047 0.000 1.726 14 C CB -0.863 26.912 27.740 0.060 0.000 2.145 14 C HN 0.667 nan 8.230 nan 0.000 0.572 15 A N 0.532 123.379 122.820 0.046 0.000 2.525 15 A HA 0.842 5.162 4.320 -0.000 0.000 0.291 15 A C -0.183 177.430 177.584 0.047 0.000 1.268 15 A CA 0.032 52.094 52.037 0.043 0.000 0.712 15 A CB -0.114 18.912 19.000 0.044 0.000 1.320 15 A HN 1.238 nan 8.150 nan 0.000 0.456 16 A N -0.064 122.784 122.820 0.047 0.000 2.498 16 A HA 0.486 4.806 4.320 -0.000 0.000 0.239 16 A C -0.067 177.560 177.584 0.071 0.000 1.068 16 A CA 0.298 52.367 52.037 0.053 0.000 0.766 16 A CB -0.320 18.709 19.000 0.048 0.000 1.003 16 A HN 0.601 nan 8.150 nan 0.000 0.497 17 E N 1.527 121.775 120.200 0.079 0.000 2.151 17 E HA 0.287 4.637 4.350 -0.000 0.000 0.275 17 E C -0.856 175.826 176.600 0.137 0.000 0.936 17 E CA -0.704 55.759 56.400 0.104 0.000 0.777 17 E CB 1.273 31.027 29.700 0.090 0.000 1.108 17 E HN 0.583 nan 8.360 nan 0.000 0.401 18 E N 1.349 121.668 120.200 0.199 0.000 2.259 18 E HA 0.086 4.436 4.350 -0.000 0.000 0.281 18 E C 0.334 177.161 176.600 0.379 0.000 1.027 18 E CA -0.066 56.496 56.400 0.270 0.000 0.838 18 E CB 1.627 31.511 29.700 0.307 0.000 1.066 18 E HN 0.581 nan 8.360 nan 0.000 0.401 19 S N 1.993 117.898 115.700 0.342 0.000 2.559 19 S HA 0.231 4.701 4.470 -0.000 0.000 0.226 19 S C 0.492 175.362 174.600 0.450 0.000 1.030 19 S CA -0.134 58.267 58.200 0.334 0.000 0.956 19 S CB 0.713 64.039 63.200 0.210 0.000 0.900 19 S HN 0.241 nan 8.310 nan 0.000 0.510 20 K N 0.315 120.988 120.400 0.456 0.000 2.482 20 K HA 0.511 4.831 4.320 -0.000 0.000 0.257 20 K C -1.608 175.104 176.600 0.187 0.000 0.969 20 K CA -0.997 55.527 56.287 0.396 0.000 0.842 20 K CB 1.496 34.137 32.500 0.235 0.000 1.359 20 K HN 0.011 nan 8.250 nan 0.000 0.441 21 L N 3.455 124.782 121.223 0.174 0.000 2.485 21 L HA 0.100 4.440 4.340 -0.000 0.000 0.275 21 L C -1.985 174.816 176.870 -0.115 0.000 1.207 21 L CA -0.957 53.843 54.840 -0.066 0.000 0.855 21 L CB -0.475 41.645 42.059 0.102 0.000 1.114 21 L HN 0.473 nan 8.230 nan 0.000 0.485 22 P HA -0.087 nan 4.420 nan 0.000 0.267 22 P C 1.123 178.350 177.300 -0.121 0.000 1.201 22 P CA -0.185 62.822 63.100 -0.153 0.000 0.775 22 P CB 0.544 32.145 31.700 -0.166 0.000 0.854 23 I N 0.953 121.465 120.570 -0.097 0.000 2.300 23 I HA -0.211 3.959 4.170 -0.000 0.000 0.252 23 I C 0.665 176.691 176.117 -0.152 0.000 1.119 23 I CA 1.628 62.865 61.300 -0.104 0.000 1.384 23 I CB -0.500 37.462 38.000 -0.065 0.000 1.062 23 I HN 0.343 nan 8.210 nan 0.000 0.426 24 N N 0.844 119.467 118.700 -0.127 0.000 2.609 24 N HA 0.269 5.009 4.740 -0.000 0.000 0.268 24 N C -2.711 172.740 175.510 -0.099 0.000 1.106 24 N CA -1.788 51.186 53.050 -0.127 0.000 0.823 24 N CB 1.210 39.647 38.487 -0.084 0.000 1.263 24 N HN -0.088 nan 8.380 nan 0.000 0.533 25 P HA -0.041 nan 4.420 nan 0.000 0.264 25 P C 1.259 178.536 177.300 -0.038 0.000 1.183 25 P CA -0.189 62.874 63.100 -0.062 0.000 0.763 25 P CB 1.269 32.958 31.700 -0.019 0.000 0.807 26 L N 1.741 122.942 121.223 -0.036 0.000 2.456 26 L HA -0.061 4.279 4.340 -0.000 0.000 0.224 26 L C 0.843 177.714 176.870 0.003 0.000 1.148 26 L CA 1.252 56.080 54.840 -0.020 0.000 0.825 26 L CB 0.082 42.129 42.059 -0.019 0.000 0.937 26 L HN 0.375 nan 8.230 nan 0.000 0.450 27 S N -0.990 114.722 115.700 0.021 0.000 2.413 27 S HA 0.182 4.651 4.470 -0.000 0.000 0.170 27 S C 0.338 174.962 174.600 0.041 0.000 1.294 27 S CA -0.665 57.566 58.200 0.052 0.000 1.201 27 S CB 0.403 63.693 63.200 0.149 0.000 1.328 27 S HN 0.220 nan 8.310 nan 0.000 0.418 28 N N 1.544 120.259 118.700 0.026 0.000 2.519 28 N HA -0.037 4.703 4.740 -0.000 0.000 0.186 28 N C 1.770 177.291 175.510 0.019 0.000 1.062 28 N CA 1.124 54.193 53.050 0.031 0.000 0.910 28 N CB 0.097 38.600 38.487 0.026 0.000 0.958 28 N HN 0.483 nan 8.380 nan 0.000 0.445 29 S N -0.735 114.981 115.700 0.026 0.000 2.442 29 S HA -0.036 4.434 4.470 -0.000 0.000 0.236 29 S C 1.541 176.171 174.600 0.049 0.000 1.007 29 S CA 0.574 58.783 58.200 0.016 0.000 0.965 29 S CB -0.105 63.120 63.200 0.042 0.000 0.773 29 S HN 0.334 nan 8.310 nan 0.000 0.504 30 L N 0.250 121.506 121.223 0.056 0.000 2.189 30 L HA 0.550 4.890 4.340 -0.000 0.000 0.199 30 L C 0.231 177.143 176.870 0.070 0.000 1.074 30 L CA 1.186 56.048 54.840 0.038 0.000 0.783 30 L CB -0.001 41.833 42.059 -0.376 0.000 0.955 30 L HN 0.389 nan 8.230 nan 0.000 0.460 31 L N -1.069 120.167 121.223 0.021 0.000 2.436 31 L HA 0.384 4.724 4.340 -0.000 0.000 0.268 31 L C 0.645 177.523 176.870 0.012 0.000 0.974 31 L CA -0.431 54.417 54.840 0.013 0.000 0.826 31 L CB 1.661 43.738 42.059 0.031 0.000 1.291 31 L HN -0.003 nan 8.230 nan 0.000 0.406 32 R N 1.100 121.553 120.500 -0.078 0.000 2.156 32 R HA 0.136 4.476 4.340 -0.000 0.000 0.207 32 R C 0.132 176.473 176.300 0.068 0.000 1.040 32 R CA 0.374 56.450 56.100 -0.039 0.000 1.013 32 R CB 0.163 30.369 30.300 -0.156 0.000 0.931 32 R HN 0.659 nan 8.270 nan 0.000 0.465 33 H N 0.874 119.954 119.070 0.017 0.000 2.768 33 H HA 0.024 4.580 4.556 -0.000 0.000 0.228 33 H C 0.818 176.072 175.328 -0.124 0.000 1.812 33 H CA -0.387 55.601 56.048 -0.100 0.000 1.273 33 H CB -0.110 29.618 29.762 -0.055 0.000 1.631 33 H HN 0.434 nan 8.280 nan 0.000 0.526 34 H N -0.671 118.497 119.070 0.164 0.000 2.400 34 H HA -0.249 4.307 4.556 -0.000 0.000 0.295 34 H C 1.181 176.601 175.328 0.154 0.000 1.118 34 H CA 1.860 57.990 56.048 0.136 0.000 1.256 34 H CB -0.443 29.376 29.762 0.096 0.000 1.365 34 H HN 0.471 nan 8.280 nan 0.000 0.502 35 N N -0.064 118.528 118.700 -0.180 0.000 2.519 35 N HA -0.077 4.663 4.740 -0.000 0.000 0.186 35 N C 1.054 176.613 175.510 0.081 0.000 1.062 35 N CA 0.919 53.971 53.050 0.003 0.000 0.910 35 N CB 0.032 38.461 38.487 -0.098 0.000 0.958 35 N HN 0.372 nan 8.380 nan 0.000 0.445 36 M N 0.202 119.862 119.600 0.099 0.000 2.447 36 M HA 0.082 4.562 4.480 -0.000 0.000 0.264 36 M C 0.225 176.663 176.300 0.230 0.000 1.095 36 M CA 0.516 55.903 55.300 0.145 0.000 1.125 36 M CB -0.041 32.639 32.600 0.134 0.000 1.389 36 M HN -0.153 nan 8.290 nan 0.000 0.459 37 V N 1.789 121.847 119.914 0.239 0.000 2.465 37 V HA 0.225 4.345 4.120 -0.000 0.000 0.279 37 V C -0.608 175.701 176.094 0.359 0.000 1.045 37 V CA -0.581 61.872 62.300 0.255 0.000 0.938 37 V CB 0.428 32.411 31.823 0.266 0.000 0.986 37 V HN 0.410 nan 8.190 nan 0.000 0.467 38 Y N 2.593 122.983 120.300 0.149 0.000 2.571 38 Y HA 0.885 5.435 4.550 -0.000 0.000 0.341 38 Y C -0.501 175.337 175.900 -0.103 0.000 1.076 38 Y CA -1.292 56.878 58.100 0.117 0.000 1.029 38 Y CB 1.465 39.992 38.460 0.112 0.000 1.308 38 Y HN 0.706 nan 8.280 nan 0.000 0.461 39 A N 1.709 124.459 122.820 -0.116 0.000 2.340 39 A HA 0.702 5.022 4.320 -0.000 0.000 0.331 39 A C -0.131 177.472 177.584 0.031 0.000 1.140 39 A CA -0.393 51.403 52.037 -0.401 0.000 0.801 39 A CB 0.629 19.145 19.000 -0.807 0.000 1.234 39 A HN 1.094 nan 8.150 nan 0.000 0.469 40 T N -0.072 114.488 114.554 0.010 0.000 2.913 40 T HA 0.559 4.909 4.350 -0.000 0.000 0.297 40 T C 0.383 175.132 174.700 0.081 0.000 1.029 40 T CA 0.359 62.547 62.100 0.147 0.000 1.104 40 T CB 0.745 69.718 68.868 0.174 0.000 0.964 40 T HN 1.375 nan 8.240 nan 0.000 0.532 41 T N -1.678 112.933 114.554 0.095 0.000 2.864 41 T HA 0.483 4.833 4.350 -0.000 0.000 0.289 41 T C 1.399 176.131 174.700 0.054 0.000 1.082 41 T CA -0.231 61.912 62.100 0.072 0.000 1.009 41 T CB 1.237 70.152 68.868 0.079 0.000 1.234 41 T HN 0.745 nan 8.240 nan 0.000 0.526 42 S N -0.177 115.549 115.700 0.042 0.000 2.507 42 S HA -0.079 4.391 4.470 -0.000 0.000 0.235 42 S C 1.684 176.288 174.600 0.007 0.000 0.988 42 S CA 0.163 58.376 58.200 0.022 0.000 0.944 42 S CB -0.681 62.531 63.200 0.021 0.000 0.762 42 S HN 0.711 nan 8.310 nan 0.000 0.526 43 R N 1.556 122.067 120.500 0.018 0.000 2.241 43 R HA -0.001 4.339 4.340 -0.000 0.000 0.224 43 R C 1.840 178.137 176.300 -0.006 0.000 1.101 43 R CA 1.333 57.437 56.100 0.007 0.000 0.995 43 R CB -0.400 29.911 30.300 0.018 0.000 0.870 43 R HN 0.715 nan 8.270 nan 0.000 0.463 44 S N -1.120 114.581 115.700 0.001 0.000 2.554 44 S HA 0.282 4.752 4.470 -0.000 0.000 0.226 44 S C 1.647 176.230 174.600 -0.029 0.000 0.980 44 S CA 0.049 58.244 58.200 -0.008 0.000 0.939 44 S CB 0.999 64.210 63.200 0.017 0.000 0.832 44 S HN 0.239 nan 8.310 nan 0.000 0.486 45 A N 2.932 125.725 122.820 -0.046 0.000 1.908 45 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 45 A C 2.446 179.940 177.584 -0.150 0.000 1.181 45 A CA 2.000 53.985 52.037 -0.086 0.000 0.627 45 A CB -1.339 17.603 19.000 -0.096 0.000 0.818 45 A HN 0.881 nan 8.150 nan 0.000 0.445 46 S N -0.527 115.078 115.700 -0.158 0.000 2.419 46 S HA -0.095 4.375 4.470 -0.000 0.000 0.233 46 S C 1.636 176.149 174.600 -0.144 0.000 1.016 46 S CA 1.385 59.463 58.200 -0.203 0.000 0.974 46 S CB -0.452 62.648 63.200 -0.167 0.000 0.786 46 S HN 0.217 nan 8.310 nan 0.000 0.492 47 L N 1.819 122.989 121.223 -0.088 0.000 2.027 47 L HA 0.127 4.467 4.340 -0.000 0.000 0.206 47 L C 2.832 179.679 176.870 -0.039 0.000 1.074 47 L CA 1.583 56.393 54.840 -0.051 0.000 0.745 47 L CB -1.275 40.765 42.059 -0.031 0.000 0.898 47 L HN 0.298 nan 8.230 nan 0.000 0.433 48 R N -0.071 120.402 120.500 -0.045 0.000 2.081 48 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 48 R C 2.228 178.504 176.300 -0.039 0.000 1.131 48 R CA 1.469 57.557 56.100 -0.020 0.000 0.960 48 R CB -0.482 29.810 30.300 -0.013 0.000 0.856 48 R HN 0.451 nan 8.270 nan 0.000 0.436 49 Q N 0.158 119.868 119.800 -0.150 0.000 2.077 49 Q HA -0.242 4.098 4.340 -0.000 0.000 0.206 49 Q C 2.019 178.003 176.000 -0.027 0.000 0.989 49 Q CA 2.241 57.906 55.803 -0.229 0.000 0.853 49 Q CB -0.265 28.076 28.738 -0.662 0.000 0.907 49 Q HN 0.337 nan 8.270 nan 0.000 0.418 50 K N 1.165 121.548 120.400 -0.029 0.000 2.057 50 K HA -0.229 4.091 4.320 -0.000 0.000 0.207 50 K C 2.038 178.720 176.600 0.138 0.000 1.049 50 K CA 1.600 57.922 56.287 0.059 0.000 0.931 50 K CB -0.021 32.492 32.500 0.022 0.000 0.714 50 K HN -0.060 nan 8.250 nan 0.000 0.440 51 K N 0.297 120.769 120.400 0.120 0.000 2.148 51 K HA -0.049 4.270 4.320 -0.000 0.000 0.204 51 K C 1.567 178.353 176.600 0.309 0.000 1.050 51 K CA 0.955 57.346 56.287 0.173 0.000 0.942 51 K CB 0.096 32.667 32.500 0.118 0.000 0.724 51 K HN 0.011 nan 8.250 nan 0.000 0.446 52 V N 0.840 120.912 119.914 0.263 0.000 3.649 52 V HA 0.055 4.175 4.120 -0.000 0.000 0.275 52 V C -0.234 176.011 176.094 0.252 0.000 1.281 52 V CA 0.660 63.135 62.300 0.292 0.000 1.143 52 V CB 0.344 32.269 31.823 0.170 0.000 0.892 52 V HN 0.284 nan 8.190 nan 0.000 0.441 53 T N 2.963 117.706 114.554 0.315 0.000 2.788 53 T HA 0.626 4.976 4.350 -0.000 0.000 0.296 53 T C -0.772 174.087 174.700 0.266 0.000 1.009 53 T CA -0.175 62.088 62.100 0.272 0.000 0.949 53 T CB 0.401 69.536 68.868 0.445 0.000 0.946 53 T HN 0.327 nan 8.240 nan 0.000 0.453 54 F N -0.089 119.960 119.950 0.164 0.000 2.817 54 F HA 0.677 5.204 4.527 -0.000 0.000 0.317 54 F C -1.206 174.626 175.800 0.053 0.000 1.168 54 F CA -1.633 56.425 58.000 0.096 0.000 0.911 54 F CB 0.634 39.683 39.000 0.081 0.000 1.337 54 F HN 0.191 nan 8.300 nan 0.000 0.464 55 D N 0.639 121.226 120.400 0.311 0.000 2.256 55 D HA 0.416 5.056 4.640 -0.000 0.000 0.250 55 D C -0.904 175.543 176.300 0.245 0.000 1.093 55 D CA -0.149 53.955 54.000 0.174 0.000 0.882 55 D CB 0.996 41.866 40.800 0.116 0.000 1.185 55 D HN 0.549 nan 8.370 nan 0.000 0.437 56 R N 2.855 123.435 120.500 0.133 0.000 2.239 56 R HA 0.440 4.780 4.340 -0.000 0.000 0.332 56 R C -0.714 175.621 176.300 0.058 0.000 0.988 56 R CA -0.448 55.729 56.100 0.128 0.000 0.859 56 R CB 0.775 31.120 30.300 0.074 0.000 1.148 56 R HN 0.378 nan 8.270 nan 0.000 0.482 57 L N 2.398 123.651 121.223 0.051 0.000 2.292 57 L HA 0.432 4.772 4.340 -0.000 0.000 0.284 57 L C 0.035 176.908 176.870 0.005 0.000 1.065 57 L CA -0.215 54.635 54.840 0.017 0.000 0.806 57 L CB 1.303 43.367 42.059 0.009 0.000 1.175 57 L HN 0.476 nan 8.230 nan 0.000 0.431 58 Q N 2.802 122.595 119.800 -0.011 0.000 2.274 58 Q HA 0.528 4.868 4.340 -0.000 0.000 0.268 58 Q C -1.848 174.129 176.000 -0.037 0.000 1.015 58 Q CA -0.559 55.231 55.803 -0.022 0.000 0.775 58 Q CB 2.499 31.215 28.738 -0.037 0.000 1.256 58 Q HN 0.431 nan 8.270 nan 0.000 0.442 59 V N 5.626 125.524 119.914 -0.027 0.000 2.376 59 V HA 0.414 4.534 4.120 -0.000 0.000 0.287 59 V C -0.237 175.858 176.094 0.002 0.000 1.015 59 V CA -0.635 61.647 62.300 -0.030 0.000 0.834 59 V CB 1.265 33.069 31.823 -0.032 0.000 1.001 59 V HN 0.744 nan 8.190 nan 0.000 0.428 60 L N 4.915 126.092 121.223 -0.077 0.000 2.357 60 L HA 0.675 5.015 4.340 -0.000 0.000 0.273 60 L C -0.033 176.851 176.870 0.024 0.000 1.080 60 L CA -0.403 54.353 54.840 -0.139 0.000 0.803 60 L CB 1.438 43.248 42.059 -0.416 0.000 1.174 60 L HN 0.765 nan 8.230 nan 0.000 0.443 61 D N -1.093 119.394 120.400 0.145 0.000 2.727 61 D HA 0.193 4.833 4.640 -0.000 0.000 0.264 61 D C 0.089 176.461 176.300 0.120 0.000 1.101 61 D CA -0.602 53.474 54.000 0.126 0.000 1.122 61 D CB 0.571 41.461 40.800 0.150 0.000 1.390 61 D HN 0.258 nan 8.370 nan 0.000 0.606 62 D N -1.351 119.064 120.400 0.026 0.000 2.144 62 D HA -0.139 4.501 4.640 -0.000 0.000 0.199 62 D C 1.727 178.043 176.300 0.026 0.000 0.984 62 D CA 1.174 55.163 54.000 -0.017 0.000 0.834 62 D CB -0.233 40.499 40.800 -0.114 0.000 0.955 62 D HN 0.384 nan 8.370 nan 0.000 0.465 63 H N -0.577 118.560 119.070 0.111 0.000 2.319 63 H HA -0.181 4.375 4.556 -0.000 0.000 0.297 63 H C 2.031 177.406 175.328 0.078 0.000 1.097 63 H CA 1.299 57.408 56.048 0.102 0.000 1.285 63 H CB -0.837 29.012 29.762 0.144 0.000 1.368 63 H HN 0.326 nan 8.280 nan 0.000 0.495 64 Y N 1.804 122.150 120.300 0.077 0.000 2.128 64 Y HA -0.238 4.312 4.550 -0.000 0.000 0.284 64 Y C 2.705 178.557 175.900 -0.079 0.000 1.154 64 Y CA 1.698 59.715 58.100 -0.139 0.000 1.149 64 Y CB -0.047 38.206 38.460 -0.345 0.000 0.976 64 Y HN -0.007 nan 8.280 nan 0.000 0.505 65 R N 0.071 120.661 120.500 0.151 0.000 2.096 65 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 65 R C 1.760 178.049 176.300 -0.020 0.000 1.127 65 R CA 1.477 57.609 56.100 0.054 0.000 0.968 65 R CB -0.368 29.985 30.300 0.089 0.000 0.861 65 R HN 0.391 nan 8.270 nan 0.000 0.440 66 D N 0.220 120.628 120.400 0.013 0.000 2.104 66 D HA -0.131 4.509 4.640 -0.000 0.000 0.194 66 D C 1.970 178.258 176.300 -0.021 0.000 0.994 66 D CA 1.154 55.161 54.000 0.012 0.000 0.830 66 D CB -0.252 40.583 40.800 0.059 0.000 0.959 66 D HN 0.003 nan 8.370 nan 0.000 0.452 67 V N 1.028 120.910 119.914 -0.053 0.000 2.358 67 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 67 V C 2.416 178.436 176.094 -0.123 0.000 1.047 67 V CA 0.917 63.166 62.300 -0.084 0.000 1.035 67 V CB -0.450 31.293 31.823 -0.133 0.000 0.658 67 V HN 0.136 nan 8.190 nan 0.000 0.452 68 L N 0.505 121.590 121.223 -0.230 0.000 2.042 68 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 68 L C 2.321 179.125 176.870 -0.111 0.000 1.076 68 L CA 2.008 56.712 54.840 -0.228 0.000 0.749 68 L CB -0.789 41.084 42.059 -0.311 0.000 0.893 68 L HN 0.227 nan 8.230 nan 0.000 0.432 69 K N -0.576 119.779 120.400 -0.075 0.000 2.148 69 K HA -0.135 4.185 4.320 -0.000 0.000 0.204 69 K C 1.950 178.533 176.600 -0.027 0.000 1.050 69 K CA 1.574 57.837 56.287 -0.040 0.000 0.942 69 K CB -0.106 32.380 32.500 -0.023 0.000 0.724 69 K HN 0.481 nan 8.250 nan 0.000 0.446 70 E N 0.491 120.678 120.200 -0.021 0.000 2.106 70 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 70 E C 1.989 178.589 176.600 -0.001 0.000 0.984 70 E CA 1.083 57.482 56.400 -0.001 0.000 0.806 70 E CB -0.006 29.704 29.700 0.017 0.000 0.750 70 E HN 0.262 nan 8.360 nan 0.000 0.458 71 M N 0.635 120.230 119.600 -0.008 0.000 2.117 71 M HA -0.169 4.311 4.480 -0.000 0.000 0.262 71 M C 2.118 178.393 176.300 -0.042 0.000 1.065 71 M CA 1.493 56.782 55.300 -0.019 0.000 1.114 71 M CB -0.166 32.421 32.600 -0.022 0.000 1.361 71 M HN -0.060 nan 8.290 nan 0.000 0.408 72 K N 0.369 120.742 120.400 -0.045 0.000 2.097 72 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 72 K C 2.075 178.660 176.600 -0.026 0.000 1.049 72 K CA 1.414 57.677 56.287 -0.040 0.000 0.933 72 K CB -0.287 32.189 32.500 -0.039 0.000 0.717 72 K HN 0.300 nan 8.250 nan 0.000 0.442 73 A N 1.802 124.609 122.820 -0.021 0.000 1.972 73 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 73 A C 1.820 179.394 177.584 -0.017 0.000 1.169 73 A CA 1.332 53.361 52.037 -0.014 0.000 0.635 73 A CB -0.129 18.866 19.000 -0.008 0.000 0.810 73 A HN 0.092 nan 8.150 nan 0.000 0.446 74 K N -0.185 120.200 120.400 -0.024 0.000 2.062 74 K HA 0.054 4.374 4.320 -0.000 0.000 0.205 74 K C 2.228 178.805 176.600 -0.039 0.000 1.051 74 K CA 1.160 57.427 56.287 -0.033 0.000 0.941 74 K CB -0.680 31.792 32.500 -0.046 0.000 0.719 74 K HN 0.416 nan 8.250 nan 0.000 0.440 75 A N 2.036 124.832 122.820 -0.040 0.000 2.019 75 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 75 A C 2.221 179.796 177.584 -0.016 0.000 1.164 75 A CA 2.054 54.072 52.037 -0.031 0.000 0.644 75 A CB -0.615 18.371 19.000 -0.023 0.000 0.805 75 A HN 0.422 nan 8.150 nan 0.000 0.449 76 S N -0.202 115.490 115.700 -0.014 0.000 2.507 76 S HA -0.121 4.349 4.470 -0.000 0.000 0.235 76 S C 1.639 176.235 174.600 -0.007 0.000 0.988 76 S CA 1.610 59.806 58.200 -0.006 0.000 0.944 76 S CB -1.126 62.071 63.200 -0.005 0.000 0.762 76 S HN 0.781 nan 8.310 nan 0.000 0.526 77 T N -0.815 113.731 114.554 -0.013 0.000 3.088 77 T HA 0.248 4.598 4.350 -0.000 0.000 0.259 77 T C 0.556 175.249 174.700 -0.012 0.000 1.122 77 T CA -0.082 62.011 62.100 -0.012 0.000 1.095 77 T CB -0.494 68.364 68.868 -0.017 0.000 0.930 77 T HN 0.191 nan 8.240 nan 0.000 0.508 78 V N 2.087 121.993 119.914 -0.014 0.000 2.583 78 V HA 0.359 4.479 4.120 -0.000 0.000 0.287 78 V C 0.125 176.216 176.094 -0.005 0.000 1.051 78 V CA -0.726 61.565 62.300 -0.015 0.000 1.010 78 V CB 1.110 32.920 31.823 -0.021 0.000 0.988 78 V HN 0.410 nan 8.190 nan 0.000 0.478 79 K N 3.961 124.358 120.400 -0.005 0.000 2.394 79 K HA 0.729 5.049 4.320 -0.000 0.000 0.260 79 K C -0.556 176.045 176.600 0.002 0.000 0.967 79 K CA -0.400 55.889 56.287 0.002 0.000 0.855 79 K CB 1.346 33.848 32.500 0.003 0.000 1.101 79 K HN 0.818 nan 8.250 nan 0.000 0.433 80 A N 4.164 126.988 122.820 0.007 0.000 2.324 80 A HA 0.557 4.877 4.320 -0.000 0.000 0.330 80 A C -0.917 176.679 177.584 0.020 0.000 1.165 80 A CA -0.850 51.192 52.037 0.008 0.000 0.813 80 A CB 0.881 19.883 19.000 0.002 0.000 1.197 80 A HN 0.605 nan 8.150 nan 0.000 0.484 81 K N 0.981 121.396 120.400 0.025 0.000 2.110 81 K HA 0.407 4.727 4.320 -0.000 0.000 0.263 81 K C -0.845 175.777 176.600 0.036 0.000 0.975 81 K CA -0.834 55.469 56.287 0.027 0.000 0.895 81 K CB 1.721 34.234 32.500 0.022 0.000 1.060 81 K HN 0.539 nan 8.250 nan 0.000 0.448 82 L N 3.117 124.354 121.223 0.024 0.000 2.360 82 L HA 0.123 4.463 4.340 -0.000 0.000 0.276 82 L C -0.625 176.222 176.870 -0.039 0.000 1.121 82 L CA -0.248 54.593 54.840 0.003 0.000 0.845 82 L CB 0.068 42.121 42.059 -0.010 0.000 1.143 82 L HN 0.357 nan 8.230 nan 0.000 0.452 83 L N 4.067 125.259 121.223 -0.051 0.000 2.397 83 L HA 0.321 4.661 4.340 -0.000 0.000 0.271 83 L C 0.715 177.487 176.870 -0.163 0.000 1.148 83 L CA 0.429 55.220 54.840 -0.081 0.000 0.825 83 L CB 1.051 43.071 42.059 -0.065 0.000 1.117 83 L HN 0.862 nan 8.230 nan 0.000 0.456 84 S N 3.128 118.741 115.700 -0.145 0.000 2.589 84 S HA 0.182 4.652 4.470 -0.000 0.000 0.265 84 S C 1.548 176.033 174.600 -0.192 0.000 1.342 84 S CA -0.662 57.434 58.200 -0.173 0.000 1.005 84 S CB 0.448 63.573 63.200 -0.126 0.000 0.909 84 S HN 0.436 nan 8.310 nan 0.000 0.555 85 I N 0.858 121.304 120.570 -0.206 0.000 2.151 85 I HA -0.215 3.955 4.170 -0.000 0.000 0.243 85 I C 2.726 178.761 176.117 -0.137 0.000 1.080 85 I CA 2.250 63.441 61.300 -0.181 0.000 1.339 85 I CB -1.407 36.495 38.000 -0.163 0.000 1.039 85 I HN 0.937 nan 8.210 nan 0.000 0.409 86 E N 1.331 121.459 120.200 -0.120 0.000 2.038 86 E HA -0.253 4.097 4.350 -0.000 0.000 0.195 86 E C 2.051 178.588 176.600 -0.105 0.000 1.000 86 E CA 1.697 58.037 56.400 -0.100 0.000 0.803 86 E CB 0.019 29.668 29.700 -0.085 0.000 0.750 86 E HN 0.513 nan 8.360 nan 0.000 0.448 87 E N 0.130 120.262 120.200 -0.114 0.000 2.077 87 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 87 E C 2.068 178.569 176.600 -0.164 0.000 0.989 87 E CA 0.964 57.288 56.400 -0.128 0.000 0.800 87 E CB -0.180 29.447 29.700 -0.122 0.000 0.746 87 E HN 0.384 nan 8.360 nan 0.000 0.452 88 A N 0.834 123.559 122.820 -0.157 0.000 1.902 88 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 88 A C 2.420 179.928 177.584 -0.126 0.000 1.181 88 A CA 1.141 53.084 52.037 -0.158 0.000 0.623 88 A CB -0.882 18.045 19.000 -0.122 0.000 0.818 88 A HN 0.368 nan 8.150 nan 0.000 0.443 89 C N -0.144 119.093 119.300 -0.104 0.000 2.413 89 C HA -0.078 4.382 4.460 -0.000 0.000 0.276 89 C C 2.506 177.442 174.990 -0.089 0.000 1.248 89 C CA 1.296 60.265 59.018 -0.083 0.000 1.742 89 C CB -0.747 26.946 27.740 -0.079 0.000 2.017 89 C HN 0.484 nan 8.230 nan 0.000 0.481 90 K N 0.860 121.203 120.400 -0.095 0.000 2.439 90 K HA 0.104 4.424 4.320 -0.000 0.000 0.197 90 K C 1.376 177.945 176.600 -0.053 0.000 1.041 90 K CA 0.735 56.978 56.287 -0.072 0.000 0.970 90 K CB -0.400 32.062 32.500 -0.063 0.000 0.773 90 K HN 0.547 nan 8.250 nan 0.000 0.479 91 L N 0.906 122.060 121.223 -0.114 0.000 2.591 91 L HA 0.030 4.370 4.340 -0.000 0.000 0.228 91 L C 0.283 177.109 176.870 -0.074 0.000 1.133 91 L CA 0.171 54.933 54.840 -0.129 0.000 0.880 91 L CB -0.170 41.695 42.059 -0.323 0.000 1.033 91 L HN -0.126 nan 8.230 nan 0.000 0.450 92 T N 1.973 116.479 114.554 -0.080 0.000 2.729 92 T HA 0.229 4.579 4.350 -0.000 0.000 0.296 92 T C -2.326 172.268 174.700 -0.176 0.000 0.928 92 T CA -1.196 60.849 62.100 -0.091 0.000 1.045 92 T CB 0.947 69.771 68.868 -0.073 0.000 0.902 92 T HN -0.139 nan 8.240 nan 0.000 0.500 93 P HA 0.134 nan 4.420 nan 0.000 0.265 93 P C -1.915 175.164 177.300 -0.368 0.000 1.193 93 P CA -1.373 61.561 63.100 -0.276 0.000 0.765 93 P CB 0.162 31.823 31.700 -0.066 0.000 0.823 94 P HA -0.167 nan 4.420 nan 0.000 0.220 94 P C 0.545 177.480 177.300 -0.609 0.000 1.144 94 P CA 1.694 64.439 63.100 -0.591 0.000 0.800 94 P CB -0.127 31.148 31.700 -0.709 0.000 0.772 95 H N -2.815 116.175 119.070 -0.134 0.000 2.581 95 H HA 0.249 4.805 4.556 -0.000 0.000 0.275 95 H C 0.442 175.722 175.328 -0.080 0.000 1.126 95 H CA -0.281 55.719 56.048 -0.080 0.000 1.097 95 H CB 0.203 29.934 29.762 -0.051 0.000 1.626 95 H HN 0.034 nan 8.280 nan 0.000 0.565 96 S N 1.287 116.967 115.700 -0.034 0.000 2.563 96 S HA 0.247 4.717 4.470 -0.000 0.000 0.284 96 S C 0.719 175.294 174.600 -0.041 0.000 1.331 96 S CA -0.434 57.734 58.200 -0.055 0.000 1.047 96 S CB 0.338 63.502 63.200 -0.061 0.000 0.859 96 S HN 0.494 nan 8.310 nan 0.000 0.514 97 A N 4.992 127.768 122.820 -0.074 0.000 2.524 97 A HA 0.254 4.574 4.320 -0.000 0.000 0.250 97 A C 0.645 178.231 177.584 0.004 0.000 1.078 97 A CA -0.267 51.753 52.037 -0.030 0.000 0.761 97 A CB -0.162 18.808 19.000 -0.050 0.000 1.012 97 A HN 0.885 nan 8.150 nan 0.000 0.500 98 K N 2.204 122.599 120.400 -0.009 0.000 2.286 98 K HA 0.220 4.540 4.320 -0.000 0.000 0.256 98 K C 0.300 176.836 176.600 -0.107 0.000 0.999 98 K CA 0.163 56.410 56.287 -0.068 0.000 0.908 98 K CB 0.336 32.796 32.500 -0.066 0.000 0.981 98 K HN 0.462 nan 8.250 nan 0.000 0.500 99 S N 0.003 115.520 115.700 -0.306 0.000 2.580 99 S HA 0.066 4.536 4.470 -0.000 0.000 0.274 99 S C 0.795 175.248 174.600 -0.245 0.000 1.329 99 S CA -0.590 57.409 58.200 -0.335 0.000 1.036 99 S CB 0.724 63.377 63.200 -0.913 0.000 0.919 99 S HN 0.717 nan 8.310 nan 0.000 0.515 100 K N 2.596 122.896 120.400 -0.166 0.000 2.442 100 K HA 0.019 4.339 4.320 -0.000 0.000 0.198 100 K C 0.430 176.760 176.600 -0.451 0.000 1.042 100 K CA 1.439 57.548 56.287 -0.297 0.000 0.958 100 K CB -0.319 31.968 32.500 -0.356 0.000 0.766 100 K HN 0.539 nan 8.250 nan 0.000 0.474 101 F N 1.316 121.099 119.950 -0.278 0.000 2.663 101 F HA 0.302 4.829 4.527 -0.000 0.000 0.299 101 F C 1.064 176.807 175.800 -0.095 0.000 1.143 101 F CA 0.098 57.955 58.000 -0.238 0.000 1.387 101 F CB 0.619 39.318 39.000 -0.501 0.000 1.019 101 F HN 0.294 nan 8.300 nan 0.000 0.523 102 G N 0.441 109.217 108.800 -0.040 0.000 2.165 102 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.226 102 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.226 102 G C -0.406 174.581 174.900 0.146 0.000 1.035 102 G CA 0.074 45.195 45.100 0.036 0.000 0.744 102 G HN 0.538 nan 8.290 nan 0.000 0.501 103 Y N -2.579 117.737 120.300 0.027 0.000 2.638 103 Y HA 0.811 5.361 4.550 -0.000 0.000 0.335 103 Y C 0.387 176.305 175.900 0.030 0.000 1.155 103 Y CA -1.056 57.060 58.100 0.026 0.000 1.046 103 Y CB 0.717 39.197 38.460 0.033 0.000 1.303 103 Y HN 0.689 nan 8.280 nan 0.000 0.460 104 G N -0.182 108.694 108.800 0.127 0.000 3.140 104 G HA2 0.533 4.493 3.960 -0.000 0.000 0.271 104 G HA3 0.533 4.493 3.960 -0.000 0.000 0.271 104 G C 0.213 175.169 174.900 0.094 0.000 1.370 104 G CA -0.754 44.364 45.100 0.031 0.000 1.014 104 G HN 1.176 nan 8.290 nan 0.000 0.541 105 A N -0.368 122.461 122.820 0.014 0.000 1.940 105 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 105 A C 2.118 179.672 177.584 -0.050 0.000 1.176 105 A CA 2.368 54.390 52.037 -0.025 0.000 0.631 105 A CB -0.489 18.452 19.000 -0.098 0.000 0.814 105 A HN 0.605 nan 8.150 nan 0.000 0.446 106 K N -0.530 119.836 120.400 -0.056 0.000 2.097 106 K HA -0.181 4.139 4.320 -0.000 0.000 0.205 106 K C 1.189 177.774 176.600 -0.025 0.000 1.050 106 K CA 1.583 57.829 56.287 -0.069 0.000 0.938 106 K CB -0.233 32.229 32.500 -0.063 0.000 0.718 106 K HN 0.464 nan 8.250 nan 0.000 0.442 107 D N 0.502 120.921 120.400 0.032 0.000 2.117 107 D HA -0.135 4.505 4.640 -0.000 0.000 0.198 107 D C 2.055 178.362 176.300 0.011 0.000 0.982 107 D CA 1.128 55.154 54.000 0.044 0.000 0.828 107 D CB -0.125 40.752 40.800 0.129 0.000 0.967 107 D HN 0.065 nan 8.370 nan 0.000 0.464 108 V N 1.640 121.585 119.914 0.052 0.000 2.255 108 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 108 V C 2.494 178.564 176.094 -0.040 0.000 1.051 108 V CA 1.645 63.950 62.300 0.010 0.000 1.018 108 V CB -0.496 31.367 31.823 0.067 0.000 0.641 108 V HN 0.125 nan 8.190 nan 0.000 0.445 109 R N 0.364 120.829 120.500 -0.057 0.000 2.159 109 R HA -0.125 4.215 4.340 -0.000 0.000 0.237 109 R C 1.793 178.052 176.300 -0.069 0.000 1.131 109 R CA 1.406 57.456 56.100 -0.083 0.000 0.982 109 R CB -0.364 29.859 30.300 -0.127 0.000 0.868 109 R HN 0.506 nan 8.270 nan 0.000 0.453 110 N N 0.477 119.143 118.700 -0.057 0.000 2.412 110 N HA 0.091 4.831 4.740 -0.000 0.000 0.184 110 N C 0.179 175.658 175.510 -0.051 0.000 1.101 110 N CA 0.237 53.258 53.050 -0.049 0.000 0.881 110 N CB 0.272 38.735 38.487 -0.039 0.000 0.969 110 N HN 0.107 nan 8.380 nan 0.000 0.459 111 L N 0.774 121.960 121.223 -0.061 0.000 3.717 111 L HA -0.224 4.116 4.340 -0.000 0.000 0.414 111 L C 0.117 176.943 176.870 -0.073 0.000 1.228 111 L CA -0.042 54.755 54.840 -0.072 0.000 0.918 111 L CB -2.621 39.398 42.059 -0.066 0.000 1.865 111 L HN 0.163 nan 8.230 nan 0.000 0.922 112 S N -1.018 114.639 115.700 -0.072 0.000 2.573 112 S HA 0.217 4.687 4.470 -0.000 0.000 0.277 112 S C 1.487 176.033 174.600 -0.090 0.000 1.346 112 S CA 0.046 58.208 58.200 -0.065 0.000 1.034 112 S CB 1.809 64.983 63.200 -0.044 0.000 0.879 112 S HN 0.545 nan 8.310 nan 0.000 0.528 113 S N 2.705 118.365 115.700 -0.065 0.000 2.359 113 S HA -0.261 4.209 4.470 -0.000 0.000 0.224 113 S C 1.954 176.502 174.600 -0.088 0.000 1.035 113 S CA 1.257 59.418 58.200 -0.066 0.000 1.018 113 S CB -0.724 62.452 63.200 -0.039 0.000 0.876 113 S HN 0.871 nan 8.310 nan 0.000 0.448 114 R N 1.092 121.542 120.500 -0.083 0.000 2.096 114 R HA 0.009 4.349 4.340 -0.000 0.000 0.235 114 R C 2.454 178.589 176.300 -0.274 0.000 1.127 114 R CA 1.321 57.367 56.100 -0.090 0.000 0.968 114 R CB -0.791 29.505 30.300 -0.006 0.000 0.861 114 R HN 0.559 nan 8.270 nan 0.000 0.440 115 A N 0.121 122.663 122.820 -0.464 0.000 1.872 115 A HA -0.056 4.264 4.320 -0.000 0.000 0.214 115 A C 2.227 179.512 177.584 -0.497 0.000 1.187 115 A CA 1.316 52.761 52.037 -0.987 0.000 0.614 115 A CB -0.510 18.032 19.000 -0.763 0.000 0.826 115 A HN 0.210 nan 8.150 nan 0.000 0.442 116 V N 1.649 121.401 119.914 -0.270 0.000 2.407 116 V HA -0.256 3.863 4.120 -0.000 0.000 0.248 116 V C 2.536 178.552 176.094 -0.129 0.000 1.055 116 V CA 2.065 64.265 62.300 -0.167 0.000 1.049 116 V CB -1.002 30.747 31.823 -0.123 0.000 0.662 116 V HN 0.784 nan 8.190 nan 0.000 0.455 117 N N -0.059 118.573 118.700 -0.114 0.000 2.084 117 N HA -0.269 4.471 4.740 -0.000 0.000 0.190 117 N C 2.059 177.546 175.510 -0.039 0.000 1.030 117 N CA 2.044 55.057 53.050 -0.062 0.000 0.849 117 N CB -0.341 38.124 38.487 -0.037 0.000 1.012 117 N HN 0.712 nan 8.380 nan 0.000 0.423 118 H N 0.721 119.697 119.070 -0.157 0.000 2.357 118 H HA -0.008 4.548 4.556 -0.000 0.000 0.301 118 H C 2.345 177.620 175.328 -0.089 0.000 1.082 118 H CA 1.223 57.195 56.048 -0.127 0.000 1.342 118 H CB 0.046 29.770 29.762 -0.065 0.000 1.389 118 H HN 0.222 nan 8.280 nan 0.000 0.511 119 I N 0.778 121.254 120.570 -0.156 0.000 2.127 119 I HA -0.321 3.849 4.170 -0.000 0.000 0.241 119 I C 2.877 178.942 176.117 -0.087 0.000 1.075 119 I CA 1.350 62.571 61.300 -0.132 0.000 1.334 119 I CB -0.321 37.636 38.000 -0.070 0.000 1.040 119 I HN 0.261 nan 8.210 nan 0.000 0.405 120 R N 0.577 121.036 120.500 -0.068 0.000 2.117 120 R HA -0.192 4.148 4.340 -0.000 0.000 0.243 120 R C 2.533 178.841 176.300 0.013 0.000 1.143 120 R CA 1.949 58.044 56.100 -0.009 0.000 0.968 120 R CB -0.570 29.710 30.300 -0.033 0.000 0.863 120 R HN 0.512 nan 8.270 nan 0.000 0.444 121 S N 0.244 115.901 115.700 -0.073 0.000 2.406 121 S HA -0.059 4.410 4.470 -0.000 0.000 0.228 121 S C 2.102 176.621 174.600 -0.135 0.000 1.020 121 S CA 1.023 59.170 58.200 -0.089 0.000 0.965 121 S CB -0.194 62.946 63.200 -0.100 0.000 0.798 121 S HN 0.078 nan 8.310 nan 0.000 0.488 122 V N 0.719 120.494 119.914 -0.232 0.000 2.515 122 V HA -0.085 4.035 4.120 -0.000 0.000 0.250 122 V C 2.193 178.260 176.094 -0.045 0.000 1.058 122 V CA 1.621 63.800 62.300 -0.201 0.000 1.064 122 V CB -0.957 30.696 31.823 -0.283 0.000 0.675 122 V HN 0.705 nan 8.190 nan 0.000 0.461 123 W N 1.061 122.278 121.300 -0.138 0.000 2.378 123 W HA -0.128 4.532 4.660 -0.000 0.000 0.313 123 W C 2.361 178.836 176.519 -0.073 0.000 1.197 123 W CA 1.633 58.925 57.345 -0.089 0.000 1.304 123 W CB -0.053 29.363 29.460 -0.074 0.000 1.148 123 W HN 0.263 nan 8.180 nan 0.000 0.494 124 E N 0.539 120.779 120.200 0.066 0.000 2.118 124 E HA -0.261 4.089 4.350 -0.000 0.000 0.195 124 E C 1.490 178.019 176.600 -0.119 0.000 0.992 124 E CA 2.014 58.398 56.400 -0.027 0.000 0.804 124 E CB -0.885 28.829 29.700 0.023 0.000 0.741 124 E HN 0.444 nan 8.360 nan 0.000 0.458 125 D N 0.116 120.448 120.400 -0.113 0.000 2.219 125 D HA -0.095 4.545 4.640 -0.000 0.000 0.205 125 D C 1.987 178.188 176.300 -0.164 0.000 0.970 125 D CA 0.530 54.459 54.000 -0.117 0.000 0.851 125 D CB -0.012 40.728 40.800 -0.100 0.000 0.943 125 D HN 0.081 nan 8.370 nan 0.000 0.488 126 L N -0.097 120.975 121.223 -0.252 0.000 2.201 126 L HA -0.097 4.243 4.340 -0.000 0.000 0.212 126 L C 2.170 178.858 176.870 -0.305 0.000 1.105 126 L CA 0.538 55.190 54.840 -0.314 0.000 0.775 126 L CB -0.235 41.537 42.059 -0.478 0.000 0.913 126 L HN 0.244 nan 8.230 nan 0.000 0.440 127 L N -1.247 119.791 121.223 -0.309 0.000 2.209 127 L HA -0.035 4.305 4.340 -0.000 0.000 0.207 127 L C 2.289 179.079 176.870 -0.133 0.000 1.094 127 L CA 0.612 55.319 54.840 -0.221 0.000 0.790 127 L CB -0.356 41.586 42.059 -0.196 0.000 0.932 127 L HN 0.200 nan 8.230 nan 0.000 0.447 128 E N -0.482 119.648 120.200 -0.115 0.000 2.385 128 E HA -0.010 4.340 4.350 -0.000 0.000 0.194 128 E C -0.060 176.500 176.600 -0.068 0.000 1.013 128 E CA 0.430 56.785 56.400 -0.074 0.000 0.866 128 E CB 0.314 29.979 29.700 -0.057 0.000 0.832 128 E HN 0.231 nan 8.360 nan 0.000 0.500 129 D N 0.195 120.544 120.400 -0.085 0.000 2.575 129 D HA 0.060 4.700 4.640 -0.000 0.000 0.250 129 D C 0.135 176.387 176.300 -0.080 0.000 1.279 129 D CA -0.182 53.777 54.000 -0.069 0.000 0.925 129 D CB 1.275 42.039 40.800 -0.060 0.000 1.261 129 D HN -0.112 nan 8.370 nan 0.000 0.567 130 T N 0.106 114.621 114.554 -0.064 0.000 3.145 130 T HA 0.232 4.582 4.350 -0.000 0.000 0.255 130 T C 0.876 175.546 174.700 -0.050 0.000 1.039 130 T CA -0.072 61.989 62.100 -0.065 0.000 0.928 130 T CB 0.588 69.424 68.868 -0.054 0.000 1.029 130 T HN 0.456 nan 8.240 nan 0.000 0.554 131 E N 0.734 120.908 120.200 -0.043 0.000 2.684 131 E HA 0.114 4.464 4.350 -0.000 0.000 0.204 131 E C -0.383 176.206 176.600 -0.019 0.000 0.900 131 E CA 0.056 56.439 56.400 -0.027 0.000 1.481 131 E CB 0.580 30.268 29.700 -0.020 0.000 1.468 131 E HN 0.313 nan 8.360 nan 0.000 0.778 132 T N 4.784 119.327 114.554 -0.020 0.000 2.829 132 T HA 0.142 4.491 4.350 -0.000 0.000 0.293 132 T C -2.560 172.135 174.700 -0.009 0.000 0.970 132 T CA -0.819 61.278 62.100 -0.006 0.000 1.168 132 T CB 0.899 69.764 68.868 -0.005 0.000 0.911 132 T HN 0.078 nan 8.240 nan 0.000 0.535 133 P HA 0.165 nan 4.420 nan 0.000 0.266 133 P C -0.190 177.099 177.300 -0.018 0.000 1.195 133 P CA -0.130 62.971 63.100 0.001 0.000 0.768 133 P CB 0.378 32.111 31.700 0.055 0.000 0.838 134 I N 2.307 122.848 120.570 -0.047 0.000 2.396 134 I HA 0.147 4.317 4.170 -0.000 0.000 0.292 134 I C 0.917 177.009 176.117 -0.042 0.000 0.999 134 I CA -0.507 60.771 61.300 -0.037 0.000 1.310 134 I CB 0.755 38.722 38.000 -0.055 0.000 1.404 134 I HN 0.306 nan 8.210 nan 0.000 0.496 135 D N 4.379 124.771 120.400 -0.013 0.000 2.423 135 D HA 0.152 4.792 4.640 -0.000 0.000 0.238 135 D C -0.265 176.001 176.300 -0.056 0.000 1.142 135 D CA 0.334 54.316 54.000 -0.029 0.000 0.884 135 D CB 0.827 41.628 40.800 0.001 0.000 1.199 135 D HN 0.629 nan 8.370 nan 0.000 0.438 136 T N -0.895 113.600 114.554 -0.099 0.000 2.901 136 T HA 0.629 4.979 4.350 -0.000 0.000 0.293 136 T C -0.394 174.170 174.700 -0.227 0.000 1.084 136 T CA -0.941 61.066 62.100 -0.155 0.000 1.008 136 T CB 1.495 70.287 68.868 -0.127 0.000 1.170 136 T HN 0.203 nan 8.240 nan 0.000 0.509 137 T N 2.028 116.313 114.554 -0.449 0.000 2.824 137 T HA 0.589 4.939 4.350 -0.000 0.000 0.280 137 T C -0.397 174.065 174.700 -0.395 0.000 0.995 137 T CA -0.612 61.205 62.100 -0.472 0.000 1.009 137 T CB 0.793 69.221 68.868 -0.733 0.000 0.955 137 T HN 0.725 nan 8.240 nan 0.000 0.452 138 I N 4.099 124.585 120.570 -0.140 0.000 2.412 138 I HA 0.559 4.729 4.170 -0.000 0.000 0.296 138 I C -0.952 175.192 176.117 0.044 0.000 0.987 138 I CA -0.797 60.502 61.300 -0.003 0.000 1.180 138 I CB 0.699 38.753 38.000 0.090 0.000 1.340 138 I HN 0.421 nan 8.210 nan 0.000 0.455 139 M N 6.145 125.816 119.600 0.118 0.000 2.593 139 M HA 0.471 4.951 4.480 -0.000 0.000 0.290 139 M C -0.628 175.738 176.300 0.109 0.000 1.244 139 M CA -0.612 54.765 55.300 0.129 0.000 0.857 139 M CB 1.810 34.539 32.600 0.216 0.000 1.738 139 M HN 0.596 nan 8.290 nan 0.000 0.461 140 A N 1.955 124.821 122.820 0.077 0.000 2.362 140 A HA 0.436 4.756 4.320 -0.000 0.000 0.276 140 A C -0.041 177.588 177.584 0.075 0.000 1.153 140 A CA -0.297 51.778 52.037 0.064 0.000 0.813 140 A CB 0.275 19.300 19.000 0.041 0.000 1.081 140 A HN 0.782 nan 8.150 nan 0.000 0.507 141 K N 1.452 121.896 120.400 0.074 0.000 2.154 141 K HA 0.355 4.675 4.320 -0.000 0.000 0.264 141 K C -0.027 176.588 176.600 0.026 0.000 1.008 141 K CA -0.122 56.199 56.287 0.057 0.000 0.937 141 K CB 0.706 33.244 32.500 0.063 0.000 1.002 141 K HN 0.594 nan 8.250 nan 0.000 0.469 142 S N 2.486 118.178 115.700 -0.012 0.000 2.420 142 S HA 0.239 4.709 4.470 -0.000 0.000 0.313 142 S C -1.349 173.144 174.600 -0.179 0.000 1.079 142 S CA -0.591 57.566 58.200 -0.071 0.000 1.104 142 S CB 0.318 63.489 63.200 -0.048 0.000 0.969 142 S HN 0.579 nan 8.310 nan 0.000 0.471 143 E N 2.148 122.188 120.200 -0.266 0.000 2.340 143 E HA 0.448 4.798 4.350 -0.000 0.000 0.273 143 E C -1.176 174.931 176.600 -0.821 0.000 0.891 143 E CA -0.989 55.110 56.400 -0.502 0.000 0.757 143 E CB 2.234 31.675 29.700 -0.432 0.000 1.231 143 E HN 0.496 nan 8.360 nan 0.000 0.439 144 V N 1.079 120.382 119.914 -1.017 0.000 2.483 144 V HA 0.709 4.829 4.120 -0.000 0.000 0.295 144 V C -1.248 174.154 176.094 -1.154 0.000 1.035 144 V CA -0.107 61.569 62.300 -1.039 0.000 0.896 144 V CB 0.330 31.588 31.823 -0.943 0.000 0.986 144 V HN 0.615 nan 8.190 nan 0.000 0.447 145 F N 3.532 123.063 119.950 -0.698 0.000 2.691 145 F HA 0.713 5.240 4.527 -0.000 0.000 0.334 145 F C 0.166 175.735 175.800 -0.386 0.000 1.107 145 F CA -0.724 56.966 58.000 -0.517 0.000 0.991 145 F CB 1.632 40.328 39.000 -0.507 0.000 1.400 145 F HN 0.797 nan 8.300 nan 0.000 0.503 146 C N 2.543 121.908 119.300 0.109 0.000 2.358 146 C HA 0.751 5.211 4.460 -0.000 0.000 0.342 146 C C 0.006 175.179 174.990 0.305 0.000 1.234 146 C CA -0.759 58.359 59.018 0.166 0.000 1.969 146 C CB 0.010 27.812 27.740 0.103 0.000 2.346 146 C HN 0.638 nan 8.230 nan 0.000 0.525 147 V N 4.787 124.913 119.914 0.355 0.000 2.901 147 V HA 0.145 4.265 4.120 -0.000 0.000 0.307 147 V C 0.395 176.569 176.094 0.133 0.000 1.084 147 V CA 0.003 62.461 62.300 0.263 0.000 1.184 147 V CB 0.009 31.907 31.823 0.125 0.000 0.941 147 V HN 1.014 nan 8.190 nan 0.000 0.493 148 Q N 5.292 125.139 119.800 0.078 0.000 2.392 148 Q HA 0.172 4.512 4.340 -0.000 0.000 0.262 148 Q C -1.709 174.299 176.000 0.014 0.000 1.003 148 Q CA -1.339 54.482 55.803 0.029 0.000 0.888 148 Q CB 1.014 29.752 28.738 -0.000 0.000 1.260 148 Q HN 0.766 nan 8.270 nan 0.000 0.435 149 P HA 0.027 nan 4.420 nan 0.000 0.269 149 P C -0.933 176.362 177.300 -0.008 0.000 1.601 149 P CA 0.630 63.729 63.100 -0.001 0.000 0.831 149 P CB 0.238 31.936 31.700 -0.003 0.000 1.688 153 G N 0.634 109.394 108.800 -0.067 0.000 2.358 153 G HA2 0.538 4.498 3.960 -0.000 0.000 0.273 153 G HA3 0.538 4.498 3.960 -0.000 0.000 0.273 153 G C -0.119 174.721 174.900 -0.099 0.000 1.215 153 G CA -0.251 44.808 45.100 -0.068 0.000 0.910 153 G HN 0.318 nan 8.290 nan 0.000 0.467 154 R N 2.088 122.506 120.500 -0.136 0.000 2.575 154 R HA 0.227 4.567 4.340 -0.000 0.000 0.293 154 R C -0.362 175.915 176.300 -0.039 0.000 0.983 154 R CA -0.895 55.092 56.100 -0.189 0.000 0.887 154 R CB 2.650 32.644 30.300 -0.511 0.000 1.184 154 R HN 0.502 nan 8.270 nan 0.000 0.445 155 K N 3.585 124.029 120.400 0.074 0.000 2.401 155 K HA 0.154 4.474 4.320 -0.000 0.000 0.278 155 K C -2.008 174.646 176.600 0.090 0.000 1.018 155 K CA -1.294 54.999 56.287 0.010 0.000 0.981 155 K CB 0.266 32.661 32.500 -0.176 0.000 0.933 155 K HN 0.275 nan 8.250 nan 0.000 0.477 156 P HA 0.010 nan 4.420 nan 0.000 0.272 156 P C -0.733 176.626 177.300 0.098 0.000 1.230 156 P CA -0.411 62.725 63.100 0.061 0.000 0.788 156 P CB 0.556 32.269 31.700 0.022 0.000 0.949 157 A N 2.999 125.877 122.820 0.098 0.000 2.540 157 A HA 0.029 4.349 4.320 -0.000 0.000 0.239 157 A C 0.673 178.311 177.584 0.089 0.000 1.061 157 A CA 0.088 52.188 52.037 0.105 0.000 0.758 157 A CB -0.440 18.605 19.000 0.075 0.000 0.991 157 A HN 0.455 nan 8.150 nan 0.000 0.502 158 R N 0.538 121.106 120.500 0.112 0.000 2.641 158 R HA 0.374 4.714 4.340 -0.000 0.000 0.269 158 R C -0.724 175.631 176.300 0.093 0.000 1.074 158 R CA -0.070 56.094 56.100 0.106 0.000 1.133 158 R CB 0.336 30.712 30.300 0.128 0.000 1.029 158 R HN 0.664 nan 8.270 nan 0.000 0.488 159 L N 4.700 125.980 121.223 0.095 0.000 2.287 159 L HA 0.471 4.810 4.340 -0.000 0.000 0.287 159 L C 0.098 177.054 176.870 0.145 0.000 1.022 159 L CA -0.684 54.214 54.840 0.097 0.000 0.814 159 L CB 1.107 43.199 42.059 0.055 0.000 1.217 159 L HN 0.542 nan 8.230 nan 0.000 0.420 160 I N 1.130 121.803 120.570 0.172 0.000 2.460 160 I HA 0.712 4.882 4.170 -0.000 0.000 0.298 160 I C -0.697 175.585 176.117 0.275 0.000 0.989 160 I CA -0.820 60.620 61.300 0.232 0.000 1.173 160 I CB 1.961 40.108 38.000 0.245 0.000 1.338 160 I HN 0.197 nan 8.210 nan 0.000 0.456 161 V N 6.775 126.857 119.914 0.280 0.000 2.483 161 V HA 0.604 4.724 4.120 -0.000 0.000 0.297 161 V C -0.656 175.599 176.094 0.267 0.000 1.027 161 V CA -0.389 62.021 62.300 0.185 0.000 0.855 161 V CB 1.217 33.131 31.823 0.152 0.000 0.995 161 V HN 0.755 nan 8.190 nan 0.000 0.424 162 F N 4.786 124.786 119.950 0.082 0.000 2.619 162 F HA 0.949 5.476 4.527 -0.000 0.000 0.308 162 F C -3.091 172.752 175.800 0.071 0.000 1.097 162 F CA -2.427 55.623 58.000 0.082 0.000 0.953 162 F CB 1.820 40.867 39.000 0.077 0.000 1.287 162 F HN 0.313 nan 8.300 nan 0.000 0.446 163 P HA 0.204 nan 4.420 nan 0.000 0.284 163 P C -1.081 176.346 177.300 0.211 0.000 1.292 163 P CA -0.173 62.991 63.100 0.106 0.000 0.800 163 P CB 1.154 32.917 31.700 0.107 0.000 1.188 164 D N -0.902 119.600 120.400 0.170 0.000 2.400 164 D HA -0.060 4.580 4.640 -0.000 0.000 0.238 164 D C 1.365 177.802 176.300 0.228 0.000 1.157 164 D CA -0.258 53.871 54.000 0.215 0.000 0.889 164 D CB 0.269 41.227 40.800 0.262 0.000 1.199 164 D HN 0.120 nan 8.370 nan 0.000 0.436 165 L N 3.335 124.677 121.223 0.198 0.000 2.089 165 L HA -0.048 4.291 4.340 -0.000 0.000 0.213 165 L C 1.962 178.976 176.870 0.241 0.000 1.079 165 L CA 2.572 57.518 54.840 0.176 0.000 0.758 165 L CB -1.035 41.078 42.059 0.091 0.000 0.891 165 L HN 0.644 nan 8.230 nan 0.000 0.433 166 G N -1.262 107.735 108.800 0.328 0.000 2.418 166 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 166 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 166 G C 1.519 176.505 174.900 0.143 0.000 1.158 166 G CA 1.001 46.281 45.100 0.300 0.000 0.771 166 G HN 0.347 nan 8.290 nan 0.000 0.545 167 V N 0.800 120.797 119.914 0.137 0.000 2.407 167 V HA -0.171 3.949 4.120 -0.000 0.000 0.248 167 V C 2.932 179.103 176.094 0.129 0.000 1.055 167 V CA 1.898 64.258 62.300 0.101 0.000 1.049 167 V CB -0.464 31.410 31.823 0.085 0.000 0.662 167 V HN 0.327 nan 8.190 nan 0.000 0.455 168 R N -0.287 120.303 120.500 0.150 0.000 2.081 168 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 168 R C 2.225 178.599 176.300 0.124 0.000 1.131 168 R CA 1.479 57.667 56.100 0.146 0.000 0.960 168 R CB -0.606 29.779 30.300 0.142 0.000 0.856 168 R HN 0.437 nan 8.270 nan 0.000 0.436 169 V N 0.402 120.384 119.914 0.113 0.000 2.427 169 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 169 V C 2.476 178.625 176.094 0.091 0.000 1.051 169 V CA 1.474 63.819 62.300 0.075 0.000 1.048 169 V CB -0.489 31.369 31.823 0.058 0.000 0.666 169 V HN 0.441 nan 8.190 nan 0.000 0.456 170 C N -0.189 119.201 119.300 0.150 0.000 2.425 170 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 170 C C 2.684 177.854 174.990 0.300 0.000 1.280 170 C CA 0.816 60.004 59.018 0.282 0.000 1.744 170 C CB -0.928 27.014 27.740 0.338 0.000 1.989 170 C HN 0.612 nan 8.230 nan 0.000 0.491 171 E N 0.804 121.132 120.200 0.214 0.000 2.085 171 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 171 E C 2.163 178.890 176.600 0.211 0.000 0.994 171 E CA 1.245 57.779 56.400 0.225 0.000 0.801 171 E CB -0.115 29.722 29.700 0.229 0.000 0.743 171 E HN 0.624 nan 8.360 nan 0.000 0.453 172 K N 0.196 120.695 120.400 0.165 0.000 2.063 172 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 172 K C 2.188 178.863 176.600 0.125 0.000 1.048 172 K CA 1.474 57.846 56.287 0.143 0.000 0.928 172 K CB -0.115 32.399 32.500 0.024 0.000 0.713 172 K HN 0.143 nan 8.250 nan 0.000 0.442 173 M N 0.065 119.707 119.600 0.070 0.000 2.117 173 M HA -0.141 4.339 4.480 -0.000 0.000 0.262 173 M C 2.414 178.763 176.300 0.082 0.000 1.065 173 M CA 1.634 56.911 55.300 -0.040 0.000 1.114 173 M CB -0.287 32.116 32.600 -0.328 0.000 1.361 173 M HN 0.217 nan 8.290 nan 0.000 0.408 174 A N -0.477 122.510 122.820 0.278 0.000 1.975 174 A HA 0.074 4.393 4.320 -0.000 0.000 0.215 174 A C 1.835 179.519 177.584 0.165 0.000 1.170 174 A CA 1.076 53.309 52.037 0.327 0.000 0.656 174 A CB -0.133 19.101 19.000 0.390 0.000 0.821 174 A HN 0.485 nan 8.150 nan 0.000 0.449 175 L N -3.129 118.178 121.223 0.142 0.000 3.039 175 L HA 0.200 4.540 4.340 -0.000 0.000 0.269 175 L C 1.808 178.709 176.870 0.052 0.000 1.169 175 L CA 0.029 54.893 54.840 0.040 0.000 0.986 175 L CB 0.114 42.180 42.059 0.011 0.000 1.377 175 L HN 0.455 nan 8.230 nan 0.000 0.575 176 Y N 1.340 121.657 120.300 0.028 0.000 2.145 176 Y HA -0.309 4.241 4.550 -0.000 0.000 0.286 176 Y C 2.221 178.152 175.900 0.052 0.000 1.145 176 Y CA 2.244 60.376 58.100 0.053 0.000 1.148 176 Y CB 0.130 38.612 38.460 0.038 0.000 0.981 176 Y HN 0.209 nan 8.280 nan 0.000 0.507 177 D N -0.646 119.789 120.400 0.058 0.000 2.117 177 D HA -0.162 4.477 4.640 -0.000 0.000 0.198 177 D C 2.223 178.460 176.300 -0.105 0.000 0.982 177 D CA 1.458 55.439 54.000 -0.031 0.000 0.828 177 D CB -0.225 40.605 40.800 0.049 0.000 0.967 177 D HN 0.262 nan 8.370 nan 0.000 0.464 178 V N 0.604 120.457 119.914 -0.100 0.000 2.255 178 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 178 V C 2.705 178.678 176.094 -0.201 0.000 1.051 178 V CA 1.933 64.142 62.300 -0.151 0.000 1.018 178 V CB -0.794 30.893 31.823 -0.227 0.000 0.641 178 V HN 0.328 nan 8.190 nan 0.000 0.445 179 V N -2.610 117.166 119.914 -0.230 0.000 2.970 179 V HA -0.061 4.059 4.120 -0.000 0.000 0.260 179 V C 2.024 177.966 176.094 -0.254 0.000 1.100 179 V CA 1.913 64.074 62.300 -0.232 0.000 1.122 179 V CB -0.391 31.321 31.823 -0.186 0.000 0.721 179 V HN 0.457 nan 8.190 nan 0.000 0.483 180 S N 0.078 115.621 115.700 -0.261 0.000 2.470 180 S HA 0.019 4.489 4.470 -0.000 0.000 0.225 180 S C 1.801 176.318 174.600 -0.139 0.000 1.006 180 S CA 1.384 59.460 58.200 -0.206 0.000 0.934 180 S CB 0.076 63.103 63.200 -0.288 0.000 0.778 180 S HN 0.767 nan 8.310 nan 0.000 0.517 181 T N 1.171 115.634 114.554 -0.152 0.000 3.098 181 T HA 0.274 4.624 4.350 -0.000 0.000 0.246 181 T C 1.607 176.216 174.700 -0.152 0.000 0.983 181 T CA -0.155 61.875 62.100 -0.117 0.000 1.094 181 T CB -0.207 68.612 68.868 -0.080 0.000 1.035 181 T HN 0.166 nan 8.240 nan 0.000 0.456 182 L N 2.186 123.315 121.223 -0.157 0.000 2.042 182 L HA -0.006 4.334 4.340 -0.000 0.000 0.210 182 L C -1.091 175.630 176.870 -0.248 0.000 1.076 182 L CA 1.739 56.490 54.840 -0.148 0.000 0.749 182 L CB -0.714 41.302 42.059 -0.071 0.000 0.893 182 L HN 0.142 nan 8.230 nan 0.000 0.432 183 P HA -0.219 nan 4.420 nan 0.000 0.216 183 P C 1.302 178.195 177.300 -0.677 0.000 1.153 183 P CA 1.397 64.085 63.100 -0.686 0.000 0.848 183 P CB -0.033 30.913 31.700 -1.257 0.000 0.787 184 Q N -0.439 119.038 119.800 -0.540 0.000 2.119 184 Q HA -0.139 4.201 4.340 -0.000 0.000 0.201 184 Q C 1.988 177.874 176.000 -0.191 0.000 0.972 184 Q CA 1.609 57.265 55.803 -0.245 0.000 0.847 184 Q CB -0.617 28.069 28.738 -0.087 0.000 0.903 184 Q HN 0.074 nan 8.270 nan 0.000 0.433 185 A N -0.369 122.341 122.820 -0.183 0.000 1.933 185 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 185 A C 2.074 179.575 177.584 -0.139 0.000 1.175 185 A CA 1.529 53.490 52.037 -0.127 0.000 0.628 185 A CB -0.367 18.571 19.000 -0.103 0.000 0.814 185 A HN 0.306 nan 8.150 nan 0.000 0.444 186 V N -1.082 118.713 119.914 -0.199 0.000 2.500 186 V HA -0.050 4.070 4.120 -0.000 0.000 0.243 186 V C 2.277 178.202 176.094 -0.281 0.000 1.039 186 V CA 1.816 63.992 62.300 -0.207 0.000 1.053 186 V CB -0.375 31.313 31.823 -0.224 0.000 0.695 186 V HN 0.547 nan 8.190 nan 0.000 0.463 187 M N -0.926 118.441 119.600 -0.387 0.000 2.337 187 M HA 0.360 4.840 4.480 -0.000 0.000 0.256 187 M C 1.462 177.628 176.300 -0.223 0.000 1.075 187 M CA 0.719 55.693 55.300 -0.543 0.000 1.024 187 M CB 0.518 32.660 32.600 -0.764 0.000 1.429 187 M HN 0.466 nan 8.290 nan 0.000 0.497 188 G N 1.753 110.464 108.800 -0.147 0.000 2.634 188 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.309 188 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.309 188 G C 0.817 175.671 174.900 -0.077 0.000 1.265 188 G CA 0.921 45.976 45.100 -0.075 0.000 0.998 188 G HN 0.543 nan 8.290 nan 0.000 0.551 189 S N -0.655 115.018 115.700 -0.044 0.000 2.547 189 S HA 0.137 4.607 4.470 -0.000 0.000 0.235 189 S C 2.096 176.560 174.600 -0.226 0.000 0.980 189 S CA 1.840 59.952 58.200 -0.146 0.000 0.941 189 S CB 0.041 63.231 63.200 -0.017 0.000 0.763 189 S HN 0.910 nan 8.310 nan 0.000 0.532 190 S N 0.190 115.877 115.700 -0.021 0.000 2.527 190 S HA 0.178 4.648 4.470 -0.000 0.000 0.222 190 S C 0.087 174.713 174.600 0.044 0.000 0.985 190 S CA -0.302 57.949 58.200 0.085 0.000 0.921 190 S CB -0.329 63.037 63.200 0.275 0.000 0.772 190 S HN 0.704 nan 8.310 nan 0.000 0.529 191 Y N 2.964 123.146 120.300 -0.197 0.000 2.539 191 Y HA 0.471 5.021 4.550 -0.000 0.000 0.352 191 Y C 1.274 176.996 175.900 -0.296 0.000 1.004 191 Y CA -1.437 56.523 58.100 -0.233 0.000 1.278 191 Y CB -0.058 38.258 38.460 -0.240 0.000 1.136 191 Y HN 0.074 nan 8.280 nan 0.000 0.528 192 G N 4.796 113.216 108.800 -0.633 0.000 2.440 192 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.218 192 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.218 192 G C 1.278 175.683 174.900 -0.825 0.000 1.154 192 G CA 0.523 45.250 45.100 -0.622 0.000 0.767 192 G HN 0.719 nan 8.290 nan 0.000 0.552 193 F N 1.620 120.899 119.950 -1.118 0.000 2.641 193 F HA -0.032 4.495 4.527 -0.000 0.000 0.298 193 F C 2.936 178.512 175.800 -0.373 0.000 1.146 193 F CA 1.121 58.570 58.000 -0.918 0.000 1.464 193 F CB -0.003 38.441 39.000 -0.927 0.000 1.101 193 F HN 0.336 nan 8.300 nan 0.000 0.585 194 Q N -0.273 119.274 119.800 -0.421 0.000 2.435 194 Q HA -0.087 4.253 4.340 -0.000 0.000 0.207 194 Q C -0.385 175.498 176.000 -0.194 0.000 0.956 194 Q CA 0.764 56.419 55.803 -0.246 0.000 0.917 194 Q CB -0.411 28.062 28.738 -0.442 0.000 0.997 194 Q HN 0.418 nan 8.270 nan 0.000 0.497 195 Y N 2.137 122.441 120.300 0.006 0.000 2.320 195 Y HA 0.253 4.803 4.550 -0.000 0.000 0.334 195 Y C 0.676 176.429 175.900 -0.245 0.000 1.055 195 Y CA -1.040 57.005 58.100 -0.092 0.000 1.143 195 Y CB 1.346 39.714 38.460 -0.153 0.000 1.193 195 Y HN 0.087 nan 8.280 nan 0.000 0.477 196 S N 2.661 118.085 115.700 -0.460 0.000 2.600 196 S HA 0.163 4.633 4.470 -0.000 0.000 0.265 196 S C -2.031 172.263 174.600 -0.511 0.000 1.325 196 S CA -1.120 56.389 58.200 -1.152 0.000 1.002 196 S CB 1.189 63.788 63.200 -1.002 0.000 0.921 196 S HN 0.434 nan 8.310 nan 0.000 0.554 197 P HA -0.146 nan 4.420 nan 0.000 0.215 197 P C 1.417 178.623 177.300 -0.158 0.000 1.157 197 P CA 1.436 64.406 63.100 -0.218 0.000 0.874 197 P CB 0.030 31.651 31.700 -0.131 0.000 0.790 198 K N -0.267 119.997 120.400 -0.226 0.000 2.147 198 K HA -0.195 4.125 4.320 -0.000 0.000 0.205 198 K C 2.103 178.635 176.600 -0.114 0.000 1.049 198 K CA 1.418 57.634 56.287 -0.118 0.000 0.936 198 K CB -0.179 32.238 32.500 -0.139 0.000 0.722 198 K HN 0.130 nan 8.250 nan 0.000 0.446 199 Q N -0.244 119.470 119.800 -0.144 0.000 2.137 199 Q HA -0.092 4.248 4.340 -0.000 0.000 0.198 199 Q C 2.158 178.003 176.000 -0.258 0.000 0.960 199 Q CA 1.047 56.789 55.803 -0.101 0.000 0.847 199 Q CB -0.022 28.746 28.738 0.049 0.000 0.915 199 Q HN 0.252 nan 8.270 nan 0.000 0.448 200 R N 0.493 120.844 120.500 -0.248 0.000 2.073 200 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 200 R C 2.252 178.422 176.300 -0.216 0.000 1.134 200 R CA 1.400 57.303 56.100 -0.329 0.000 0.952 200 R CB -0.436 29.785 30.300 -0.132 0.000 0.850 200 R HN 0.234 nan 8.270 nan 0.000 0.433 201 V N 1.297 121.125 119.914 -0.143 0.000 2.343 201 V HA -0.221 3.899 4.120 -0.000 0.000 0.247 201 V C 2.161 178.152 176.094 -0.170 0.000 1.051 201 V CA 2.484 64.707 62.300 -0.128 0.000 1.036 201 V CB -0.376 31.413 31.823 -0.058 0.000 0.654 201 V HN 0.556 nan 8.190 nan 0.000 0.451 202 E N -0.784 119.330 120.200 -0.142 0.000 2.085 202 E HA -0.299 4.051 4.350 -0.000 0.000 0.194 202 E C 2.097 178.615 176.600 -0.138 0.000 0.994 202 E CA 2.032 58.352 56.400 -0.134 0.000 0.801 202 E CB -0.462 29.192 29.700 -0.076 0.000 0.743 202 E HN 0.728 nan 8.360 nan 0.000 0.453 203 F N 0.982 120.736 119.950 -0.326 0.000 2.186 203 F HA -0.125 4.402 4.527 -0.000 0.000 0.299 203 F C 1.953 177.612 175.800 -0.235 0.000 1.090 203 F CA 1.027 58.831 58.000 -0.326 0.000 1.307 203 F CB 0.049 38.680 39.000 -0.614 0.000 1.019 203 F HN 0.010 nan 8.300 nan 0.000 0.489 204 L N -0.689 120.388 121.223 -0.243 0.000 2.027 204 L HA -0.206 4.133 4.340 -0.000 0.000 0.206 204 L C 2.368 179.083 176.870 -0.258 0.000 1.074 204 L CA 1.031 55.715 54.840 -0.260 0.000 0.745 204 L CB -0.784 41.168 42.059 -0.179 0.000 0.898 204 L HN -0.011 nan 8.230 nan 0.000 0.433 205 V N 0.104 119.842 119.914 -0.294 0.000 2.407 205 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 205 V C 2.160 178.131 176.094 -0.205 0.000 1.055 205 V CA 1.719 63.820 62.300 -0.332 0.000 1.049 205 V CB -0.678 30.770 31.823 -0.624 0.000 0.662 205 V HN 0.471 nan 8.190 nan 0.000 0.455 206 N N -0.031 118.530 118.700 -0.230 0.000 2.188 206 N HA -0.116 4.624 4.740 -0.000 0.000 0.184 206 N C 1.931 177.313 175.510 -0.214 0.000 1.018 206 N CA 1.789 54.727 53.050 -0.187 0.000 0.858 206 N CB -0.627 37.763 38.487 -0.162 0.000 0.989 206 N HN 0.428 nan 8.380 nan 0.000 0.426 207 T N 0.543 114.882 114.554 -0.357 0.000 2.708 207 T HA -0.158 4.192 4.350 -0.000 0.000 0.266 207 T C 1.493 176.104 174.700 -0.148 0.000 1.037 207 T CA 0.732 62.624 62.100 -0.346 0.000 1.146 207 T CB -0.290 68.255 68.868 -0.539 0.000 0.865 207 T HN 0.401 nan 8.240 nan 0.000 0.435 208 W N 2.213 123.354 121.300 -0.265 0.000 2.317 208 W HA -0.202 4.458 4.660 0.000 0.000 0.318 208 W C 1.984 178.422 176.519 -0.135 0.000 1.227 208 W CA 1.574 58.810 57.345 -0.182 0.000 1.269 208 W CB -0.246 29.109 29.460 -0.175 0.000 1.155 208 W HN 0.267 nan 8.180 nan 0.000 0.484 209 K N 0.195 120.612 120.400 0.030 0.000 2.283 209 K HA -0.138 4.182 4.320 -0.000 0.000 0.202 209 K C 2.043 178.584 176.600 -0.098 0.000 1.048 209 K CA 1.624 57.892 56.287 -0.031 0.000 0.948 209 K CB -0.375 32.127 32.500 0.004 0.000 0.742 209 K HN 0.081 nan 8.250 nan 0.000 0.458 210 S N 0.415 116.043 115.700 -0.120 0.000 2.515 210 S HA -0.005 4.465 4.470 -0.000 0.000 0.231 210 S C 0.463 174.982 174.600 -0.135 0.000 0.987 210 S CA 0.424 58.556 58.200 -0.113 0.000 0.936 210 S CB 0.020 63.154 63.200 -0.111 0.000 0.766 210 S HN -0.042 nan 8.310 nan 0.000 0.528 211 K N 2.220 122.499 120.400 -0.201 0.000 2.201 211 K HA 0.369 4.689 4.320 -0.000 0.000 0.278 211 K C 0.881 177.368 176.600 -0.188 0.000 1.027 211 K CA -0.517 55.639 56.287 -0.218 0.000 0.909 211 K CB 1.318 33.617 32.500 -0.335 0.000 1.062 211 K HN 0.158 nan 8.250 nan 0.000 0.465 212 K N 1.386 121.707 120.400 -0.131 0.000 2.020 212 K HA -0.165 4.155 4.320 -0.000 0.000 0.212 212 K C -0.147 176.383 176.600 -0.117 0.000 1.050 212 K CA 1.472 57.699 56.287 -0.100 0.000 0.929 212 K CB 0.031 32.488 32.500 -0.071 0.000 0.714 212 K HN 0.527 nan 8.250 nan 0.000 0.443 213 C N 2.688 121.904 119.300 -0.139 0.000 2.801 213 C HA 0.480 4.940 4.460 -0.000 0.000 0.296 213 C C -2.758 172.103 174.990 -0.215 0.000 1.054 213 C CA -2.414 56.520 59.018 -0.139 0.000 1.442 213 C CB 0.856 28.553 27.740 -0.073 0.000 1.860 213 C HN 0.314 nan 8.230 nan 0.000 0.459 214 P HA 0.191 nan 4.420 nan 0.000 0.271 214 P C -0.602 176.374 177.300 -0.541 0.000 1.216 214 P CA 0.296 62.916 63.100 -0.801 0.000 0.771 214 P CB 0.860 31.386 31.700 -1.956 0.000 0.864 215 M N 2.754 122.131 119.600 -0.372 0.000 2.395 215 M HA 0.655 5.135 4.480 -0.000 0.000 0.307 215 M C -0.862 175.379 176.300 -0.097 0.000 1.091 215 M CA -0.332 54.836 55.300 -0.221 0.000 0.919 215 M CB 2.391 34.922 32.600 -0.116 0.000 1.662 215 M HN 0.527 nan 8.290 nan 0.000 0.440 216 G N 4.038 112.883 108.800 0.075 0.000 2.612 216 G HA2 0.825 4.785 3.960 -0.000 0.000 0.298 216 G HA3 0.825 4.785 3.960 -0.000 0.000 0.298 216 G C -2.012 172.974 174.900 0.143 0.000 1.336 216 G CA -0.603 44.586 45.100 0.148 0.000 0.953 216 G HN 0.791 nan 8.290 nan 0.000 0.482 217 F N -0.054 119.859 119.950 -0.060 0.000 2.635 217 F HA 0.716 5.243 4.527 -0.000 0.000 0.314 217 F C -0.154 175.621 175.800 -0.040 0.000 1.119 217 F CA -1.381 56.575 58.000 -0.072 0.000 1.000 217 F CB 1.053 39.985 39.000 -0.113 0.000 1.278 217 F HN 0.641 nan 8.300 nan 0.000 0.446 218 S N 2.031 117.793 115.700 0.103 0.000 2.617 218 S HA 0.615 5.085 4.470 -0.000 0.000 0.269 218 S C -1.354 173.425 174.600 0.298 0.000 1.292 218 S CA -0.488 57.764 58.200 0.087 0.000 1.010 218 S CB 1.562 64.795 63.200 0.055 0.000 0.944 218 S HN 0.914 nan 8.310 nan 0.000 0.536 219 Y N 0.682 121.070 120.300 0.147 0.000 2.346 219 Y HA 0.442 4.992 4.550 0.000 0.000 0.332 219 Y C -1.361 174.650 175.900 0.185 0.000 0.985 219 Y CA -0.848 57.396 58.100 0.241 0.000 1.112 219 Y CB 1.708 40.404 38.460 0.392 0.000 1.170 219 Y HN 0.862 nan 8.280 nan 0.000 0.447 220 D N 4.396 124.602 120.400 -0.324 0.000 2.454 220 D HA 0.259 4.899 4.640 -0.000 0.000 0.225 220 D C -0.889 175.255 176.300 -0.260 0.000 1.081 220 D CA -0.114 53.781 54.000 -0.174 0.000 0.864 220 D CB 0.989 41.723 40.800 -0.110 0.000 1.040 220 D HN 0.471 nan 8.370 nan 0.000 0.517 221 T N 3.520 118.089 114.554 0.023 0.000 2.814 221 T HA 0.132 4.482 4.350 -0.000 0.000 0.297 221 T C 0.509 175.298 174.700 0.149 0.000 0.956 221 T CA -0.419 61.783 62.100 0.170 0.000 1.123 221 T CB 0.653 69.846 68.868 0.541 0.000 0.902 221 T HN 0.299 nan 8.240 nan 0.000 0.528 222 R N 2.315 122.864 120.500 0.083 0.000 2.404 222 R HA 0.150 4.490 4.340 -0.000 0.000 0.315 222 R C -0.140 176.271 176.300 0.185 0.000 1.032 222 R CA -0.206 55.944 56.100 0.084 0.000 0.992 222 R CB -0.677 29.622 30.300 -0.002 0.000 0.959 222 R HN 0.936 nan 8.270 nan 0.000 0.428 223 C N 5.412 124.849 119.300 0.228 0.000 3.896 223 C HA -0.164 4.296 4.460 -0.000 0.000 0.300 223 C C 1.352 176.549 174.990 0.345 0.000 1.322 223 C CA 0.163 59.363 59.018 0.303 0.000 2.130 223 C CB -3.055 24.920 27.740 0.392 0.000 1.363 223 C HN 1.041 nan 8.230 nan 0.000 0.642 224 F N 2.019 122.087 119.950 0.195 0.000 2.063 224 F HA -0.239 4.287 4.527 -0.000 0.000 0.298 224 F C 1.980 177.890 175.800 0.183 0.000 1.105 224 F CA 2.544 60.659 58.000 0.192 0.000 1.215 224 F CB -0.044 39.058 39.000 0.170 0.000 0.972 224 F HN 0.464 nan 8.300 nan 0.000 0.483 225 D N -0.385 120.254 120.400 0.399 0.000 2.149 225 D HA -0.187 4.453 4.640 -0.000 0.000 0.194 225 D C 2.433 178.801 176.300 0.113 0.000 1.001 225 D CA 1.771 55.928 54.000 0.262 0.000 0.849 225 D CB -0.575 40.383 40.800 0.263 0.000 0.939 225 D HN 0.269 nan 8.370 nan 0.000 0.449 226 S N -0.708 115.070 115.700 0.131 0.000 2.453 226 S HA -0.095 4.375 4.470 -0.000 0.000 0.231 226 S C 1.996 176.554 174.600 -0.071 0.000 1.005 226 S CA 1.329 59.508 58.200 -0.035 0.000 0.949 226 S CB -0.165 62.972 63.200 -0.105 0.000 0.774 226 S HN 0.538 nan 8.310 nan 0.000 0.510 227 T N -0.448 114.135 114.554 0.049 0.000 3.088 227 T HA 0.142 4.492 4.350 -0.000 0.000 0.259 227 T C 0.549 175.173 174.700 -0.127 0.000 1.122 227 T CA -0.020 62.097 62.100 0.029 0.000 1.095 227 T CB -0.372 68.487 68.868 -0.015 0.000 0.930 227 T HN 0.019 nan 8.240 nan 0.000 0.508 228 V N 4.210 124.020 119.914 -0.174 0.000 2.446 228 V HA 0.286 4.406 4.120 -0.000 0.000 0.276 228 V C 1.200 177.248 176.094 -0.078 0.000 1.030 228 V CA -0.207 62.015 62.300 -0.129 0.000 1.033 228 V CB -0.121 31.668 31.823 -0.056 0.000 0.993 228 V HN 0.719 nan 8.190 nan 0.000 0.477 229 T N 1.379 115.900 114.554 -0.056 0.000 2.881 229 T HA 0.335 4.685 4.350 -0.000 0.000 0.278 229 T C 0.984 175.668 174.700 -0.027 0.000 0.982 229 T CA -0.585 61.487 62.100 -0.046 0.000 0.989 229 T CB 1.287 70.132 68.868 -0.037 0.000 1.058 229 T HN 0.575 nan 8.240 nan 0.000 0.529 230 E N 0.523 120.708 120.200 -0.025 0.000 2.085 230 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 230 E C 2.340 178.940 176.600 0.001 0.000 0.994 230 E CA 1.402 57.799 56.400 -0.006 0.000 0.801 230 E CB -0.455 29.240 29.700 -0.008 0.000 0.743 230 E HN 0.654 nan 8.360 nan 0.000 0.453 231 S N 0.572 116.267 115.700 -0.008 0.000 2.359 231 S HA -0.232 4.238 4.470 -0.000 0.000 0.224 231 S C 1.505 176.112 174.600 0.013 0.000 1.035 231 S CA 1.677 59.876 58.200 -0.003 0.000 1.018 231 S CB -0.391 62.797 63.200 -0.021 0.000 0.876 231 S HN 0.157 nan 8.310 nan 0.000 0.448 232 D N 1.104 121.511 120.400 0.012 0.000 2.133 232 D HA -0.080 4.560 4.640 -0.000 0.000 0.195 232 D C 1.859 178.166 176.300 0.011 0.000 0.997 232 D CA 1.330 55.348 54.000 0.031 0.000 0.840 232 D CB -0.420 40.392 40.800 0.019 0.000 0.947 232 D HN 0.498 nan 8.370 nan 0.000 0.452 233 I N 0.337 120.914 120.570 0.012 0.000 2.353 233 I HA -0.168 4.002 4.170 -0.000 0.000 0.248 233 I C 2.420 178.542 176.117 0.008 0.000 1.119 233 I CA 0.773 62.085 61.300 0.020 0.000 1.417 233 I CB -0.013 38.022 38.000 0.060 0.000 1.078 233 I HN -0.110 nan 8.210 nan 0.000 0.421 234 R N -0.075 120.432 120.500 0.012 0.000 2.090 234 R HA -0.067 4.273 4.340 -0.000 0.000 0.228 234 R C 2.292 178.574 176.300 -0.030 0.000 1.110 234 R CA 0.889 56.992 56.100 0.005 0.000 0.973 234 R CB -0.294 30.014 30.300 0.013 0.000 0.869 234 R HN 0.183 nan 8.270 nan 0.000 0.440 235 V N 1.275 121.171 119.914 -0.029 0.000 2.427 235 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 235 V C 2.303 178.308 176.094 -0.149 0.000 1.051 235 V CA 1.798 64.069 62.300 -0.048 0.000 1.048 235 V CB -0.387 31.445 31.823 0.016 0.000 0.666 235 V HN 0.386 nan 8.190 nan 0.000 0.456 236 E N 0.103 120.183 120.200 -0.200 0.000 2.058 236 E HA -0.302 4.048 4.350 -0.000 0.000 0.194 236 E C 2.299 178.441 176.600 -0.763 0.000 0.997 236 E CA 1.741 57.870 56.400 -0.451 0.000 0.801 236 E CB -0.160 29.326 29.700 -0.357 0.000 0.746 236 E HN 0.691 nan 8.360 nan 0.000 0.450 237 E N 0.169 120.134 120.200 -0.393 0.000 2.110 237 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 237 E C 2.126 178.663 176.600 -0.105 0.000 0.988 237 E CA 1.444 57.746 56.400 -0.164 0.000 0.804 237 E CB -0.109 29.625 29.700 0.056 0.000 0.745 237 E HN 0.300 nan 8.360 nan 0.000 0.458 238 S N 0.345 115.979 115.700 -0.110 0.000 2.399 238 S HA -0.156 4.314 4.470 -0.000 0.000 0.231 238 S C 2.055 176.613 174.600 -0.069 0.000 1.022 238 S CA 1.023 59.188 58.200 -0.058 0.000 0.983 238 S CB -0.516 62.655 63.200 -0.048 0.000 0.803 238 S HN 0.319 nan 8.310 nan 0.000 0.480 239 I N 0.135 120.613 120.570 -0.154 0.000 2.163 239 I HA -0.144 4.026 4.170 -0.000 0.000 0.240 239 I C 2.409 178.527 176.117 0.001 0.000 1.081 239 I CA 1.452 62.679 61.300 -0.121 0.000 1.353 239 I CB -0.610 37.270 38.000 -0.201 0.000 1.054 239 I HN 0.229 nan 8.210 nan 0.000 0.407 240 Y N 1.224 121.512 120.300 -0.019 0.000 2.114 240 Y HA -0.278 4.272 4.550 -0.000 0.000 0.282 240 Y C 2.675 178.575 175.900 0.000 0.000 1.165 240 Y CA 0.872 58.966 58.100 -0.011 0.000 1.148 240 Y CB -1.199 37.267 38.460 0.009 0.000 0.972 240 Y HN 0.286 nan 8.280 nan 0.000 0.504 241 Q N -1.296 118.600 119.800 0.160 0.000 2.437 241 Q HA -0.117 4.223 4.340 -0.000 0.000 0.210 241 Q C 2.191 178.226 176.000 0.058 0.000 0.972 241 Q CA 0.936 56.796 55.803 0.095 0.000 0.903 241 Q CB -0.659 28.119 28.738 0.067 0.000 0.967 241 Q HN 0.523 nan 8.270 nan 0.000 0.486 242 C N -0.035 119.294 119.300 0.048 0.000 2.500 242 C HA 0.031 4.491 4.460 -0.000 0.000 0.273 242 C C 1.454 176.461 174.990 0.028 0.000 1.428 242 C CA -0.833 58.201 59.018 0.026 0.000 1.766 242 C CB -0.759 26.987 27.740 0.010 0.000 1.817 242 C HN 0.381 nan 8.230 nan 0.000 0.543 243 C N 2.092 121.418 119.300 0.042 0.000 2.652 243 C HA 0.115 4.575 4.460 -0.000 0.000 0.412 243 C C 0.687 175.694 174.990 0.028 0.000 1.294 243 C CA -0.454 58.582 59.018 0.031 0.000 2.127 243 C CB -0.327 27.434 27.740 0.035 0.000 2.691 243 C HN 0.523 nan 8.230 nan 0.000 0.615 244 D N 1.714 122.126 120.400 0.020 0.000 2.417 244 D HA 0.323 4.963 4.640 -0.000 0.000 0.250 244 D C -0.874 175.442 176.300 0.027 0.000 1.166 244 D CA 0.493 54.505 54.000 0.021 0.000 0.881 244 D CB 0.446 41.255 40.800 0.015 0.000 1.164 244 D HN 0.425 nan 8.370 nan 0.000 0.467 245 L N 2.361 123.605 121.223 0.034 0.000 2.422 245 L HA 0.464 4.804 4.340 -0.000 0.000 0.264 245 L C 0.174 177.073 176.870 0.048 0.000 0.984 245 L CA -1.091 53.776 54.840 0.044 0.000 0.819 245 L CB 1.946 44.037 42.059 0.054 0.000 1.330 245 L HN 0.414 nan 8.230 nan 0.000 0.410 246 A N 2.942 125.797 122.820 0.058 0.000 2.520 246 A HA 0.293 4.613 4.320 -0.000 0.000 0.235 246 A C -1.767 175.862 177.584 0.075 0.000 1.065 246 A CA -0.644 51.432 52.037 0.064 0.000 0.764 246 A CB -0.215 18.831 19.000 0.076 0.000 1.002 246 A HN 0.637 nan 8.150 nan 0.000 0.502 247 P HA -0.183 nan 4.420 nan 0.000 0.215 247 P C 1.010 178.351 177.300 0.068 0.000 1.157 247 P CA 1.756 64.889 63.100 0.055 0.000 0.874 247 P CB 0.089 31.816 31.700 0.044 0.000 0.790 248 E N -0.647 119.623 120.200 0.117 0.000 2.204 248 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 248 E C 2.057 178.769 176.600 0.187 0.000 0.989 248 E CA 1.010 57.506 56.400 0.161 0.000 0.824 248 E CB -0.458 29.452 29.700 0.350 0.000 0.756 248 E HN 0.182 nan 8.360 nan 0.000 0.477 249 A N 1.515 124.474 122.820 0.232 0.000 1.898 249 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 249 A C 2.101 179.745 177.584 0.101 0.000 1.181 249 A CA 1.216 53.387 52.037 0.223 0.000 0.620 249 A CB -0.354 18.756 19.000 0.182 0.000 0.819 249 A HN 0.052 nan 8.150 nan 0.000 0.442 250 R N -0.991 119.552 120.500 0.071 0.000 2.081 250 R HA -0.203 4.137 4.340 -0.000 0.000 0.235 250 R C 2.440 178.746 176.300 0.010 0.000 1.131 250 R CA 1.903 58.030 56.100 0.046 0.000 0.960 250 R CB -0.188 30.136 30.300 0.040 0.000 0.856 250 R HN 0.568 nan 8.270 nan 0.000 0.436 251 Q N 0.112 119.896 119.800 -0.026 0.000 2.083 251 Q HA -0.022 4.317 4.340 -0.000 0.000 0.198 251 Q C 1.782 177.692 176.000 -0.150 0.000 0.969 251 Q CA 2.010 57.764 55.803 -0.082 0.000 0.838 251 Q CB -0.270 28.405 28.738 -0.104 0.000 0.900 251 Q HN 0.381 nan 8.270 nan 0.000 0.436 252 A N 0.258 122.941 122.820 -0.228 0.000 1.940 252 A HA -0.162 4.157 4.320 -0.000 0.000 0.219 252 A C 2.136 179.641 177.584 -0.133 0.000 1.176 252 A CA 1.598 53.430 52.037 -0.341 0.000 0.631 252 A CB -0.757 17.919 19.000 -0.540 0.000 0.814 252 A HN 0.487 nan 8.150 nan 0.000 0.446 253 I N -1.359 119.200 120.570 -0.019 0.000 2.252 253 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 253 I C 2.654 178.812 176.117 0.069 0.000 1.102 253 I CA 1.594 62.939 61.300 0.075 0.000 1.385 253 I CB -0.231 37.842 38.000 0.120 0.000 1.064 253 I HN 0.318 nan 8.210 nan 0.000 0.414 254 R N 0.974 121.488 120.500 0.025 0.000 2.083 254 R HA -0.142 4.198 4.340 -0.000 0.000 0.237 254 R C 2.297 178.579 176.300 -0.029 0.000 1.137 254 R CA 2.132 58.239 56.100 0.012 0.000 0.951 254 R CB -0.458 29.838 30.300 -0.007 0.000 0.851 254 R HN 0.153 nan 8.270 nan 0.000 0.434 255 S N 0.179 115.828 115.700 -0.084 0.000 2.357 255 S HA -0.015 4.455 4.470 -0.000 0.000 0.221 255 S C 1.799 176.309 174.600 -0.151 0.000 1.031 255 S CA 1.229 59.358 58.200 -0.120 0.000 0.982 255 S CB -0.244 62.855 63.200 -0.169 0.000 0.853 255 S HN 0.266 nan 8.310 nan 0.000 0.458 256 L N 1.093 122.200 121.223 -0.194 0.000 2.079 256 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 256 L C 2.623 179.231 176.870 -0.435 0.000 1.081 256 L CA 1.128 55.742 54.840 -0.376 0.000 0.752 256 L CB -0.972 40.842 42.059 -0.408 0.000 0.896 256 L HN 0.319 nan 8.230 nan 0.000 0.433 257 T N -1.116 113.380 114.554 -0.096 0.000 2.737 257 T HA -0.142 4.207 4.350 -0.000 0.000 0.265 257 T C 1.797 176.511 174.700 0.024 0.000 1.038 257 T CA 1.139 63.303 62.100 0.106 0.000 1.144 257 T CB -0.046 68.934 68.868 0.188 0.000 0.866 257 T HN 0.275 nan 8.240 nan 0.000 0.434 258 E N 0.855 121.044 120.200 -0.018 0.000 2.158 258 E HA 0.049 4.399 4.350 -0.000 0.000 0.191 258 E C 2.289 178.867 176.600 -0.037 0.000 0.982 258 E CA 0.714 57.106 56.400 -0.014 0.000 0.823 258 E CB -0.017 29.672 29.700 -0.017 0.000 0.766 258 E HN 0.440 nan 8.360 nan 0.000 0.468 259 R N -0.537 119.910 120.500 -0.088 0.000 2.237 259 R HA 0.128 4.468 4.340 -0.000 0.000 0.195 259 R C 1.737 177.966 176.300 -0.118 0.000 0.956 259 R CA 0.229 56.276 56.100 -0.089 0.000 1.029 259 R CB 0.374 30.613 30.300 -0.102 0.000 0.972 259 R HN 0.018 nan 8.270 nan 0.000 0.493 260 L N -2.188 118.920 121.223 -0.191 0.000 2.664 260 L HA 0.204 4.544 4.340 -0.000 0.000 0.198 260 L C 1.188 178.013 176.870 -0.074 0.000 1.057 260 L CA 0.818 55.533 54.840 -0.208 0.000 0.871 260 L CB -0.172 41.661 42.059 -0.376 0.000 1.364 260 L HN -0.132 nan 8.230 nan 0.000 0.483 261 Y N 1.291 121.603 120.300 0.020 0.000 2.220 261 Y HA 0.005 4.555 4.550 -0.000 0.000 0.291 261 Y C 2.466 178.372 175.900 0.010 0.000 1.129 261 Y CA 1.469 59.589 58.100 0.034 0.000 1.161 261 Y CB -1.001 37.502 38.460 0.071 0.000 0.997 261 Y HN 0.344 nan 8.280 nan 0.000 0.522 262 I N -2.567 118.090 120.570 0.145 0.000 2.830 262 I HA 0.360 4.530 4.170 -0.000 0.000 0.263 262 I C 1.085 177.213 176.117 0.018 0.000 1.230 262 I CA 0.959 62.301 61.300 0.071 0.000 1.480 262 I CB -0.424 37.609 38.000 0.055 0.000 1.095 262 I HN 0.123 nan 8.210 nan 0.000 0.455 263 G N -0.321 108.469 108.800 -0.015 0.000 2.362 263 G HA2 0.451 4.411 3.960 -0.000 0.000 0.288 263 G HA3 0.451 4.411 3.960 -0.000 0.000 0.288 263 G C -0.645 174.102 174.900 -0.256 0.000 1.305 263 G CA -0.261 44.763 45.100 -0.126 0.000 0.910 263 G HN 0.908 nan 8.290 nan 0.000 0.518 264 G N -1.147 107.210 108.800 -0.739 0.000 2.368 264 G HA2 0.628 4.588 3.960 -0.000 0.000 0.302 264 G HA3 0.628 4.588 3.960 -0.000 0.000 0.302 264 G C -3.456 170.744 174.900 -1.167 0.000 1.329 264 G CA 0.233 44.794 45.100 -0.899 0.000 0.935 264 G HN 0.970 nan 8.290 nan 0.000 0.590 265 P HA 0.463 nan 4.420 nan 0.000 0.275 265 P C -0.449 176.739 177.300 -0.186 0.000 1.228 265 P CA -0.149 62.785 63.100 -0.278 0.000 0.786 265 P CB 1.093 32.778 31.700 -0.026 0.000 0.927 266 L N 2.577 123.742 121.223 -0.096 0.000 2.287 266 L HA 0.410 4.750 4.340 -0.000 0.000 0.287 266 L C 0.580 177.453 176.870 0.004 0.000 1.022 266 L CA -0.205 54.614 54.840 -0.035 0.000 0.814 266 L CB 1.315 43.397 42.059 0.040 0.000 1.217 266 L HN 0.271 nan 8.230 nan 0.000 0.420 267 T N 1.785 116.322 114.554 -0.029 0.000 2.797 267 T HA 0.302 4.652 4.350 -0.000 0.000 0.279 267 T C -0.028 174.659 174.700 -0.022 0.000 0.991 267 T CA -0.828 61.261 62.100 -0.019 0.000 0.979 267 T CB 1.266 70.109 68.868 -0.042 0.000 0.943 267 T HN 0.639 nan 8.240 nan 0.000 0.444 268 N N 1.074 119.778 118.700 0.008 0.000 2.327 268 N HA 0.079 4.819 4.740 -0.000 0.000 0.257 268 N C 1.409 176.915 175.510 -0.007 0.000 1.281 268 N CA -0.245 52.810 53.050 0.008 0.000 0.942 268 N CB 0.119 38.620 38.487 0.024 0.000 1.199 268 N HN 0.452 nan 8.380 nan 0.000 0.532 269 S N -1.417 114.286 115.700 0.006 0.000 2.481 269 S HA -0.030 4.440 4.470 -0.000 0.000 0.231 269 S C 1.010 175.612 174.600 0.003 0.000 0.996 269 S CA 0.442 58.648 58.200 0.010 0.000 0.942 269 S CB -0.392 62.828 63.200 0.033 0.000 0.768 269 S HN 0.605 nan 8.310 nan 0.000 0.520 270 K N 0.668 121.070 120.400 0.003 0.000 2.459 270 K HA 0.244 4.564 4.320 -0.000 0.000 0.193 270 K C 1.205 177.801 176.600 -0.007 0.000 1.030 270 K CA 0.396 56.682 56.287 -0.000 0.000 1.026 270 K CB -0.171 32.332 32.500 0.005 0.000 0.809 270 K HN 0.551 nan 8.250 nan 0.000 0.504 271 G N 1.853 110.646 108.800 -0.011 0.000 2.132 271 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.234 271 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.234 271 G C -0.363 174.535 174.900 -0.003 0.000 0.989 271 G CA -0.161 44.929 45.100 -0.016 0.000 0.676 271 G HN 0.338 nan 8.290 nan 0.000 0.522 272 Q N -0.165 119.640 119.800 0.008 0.000 2.230 272 Q HA 0.464 4.804 4.340 -0.000 0.000 0.248 272 Q C 0.147 176.167 176.000 0.033 0.000 0.915 272 Q CA -0.870 54.945 55.803 0.020 0.000 0.900 272 Q CB 0.965 29.718 28.738 0.025 0.000 1.229 272 Q HN 0.201 nan 8.270 nan 0.000 0.439 273 N N 0.966 119.691 118.700 0.042 0.000 2.416 273 N HA -0.005 4.735 4.740 -0.000 0.000 0.265 273 N C -0.409 175.158 175.510 0.094 0.000 1.195 273 N CA 0.002 53.087 53.050 0.059 0.000 0.943 273 N CB 0.405 38.927 38.487 0.059 0.000 1.115 273 N HN 0.610 nan 8.380 nan 0.000 0.481 274 C N 2.194 121.569 119.300 0.125 0.000 2.634 274 C HA 0.529 4.989 4.460 -0.000 0.000 0.268 274 C C 1.320 176.491 174.990 0.301 0.000 1.322 274 C CA 0.557 59.709 59.018 0.222 0.000 1.737 274 C CB -1.372 26.533 27.740 0.275 0.000 1.976 274 C HN 0.909 nan 8.230 nan 0.000 0.547 275 G N -1.357 107.541 108.800 0.164 0.000 2.334 275 G HA2 0.252 4.212 3.960 -0.000 0.000 0.249 275 G HA3 0.252 4.212 3.960 -0.000 0.000 0.249 275 G C -2.045 172.878 174.900 0.039 0.000 1.327 275 G CA -0.466 44.680 45.100 0.075 0.000 0.979 275 G HN 0.060 nan 8.290 nan 0.000 0.471 276 Y N 0.668 120.837 120.300 -0.217 0.000 2.470 276 Y HA 0.744 5.294 4.550 -0.000 0.000 0.341 276 Y C 0.065 175.815 175.900 -0.248 0.000 1.021 276 Y CA -0.842 57.152 58.100 -0.176 0.000 1.025 276 Y CB 1.948 40.322 38.460 -0.143 0.000 1.266 276 Y HN 0.713 nan 8.280 nan 0.000 0.448 277 R N 4.586 124.846 120.500 -0.400 0.000 2.368 277 R HA 0.534 4.874 4.340 -0.000 0.000 0.302 277 R C -0.607 175.526 176.300 -0.279 0.000 1.002 277 R CA -0.504 55.352 56.100 -0.406 0.000 0.929 277 R CB 0.858 30.975 30.300 -0.304 0.000 1.073 277 R HN 0.916 nan 8.270 nan 0.000 0.464 278 R N 3.084 123.391 120.500 -0.321 0.000 2.668 278 R HA 0.204 4.544 4.340 -0.000 0.000 0.435 278 R C -0.672 175.497 176.300 -0.218 0.000 1.059 278 R CA -0.310 55.690 56.100 -0.166 0.000 1.073 278 R CB 0.443 30.686 30.300 -0.096 0.000 1.401 278 R HN 0.781 nan 8.270 nan 0.000 0.590 279 C N -1.904 117.225 119.300 -0.286 0.000 3.336 279 C HA 0.625 5.085 4.460 -0.000 0.000 0.352 279 C C -0.290 174.641 174.990 -0.098 0.000 1.567 279 C CA -1.529 57.362 59.018 -0.212 0.000 1.328 279 C CB 1.272 28.822 27.740 -0.316 0.000 1.922 279 C HN 0.357 nan 8.230 nan 0.000 0.439 280 R N 1.239 121.729 120.500 -0.016 0.000 2.484 280 R HA 0.485 4.825 4.340 -0.000 0.000 0.293 280 R C 0.079 176.439 176.300 0.100 0.000 1.023 280 R CA 0.935 57.076 56.100 0.068 0.000 1.037 280 R CB -0.115 30.261 30.300 0.125 0.000 0.951 280 R HN 1.191 nan 8.270 nan 0.000 0.418 281 A N 3.584 126.477 122.820 0.122 0.000 2.366 281 A HA 0.241 4.560 4.320 -0.000 0.000 0.272 281 A C 1.086 178.775 177.584 0.175 0.000 1.135 281 A CA 0.051 52.181 52.037 0.156 0.000 0.804 281 A CB 0.544 19.640 19.000 0.160 0.000 1.064 281 A HN 1.036 nan 8.150 nan 0.000 0.499 282 S N 2.168 117.983 115.700 0.192 0.000 2.423 282 S HA 0.005 4.475 4.470 -0.000 0.000 0.231 282 S C 1.151 175.854 174.600 0.172 0.000 1.014 282 S CA 1.010 59.319 58.200 0.180 0.000 0.965 282 S CB -0.116 63.195 63.200 0.185 0.000 0.785 282 S HN 1.306 nan 8.310 nan 0.000 0.495 283 G N 1.947 110.874 108.800 0.213 0.000 4.486 283 G HA2 0.525 4.485 3.960 -0.000 0.000 0.306 283 G HA3 0.525 4.485 3.960 -0.000 0.000 0.306 283 G C -0.138 174.900 174.900 0.230 0.000 1.331 283 G CA -0.042 45.190 45.100 0.221 0.000 1.113 283 G HN 0.628 nan 8.290 nan 0.000 0.594 284 V N -2.548 117.486 119.914 0.200 0.000 3.113 284 V HA 0.591 4.711 4.120 -0.000 0.000 0.316 284 V C 1.277 177.465 176.094 0.156 0.000 1.125 284 V CA -0.963 61.475 62.300 0.229 0.000 1.026 284 V CB 1.717 33.754 31.823 0.357 0.000 1.080 284 V HN 0.059 nan 8.190 nan 0.000 0.444 285 L N 2.099 123.428 121.223 0.177 0.000 2.141 285 L HA -0.005 4.335 4.340 -0.000 0.000 0.209 285 L C 2.293 179.182 176.870 0.032 0.000 1.094 285 L CA 2.955 57.874 54.840 0.132 0.000 0.763 285 L CB -0.629 41.535 42.059 0.176 0.000 0.908 285 L HN 1.094 nan 8.230 nan 0.000 0.437 286 T N -6.029 108.469 114.554 -0.094 0.000 3.129 286 T HA -0.004 4.346 4.350 -0.000 0.000 0.251 286 T C 1.566 176.213 174.700 -0.089 0.000 1.117 286 T CA 0.741 62.735 62.100 -0.175 0.000 1.034 286 T CB -0.660 67.957 68.868 -0.419 0.000 0.968 286 T HN 0.240 nan 8.240 nan 0.000 0.526 287 T N 1.833 116.369 114.554 -0.031 0.000 2.708 287 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 287 T C 2.204 176.927 174.700 0.038 0.000 1.037 287 T CA 1.701 63.818 62.100 0.029 0.000 1.146 287 T CB -0.551 68.361 68.868 0.073 0.000 0.865 287 T HN 0.549 nan 8.240 nan 0.000 0.435 288 S N -0.177 115.519 115.700 -0.007 0.000 2.345 288 S HA -0.141 4.329 4.470 -0.000 0.000 0.220 288 S C 2.470 177.083 174.600 0.022 0.000 1.031 288 S CA 1.375 59.558 58.200 -0.027 0.000 0.996 288 S CB -0.963 62.116 63.200 -0.202 0.000 0.882 288 S HN 0.676 nan 8.310 nan 0.000 0.445 289 C N 1.470 120.754 119.300 -0.026 0.000 2.413 289 C HA 0.049 4.509 4.460 -0.000 0.000 0.276 289 C C 2.831 177.862 174.990 0.070 0.000 1.236 289 C CA 1.278 60.297 59.018 0.001 0.000 1.735 289 C CB -1.859 25.851 27.740 -0.050 0.000 2.031 289 C HN 0.709 nan 8.230 nan 0.000 0.474 290 G N 0.639 109.493 108.800 0.090 0.000 2.491 290 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 290 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 290 G C 1.513 176.495 174.900 0.137 0.000 1.180 290 G CA 1.256 46.416 45.100 0.101 0.000 0.774 290 G HN 0.613 nan 8.290 nan 0.000 0.562 291 N N 0.356 119.151 118.700 0.159 0.000 2.104 291 N HA -0.090 4.650 4.740 -0.000 0.000 0.190 291 N C 2.431 178.005 175.510 0.107 0.000 1.024 291 N CA 1.695 54.865 53.050 0.201 0.000 0.853 291 N CB -0.802 37.730 38.487 0.075 0.000 1.008 291 N HN 0.293 nan 8.380 nan 0.000 0.424 292 T N 1.856 116.474 114.554 0.107 0.000 2.674 292 T HA -0.042 4.308 4.350 -0.000 0.000 0.265 292 T C 2.175 176.960 174.700 0.142 0.000 1.039 292 T CA 0.818 62.997 62.100 0.132 0.000 1.150 292 T CB -0.428 68.577 68.868 0.228 0.000 0.864 292 T HN 0.129 nan 8.240 nan 0.000 0.427 293 L N 0.676 121.953 121.223 0.090 0.000 2.012 293 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 293 L C 2.968 179.926 176.870 0.146 0.000 1.073 293 L CA 1.354 56.233 54.840 0.065 0.000 0.748 293 L CB -1.138 40.911 42.059 -0.016 0.000 0.891 293 L HN 0.294 nan 8.230 nan 0.000 0.431 294 T N -1.439 113.221 114.554 0.177 0.000 2.777 294 T HA -0.229 4.121 4.350 -0.000 0.000 0.266 294 T C 2.020 176.916 174.700 0.327 0.000 1.040 294 T CA 1.467 63.707 62.100 0.233 0.000 1.141 294 T CB -0.440 68.598 68.868 0.284 0.000 0.868 294 T HN 0.467 nan 8.240 nan 0.000 0.444 295 C N 0.576 120.114 119.300 0.398 0.000 2.453 295 C HA -0.066 4.394 4.460 -0.000 0.000 0.277 295 C C 2.389 177.533 174.990 0.256 0.000 1.262 295 C CA 0.450 59.688 59.018 0.368 0.000 1.718 295 C CB -1.400 26.430 27.740 0.150 0.000 2.031 295 C HN 0.655 nan 8.230 nan 0.000 0.480 296 Y N 1.032 121.395 120.300 0.105 0.000 2.165 296 Y HA -0.148 4.401 4.550 -0.000 0.000 0.286 296 Y C 2.166 178.087 175.900 0.035 0.000 1.155 296 Y CA 2.171 60.310 58.100 0.065 0.000 1.164 296 Y CB -0.514 37.968 38.460 0.037 0.000 0.978 296 Y HN 0.351 nan 8.280 nan 0.000 0.513 297 L N 0.990 122.296 121.223 0.138 0.000 2.005 297 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 297 L C 2.110 178.902 176.870 -0.130 0.000 1.072 297 L CA 1.975 56.784 54.840 -0.052 0.000 0.744 297 L CB -0.980 41.017 42.059 -0.103 0.000 0.895 297 L HN 0.135 nan 8.230 nan 0.000 0.433 298 K N -0.288 120.110 120.400 -0.004 0.000 2.026 298 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 298 K C 2.094 178.729 176.600 0.058 0.000 1.048 298 K CA 1.429 57.739 56.287 0.039 0.000 0.929 298 K CB -0.478 32.131 32.500 0.183 0.000 0.713 298 K HN 0.496 nan 8.250 nan 0.000 0.439 299 A N 1.101 123.947 122.820 0.043 0.000 1.877 299 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 299 A C 2.264 179.868 177.584 0.034 0.000 1.186 299 A CA 2.093 54.173 52.037 0.072 0.000 0.620 299 A CB -1.037 18.066 19.000 0.171 0.000 0.822 299 A HN 0.267 nan 8.150 nan 0.000 0.443 300 T N 0.360 114.817 114.554 -0.161 0.000 2.746 300 T HA -0.026 4.324 4.350 -0.000 0.000 0.267 300 T C 2.196 176.840 174.700 -0.092 0.000 1.039 300 T CA 1.570 63.545 62.100 -0.208 0.000 1.142 300 T CB -0.445 68.149 68.868 -0.456 0.000 0.866 300 T HN 0.600 nan 8.240 nan 0.000 0.444 301 A N 1.481 124.266 122.820 -0.059 0.000 1.902 301 A HA 0.173 4.493 4.320 -0.000 0.000 0.217 301 A C 2.650 180.286 177.584 0.086 0.000 1.181 301 A CA 1.767 53.830 52.037 0.044 0.000 0.623 301 A CB -1.089 17.953 19.000 0.070 0.000 0.818 301 A HN 0.506 nan 8.150 nan 0.000 0.443 302 A N -1.166 121.713 122.820 0.099 0.000 1.972 302 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 302 A C 2.240 179.823 177.584 -0.002 0.000 1.169 302 A CA 1.581 53.537 52.037 -0.136 0.000 0.635 302 A CB -1.220 17.344 19.000 -0.727 0.000 0.810 302 A HN 0.592 nan 8.150 nan 0.000 0.446 303 C N -0.853 118.539 119.300 0.154 0.000 2.425 303 C HA -0.080 4.380 4.460 -0.000 0.000 0.277 303 C C 2.893 177.884 174.990 0.002 0.000 1.280 303 C CA 1.116 60.251 59.018 0.196 0.000 1.744 303 C CB -1.248 26.578 27.740 0.143 0.000 1.989 303 C HN 0.605 nan 8.230 nan 0.000 0.491 304 R N 0.932 121.333 120.500 -0.165 0.000 2.073 304 R HA -0.012 4.328 4.340 -0.000 0.000 0.229 304 R C 2.452 178.468 176.300 -0.474 0.000 1.120 304 R CA 1.368 57.229 56.100 -0.399 0.000 0.967 304 R CB -0.561 29.313 30.300 -0.710 0.000 0.862 304 R HN 0.493 nan 8.270 nan 0.000 0.436 305 A N 1.498 124.074 122.820 -0.407 0.000 1.940 305 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 305 A C 2.233 179.805 177.584 -0.019 0.000 1.176 305 A CA 1.889 53.879 52.037 -0.079 0.000 0.631 305 A CB -0.460 18.535 19.000 -0.008 0.000 0.814 305 A HN 0.399 nan 8.150 nan 0.000 0.446 306 A N -2.000 120.816 122.820 -0.007 0.000 2.218 306 A HA 0.306 4.626 4.320 -0.000 0.000 0.209 306 A C 1.147 178.751 177.584 0.032 0.000 1.168 306 A CA 0.939 53.002 52.037 0.042 0.000 0.804 306 A CB -0.271 18.809 19.000 0.134 0.000 0.834 306 A HN 0.496 nan 8.150 nan 0.000 0.482 307 K N -2.053 118.353 120.400 0.011 0.000 3.349 307 K HA -0.169 4.151 4.320 -0.000 0.000 0.310 307 K C -0.552 176.060 176.600 0.019 0.000 1.267 307 K CA 0.456 56.751 56.287 0.012 0.000 0.920 307 K CB -1.805 30.707 32.500 0.020 0.000 1.240 307 K HN 0.366 nan 8.250 nan 0.000 0.453 308 L N 1.734 122.978 121.223 0.036 0.000 2.573 308 L HA -0.108 4.232 4.340 -0.000 0.000 0.290 308 L C 0.827 177.709 176.870 0.021 0.000 1.247 308 L CA 1.493 56.357 54.840 0.040 0.000 0.876 308 L CB 0.159 42.267 42.059 0.081 0.000 1.123 308 L HN 0.096 nan 8.230 nan 0.000 0.505 309 Q N 2.201 122.007 119.800 0.009 0.000 2.337 309 Q HA 0.229 4.568 4.340 -0.000 0.000 0.266 309 Q C -0.474 175.516 176.000 -0.017 0.000 1.023 309 Q CA -0.674 55.127 55.803 -0.004 0.000 0.829 309 Q CB 1.695 30.428 28.738 -0.007 0.000 1.306 309 Q HN 0.550 nan 8.270 nan 0.000 0.449 310 D N 0.217 120.606 120.400 -0.019 0.000 2.723 310 D HA -0.160 4.480 4.640 -0.000 0.000 0.236 310 D C -0.625 175.653 176.300 -0.038 0.000 1.138 310 D CA 0.541 54.523 54.000 -0.029 0.000 0.676 310 D CB -1.580 39.193 40.800 -0.045 0.000 1.069 310 D HN 0.495 nan 8.370 nan 0.000 0.430 311 C N 0.479 119.765 119.300 -0.024 0.000 2.642 311 C HA 0.307 4.767 4.460 -0.000 0.000 0.420 311 C C 1.215 176.189 174.990 -0.026 0.000 1.349 311 C CA 0.112 59.110 59.018 -0.034 0.000 1.821 311 C CB 0.248 27.977 27.740 -0.018 0.000 2.637 311 C HN 0.279 nan 8.230 nan 0.000 0.605 312 T N 5.795 120.323 114.554 -0.044 0.000 2.840 312 T HA 0.496 4.846 4.350 -0.000 0.000 0.287 312 T C -0.333 174.374 174.700 0.011 0.000 0.991 312 T CA -0.275 61.830 62.100 0.008 0.000 0.964 312 T CB 0.892 69.742 68.868 -0.030 0.000 0.954 312 T HN 0.536 nan 8.240 nan 0.000 0.438 313 M N 3.096 122.750 119.600 0.089 0.000 2.537 313 M HA 0.615 5.095 4.480 -0.000 0.000 0.324 313 M C -1.168 175.246 176.300 0.190 0.000 1.187 313 M CA -1.137 54.207 55.300 0.074 0.000 0.993 313 M CB 1.902 34.531 32.600 0.049 0.000 1.666 313 M HN 0.311 nan 8.290 nan 0.000 0.461 314 L N 2.878 124.176 121.223 0.124 0.000 2.343 314 L HA 0.658 4.998 4.340 -0.000 0.000 0.278 314 L C -1.365 175.521 176.870 0.026 0.000 0.996 314 L CA -0.484 54.428 54.840 0.121 0.000 0.831 314 L CB 1.724 43.863 42.059 0.134 0.000 1.232 314 L HN 0.494 nan 8.230 nan 0.000 0.413 315 V N 4.267 124.185 119.914 0.008 0.000 2.540 315 V HA 0.589 4.709 4.120 -0.000 0.000 0.302 315 V C -0.781 175.187 176.094 -0.210 0.000 1.035 315 V CA -0.652 61.636 62.300 -0.020 0.000 0.873 315 V CB 1.931 33.836 31.823 0.136 0.000 0.992 315 V HN 0.787 nan 8.190 nan 0.000 0.428 316 N N 3.517 122.049 118.700 -0.281 0.000 2.648 316 N HA 0.604 5.344 4.740 -0.000 0.000 0.261 316 N C 0.560 175.996 175.510 -0.123 0.000 1.138 316 N CA 0.520 53.231 53.050 -0.565 0.000 0.804 316 N CB 1.708 39.721 38.487 -0.790 0.000 1.237 316 N HN 1.067 nan 8.380 nan 0.000 0.532 317 G N 2.348 111.217 108.800 0.114 0.000 2.629 317 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.313 317 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.313 317 G C 0.554 175.323 174.900 -0.218 0.000 1.217 317 G CA 0.832 45.958 45.100 0.043 0.000 0.994 317 G HN 0.614 nan 8.290 nan 0.000 0.549 318 D N 1.513 121.700 120.400 -0.354 0.000 2.340 318 D HA 0.143 4.783 4.640 -0.000 0.000 0.220 318 D C 0.370 176.537 176.300 -0.222 0.000 1.039 318 D CA 0.719 54.324 54.000 -0.659 0.000 0.866 318 D CB -0.212 40.151 40.800 -0.728 0.000 0.913 318 D HN 0.441 nan 8.370 nan 0.000 0.523 319 D N 0.325 120.657 120.400 -0.114 0.000 2.317 319 D HA 0.349 4.989 4.640 -0.000 0.000 0.252 319 D C -0.904 175.385 176.300 -0.019 0.000 1.174 319 D CA -0.311 53.666 54.000 -0.039 0.000 0.866 319 D CB 0.986 41.756 40.800 -0.050 0.000 1.127 319 D HN 0.054 nan 8.370 nan 0.000 0.467 320 L N 4.564 125.817 121.223 0.050 0.000 2.381 320 L HA 0.649 4.989 4.340 -0.000 0.000 0.274 320 L C -1.770 175.106 176.870 0.009 0.000 0.988 320 L CA -0.865 54.013 54.840 0.064 0.000 0.824 320 L CB 1.881 44.048 42.059 0.180 0.000 1.263 320 L HN 0.205 nan 8.230 nan 0.000 0.410 321 V N 6.478 126.352 119.914 -0.066 0.000 2.531 321 V HA 0.772 4.892 4.120 -0.000 0.000 0.301 321 V C -1.437 174.497 176.094 -0.267 0.000 1.034 321 V CA -0.260 61.940 62.300 -0.167 0.000 0.865 321 V CB 2.117 33.875 31.823 -0.108 0.000 0.995 321 V HN 0.827 nan 8.190 nan 0.000 0.424 322 V N 7.683 127.245 119.914 -0.586 0.000 2.555 322 V HA 0.728 4.848 4.120 -0.000 0.000 0.302 322 V C -0.785 175.016 176.094 -0.488 0.000 1.038 322 V CA -0.436 61.520 62.300 -0.572 0.000 0.887 322 V CB 1.785 33.170 31.823 -0.730 0.000 0.991 322 V HN 0.815 nan 8.190 nan 0.000 0.434 323 I N 6.748 127.175 120.570 -0.238 0.000 2.465 323 I HA 0.709 4.879 4.170 -0.000 0.000 0.291 323 I C 0.046 176.077 176.117 -0.144 0.000 1.014 323 I CA -0.423 60.794 61.300 -0.139 0.000 1.093 323 I CB 1.664 39.633 38.000 -0.052 0.000 1.267 323 I HN 1.057 nan 8.210 nan 0.000 0.431 324 C N 2.350 121.567 119.300 -0.139 0.000 3.336 324 C HA 0.585 5.045 4.460 -0.000 0.000 0.352 324 C C -0.608 174.300 174.990 -0.136 0.000 1.567 324 C CA -0.903 58.051 59.018 -0.106 0.000 1.328 324 C CB 1.849 29.570 27.740 -0.032 0.000 1.922 324 C HN 0.618 nan 8.230 nan 0.000 0.439 325 E N 1.728 121.872 120.200 -0.092 0.000 2.229 325 E HA 0.354 4.704 4.350 -0.000 0.000 0.283 325 E C -0.033 176.543 176.600 -0.041 0.000 1.030 325 E CA 0.448 56.796 56.400 -0.087 0.000 0.836 325 E CB 1.809 31.470 29.700 -0.066 0.000 1.068 325 E HN 0.710 nan 8.360 nan 0.000 0.401 326 S N 1.638 117.324 115.700 -0.024 0.000 2.592 326 S HA 0.370 4.839 4.470 -0.000 0.000 0.271 326 S C 0.403 175.016 174.600 0.022 0.000 1.326 326 S CA 0.114 58.341 58.200 0.045 0.000 1.024 326 S CB 0.765 64.047 63.200 0.137 0.000 0.921 326 S HN 0.526 nan 8.310 nan 0.000 0.527 327 A N 2.360 125.201 122.820 0.035 0.000 2.589 327 A HA 0.665 4.985 4.320 -0.000 0.000 0.283 327 A C 0.730 178.320 177.584 0.010 0.000 1.187 327 A CA 0.232 52.278 52.037 0.014 0.000 0.957 327 A CB -0.661 18.346 19.000 0.012 0.000 1.175 327 A HN 1.849 nan 8.150 nan 0.000 0.532 328 G N -1.621 107.187 108.800 0.014 0.000 2.640 328 G HA2 0.038 3.998 3.960 -0.000 0.000 0.686 328 G HA3 0.038 3.998 3.960 -0.000 0.000 0.686 328 G C 0.349 175.261 174.900 0.019 0.000 1.229 328 G CA -0.175 44.919 45.100 -0.010 0.000 0.796 328 G HN 0.338 nan 8.290 nan 0.000 0.654 329 T N 0.450 114.989 114.554 -0.025 0.000 2.635 329 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 329 T C 2.323 177.057 174.700 0.056 0.000 1.040 329 T CA 2.400 64.515 62.100 0.025 0.000 1.156 329 T CB -0.255 68.588 68.868 -0.042 0.000 0.863 329 T HN 0.640 nan 8.240 nan 0.000 0.430 330 Q N 0.210 120.023 119.800 0.021 0.000 2.119 330 Q HA -0.128 4.212 4.340 -0.000 0.000 0.201 330 Q C 2.325 178.336 176.000 0.018 0.000 0.972 330 Q CA 1.183 56.997 55.803 0.017 0.000 0.847 330 Q CB 0.092 28.833 28.738 0.005 0.000 0.903 330 Q HN 0.521 nan 8.270 nan 0.000 0.433 331 E N 0.126 120.337 120.200 0.019 0.000 2.158 331 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 331 E C 1.275 177.885 176.600 0.017 0.000 0.982 331 E CA 0.779 57.188 56.400 0.014 0.000 0.823 331 E CB -0.179 29.528 29.700 0.011 0.000 0.766 331 E HN 0.392 nan 8.360 nan 0.000 0.468 332 D N 1.791 122.215 120.400 0.040 0.000 2.097 332 D HA -0.089 4.551 4.640 -0.000 0.000 0.195 332 D C 1.954 178.246 176.300 -0.013 0.000 0.989 332 D CA 1.935 55.957 54.000 0.036 0.000 0.827 332 D CB -0.313 40.567 40.800 0.134 0.000 0.966 332 D HN 0.229 nan 8.370 nan 0.000 0.456 333 A N 0.833 123.660 122.820 0.011 0.000 1.902 333 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 333 A C 2.287 179.854 177.584 -0.029 0.000 1.181 333 A CA 2.389 54.419 52.037 -0.013 0.000 0.623 333 A CB -0.778 18.229 19.000 0.011 0.000 0.818 333 A HN 0.245 nan 8.150 nan 0.000 0.443 334 A N -0.202 122.610 122.820 -0.014 0.000 1.873 334 A HA 0.194 4.514 4.320 -0.000 0.000 0.215 334 A C 2.528 180.101 177.584 -0.018 0.000 1.186 334 A CA 2.061 54.090 52.037 -0.012 0.000 0.616 334 A CB -1.080 17.918 19.000 -0.004 0.000 0.823 334 A HN 1.078 nan 8.150 nan 0.000 0.442 335 A N -0.703 122.103 122.820 -0.022 0.000 1.902 335 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 335 A C 2.105 179.664 177.584 -0.042 0.000 1.181 335 A CA 1.786 53.811 52.037 -0.019 0.000 0.623 335 A CB -0.570 18.420 19.000 -0.017 0.000 0.818 335 A HN 0.564 nan 8.150 nan 0.000 0.443 336 L N -0.147 121.000 121.223 -0.126 0.000 2.093 336 L HA -0.068 4.271 4.340 -0.000 0.000 0.208 336 L C 2.416 179.250 176.870 -0.060 0.000 1.085 336 L CA 1.699 56.394 54.840 -0.242 0.000 0.755 336 L CB -0.663 41.153 42.059 -0.405 0.000 0.904 336 L HN 0.343 nan 8.230 nan 0.000 0.435 337 R N -0.902 119.578 120.500 -0.033 0.000 2.120 337 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 337 R C 2.132 178.443 176.300 0.019 0.000 1.123 337 R CA 1.185 57.288 56.100 0.006 0.000 0.975 337 R CB -0.469 29.828 30.300 -0.005 0.000 0.866 337 R HN 0.481 nan 8.270 nan 0.000 0.446 338 A N 0.400 123.229 122.820 0.015 0.000 1.970 338 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 338 A C 1.874 179.461 177.584 0.006 0.000 1.170 338 A CA 0.610 52.648 52.037 0.003 0.000 0.645 338 A CB -0.478 18.525 19.000 0.005 0.000 0.816 338 A HN 0.369 nan 8.150 nan 0.000 0.447 339 F N 1.245 121.130 119.950 -0.107 0.000 2.171 339 F HA -0.150 4.377 4.527 -0.000 0.000 0.300 339 F C 2.335 178.055 175.800 -0.133 0.000 1.090 339 F CA 2.228 60.155 58.000 -0.122 0.000 1.293 339 F CB -0.344 38.566 39.000 -0.149 0.000 1.013 339 F HN 0.186 nan 8.300 nan 0.000 0.486 340 T N -0.007 114.611 114.554 0.105 0.000 2.812 340 T HA -0.120 4.229 4.350 -0.000 0.000 0.264 340 T C 1.682 176.358 174.700 -0.040 0.000 1.042 340 T CA 1.333 63.499 62.100 0.110 0.000 1.140 340 T CB -0.187 68.825 68.868 0.239 0.000 0.870 340 T HN 0.161 nan 8.240 nan 0.000 0.445 341 E N 1.413 121.574 120.200 -0.065 0.000 2.153 341 E HA 0.003 4.353 4.350 -0.000 0.000 0.194 341 E C 2.378 178.848 176.600 -0.217 0.000 0.988 341 E CA 1.043 57.380 56.400 -0.105 0.000 0.811 341 E CB -0.596 29.057 29.700 -0.078 0.000 0.746 341 E HN 0.510 nan 8.360 nan 0.000 0.466 342 A N 1.093 123.725 122.820 -0.314 0.000 1.855 342 A HA -0.139 4.181 4.320 -0.000 0.000 0.215 342 A C 2.189 179.353 177.584 -0.700 0.000 1.191 342 A CA 1.512 53.223 52.037 -0.543 0.000 0.613 342 A CB -0.390 18.310 19.000 -0.501 0.000 0.829 342 A HN 0.123 nan 8.150 nan 0.000 0.442 343 M N -0.049 119.221 119.600 -0.551 0.000 2.144 343 M HA -0.136 4.344 4.480 -0.000 0.000 0.260 343 M C 2.152 178.371 176.300 -0.135 0.000 1.067 343 M CA 2.040 57.145 55.300 -0.324 0.000 1.095 343 M CB -1.902 30.442 32.600 -0.427 0.000 1.365 343 M HN 0.467 nan 8.290 nan 0.000 0.406 344 T N 0.046 114.520 114.554 -0.133 0.000 2.708 344 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 344 T C 1.970 176.612 174.700 -0.098 0.000 1.037 344 T CA 1.116 63.179 62.100 -0.063 0.000 1.146 344 T CB -0.187 68.652 68.868 -0.049 0.000 0.865 344 T HN 0.391 nan 8.240 nan 0.000 0.435 345 R N 0.061 120.440 120.500 -0.202 0.000 2.120 345 R HA -0.045 4.295 4.340 -0.000 0.000 0.234 345 R C 1.923 178.165 176.300 -0.097 0.000 1.123 345 R CA 1.269 57.255 56.100 -0.191 0.000 0.975 345 R CB -0.370 29.757 30.300 -0.289 0.000 0.866 345 R HN 0.572 nan 8.270 nan 0.000 0.446 346 Y N 0.187 120.432 120.300 -0.091 0.000 2.578 346 Y HA -0.100 4.449 4.550 -0.000 0.000 0.297 346 Y C 1.255 177.110 175.900 -0.076 0.000 1.176 346 Y CA 0.173 58.209 58.100 -0.107 0.000 1.315 346 Y CB 0.271 38.691 38.460 -0.066 0.000 1.031 346 Y HN 0.225 nan 8.280 nan 0.000 0.524 347 S N -1.354 114.388 115.700 0.069 0.000 2.581 347 S HA -0.169 4.301 4.470 -0.000 0.000 0.264 347 S C -0.097 174.532 174.600 0.048 0.000 1.362 347 S CA 0.208 58.435 58.200 0.044 0.000 1.150 347 S CB -1.815 61.403 63.200 0.030 0.000 1.424 347 S HN 0.534 nan 8.310 nan 0.000 0.682 348 A N 1.967 124.829 122.820 0.071 0.000 3.165 348 A HA 0.707 5.027 4.320 -0.000 0.000 0.331 348 A C -2.082 175.622 177.584 0.200 0.000 1.034 348 A CA -1.312 50.800 52.037 0.125 0.000 0.906 348 A CB 0.527 19.638 19.000 0.185 0.000 1.054 348 A HN 0.471 nan 8.150 nan 0.000 0.484 349 P HA 0.250 nan 4.420 nan 0.000 0.272 349 P C -2.850 174.506 177.300 0.092 0.000 1.230 349 P CA -1.080 62.076 63.100 0.094 0.000 0.788 349 P CB 0.410 32.096 31.700 -0.023 0.000 0.949 350 P HA 0.109 nan 4.420 nan 0.000 0.279 350 P C 0.709 177.940 177.300 -0.115 0.000 1.252 350 P CA -0.003 62.987 63.100 -0.183 0.000 0.811 350 P CB 0.820 32.403 31.700 -0.196 0.000 1.035 351 G N 1.554 110.275 108.800 -0.132 0.000 2.670 351 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.215 351 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.215 351 G C -0.140 174.716 174.900 -0.074 0.000 1.359 351 G CA 0.130 45.185 45.100 -0.074 0.000 0.897 351 G HN 0.497 nan 8.290 nan 0.000 0.552 352 D N 2.243 122.596 120.400 -0.078 0.000 2.308 352 D HA 0.332 4.972 4.640 -0.000 0.000 0.251 352 D C -2.342 173.915 176.300 -0.072 0.000 1.127 352 D CA -1.001 52.964 54.000 -0.059 0.000 0.876 352 D CB 1.275 42.049 40.800 -0.042 0.000 1.176 352 D HN 0.009 nan 8.370 nan 0.000 0.446 353 P HA 0.109 nan 4.420 nan 0.000 0.266 353 P C -2.294 175.006 177.300 -0.001 0.000 1.195 353 P CA -0.862 62.230 63.100 -0.014 0.000 0.768 353 P CB -0.204 31.496 31.700 0.001 0.000 0.838 354 P HA 0.144 nan 4.420 nan 0.000 0.272 354 P C -0.953 176.345 177.300 -0.004 0.000 1.230 354 P CA -0.048 63.088 63.100 0.060 0.000 0.788 354 P CB 0.831 32.621 31.700 0.150 0.000 0.949 355 Q N 1.449 121.255 119.800 0.009 0.000 2.323 355 Q HA 0.433 4.773 4.340 -0.000 0.000 0.271 355 Q C -2.527 173.461 176.000 -0.020 0.000 1.048 355 Q CA -2.137 53.658 55.803 -0.014 0.000 0.792 355 Q CB 1.779 30.523 28.738 0.010 0.000 1.280 355 Q HN 0.322 nan 8.270 nan 0.000 0.441 356 P HA 0.040 nan 4.420 nan 0.000 0.268 356 P C -0.887 176.290 177.300 -0.205 0.000 1.205 356 P CA -0.007 62.998 63.100 -0.157 0.000 0.771 356 P CB 0.625 32.218 31.700 -0.178 0.000 0.858 357 E N 1.264 121.289 120.200 -0.292 0.000 2.246 357 E HA 0.317 4.667 4.350 -0.000 0.000 0.266 357 E C -1.205 175.275 176.600 -0.200 0.000 0.880 357 E CA -0.434 55.867 56.400 -0.164 0.000 0.762 357 E CB 0.688 30.375 29.700 -0.020 0.000 1.180 357 E HN 0.333 nan 8.360 nan 0.000 0.416 358 Y N 1.636 122.070 120.300 0.223 0.000 2.607 358 Y HA 0.321 4.871 4.550 -0.000 0.000 0.266 358 Y C 0.011 176.138 175.900 0.378 0.000 1.178 358 Y CA -0.461 57.829 58.100 0.318 0.000 1.226 358 Y CB 0.978 39.540 38.460 0.171 0.000 1.144 358 Y HN 0.291 nan 8.280 nan 0.000 0.528 359 D N 0.483 121.039 120.400 0.259 0.000 2.402 359 D HA 0.074 4.714 4.640 -0.000 0.000 0.252 359 D C 0.708 176.760 176.300 -0.413 0.000 1.294 359 D CA -0.357 53.644 54.000 0.003 0.000 0.948 359 D CB 1.245 42.059 40.800 0.024 0.000 1.202 359 D HN 0.150 nan 8.370 nan 0.000 0.561 360 L N 4.110 124.642 121.223 -1.152 0.000 2.103 360 L HA -0.163 4.177 4.340 -0.000 0.000 0.215 360 L C 1.671 178.197 176.870 -0.573 0.000 1.080 360 L CA 2.153 56.206 54.840 -1.312 0.000 0.764 360 L CB -0.348 40.721 42.059 -1.650 0.000 0.890 360 L HN 0.615 nan 8.230 nan 0.000 0.435 361 E N -1.474 118.496 120.200 -0.384 0.000 2.418 361 E HA -0.162 4.188 4.350 -0.000 0.000 0.197 361 E C 1.542 178.048 176.600 -0.157 0.000 1.026 361 E CA 0.375 56.644 56.400 -0.219 0.000 0.862 361 E CB 0.066 29.680 29.700 -0.143 0.000 0.799 361 E HN 0.438 nan 8.360 nan 0.000 0.518 362 L N 0.681 121.812 121.223 -0.154 0.000 2.607 362 L HA 0.253 4.593 4.340 -0.000 0.000 0.228 362 L C 0.292 177.113 176.870 -0.082 0.000 1.123 362 L CA 0.348 55.135 54.840 -0.088 0.000 0.890 362 L CB 0.237 42.267 42.059 -0.047 0.000 1.103 362 L HN 0.087 nan 8.230 nan 0.000 0.468 363 I N -0.194 120.302 120.570 -0.124 0.000 2.371 363 I HA 0.165 4.335 4.170 -0.000 0.000 0.290 363 I C 0.564 176.634 176.117 -0.077 0.000 1.028 363 I CA -0.126 61.120 61.300 -0.090 0.000 1.345 363 I CB 1.212 39.143 38.000 -0.116 0.000 1.407 363 I HN 0.028 nan 8.210 nan 0.000 0.501 364 T N 4.090 118.618 114.554 -0.043 0.000 2.779 364 T HA 0.630 4.980 4.350 -0.000 0.000 0.280 364 T C -0.402 174.290 174.700 -0.014 0.000 0.987 364 T CA -0.522 61.561 62.100 -0.028 0.000 0.966 364 T CB 0.996 69.853 68.868 -0.018 0.000 0.933 364 T HN 0.702 nan 8.240 nan 0.000 0.442 365 S N 2.370 118.063 115.700 -0.011 0.000 2.540 365 S HA 0.501 4.971 4.470 -0.000 0.000 0.275 365 S C 0.193 174.800 174.600 0.012 0.000 1.123 365 S CA -0.732 57.464 58.200 -0.007 0.000 0.907 365 S CB 0.522 63.703 63.200 -0.031 0.000 1.081 365 S HN 1.291 nan 8.310 nan 0.000 0.476 366 C N 1.766 121.076 119.300 0.017 0.000 4.350 366 C HA -0.158 4.302 4.460 -0.000 0.000 0.302 366 C C 1.411 176.461 174.990 0.101 0.000 1.390 366 C CA 0.660 59.708 59.018 0.051 0.000 2.016 366 C CB -3.308 24.454 27.740 0.037 0.000 1.271 366 C HN 1.603 nan 8.230 nan 0.000 0.760 367 S N -1.826 113.919 115.700 0.076 0.000 3.270 367 S HA -0.197 4.273 4.470 -0.000 0.000 0.293 367 S C 0.323 174.977 174.600 0.090 0.000 1.278 367 S CA 1.373 59.620 58.200 0.078 0.000 1.038 367 S CB -0.738 62.525 63.200 0.105 0.000 1.218 367 S HN 1.038 nan 8.310 nan 0.000 0.659 368 S N 1.751 117.510 115.700 0.098 0.000 2.634 368 S HA 0.744 5.214 4.470 -0.000 0.000 0.296 368 S C -0.469 174.156 174.600 0.043 0.000 1.104 368 S CA -0.911 57.364 58.200 0.125 0.000 0.920 368 S CB 1.793 65.134 63.200 0.234 0.000 1.111 368 S HN 0.574 nan 8.310 nan 0.000 0.493 369 N N -0.388 118.326 118.700 0.023 0.000 2.264 369 N HA 0.367 5.107 4.740 -0.000 0.000 0.288 369 N C -1.264 174.185 175.510 -0.102 0.000 1.094 369 N CA -0.549 52.470 53.050 -0.051 0.000 0.817 369 N CB 1.159 39.606 38.487 -0.066 0.000 1.604 369 N HN 0.319 nan 8.380 nan 0.000 0.473 370 V N 0.884 120.713 119.914 -0.141 0.000 2.763 370 V HA 0.231 4.351 4.120 -0.000 0.000 0.306 370 V C 0.664 176.625 176.094 -0.222 0.000 1.059 370 V CA 0.379 62.572 62.300 -0.178 0.000 1.138 370 V CB 0.796 32.523 31.823 -0.159 0.000 0.940 370 V HN 0.868 nan 8.190 nan 0.000 0.489 371 S N 3.064 118.541 115.700 -0.373 0.000 2.720 371 S HA 0.819 5.289 4.470 -0.000 0.000 0.287 371 S C -1.193 173.255 174.600 -0.254 0.000 1.168 371 S CA -0.538 57.466 58.200 -0.326 0.000 0.832 371 S CB 2.096 65.084 63.200 -0.354 0.000 1.166 371 S HN 0.429 nan 8.310 nan 0.000 0.493 372 V N 1.235 121.091 119.914 -0.097 0.000 2.735 372 V HA 0.974 5.094 4.120 -0.000 0.000 0.310 372 V C 0.168 176.202 176.094 -0.098 0.000 1.061 372 V CA -0.175 62.010 62.300 -0.191 0.000 0.913 372 V CB 0.998 32.593 31.823 -0.381 0.000 1.005 372 V HN 1.143 nan 8.190 nan 0.000 0.428 373 A N 2.772 125.403 122.820 -0.314 0.000 2.533 373 A HA 0.885 5.205 4.320 -0.000 0.000 0.293 373 A C -1.344 175.764 177.584 -0.793 0.000 1.228 373 A CA -0.627 51.085 52.037 -0.542 0.000 0.689 373 A CB 1.805 20.342 19.000 -0.772 0.000 1.303 373 A HN 0.853 nan 8.150 nan 0.000 0.444 374 H N 0.379 119.122 119.070 -0.544 0.000 2.637 374 H HA 0.418 4.974 4.556 -0.000 0.000 0.363 374 H C -1.093 173.956 175.328 -0.465 0.000 1.131 374 H CA -0.363 55.393 56.048 -0.486 0.000 1.183 374 H CB 1.913 31.359 29.762 -0.526 0.000 1.637 374 H HN 0.911 nan 8.280 nan 0.000 0.531 375 D N 0.751 121.093 120.400 -0.096 0.000 2.478 375 D HA 0.217 4.857 4.640 -0.000 0.000 0.274 375 D C 1.357 177.769 176.300 0.187 0.000 1.234 375 D CA -0.369 53.641 54.000 0.017 0.000 1.069 375 D CB 0.312 41.116 40.800 0.006 0.000 1.113 375 D HN 0.443 nan 8.370 nan 0.000 0.571 376 A N -0.044 122.871 122.820 0.158 0.000 1.892 376 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 376 A C 2.031 179.688 177.584 0.121 0.000 1.188 376 A CA 2.893 55.011 52.037 0.135 0.000 0.631 376 A CB -1.426 17.617 19.000 0.071 0.000 0.822 376 A HN 0.697 nan 8.150 nan 0.000 0.447 377 S N -1.676 114.078 115.700 0.090 0.000 2.603 377 S HA 0.327 4.796 4.470 -0.000 0.000 0.229 377 S C 1.530 176.176 174.600 0.076 0.000 0.972 377 S CA 1.117 59.357 58.200 0.066 0.000 0.935 377 S CB -0.566 62.663 63.200 0.048 0.000 0.769 377 S HN 2.014 nan 8.310 nan 0.000 0.536 378 G N 1.092 109.966 108.800 0.122 0.000 2.267 378 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.257 378 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.257 378 G C 0.109 175.078 174.900 0.115 0.000 0.998 378 G CA 0.399 45.559 45.100 0.100 0.000 0.620 378 G HN 0.773 nan 8.290 nan 0.000 0.529 379 K N 1.015 121.466 120.400 0.084 0.000 2.485 379 K HA 0.335 4.655 4.320 -0.000 0.000 0.277 379 K C 0.850 177.466 176.600 0.027 0.000 0.990 379 K CA -0.460 55.867 56.287 0.067 0.000 0.994 379 K CB 0.230 32.750 32.500 0.033 0.000 0.906 379 K HN 0.301 nan 8.250 nan 0.000 0.488 380 R N 2.366 122.849 120.500 -0.028 0.000 2.421 380 R HA 0.091 4.431 4.340 -0.000 0.000 0.305 380 R C -1.053 175.085 176.300 -0.270 0.000 1.039 380 R CA -0.131 55.801 56.100 -0.280 0.000 1.003 380 R CB 0.466 30.619 30.300 -0.246 0.000 0.959 380 R HN 0.301 nan 8.270 nan 0.000 0.427 381 V N 5.766 125.457 119.914 -0.371 0.000 2.540 381 V HA 0.286 4.406 4.120 -0.000 0.000 0.302 381 V C -0.940 175.030 176.094 -0.206 0.000 1.035 381 V CA -0.796 61.382 62.300 -0.203 0.000 0.873 381 V CB 1.581 33.319 31.823 -0.141 0.000 0.992 381 V HN 0.620 nan 8.190 nan 0.000 0.428 382 Y N 5.014 125.306 120.300 -0.014 0.000 2.334 382 Y HA 0.677 5.227 4.550 -0.000 0.000 0.328 382 Y C -0.057 175.921 175.900 0.129 0.000 1.130 382 Y CA -0.196 57.916 58.100 0.019 0.000 1.163 382 Y CB 1.481 39.910 38.460 -0.052 0.000 1.207 382 Y HN 0.728 nan 8.280 nan 0.000 0.471 383 Y N -0.162 120.195 120.300 0.095 0.000 2.638 383 Y HA 0.648 5.198 4.550 -0.000 0.000 0.335 383 Y C -2.115 173.840 175.900 0.092 0.000 1.155 383 Y CA -2.008 56.132 58.100 0.067 0.000 1.046 383 Y CB 0.815 39.285 38.460 0.018 0.000 1.303 383 Y HN 0.449 nan 8.280 nan 0.000 0.460 384 L N 2.578 123.845 121.223 0.074 0.000 2.292 384 L HA 0.601 4.941 4.340 -0.000 0.000 0.284 384 L C 0.035 177.057 176.870 0.254 0.000 1.065 384 L CA -0.224 54.648 54.840 0.053 0.000 0.806 384 L CB 1.700 43.828 42.059 0.115 0.000 1.175 384 L HN 1.024 nan 8.230 nan 0.000 0.431 385 T N 3.701 118.354 114.554 0.164 0.000 2.804 385 T HA 0.783 5.133 4.350 -0.000 0.000 0.290 385 T C -1.150 173.677 174.700 0.211 0.000 1.099 385 T CA -0.611 61.691 62.100 0.336 0.000 1.011 385 T CB 1.791 70.839 68.868 0.300 0.000 1.291 385 T HN 0.794 nan 8.240 nan 0.000 0.523 386 R N 0.516 121.072 120.500 0.093 0.000 2.716 386 R HA 0.460 4.800 4.340 -0.000 0.000 0.271 386 R C -1.435 174.693 176.300 -0.287 0.000 1.028 386 R CA -1.000 55.040 56.100 -0.101 0.000 0.883 386 R CB 0.501 30.695 30.300 -0.176 0.000 1.250 386 R HN 0.526 nan 8.270 nan 0.000 0.465 387 D N 2.080 122.319 120.400 -0.267 0.000 2.487 387 D HA 0.026 4.666 4.640 -0.000 0.000 0.243 387 D C -1.347 174.600 176.300 -0.588 0.000 1.154 387 D CA -1.055 52.739 54.000 -0.344 0.000 0.876 387 D CB 1.226 41.904 40.800 -0.203 0.000 1.161 387 D HN 0.355 nan 8.370 nan 0.000 0.478 388 P HA 0.009 nan 4.420 nan 0.000 0.249 388 P C 1.164 178.135 177.300 -0.548 0.000 1.229 388 P CA 0.096 62.519 63.100 -1.129 0.000 0.788 388 P CB 0.332 31.228 31.700 -1.340 0.000 1.072 389 T N 0.093 114.444 114.554 -0.339 0.000 2.607 389 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 389 T C 1.746 176.376 174.700 -0.116 0.000 1.049 389 T CA 2.529 64.527 62.100 -0.171 0.000 1.162 389 T CB -1.108 67.699 68.868 -0.102 0.000 0.863 389 T HN 0.208 nan 8.240 nan 0.000 0.424 390 T N 2.094 116.586 114.554 -0.102 0.000 2.737 390 T HA -0.042 4.308 4.350 -0.000 0.000 0.265 390 T C -0.549 174.113 174.700 -0.063 0.000 1.038 390 T CA 1.116 63.191 62.100 -0.043 0.000 1.144 390 T CB -1.255 67.634 68.868 0.035 0.000 0.866 390 T HN 0.331 nan 8.240 nan 0.000 0.434 391 P HA -0.024 nan 4.420 nan 0.000 0.216 391 P C 1.473 178.803 177.300 0.050 0.000 1.150 391 P CA 0.962 64.057 63.100 -0.008 0.000 0.843 391 P CB -0.188 31.464 31.700 -0.081 0.000 0.787 392 L N -1.449 119.757 121.223 -0.029 0.000 2.072 392 L HA -0.092 4.248 4.340 -0.000 0.000 0.205 392 L C 2.510 179.411 176.870 0.052 0.000 1.079 392 L CA 1.347 56.196 54.840 0.015 0.000 0.752 392 L CB -1.237 40.792 42.059 -0.050 0.000 0.906 392 L HN -0.065 nan 8.230 nan 0.000 0.436 393 A N 0.518 123.355 122.820 0.029 0.000 1.892 393 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 393 A C 2.376 180.024 177.584 0.108 0.000 1.188 393 A CA 1.809 53.880 52.037 0.058 0.000 0.631 393 A CB -0.538 18.465 19.000 0.005 0.000 0.822 393 A HN 0.345 nan 8.150 nan 0.000 0.447 394 R N -0.765 119.776 120.500 0.068 0.000 2.115 394 R HA 0.027 4.367 4.340 -0.000 0.000 0.226 394 R C 2.415 178.886 176.300 0.284 0.000 1.100 394 R CA 0.942 57.109 56.100 0.111 0.000 0.980 394 R CB -0.406 29.899 30.300 0.007 0.000 0.875 394 R HN 0.521 nan 8.270 nan 0.000 0.445 395 A N 1.316 124.323 122.820 0.312 0.000 1.933 395 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 395 A C 2.325 180.140 177.584 0.386 0.000 1.175 395 A CA 1.639 53.980 52.037 0.506 0.000 0.628 395 A CB -0.433 18.879 19.000 0.521 0.000 0.814 395 A HN 0.375 nan 8.150 nan 0.000 0.444 396 A N -1.473 121.484 122.820 0.228 0.000 1.897 396 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 396 A C 2.077 179.796 177.584 0.225 0.000 1.181 396 A CA 1.170 53.301 52.037 0.156 0.000 0.620 396 A CB -0.788 18.282 19.000 0.117 0.000 0.821 396 A HN 0.824 nan 8.150 nan 0.000 0.443 397 W N 1.235 122.593 121.300 0.096 0.000 2.358 397 W HA -0.154 4.506 4.660 -0.000 0.000 0.303 397 W C 1.500 178.089 176.519 0.118 0.000 1.208 397 W CA 1.965 59.360 57.345 0.084 0.000 1.274 397 W CB -0.252 29.232 29.460 0.041 0.000 1.138 397 W HN 0.537 nan 8.180 nan 0.000 0.515 398 E N -0.791 119.673 120.200 0.441 0.000 2.347 398 E HA -0.122 4.228 4.350 -0.000 0.000 0.196 398 E C 1.972 178.755 176.600 0.304 0.000 1.008 398 E CA 1.447 58.078 56.400 0.385 0.000 0.852 398 E CB -0.123 29.878 29.700 0.502 0.000 0.783 398 E HN 0.069 nan 8.360 nan 0.000 0.505 399 T N 0.021 114.735 114.554 0.266 0.000 2.978 399 T HA 0.026 4.376 4.350 -0.000 0.000 0.262 399 T C 1.808 176.549 174.700 0.068 0.000 1.063 399 T CA 0.979 63.181 62.100 0.170 0.000 1.140 399 T CB 0.125 69.082 68.868 0.149 0.000 0.886 399 T HN 0.215 nan 8.240 nan 0.000 0.470 400 A N 1.001 123.824 122.820 0.005 0.000 1.997 400 A HA 0.292 4.612 4.320 -0.000 0.000 0.212 400 A C 1.124 178.627 177.584 -0.135 0.000 1.178 400 A CA 0.238 52.225 52.037 -0.083 0.000 0.698 400 A CB 0.236 19.151 19.000 -0.142 0.000 0.842 400 A HN 0.301 nan 8.150 nan 0.000 0.458 401 R N -0.206 120.186 120.500 -0.179 0.000 2.686 401 R HA 0.315 4.655 4.340 -0.000 0.000 0.286 401 R C -0.844 175.470 176.300 0.024 0.000 0.969 401 R CA -0.742 55.269 56.100 -0.149 0.000 0.898 401 R CB 1.215 31.285 30.300 -0.383 0.000 1.183 401 R HN 0.488 nan 8.270 nan 0.000 0.456 402 H N 1.581 120.652 119.070 0.003 0.000 2.886 402 H HA 0.046 4.602 4.556 -0.000 0.000 0.329 402 H C -0.996 174.382 175.328 0.083 0.000 1.044 402 H CA 1.120 57.199 56.048 0.051 0.000 1.456 402 H CB 1.045 30.824 29.762 0.029 0.000 1.464 402 H HN 0.415 nan 8.280 nan 0.000 0.573 403 T N 6.676 120.973 114.554 -0.428 0.000 2.886 403 T HA 0.249 4.599 4.350 -0.000 0.000 0.292 403 T C -1.579 172.912 174.700 -0.349 0.000 1.012 403 T CA -1.693 60.288 62.100 -0.198 0.000 0.982 403 T CB 1.415 70.304 68.868 0.036 0.000 1.018 403 T HN 0.555 nan 8.240 nan 0.000 0.451 404 P HA 0.144 nan 4.420 nan 0.000 0.216 404 P C 0.240 177.466 177.300 -0.122 0.000 1.153 404 P CA 0.799 63.798 63.100 -0.168 0.000 0.844 404 P CB 0.312 31.923 31.700 -0.148 0.000 0.787 405 I N 0.762 121.274 120.570 -0.096 0.000 2.377 405 I HA 0.224 4.394 4.170 -0.000 0.000 0.293 405 I C 0.233 176.276 176.117 -0.122 0.000 0.987 405 I CA -0.673 60.568 61.300 -0.098 0.000 1.185 405 I CB 1.357 39.312 38.000 -0.077 0.000 1.341 405 I HN -0.205 nan 8.210 nan 0.000 0.455 406 N N 4.697 123.266 118.700 -0.218 0.000 2.817 406 N HA 0.051 4.791 4.740 -0.000 0.000 0.234 406 N C 1.092 176.320 175.510 -0.470 0.000 1.066 406 N CA -0.057 52.774 53.050 -0.365 0.000 0.926 406 N CB 1.532 39.634 38.487 -0.642 0.000 1.176 406 N HN 0.720 nan 8.380 nan 0.000 0.506 407 S N 1.977 117.557 115.700 -0.201 0.000 2.402 407 S HA -0.141 4.329 4.470 -0.000 0.000 0.233 407 S C 1.840 176.379 174.600 -0.102 0.000 1.030 407 S CA 0.475 58.608 58.200 -0.113 0.000 1.003 407 S CB -0.418 62.779 63.200 -0.005 0.000 0.813 407 S HN 0.779 nan 8.310 nan 0.000 0.477 408 W N 0.903 122.132 121.300 -0.119 0.000 2.363 408 W HA -0.011 4.649 4.660 0.000 0.000 0.296 408 W C 1.725 178.144 176.519 -0.167 0.000 1.212 408 W CA 0.443 57.674 57.345 -0.191 0.000 1.260 408 W CB -1.084 27.983 29.460 -0.655 0.000 1.131 408 W HN 0.363 nan 8.180 nan 0.000 0.530 409 L N 2.846 123.422 121.223 -1.079 0.000 2.093 409 L HA 0.129 4.469 4.340 -0.000 0.000 0.208 409 L C 2.658 179.338 176.870 -0.316 0.000 1.085 409 L CA 2.610 56.941 54.840 -0.849 0.000 0.755 409 L CB -1.368 39.965 42.059 -1.210 0.000 0.904 409 L HN 0.058 nan 8.230 nan 0.000 0.435 410 G N -0.660 107.972 108.800 -0.279 0.000 2.421 410 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.216 410 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.216 410 G C 1.463 176.372 174.900 0.015 0.000 1.171 410 G CA 0.751 45.772 45.100 -0.132 0.000 0.775 410 G HN 0.438 nan 8.290 nan 0.000 0.543 411 N N 0.624 119.397 118.700 0.121 0.000 2.223 411 N HA -0.041 4.699 4.740 -0.000 0.000 0.185 411 N C 2.214 177.882 175.510 0.263 0.000 1.016 411 N CA 0.710 53.960 53.050 0.333 0.000 0.863 411 N CB -0.166 38.576 38.487 0.425 0.000 0.983 411 N HN 0.354 nan 8.380 nan 0.000 0.429 412 I N 0.675 121.350 120.570 0.174 0.000 2.315 412 I HA -0.191 3.979 4.170 -0.000 0.000 0.248 412 I C 1.996 178.167 176.117 0.089 0.000 1.117 412 I CA 0.782 62.161 61.300 0.132 0.000 1.404 412 I CB -0.088 38.048 38.000 0.227 0.000 1.071 412 I HN 0.038 nan 8.210 nan 0.000 0.419 413 I N -0.052 120.574 120.570 0.093 0.000 2.193 413 I HA -0.277 3.893 4.170 -0.000 0.000 0.240 413 I C 2.495 178.722 176.117 0.183 0.000 1.084 413 I CA 1.154 62.535 61.300 0.135 0.000 1.365 413 I CB -0.204 37.855 38.000 0.099 0.000 1.064 413 I HN 0.173 nan 8.210 nan 0.000 0.410 414 M N -0.615 119.021 119.600 0.060 0.000 2.229 414 M HA -0.148 4.332 4.480 -0.000 0.000 0.264 414 M C 1.122 177.282 176.300 -0.234 0.000 1.063 414 M CA 1.807 57.051 55.300 -0.093 0.000 1.114 414 M CB -0.886 31.539 32.600 -0.293 0.000 1.387 414 M HN 0.241 nan 8.290 nan 0.000 0.420 415 Y N -0.988 119.316 120.300 0.006 0.000 2.720 415 Y HA 0.451 5.001 4.550 0.000 0.000 0.268 415 Y C 1.770 177.404 175.900 -0.443 0.000 1.142 415 Y CA -0.225 57.760 58.100 -0.191 0.000 1.193 415 Y CB -0.436 37.881 38.460 -0.239 0.000 1.176 415 Y HN 0.158 nan 8.280 nan 0.000 0.542 416 A N 1.576 124.176 122.820 -0.367 0.000 1.958 416 A HA -0.190 4.130 4.320 -0.000 0.000 0.221 416 A C -0.328 176.962 177.584 -0.491 0.000 1.178 416 A CA 1.796 53.588 52.037 -0.409 0.000 0.642 416 A CB -1.426 17.363 19.000 -0.351 0.000 0.816 416 A HN 0.267 nan 8.150 nan 0.000 0.453 417 P HA 0.012 nan 4.420 nan 0.000 0.236 417 P C 0.655 177.681 177.300 -0.457 0.000 1.177 417 P CA 1.214 64.027 63.100 -0.477 0.000 0.773 417 P CB -0.765 30.668 31.700 -0.445 0.000 0.878 418 T N -1.717 112.559 114.554 -0.462 0.000 2.900 418 T HA 0.087 4.437 4.350 -0.000 0.000 0.307 418 T C 1.261 175.534 174.700 -0.712 0.000 1.065 418 T CA -0.611 61.173 62.100 -0.527 0.000 1.105 418 T CB 0.688 69.053 68.868 -0.838 0.000 0.979 418 T HN -0.137 nan 8.240 nan 0.000 0.544 419 L N 2.282 123.015 121.223 -0.816 0.000 2.079 419 L HA 0.017 4.357 4.340 -0.000 0.000 0.210 419 L C 2.279 178.816 176.870 -0.556 0.000 1.081 419 L CA 1.601 55.906 54.840 -0.891 0.000 0.752 419 L CB -0.971 40.411 42.059 -1.127 0.000 0.896 419 L HN 0.917 nan 8.230 nan 0.000 0.433 420 W N -0.926 120.151 121.300 -0.371 0.000 2.476 420 W HA 0.214 4.874 4.660 -0.000 0.000 0.281 420 W C 1.972 178.332 176.519 -0.264 0.000 1.230 420 W CA 0.581 57.740 57.345 -0.311 0.000 1.287 420 W CB -1.225 28.092 29.460 -0.238 0.000 1.108 420 W HN 0.314 nan 8.180 nan 0.000 0.567 421 A N 1.877 124.193 122.820 -0.839 0.000 1.929 421 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 421 A C 2.254 179.641 177.584 -0.328 0.000 1.176 421 A CA 1.386 53.083 52.037 -0.565 0.000 0.628 421 A CB -0.627 17.885 19.000 -0.813 0.000 0.816 421 A HN 0.282 nan 8.150 nan 0.000 0.444 422 R N -1.018 119.201 120.500 -0.467 0.000 2.062 422 R HA 0.116 4.456 4.340 -0.000 0.000 0.226 422 R C 2.221 178.208 176.300 -0.523 0.000 1.125 422 R CA 1.527 57.344 56.100 -0.472 0.000 0.966 422 R CB -0.309 29.605 30.300 -0.644 0.000 0.861 422 R HN 0.492 nan 8.270 nan 0.000 0.433 423 M N -0.330 118.847 119.600 -0.706 0.000 2.236 423 M HA -0.014 4.466 4.480 -0.000 0.000 0.266 423 M C 1.642 177.755 176.300 -0.312 0.000 1.070 423 M CA 1.407 56.304 55.300 -0.672 0.000 1.137 423 M CB -0.009 32.174 32.600 -0.695 0.000 1.378 423 M HN 0.055 nan 8.290 nan 0.000 0.426 424 I N -0.507 119.758 120.570 -0.508 0.000 2.594 424 I HA -0.087 4.083 4.170 -0.000 0.000 0.237 424 I C 2.019 177.919 176.117 -0.362 0.000 1.071 424 I CA 0.594 61.337 61.300 -0.927 0.000 1.427 424 I CB -0.623 36.846 38.000 -0.885 0.000 1.218 424 I HN 0.033 nan 8.210 nan 0.000 0.444 425 L N -0.049 121.145 121.223 -0.049 0.000 1.989 425 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 425 L C 2.525 179.662 176.870 0.444 0.000 1.071 425 L CA 2.137 57.151 54.840 0.289 0.000 0.749 425 L CB -0.650 41.614 42.059 0.341 0.000 0.890 425 L HN 0.207 nan 8.230 nan 0.000 0.431 426 M N -1.949 117.857 119.600 0.342 0.000 2.086 426 M HA -0.214 4.266 4.480 -0.000 0.000 0.261 426 M C 2.125 178.888 176.300 0.771 0.000 1.067 426 M CA 2.170 57.770 55.300 0.501 0.000 1.116 426 M CB -0.769 31.910 32.600 0.131 0.000 1.348 426 M HN 0.254 nan 8.290 nan 0.000 0.407 427 T N -1.210 113.783 114.554 0.731 0.000 2.708 427 T HA -0.222 4.128 4.350 -0.000 0.000 0.266 427 T C 1.641 176.656 174.700 0.524 0.000 1.037 427 T CA 1.952 64.507 62.100 0.757 0.000 1.146 427 T CB -0.542 68.809 68.868 0.804 0.000 0.865 427 T HN 0.492 nan 8.240 nan 0.000 0.435 428 H N 0.352 119.613 119.070 0.318 0.000 2.293 428 H HA -0.005 4.551 4.556 -0.000 0.000 0.300 428 H C 1.799 177.070 175.328 -0.095 0.000 1.082 428 H CA 1.642 57.766 56.048 0.126 0.000 1.308 428 H CB -0.557 29.139 29.762 -0.109 0.000 1.375 428 H HN 0.386 nan 8.280 nan 0.000 0.495 429 F N -1.159 118.748 119.950 -0.072 0.000 2.259 429 F HA -0.011 4.516 4.527 0.000 0.000 0.298 429 F C 1.832 177.500 175.800 -0.220 0.000 1.088 429 F CA 0.463 58.212 58.000 -0.419 0.000 1.358 429 F CB -0.248 38.216 39.000 -0.893 0.000 1.040 429 F HN 0.152 nan 8.300 nan 0.000 0.505 430 F N -0.304 119.741 119.950 0.158 0.000 2.259 430 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 430 F C 2.726 178.545 175.800 0.031 0.000 1.088 430 F CA 1.345 59.443 58.000 0.163 0.000 1.358 430 F CB -0.772 38.416 39.000 0.313 0.000 1.040 430 F HN -0.046 nan 8.300 nan 0.000 0.505 431 S N 0.608 116.384 115.700 0.128 0.000 2.348 431 S HA -0.192 4.278 4.470 -0.000 0.000 0.221 431 S C 2.145 176.706 174.600 -0.066 0.000 1.033 431 S CA 1.496 59.700 58.200 0.007 0.000 1.010 431 S CB -0.634 62.560 63.200 -0.010 0.000 0.891 431 S HN 0.358 nan 8.310 nan 0.000 0.442 432 I N 0.811 121.274 120.570 -0.178 0.000 2.163 432 I HA -0.160 4.010 4.170 -0.000 0.000 0.243 432 I C 2.364 178.431 176.117 -0.084 0.000 1.085 432 I CA 0.961 62.154 61.300 -0.179 0.000 1.347 432 I CB -0.392 37.427 38.000 -0.302 0.000 1.044 432 I HN 0.317 nan 8.210 nan 0.000 0.408 433 L N -0.206 120.973 121.223 -0.073 0.000 2.046 433 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 433 L C 2.276 179.145 176.870 -0.002 0.000 1.077 433 L CA 1.622 56.439 54.840 -0.038 0.000 0.747 433 L CB -0.924 41.074 42.059 -0.102 0.000 0.896 433 L HN 0.158 nan 8.230 nan 0.000 0.432 434 L N -0.454 120.780 121.223 0.019 0.000 1.989 434 L HA -0.183 4.157 4.340 -0.000 0.000 0.211 434 L C 2.641 179.517 176.870 0.010 0.000 1.071 434 L CA 2.205 57.065 54.840 0.033 0.000 0.749 434 L CB -1.625 40.458 42.059 0.040 0.000 0.890 434 L HN 0.298 nan 8.230 nan 0.000 0.431 435 A N -1.517 121.298 122.820 -0.007 0.000 1.978 435 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 435 A C 1.973 179.554 177.584 -0.005 0.000 1.170 435 A CA 1.680 53.710 52.037 -0.012 0.000 0.636 435 A CB -0.385 18.599 19.000 -0.027 0.000 0.810 435 A HN 0.632 nan 8.150 nan 0.000 0.448 436 Q N -1.058 118.741 119.800 -0.001 0.000 2.198 436 Q HA 0.172 4.512 4.340 -0.000 0.000 0.209 436 Q C -0.769 175.241 176.000 0.018 0.000 0.848 436 Q CA -0.020 55.788 55.803 0.008 0.000 0.974 436 Q CB 0.360 29.105 28.738 0.011 0.000 1.115 436 Q HN 0.696 nan 8.270 nan 0.000 0.494 437 E N 0.605 120.816 120.200 0.019 0.000 2.294 437 E HA -0.278 4.072 4.350 -0.000 0.000 0.228 437 E C 0.019 176.638 176.600 0.033 0.000 1.253 437 E CA 0.140 56.556 56.400 0.027 0.000 0.716 437 E CB -0.740 28.975 29.700 0.024 0.000 1.184 437 E HN 0.430 nan 8.360 nan 0.000 0.374 438 Q N -0.316 119.504 119.800 0.034 0.000 2.220 438 Q HA 0.096 4.436 4.340 -0.000 0.000 0.205 438 Q C 1.578 177.603 176.000 0.042 0.000 0.865 438 Q CA -0.123 55.707 55.803 0.045 0.000 0.960 438 Q CB 0.361 29.133 28.738 0.057 0.000 1.097 438 Q HN 0.303 nan 8.270 nan 0.000 0.493 439 L N 1.052 122.296 121.223 0.036 0.000 2.187 439 L HA -0.163 4.177 4.340 -0.000 0.000 0.213 439 L C 1.349 178.252 176.870 0.054 0.000 1.100 439 L CA 1.847 56.707 54.840 0.033 0.000 0.765 439 L CB 0.066 42.166 42.059 0.068 0.000 0.904 439 L HN 0.083 nan 8.230 nan 0.000 0.437 440 E N -1.238 118.996 120.200 0.057 0.000 2.447 440 E HA 0.013 4.363 4.350 -0.000 0.000 0.195 440 E C 0.671 177.307 176.600 0.060 0.000 1.028 440 E CA 0.124 56.561 56.400 0.061 0.000 0.876 440 E CB -0.004 29.729 29.700 0.055 0.000 0.885 440 E HN 0.197 nan 8.360 nan 0.000 0.500 441 K N 1.460 121.897 120.400 0.061 0.000 2.312 441 K HA 0.381 4.701 4.320 -0.000 0.000 0.287 441 K C -0.463 176.178 176.600 0.068 0.000 1.062 441 K CA -0.321 56.006 56.287 0.065 0.000 0.934 441 K CB 0.633 33.176 32.500 0.071 0.000 1.027 441 K HN 0.020 nan 8.250 nan 0.000 0.478 442 A N 5.202 128.061 122.820 0.066 0.000 2.462 442 A HA 0.341 4.661 4.320 -0.000 0.000 0.243 442 A C -0.458 177.159 177.584 0.054 0.000 1.076 442 A CA -0.256 51.817 52.037 0.060 0.000 0.773 442 A CB 0.145 19.185 19.000 0.066 0.000 1.010 442 A HN 0.767 nan 8.150 nan 0.000 0.493 443 L N 1.348 122.582 121.223 0.019 0.000 2.323 443 L HA 0.427 4.767 4.340 -0.000 0.000 0.265 443 L C -0.881 175.960 176.870 -0.048 0.000 1.012 443 L CA -1.106 53.725 54.840 -0.014 0.000 0.820 443 L CB 1.967 43.984 42.059 -0.071 0.000 1.334 443 L HN 0.534 nan 8.230 nan 0.000 0.427 444 D N 1.123 121.498 120.400 -0.042 0.000 2.264 444 D HA 0.468 5.108 4.640 -0.000 0.000 0.250 444 D C -0.559 175.662 176.300 -0.130 0.000 1.113 444 D CA 0.002 53.982 54.000 -0.034 0.000 0.871 444 D CB 1.441 42.267 40.800 0.042 0.000 1.167 444 D HN 0.614 nan 8.370 nan 0.000 0.447 445 C N 0.780 120.000 119.300 -0.134 0.000 3.171 445 C HA 0.657 5.117 4.460 -0.000 0.000 0.308 445 C C -0.826 174.096 174.990 -0.113 0.000 1.334 445 C CA -0.899 58.012 59.018 -0.180 0.000 1.473 445 C CB 1.383 28.954 27.740 -0.281 0.000 1.866 445 C HN 0.486 nan 8.230 nan 0.000 0.465 446 Q N 0.683 120.417 119.800 -0.109 0.000 2.316 446 Q HA 0.724 5.064 4.340 -0.000 0.000 0.264 446 Q C -1.225 174.725 176.000 -0.083 0.000 0.987 446 Q CA -0.301 55.467 55.803 -0.058 0.000 0.852 446 Q CB 2.066 30.781 28.738 -0.038 0.000 1.287 446 Q HN 0.734 nan 8.270 nan 0.000 0.448 447 I N 2.768 123.298 120.570 -0.067 0.000 2.439 447 I HA 0.184 4.354 4.170 -0.000 0.000 0.283 447 I C -0.689 175.430 176.117 0.003 0.000 1.023 447 I CA -0.526 60.651 61.300 -0.206 0.000 1.100 447 I CB 0.873 38.468 38.000 -0.674 0.000 1.238 447 I HN 0.802 nan 8.210 nan 0.000 0.445 448 Y N 5.071 125.407 120.300 0.060 0.000 3.589 448 Y HA -0.324 4.226 4.550 -0.000 0.000 0.218 448 Y C 1.594 177.465 175.900 -0.049 0.000 1.234 448 Y CA 0.283 58.412 58.100 0.047 0.000 1.576 448 Y CB -1.237 37.267 38.460 0.073 0.000 1.487 448 Y HN 1.016 nan 8.280 nan 0.000 0.616 449 G N -1.483 107.392 108.800 0.125 0.000 2.253 449 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.251 449 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.251 449 G C 0.220 175.123 174.900 0.005 0.000 0.998 449 G CA -0.047 45.084 45.100 0.051 0.000 0.621 449 G HN 1.391 nan 8.290 nan 0.000 0.524 450 A N -0.362 122.451 122.820 -0.013 0.000 2.327 450 A HA 0.625 4.945 4.320 -0.000 0.000 0.283 450 A C 0.738 178.118 177.584 -0.340 0.000 1.127 450 A CA 0.478 52.333 52.037 -0.304 0.000 0.810 450 A CB 0.831 19.476 19.000 -0.592 0.000 1.066 450 A HN 1.582 nan 8.150 nan 0.000 0.492 451 C N 2.800 121.819 119.300 -0.469 0.000 2.435 451 C HA 0.732 5.191 4.460 -0.000 0.000 0.375 451 C C -0.917 173.620 174.990 -0.756 0.000 1.281 451 C CA -0.418 58.388 59.018 -0.354 0.000 1.963 451 C CB -1.434 26.259 27.740 -0.080 0.000 2.490 451 C HN 0.642 nan 8.230 nan 0.000 0.557 452 Y N 2.834 122.901 120.300 -0.389 0.000 2.485 452 Y HA 0.490 5.040 4.550 -0.000 0.000 0.345 452 Y C 0.372 176.117 175.900 -0.258 0.000 0.998 452 Y CA -0.448 57.393 58.100 -0.432 0.000 1.059 452 Y CB 1.796 39.934 38.460 -0.537 0.000 1.234 452 Y HN 0.603 nan 8.280 nan 0.000 0.461 453 S N 3.650 119.320 115.700 -0.050 0.000 2.438 453 S HA 0.723 5.193 4.470 -0.000 0.000 0.316 453 S C -1.052 173.581 174.600 0.054 0.000 1.084 453 S CA -0.324 57.897 58.200 0.036 0.000 1.107 453 S CB -0.394 62.871 63.200 0.108 0.000 0.981 453 S HN 0.556 nan 8.310 nan 0.000 0.466 454 I N 3.715 124.303 120.570 0.031 0.000 2.545 454 I HA 0.371 4.541 4.170 -0.000 0.000 0.292 454 I C -0.316 175.830 176.117 0.048 0.000 1.040 454 I CA -0.709 60.624 61.300 0.054 0.000 1.068 454 I CB 2.315 40.333 38.000 0.030 0.000 1.251 454 I HN 0.577 nan 8.210 nan 0.000 0.424 455 E N 7.396 127.642 120.200 0.077 0.000 2.152 455 E HA 0.167 4.517 4.350 -0.000 0.000 0.285 455 E C -1.624 175.035 176.600 0.097 0.000 1.043 455 E CA -1.614 54.833 56.400 0.078 0.000 0.839 455 E CB 1.033 30.782 29.700 0.081 0.000 1.069 455 E HN 0.340 nan 8.360 nan 0.000 0.399 456 P HA -0.195 nan 4.420 nan 0.000 0.217 456 P C 1.002 178.438 177.300 0.226 0.000 1.148 456 P CA 0.752 63.925 63.100 0.121 0.000 0.828 456 P CB 0.285 31.980 31.700 -0.008 0.000 0.783 457 L N -0.152 121.180 121.223 0.182 0.000 2.700 457 L HA -0.056 4.283 4.340 -0.000 0.000 0.240 457 L C 1.191 178.166 176.870 0.175 0.000 1.162 457 L CA 1.660 56.628 54.840 0.214 0.000 0.874 457 L CB -1.291 40.858 42.059 0.149 0.000 1.001 457 L HN -0.121 nan 8.230 nan 0.000 0.447 458 D N -2.334 118.167 120.400 0.169 0.000 2.433 458 D HA 0.054 4.694 4.640 -0.000 0.000 0.211 458 D C 1.979 178.366 176.300 0.145 0.000 1.114 458 D CA -0.100 53.975 54.000 0.125 0.000 0.837 458 D CB 0.601 41.463 40.800 0.102 0.000 0.984 458 D HN 0.048 nan 8.370 nan 0.000 0.505 459 L N 1.508 122.862 121.223 0.219 0.000 2.051 459 L HA -0.122 4.218 4.340 -0.000 0.000 0.214 459 L C -0.606 176.387 176.870 0.204 0.000 1.076 459 L CA 2.058 57.041 54.840 0.237 0.000 0.758 459 L CB -2.011 40.255 42.059 0.345 0.000 0.890 459 L HN 0.066 nan 8.230 nan 0.000 0.433 460 P HA -0.166 nan 4.420 nan 0.000 0.215 460 P C 1.651 179.015 177.300 0.107 0.000 1.157 460 P CA 1.175 64.346 63.100 0.117 0.000 0.868 460 P CB 0.085 31.698 31.700 -0.145 0.000 0.788 461 Q N -0.564 119.245 119.800 0.014 0.000 1.993 461 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 461 Q C 2.240 178.242 176.000 0.003 0.000 0.984 461 Q CA 1.417 57.211 55.803 -0.014 0.000 0.837 461 Q CB -1.184 27.529 28.738 -0.041 0.000 0.902 461 Q HN 0.203 nan 8.270 nan 0.000 0.423 462 I N 0.195 120.772 120.570 0.011 0.000 2.113 462 I HA -0.334 3.836 4.170 -0.000 0.000 0.242 462 I C 2.111 178.250 176.117 0.037 0.000 1.064 462 I CA 1.388 62.674 61.300 -0.022 0.000 1.320 462 I CB -0.359 37.689 38.000 0.080 0.000 1.028 462 I HN 0.205 nan 8.210 nan 0.000 0.406 463 I N 0.175 120.818 120.570 0.122 0.000 2.226 463 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 463 I C 2.651 178.794 176.117 0.043 0.000 1.100 463 I CA 1.500 62.878 61.300 0.130 0.000 1.374 463 I CB -0.418 37.637 38.000 0.092 0.000 1.057 463 I HN 0.328 nan 8.210 nan 0.000 0.413 464 E N 1.303 121.557 120.200 0.091 0.000 2.017 464 E HA -0.288 4.062 4.350 -0.000 0.000 0.193 464 E C 2.421 179.028 176.600 0.011 0.000 0.997 464 E CA 1.313 57.761 56.400 0.080 0.000 0.804 464 E CB -0.085 29.741 29.700 0.209 0.000 0.757 464 E HN 0.264 nan 8.360 nan 0.000 0.448 465 R N 0.100 120.590 120.500 -0.018 0.000 2.127 465 R HA -0.101 4.239 4.340 -0.000 0.000 0.238 465 R C 2.497 178.738 176.300 -0.097 0.000 1.134 465 R CA 1.022 57.084 56.100 -0.062 0.000 0.975 465 R CB -0.065 30.176 30.300 -0.099 0.000 0.865 465 R HN 0.291 nan 8.270 nan 0.000 0.447 466 L N -1.358 119.793 121.223 -0.120 0.000 2.095 466 L HA -0.106 4.234 4.340 -0.000 0.000 0.204 466 L C 1.791 178.431 176.870 -0.383 0.000 1.080 466 L CA 1.007 55.699 54.840 -0.247 0.000 0.759 466 L CB -0.222 41.688 42.059 -0.249 0.000 0.914 466 L HN 0.366 nan 8.230 nan 0.000 0.439 467 H N -1.234 117.772 119.070 -0.106 0.000 3.058 467 H HA 0.284 4.840 4.556 -0.000 0.000 0.258 467 H C 0.760 176.015 175.328 -0.121 0.000 1.015 467 H CA 0.813 56.786 56.048 -0.124 0.000 1.210 467 H CB 1.193 30.856 29.762 -0.166 0.000 1.481 467 H HN 0.292 nan 8.280 nan 0.000 0.492 468 G N 1.098 109.891 108.800 -0.011 0.000 2.690 468 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.686 468 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.686 468 G C 0.283 175.156 174.900 -0.044 0.000 1.277 468 G CA -0.219 44.873 45.100 -0.013 0.000 0.799 468 G HN 0.144 nan 8.290 nan 0.000 0.613 469 L N 1.571 122.826 121.223 0.054 0.000 2.261 469 L HA -0.009 4.331 4.340 -0.000 0.000 0.216 469 L C 3.063 179.992 176.870 0.099 0.000 1.114 469 L CA 3.070 58.019 54.840 0.182 0.000 0.777 469 L CB -0.617 41.579 42.059 0.228 0.000 0.910 469 L HN 1.226 nan 8.230 nan 0.000 0.440 470 S N -1.654 114.046 115.700 -0.001 0.000 2.474 470 S HA -0.062 4.408 4.470 -0.000 0.000 0.235 470 S C 2.042 176.560 174.600 -0.138 0.000 0.997 470 S CA 0.581 58.763 58.200 -0.031 0.000 0.949 470 S CB -0.649 62.527 63.200 -0.040 0.000 0.766 470 S HN 0.395 nan 8.310 nan 0.000 0.517 471 A N 0.629 123.266 122.820 -0.305 0.000 2.178 471 A HA 0.200 4.519 4.320 -0.000 0.000 0.218 471 A C 1.478 178.774 177.584 -0.479 0.000 1.157 471 A CA 0.736 52.484 52.037 -0.482 0.000 0.689 471 A CB -0.865 17.748 19.000 -0.644 0.000 0.787 471 A HN 0.655 nan 8.150 nan 0.000 0.465 472 F N -1.122 118.845 119.950 0.029 0.000 2.721 472 F HA 0.083 4.610 4.527 -0.000 0.000 0.301 472 F C 2.250 178.091 175.800 0.068 0.000 1.096 472 F CA 0.825 58.862 58.000 0.063 0.000 1.308 472 F CB 0.489 39.555 39.000 0.110 0.000 1.086 472 F HN 0.285 nan 8.300 nan 0.000 0.587 473 T N -2.681 111.972 114.554 0.164 0.000 2.975 473 T HA 0.280 4.630 4.350 -0.000 0.000 0.261 473 T C 0.529 175.312 174.700 0.139 0.000 0.984 473 T CA -0.088 62.104 62.100 0.154 0.000 0.911 473 T CB -0.412 68.537 68.868 0.135 0.000 1.127 473 T HN -0.053 nan 8.240 nan 0.000 0.514 474 L N 3.509 124.728 121.223 -0.006 0.000 2.593 474 L HA 0.246 4.586 4.340 -0.000 0.000 0.287 474 L C 0.688 177.493 176.870 -0.107 0.000 1.243 474 L CA 0.423 55.144 54.840 -0.197 0.000 0.890 474 L CB -0.115 41.669 42.059 -0.459 0.000 1.134 474 L HN 0.680 nan 8.230 nan 0.000 0.502 475 H N -1.451 117.432 119.070 -0.312 0.000 2.928 475 H HA 0.424 4.980 4.556 -0.000 0.000 0.285 475 H C -0.088 175.112 175.328 -0.214 0.000 1.438 475 H CA -0.740 55.203 56.048 -0.174 0.000 1.176 475 H CB 0.949 30.708 29.762 -0.004 0.000 1.864 475 H HN 0.357 nan 8.280 nan 0.000 0.567 476 S N -0.905 114.807 115.700 0.020 0.000 3.628 476 S HA -0.250 4.220 4.470 -0.000 0.000 0.373 476 S C -0.598 173.996 174.600 -0.011 0.000 0.968 476 S CA 0.530 58.745 58.200 0.026 0.000 1.215 476 S CB -2.594 60.580 63.200 -0.042 0.000 0.912 476 S HN 0.504 nan 8.310 nan 0.000 0.495 477 Y N 2.076 122.399 120.300 0.039 0.000 2.426 477 Y HA 0.249 4.799 4.550 -0.000 0.000 0.344 477 Y C 1.486 177.425 175.900 0.064 0.000 1.256 477 Y CA 0.434 58.560 58.100 0.043 0.000 1.451 477 Y CB 0.391 38.875 38.460 0.039 0.000 1.342 477 Y HN 0.529 nan 8.280 nan 0.000 0.600 478 S N 2.001 117.840 115.700 0.233 0.000 2.573 478 S HA 0.059 4.529 4.470 -0.000 0.000 0.277 478 S C -1.963 172.713 174.600 0.127 0.000 1.346 478 S CA -1.075 57.207 58.200 0.137 0.000 1.034 478 S CB 1.013 64.270 63.200 0.094 0.000 0.879 478 S HN 0.455 nan 8.310 nan 0.000 0.528 479 P HA -0.035 nan 4.420 nan 0.000 0.215 479 P C 1.799 179.134 177.300 0.059 0.000 1.157 479 P CA 1.771 64.912 63.100 0.069 0.000 0.874 479 P CB -0.513 31.218 31.700 0.052 0.000 0.790 480 G N -0.238 108.592 108.800 0.049 0.000 2.440 480 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.218 480 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.218 480 G C 1.661 176.584 174.900 0.039 0.000 1.154 480 G CA 1.023 46.144 45.100 0.034 0.000 0.767 480 G HN 0.262 nan 8.290 nan 0.000 0.552 481 E N 0.714 120.954 120.200 0.067 0.000 2.031 481 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 481 E C 2.471 179.105 176.600 0.057 0.000 0.994 481 E CA 0.953 57.403 56.400 0.083 0.000 0.800 481 E CB -0.422 29.381 29.700 0.171 0.000 0.752 481 E HN 0.492 nan 8.360 nan 0.000 0.447 482 I N 0.774 121.384 120.570 0.066 0.000 2.208 482 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 482 I C 2.159 178.293 176.117 0.029 0.000 1.097 482 I CA 1.500 62.827 61.300 0.043 0.000 1.363 482 I CB -0.519 37.523 38.000 0.070 0.000 1.051 482 I HN 0.250 nan 8.210 nan 0.000 0.413 483 N N 0.446 119.164 118.700 0.030 0.000 2.142 483 N HA -0.215 4.525 4.740 -0.000 0.000 0.186 483 N C 2.027 177.539 175.510 0.002 0.000 1.023 483 N CA 0.880 53.941 53.050 0.018 0.000 0.852 483 N CB -0.137 38.361 38.487 0.019 0.000 0.998 483 N HN 0.302 nan 8.380 nan 0.000 0.424 484 R N 1.459 121.955 120.500 -0.006 0.000 2.080 484 R HA -0.116 4.224 4.340 -0.000 0.000 0.236 484 R C 2.126 178.392 176.300 -0.057 0.000 1.137 484 R CA 1.224 57.304 56.100 -0.034 0.000 0.943 484 R CB -0.383 29.891 30.300 -0.042 0.000 0.846 484 R HN -0.024 nan 8.270 nan 0.000 0.431 485 V N 1.251 121.135 119.914 -0.050 0.000 2.233 485 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 485 V C 2.540 178.615 176.094 -0.031 0.000 1.050 485 V CA 2.090 64.354 62.300 -0.060 0.000 1.010 485 V CB -1.032 30.779 31.823 -0.020 0.000 0.637 485 V HN 0.626 nan 8.190 nan 0.000 0.444 486 A N -0.489 122.329 122.820 -0.004 0.000 1.869 486 A HA -0.331 3.989 4.320 -0.000 0.000 0.218 486 A C 2.571 180.161 177.584 0.011 0.000 1.203 486 A CA 2.782 54.828 52.037 0.015 0.000 0.638 486 A CB -1.198 17.817 19.000 0.024 0.000 0.831 486 A HN 0.516 nan 8.150 nan 0.000 0.450 487 S N -1.430 114.271 115.700 0.001 0.000 2.374 487 S HA -0.255 4.215 4.470 -0.000 0.000 0.227 487 S C 2.071 176.669 174.600 -0.004 0.000 1.037 487 S CA 1.830 60.031 58.200 0.001 0.000 1.024 487 S CB -1.030 62.166 63.200 -0.007 0.000 0.861 487 S HN 0.805 nan 8.310 nan 0.000 0.456 488 C N 1.303 120.586 119.300 -0.029 0.000 2.446 488 C HA 0.092 4.552 4.460 -0.000 0.000 0.277 488 C C 2.469 177.451 174.990 -0.014 0.000 1.275 488 C CA 0.816 59.809 59.018 -0.043 0.000 1.727 488 C CB -1.700 25.975 27.740 -0.109 0.000 2.010 488 C HN 0.698 nan 8.230 nan 0.000 0.486 489 L N 0.510 121.733 121.223 -0.000 0.000 2.131 489 L HA -0.103 4.237 4.340 -0.000 0.000 0.210 489 L C 2.952 179.842 176.870 0.033 0.000 1.092 489 L CA 1.677 56.535 54.840 0.029 0.000 0.759 489 L CB -0.994 41.105 42.059 0.066 0.000 0.903 489 L HN 0.410 nan 8.230 nan 0.000 0.435 490 R N 0.913 121.438 120.500 0.041 0.000 2.075 490 R HA -0.172 4.168 4.340 -0.000 0.000 0.232 490 R C 2.387 178.753 176.300 0.110 0.000 1.126 490 R CA 1.400 57.538 56.100 0.065 0.000 0.963 490 R CB -0.005 30.326 30.300 0.052 0.000 0.858 490 R HN 0.240 nan 8.270 nan 0.000 0.435 491 K N 0.358 120.810 120.400 0.086 0.000 2.001 491 K HA -0.089 4.231 4.320 -0.000 0.000 0.208 491 K C 1.892 178.622 176.600 0.217 0.000 1.048 491 K CA 1.296 57.652 56.287 0.114 0.000 0.932 491 K CB 0.012 32.546 32.500 0.056 0.000 0.715 491 K HN 0.218 nan 8.250 nan 0.000 0.437 492 L N -0.443 120.852 121.223 0.121 0.000 2.567 492 L HA 0.158 4.498 4.340 -0.000 0.000 0.225 492 L C 0.788 177.575 176.870 -0.138 0.000 1.119 492 L CA 0.349 55.242 54.840 0.089 0.000 0.871 492 L CB 0.292 42.372 42.059 0.035 0.000 1.036 492 L HN 0.496 nan 8.230 nan 0.000 0.459 493 G N 1.173 109.805 108.800 -0.281 0.000 2.256 493 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.272 493 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.272 493 G C -0.091 174.678 174.900 -0.219 0.000 1.076 493 G CA -0.071 44.680 45.100 -0.581 0.000 0.882 493 G HN 0.084 nan 8.290 nan 0.000 0.497 494 V N 2.017 121.901 119.914 -0.050 0.000 2.465 494 V HA 0.440 4.560 4.120 -0.000 0.000 0.279 494 V C -0.925 175.249 176.094 0.133 0.000 1.045 494 V CA -1.398 60.956 62.300 0.090 0.000 0.938 494 V CB 1.472 33.383 31.823 0.147 0.000 0.986 494 V HN 0.328 nan 8.190 nan 0.000 0.467 495 P HA 0.120 nan 4.420 nan 0.000 0.267 495 P C -2.610 174.796 177.300 0.177 0.000 1.201 495 P CA -0.976 62.137 63.100 0.021 0.000 0.775 495 P CB -0.325 31.216 31.700 -0.265 0.000 0.854 496 P HA 0.113 nan 4.420 nan 0.000 0.272 496 P C 1.358 178.826 177.300 0.279 0.000 1.223 496 P CA -0.191 63.005 63.100 0.161 0.000 0.784 496 P CB 0.848 32.597 31.700 0.082 0.000 0.923 497 L N 1.484 122.887 121.223 0.300 0.000 2.021 497 L HA -0.272 4.068 4.340 -0.000 0.000 0.215 497 L C 2.880 179.951 176.870 0.335 0.000 1.074 497 L CA 2.117 57.170 54.840 0.355 0.000 0.760 497 L CB -0.852 41.315 42.059 0.181 0.000 0.889 497 L HN 0.503 nan 8.230 nan 0.000 0.433 498 R N -0.633 119.995 120.500 0.213 0.000 2.117 498 R HA -0.173 4.167 4.340 -0.000 0.000 0.243 498 R C 1.954 178.357 176.300 0.171 0.000 1.143 498 R CA 2.006 58.215 56.100 0.183 0.000 0.968 498 R CB -1.510 28.858 30.300 0.113 0.000 0.863 498 R HN 0.266 nan 8.270 nan 0.000 0.444 499 T N 0.647 115.250 114.554 0.083 0.000 2.788 499 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 499 T C 1.380 176.075 174.700 -0.009 0.000 1.044 499 T CA 1.657 63.730 62.100 -0.045 0.000 1.139 499 T CB -0.258 68.471 68.868 -0.232 0.000 0.867 499 T HN 0.460 nan 8.240 nan 0.000 0.454 500 W N 1.487 122.903 121.300 0.193 0.000 2.363 500 W HA 0.031 4.691 4.660 0.000 0.000 0.296 500 W C 2.676 179.423 176.519 0.380 0.000 1.212 500 W CA 0.461 57.964 57.345 0.265 0.000 1.260 500 W CB -0.272 29.334 29.460 0.244 0.000 1.131 500 W HN 0.096 nan 8.180 nan 0.000 0.530 501 R N -0.245 120.620 120.500 0.609 0.000 2.139 501 R HA -0.264 4.075 4.340 -0.000 0.000 0.243 501 R C 2.033 178.470 176.300 0.229 0.000 1.145 501 R CA 2.173 58.567 56.100 0.489 0.000 0.976 501 R CB -0.582 29.966 30.300 0.413 0.000 0.866 501 R HN 0.305 nan 8.270 nan 0.000 0.449 502 H N 0.098 119.239 119.070 0.119 0.000 2.276 502 H HA 0.010 4.566 4.556 0.000 0.000 0.301 502 H C 1.989 177.317 175.328 0.000 0.000 1.073 502 H CA 2.060 58.122 56.048 0.024 0.000 1.311 502 H CB 0.066 29.821 29.762 -0.011 0.000 1.379 502 H HN 0.107 nan 8.280 nan 0.000 0.494 503 R N 0.068 120.593 120.500 0.041 0.000 2.139 503 R HA -0.139 4.201 4.340 -0.000 0.000 0.243 503 R C 2.497 178.758 176.300 -0.065 0.000 1.145 503 R CA 1.014 57.100 56.100 -0.024 0.000 0.976 503 R CB -0.357 29.987 30.300 0.073 0.000 0.866 503 R HN 0.421 nan 8.270 nan 0.000 0.449 504 A N 1.383 124.215 122.820 0.019 0.000 1.877 504 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 504 A C 2.077 179.441 177.584 -0.368 0.000 1.186 504 A CA 1.183 53.126 52.037 -0.157 0.000 0.620 504 A CB -0.363 18.600 19.000 -0.062 0.000 0.822 504 A HN 0.219 nan 8.150 nan 0.000 0.443 505 R N -0.570 119.751 120.500 -0.298 0.000 2.096 505 R HA -0.142 4.197 4.340 -0.000 0.000 0.240 505 R C 2.657 178.790 176.300 -0.278 0.000 1.139 505 R CA 1.633 57.561 56.100 -0.287 0.000 0.952 505 R CB -0.565 29.592 30.300 -0.237 0.000 0.854 505 R HN 0.570 nan 8.270 nan 0.000 0.436 506 S N 0.322 115.847 115.700 -0.293 0.000 2.356 506 S HA -0.107 4.363 4.470 -0.000 0.000 0.223 506 S C 2.096 176.564 174.600 -0.221 0.000 1.032 506 S CA 1.320 59.377 58.200 -0.238 0.000 1.005 506 S CB -0.163 62.896 63.200 -0.235 0.000 0.867 506 S HN 0.125 nan 8.310 nan 0.000 0.449 507 V N 2.833 122.582 119.914 -0.274 0.000 2.287 507 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 507 V C 2.739 178.623 176.094 -0.349 0.000 1.053 507 V CA 2.369 64.486 62.300 -0.306 0.000 1.027 507 V CB -0.873 30.687 31.823 -0.439 0.000 0.646 507 V HN 0.554 nan 8.190 nan 0.000 0.447 508 R N 0.371 120.585 120.500 -0.477 0.000 2.105 508 R HA -0.192 4.148 4.340 -0.000 0.000 0.239 508 R C 2.204 178.400 176.300 -0.173 0.000 1.135 508 R CA 1.855 57.760 56.100 -0.325 0.000 0.967 508 R CB -0.436 29.692 30.300 -0.286 0.000 0.861 508 R HN 0.482 nan 8.270 nan 0.000 0.442 509 A N 1.204 123.922 122.820 -0.170 0.000 1.930 509 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 509 A C 1.946 179.481 177.584 -0.082 0.000 1.175 509 A CA 1.478 53.447 52.037 -0.114 0.000 0.627 509 A CB -0.246 18.685 19.000 -0.116 0.000 0.815 509 A HN 0.383 nan 8.150 nan 0.000 0.443 510 K N -0.333 120.014 120.400 -0.088 0.000 2.148 510 K HA 0.036 4.356 4.320 -0.000 0.000 0.204 510 K C 1.794 178.381 176.600 -0.021 0.000 1.050 510 K CA 1.038 57.295 56.287 -0.051 0.000 0.942 510 K CB -0.307 32.163 32.500 -0.050 0.000 0.724 510 K HN 0.439 nan 8.250 nan 0.000 0.446 511 L N 0.772 121.980 121.223 -0.025 0.000 2.005 511 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 511 L C 2.322 179.204 176.870 0.020 0.000 1.072 511 L CA 1.050 55.905 54.840 0.024 0.000 0.744 511 L CB -0.430 41.651 42.059 0.036 0.000 0.895 511 L HN 0.144 nan 8.230 nan 0.000 0.433 512 L N -0.126 121.093 121.223 -0.006 0.000 2.129 512 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 512 L C 2.750 179.619 176.870 -0.002 0.000 1.087 512 L CA 1.606 56.443 54.840 -0.005 0.000 0.757 512 L CB -0.557 41.485 42.059 -0.027 0.000 0.896 512 L HN 0.417 nan 8.230 nan 0.000 0.434 513 S N -1.426 114.270 115.700 -0.008 0.000 2.515 513 S HA -0.139 4.330 4.470 -0.000 0.000 0.231 513 S C 1.687 176.291 174.600 0.007 0.000 0.987 513 S CA 0.540 58.737 58.200 -0.005 0.000 0.936 513 S CB -0.078 63.114 63.200 -0.013 0.000 0.766 513 S HN 0.525 nan 8.310 nan 0.000 0.528 514 Q N 0.595 120.406 119.800 0.018 0.000 2.402 514 Q HA 0.314 4.653 4.340 -0.000 0.000 0.206 514 Q C 1.180 177.198 176.000 0.030 0.000 0.919 514 Q CA 0.177 55.997 55.803 0.028 0.000 0.923 514 Q CB 0.174 28.938 28.738 0.043 0.000 1.048 514 Q HN 0.725 nan 8.270 nan 0.000 0.515 515 G N 0.385 109.202 108.800 0.029 0.000 2.915 515 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.337 515 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.337 515 G C 0.407 175.331 174.900 0.039 0.000 1.477 515 G CA -0.195 44.923 45.100 0.029 0.000 0.916 515 G HN 0.701 nan 8.290 nan 0.000 0.550 516 G N -0.597 108.224 108.800 0.036 0.000 2.552 516 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.265 516 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.265 516 G C 1.108 176.037 174.900 0.049 0.000 1.234 516 G CA 1.081 46.204 45.100 0.039 0.000 0.944 516 G HN 1.439 nan 8.290 nan 0.000 0.568 517 R N 0.106 120.639 120.500 0.054 0.000 2.105 517 R HA -0.028 4.312 4.340 -0.000 0.000 0.239 517 R C 3.250 179.611 176.300 0.101 0.000 1.135 517 R CA 2.234 58.374 56.100 0.067 0.000 0.967 517 R CB -0.645 29.700 30.300 0.075 0.000 0.861 517 R HN 0.788 nan 8.270 nan 0.000 0.442 518 A N 1.140 124.026 122.820 0.111 0.000 1.940 518 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 518 A C 2.357 180.009 177.584 0.114 0.000 1.176 518 A CA 1.786 53.908 52.037 0.143 0.000 0.631 518 A CB -0.586 18.488 19.000 0.123 0.000 0.814 518 A HN 0.424 nan 8.150 nan 0.000 0.446 519 A N -1.089 121.778 122.820 0.079 0.000 1.898 519 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 519 A C 2.288 179.920 177.584 0.079 0.000 1.181 519 A CA 2.211 54.286 52.037 0.062 0.000 0.620 519 A CB -1.264 17.763 19.000 0.045 0.000 0.819 519 A HN 0.427 nan 8.150 nan 0.000 0.442 520 T N -0.631 113.975 114.554 0.087 0.000 2.759 520 T HA -0.202 4.148 4.350 -0.000 0.000 0.269 520 T C 1.867 176.640 174.700 0.121 0.000 1.042 520 T CA 1.593 63.760 62.100 0.112 0.000 1.140 520 T CB -0.721 68.150 68.868 0.005 0.000 0.864 520 T HN 0.577 nan 8.240 nan 0.000 0.455 521 C N 1.341 120.699 119.300 0.096 0.000 2.425 521 C HA 0.036 4.496 4.460 -0.000 0.000 0.277 521 C C 3.056 178.107 174.990 0.102 0.000 1.280 521 C CA 0.393 59.453 59.018 0.069 0.000 1.744 521 C CB -1.558 26.253 27.740 0.118 0.000 1.989 521 C HN 0.733 nan 8.230 nan 0.000 0.491 522 G N 0.507 109.375 108.800 0.112 0.000 2.433 522 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.216 522 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.216 522 G C 1.747 176.682 174.900 0.059 0.000 1.186 522 G CA 0.469 45.631 45.100 0.103 0.000 0.779 522 G HN 0.580 nan 8.290 nan 0.000 0.543 523 R N -0.757 119.751 120.500 0.013 0.000 2.070 523 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 523 R C 2.424 178.586 176.300 -0.229 0.000 1.138 523 R CA 1.624 57.652 56.100 -0.120 0.000 0.936 523 R CB -0.626 29.573 30.300 -0.169 0.000 0.839 523 R HN 0.452 nan 8.270 nan 0.000 0.429 524 Y N 0.932 121.064 120.300 -0.280 0.000 2.176 524 Y HA -0.006 4.544 4.550 -0.000 0.000 0.291 524 Y C 2.290 177.988 175.900 -0.337 0.000 1.122 524 Y CA 0.886 58.633 58.100 -0.589 0.000 1.128 524 Y CB -0.337 37.450 38.460 -1.121 0.000 1.005 524 Y HN -0.079 nan 8.280 nan 0.000 0.509 525 L N -1.870 119.311 121.223 -0.069 0.000 2.291 525 L HA -0.113 4.227 4.340 -0.000 0.000 0.214 525 L C 0.572 177.198 176.870 -0.408 0.000 1.120 525 L CA 1.287 56.014 54.840 -0.189 0.000 0.799 525 L CB -0.334 41.427 42.059 -0.497 0.000 0.925 525 L HN 0.186 nan 8.230 nan 0.000 0.446 526 F N -1.701 118.233 119.950 -0.028 0.000 2.814 526 F HA 0.193 4.720 4.527 -0.000 0.000 0.326 526 F C 1.386 176.873 175.800 -0.523 0.000 1.159 526 F CA -0.352 57.428 58.000 -0.367 0.000 1.234 526 F CB -0.201 38.585 39.000 -0.356 0.000 1.016 526 F HN -0.112 nan 8.300 nan 0.000 0.510 527 N N 0.711 119.332 118.700 -0.131 0.000 2.512 527 N HA -0.125 4.615 4.740 -0.000 0.000 0.183 527 N C 1.801 177.282 175.510 -0.049 0.000 1.073 527 N CA 0.935 53.920 53.050 -0.108 0.000 0.911 527 N CB -0.061 38.382 38.487 -0.073 0.000 0.964 527 N HN 0.512 nan 8.380 nan 0.000 0.447 528 W N -1.226 120.116 121.300 0.071 0.000 2.800 528 W HA 0.284 4.944 4.660 -0.000 0.000 0.249 528 W C 0.928 177.504 176.519 0.094 0.000 1.294 528 W CA 0.483 57.876 57.345 0.080 0.000 1.402 528 W CB -0.606 28.907 29.460 0.088 0.000 1.126 528 W HN 0.028 nan 8.180 nan 0.000 0.652 529 A N 1.427 123.893 122.820 -0.591 0.000 2.220 529 A HA 0.264 4.584 4.320 -0.000 0.000 0.211 529 A C 0.885 178.333 177.584 -0.226 0.000 1.176 529 A CA 0.824 52.511 52.037 -0.584 0.000 0.834 529 A CB -0.650 17.704 19.000 -1.076 0.000 0.868 529 A HN 0.100 nan 8.150 nan 0.000 0.488 530 V N -3.570 116.243 119.914 -0.168 0.000 2.630 530 V HA 0.530 4.650 4.120 -0.000 0.000 0.305 530 V C 0.937 177.005 176.094 -0.043 0.000 1.046 530 V CA -0.780 61.462 62.300 -0.096 0.000 0.934 530 V CB 1.532 33.291 31.823 -0.107 0.000 1.003 530 V HN 0.325 nan 8.190 nan 0.000 0.451 531 R N 1.205 121.688 120.500 -0.027 0.000 2.127 531 R HA 0.012 4.352 4.340 -0.000 0.000 0.217 531 R C 1.358 177.640 176.300 -0.031 0.000 1.074 531 R CA 1.136 57.226 56.100 -0.017 0.000 0.991 531 R CB 0.024 30.319 30.300 -0.007 0.000 0.895 531 R HN 0.881 nan 8.270 nan 0.000 0.450 532 T N 1.980 116.511 114.554 -0.039 0.000 4.475 532 T HA 0.089 4.439 4.350 -0.000 0.000 0.254 532 T C -0.522 174.146 174.700 -0.054 0.000 1.160 532 T CA -0.132 61.942 62.100 -0.043 0.000 1.091 532 T CB -0.391 68.451 68.868 -0.043 0.000 1.377 532 T HN 0.081 nan 8.240 nan 0.000 1.057 533 K N 2.958 123.328 120.400 -0.051 0.000 2.395 533 K HA 0.086 4.406 4.320 -0.000 0.000 0.283 533 K C 0.042 176.600 176.600 -0.070 0.000 1.068 533 K CA -0.518 55.734 56.287 -0.058 0.000 1.039 533 K CB 0.276 32.749 32.500 -0.044 0.000 0.924 533 K HN 0.297 nan 8.250 nan 0.000 0.468 534 L N 4.356 125.522 121.223 -0.095 0.000 2.477 534 L HA -0.010 4.330 4.340 -0.000 0.000 0.272 534 L C 0.248 177.040 176.870 -0.131 0.000 1.157 534 L CA 0.441 55.214 54.840 -0.112 0.000 0.889 534 L CB 0.152 42.128 42.059 -0.138 0.000 1.158 534 L HN 0.354 nan 8.230 nan 0.000 0.473 535 K N 5.790 126.130 120.400 -0.100 0.000 2.466 535 K HA 0.054 4.374 4.320 -0.000 0.000 0.278 535 K C -0.826 175.689 176.600 -0.142 0.000 1.048 535 K CA 0.470 56.704 56.287 -0.089 0.000 1.088 535 K CB -0.102 32.366 32.500 -0.054 0.000 0.884 535 K HN 0.558 nan 8.250 nan 0.000 0.478 536 L N 4.026 125.166 121.223 -0.139 0.000 2.262 536 L HA 0.218 4.558 4.340 -0.000 0.000 0.288 536 L C 0.885 177.742 176.870 -0.022 0.000 1.035 536 L CA -0.708 53.999 54.840 -0.222 0.000 0.820 536 L CB 1.228 43.138 42.059 -0.249 0.000 1.204 536 L HN 0.612 nan 8.230 nan 0.000 0.424 537 T N 0.543 115.116 114.554 0.033 0.000 2.943 537 T HA 0.554 4.904 4.350 -0.000 0.000 0.284 537 T C -2.573 172.257 174.700 0.218 0.000 1.015 537 T CA -2.304 59.863 62.100 0.112 0.000 1.042 537 T CB 1.514 70.427 68.868 0.074 0.000 1.055 537 T HN 0.163 nan 8.240 nan 0.000 0.500 538 P HA 0.158 nan 4.420 nan 0.000 0.262 538 P C -0.214 177.141 177.300 0.092 0.000 1.182 538 P CA -0.014 63.169 63.100 0.138 0.000 0.761 538 P CB 0.033 31.784 31.700 0.084 0.000 0.795 539 I N 6.366 126.944 120.570 0.012 0.000 2.648 539 I HA 0.008 4.178 4.170 -0.000 0.000 0.284 539 I C -1.048 175.043 176.117 -0.044 0.000 1.153 539 I CA -1.510 59.732 61.300 -0.096 0.000 1.426 539 I CB 0.632 38.454 38.000 -0.296 0.000 1.381 539 I HN 0.332 nan 8.210 nan 0.000 0.571 540 P HA -0.185 nan 4.420 nan 0.000 0.215 540 P C 1.300 178.582 177.300 -0.030 0.000 1.153 540 P CA 1.237 64.326 63.100 -0.019 0.000 0.853 540 P CB 0.212 31.905 31.700 -0.011 0.000 0.788 541 A N -0.133 122.660 122.820 -0.045 0.000 2.015 541 A HA 0.130 4.450 4.320 -0.000 0.000 0.219 541 A C 1.522 179.075 177.584 -0.051 0.000 1.163 541 A CA 0.919 52.930 52.037 -0.045 0.000 0.646 541 A CB -1.350 17.622 19.000 -0.047 0.000 0.806 541 A HN 0.227 nan 8.150 nan 0.000 0.448 542 A N -0.480 122.306 122.820 -0.056 0.000 2.545 542 A HA 0.508 4.828 4.320 -0.000 0.000 0.297 542 A C 0.848 178.408 177.584 -0.040 0.000 1.340 542 A CA 0.784 52.791 52.037 -0.050 0.000 1.016 542 A CB -0.343 18.637 19.000 -0.033 0.000 1.122 542 A HN 1.269 nan 8.150 nan 0.000 0.537 543 S N 1.351 117.020 115.700 -0.053 0.000 2.254 543 S HA -0.116 4.354 4.470 -0.000 0.000 0.183 543 S C 0.595 175.166 174.600 -0.049 0.000 0.611 543 S CA 0.628 58.802 58.200 -0.044 0.000 1.225 543 S CB -1.212 61.972 63.200 -0.026 0.000 0.789 543 S HN 0.698 nan 8.310 nan 0.000 0.483 544 Q N 1.737 121.509 119.800 -0.048 0.000 2.225 544 Q HA 0.448 4.788 4.340 -0.000 0.000 0.259 544 Q C -0.659 175.309 176.000 -0.054 0.000 0.872 544 Q CA -0.199 55.578 55.803 -0.043 0.000 1.042 544 Q CB 0.611 29.331 28.738 -0.030 0.000 1.142 544 Q HN 0.535 nan 8.270 nan 0.000 0.463 545 L N -2.633 118.542 121.223 -0.080 0.000 2.271 545 L HA 0.603 4.943 4.340 -0.000 0.000 0.265 545 L C -0.181 176.612 176.870 -0.129 0.000 1.013 545 L CA -1.130 53.650 54.840 -0.101 0.000 0.820 545 L CB 0.525 42.506 42.059 -0.130 0.000 1.352 545 L HN -0.240 nan 8.230 nan 0.000 0.443 546 D N 0.363 120.680 120.400 -0.138 0.000 2.499 546 D HA 0.394 5.034 4.640 -0.000 0.000 0.225 546 D C -0.416 175.714 176.300 -0.283 0.000 1.124 546 D CA 0.067 53.986 54.000 -0.135 0.000 0.938 546 D CB 0.334 41.104 40.800 -0.049 0.000 1.014 546 D HN 0.442 nan 8.370 nan 0.000 0.517 547 L N 2.189 123.177 121.223 -0.392 0.000 3.017 547 L HA 0.145 4.485 4.340 -0.000 0.000 0.255 547 L C 1.912 178.593 176.870 -0.315 0.000 1.247 547 L CA 0.055 54.456 54.840 -0.731 0.000 1.038 547 L CB 0.083 41.697 42.059 -0.741 0.000 1.380 547 L HN 0.253 nan 8.230 nan 0.000 0.548 548 S N -1.232 114.398 115.700 -0.117 0.000 2.325 548 S HA -0.048 4.422 4.470 -0.000 0.000 0.213 548 S C 1.915 176.578 174.600 0.106 0.000 1.031 548 S CA 0.819 59.024 58.200 0.008 0.000 0.984 548 S CB -1.033 62.171 63.200 0.006 0.000 0.939 548 S HN 0.343 nan 8.310 nan 0.000 0.438 549 G N -0.660 108.224 108.800 0.141 0.000 2.807 549 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.207 549 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.207 549 G C 0.689 175.767 174.900 0.298 0.000 1.151 549 G CA 0.007 45.206 45.100 0.164 0.000 0.800 549 G HN 0.513 nan 8.290 nan 0.000 0.523 550 W N 0.284 121.496 121.300 -0.146 0.000 2.418 550 W HA 0.256 4.916 4.660 -0.000 0.000 0.292 550 W C 0.452 176.495 176.519 -0.793 0.000 1.213 550 W CA 0.217 57.212 57.345 -0.584 0.000 1.283 550 W CB -0.239 28.613 29.460 -1.014 0.000 1.119 550 W HN 0.131 nan 8.180 nan 0.000 0.542 551 F N -0.857 119.289 119.950 0.328 0.000 2.622 551 F HA 0.298 4.825 4.527 -0.000 0.000 0.338 551 F C 0.461 176.408 175.800 0.246 0.000 1.334 551 F CA -0.377 57.808 58.000 0.309 0.000 1.179 551 F CB 0.006 39.145 39.000 0.232 0.000 1.471 551 F HN -0.418 nan 8.300 nan 0.000 0.576 552 V N 0.175 120.310 119.914 0.368 0.000 2.911 552 V HA 0.577 4.697 4.120 -0.000 0.000 0.237 552 V C 0.886 177.141 176.094 0.268 0.000 1.156 552 V CA 0.607 63.069 62.300 0.270 0.000 1.180 552 V CB 0.552 32.516 31.823 0.235 0.000 0.932 552 V HN 0.464 nan 8.190 nan 0.000 0.483 553 A N -0.597 122.346 122.820 0.204 0.000 2.594 553 A HA 0.773 5.093 4.320 -0.000 0.000 0.291 553 A C -0.214 177.045 177.584 -0.541 0.000 1.105 553 A CA 0.076 52.078 52.037 -0.058 0.000 0.694 553 A CB 1.089 19.911 19.000 -0.297 0.000 1.291 553 A HN 0.399 nan 8.150 nan 0.000 0.410 554 G N -1.146 107.019 108.800 -1.060 0.000 2.395 554 G HA2 0.515 4.475 3.960 -0.000 0.000 0.283 554 G HA3 0.515 4.475 3.960 -0.000 0.000 0.283 554 G C -0.708 173.532 174.900 -1.100 0.000 1.178 554 G CA 0.001 44.135 45.100 -1.609 0.000 0.837 554 G HN 0.604 nan 8.290 nan 0.000 0.518 555 Y N 0.903 120.995 120.300 -0.346 0.000 2.738 555 Y HA 0.285 4.835 4.550 -0.000 0.000 0.249 555 Y C 1.511 177.331 175.900 -0.134 0.000 1.157 555 Y CA -0.629 57.360 58.100 -0.185 0.000 1.189 555 Y CB 0.679 39.050 38.460 -0.149 0.000 1.262 555 Y HN 0.475 nan 8.280 nan 0.000 0.554 556 S N 0.894 116.559 115.700 -0.057 0.000 2.784 556 S HA 0.222 4.692 4.470 -0.000 0.000 0.322 556 S C 1.371 175.990 174.600 0.032 0.000 1.234 556 S CA 1.596 59.795 58.200 -0.002 0.000 1.064 556 S CB -0.235 62.964 63.200 -0.001 0.000 0.787 556 S HN 0.980 nan 8.310 nan 0.000 0.506 557 G N 3.461 112.286 108.800 0.042 0.000 2.184 557 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.264 557 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.264 557 G C 0.770 175.710 174.900 0.067 0.000 0.975 557 G CA 0.401 45.535 45.100 0.056 0.000 0.642 557 G HN 1.181 nan 8.290 nan 0.000 0.536 558 G N -0.299 108.545 108.800 0.074 0.000 3.042 558 G HA2 0.392 4.352 3.960 -0.000 0.000 0.212 558 G HA3 0.392 4.352 3.960 -0.000 0.000 0.212 558 G C 0.474 175.414 174.900 0.067 0.000 1.166 558 G CA 1.129 46.292 45.100 0.105 0.000 0.767 558 G HN 1.100 nan 8.290 nan 0.000 0.546 559 D N -0.365 120.043 120.400 0.013 0.000 2.718 559 D HA -0.155 4.485 4.640 -0.000 0.000 0.242 559 D C -0.194 176.075 176.300 -0.053 0.000 1.123 559 D CA 0.386 54.373 54.000 -0.023 0.000 0.690 559 D CB -1.205 39.595 40.800 -0.001 0.000 1.059 559 D HN 0.120 nan 8.370 nan 0.000 0.429 560 I N 1.460 121.962 120.570 -0.113 0.000 2.433 560 I HA 0.356 4.526 4.170 -0.000 0.000 0.292 560 I C -0.158 175.777 176.117 -0.304 0.000 1.001 560 I CA -0.800 60.349 61.300 -0.251 0.000 1.119 560 I CB 1.372 39.086 38.000 -0.477 0.000 1.289 560 I HN 0.101 nan 8.210 nan 0.000 0.438 561 Y N 5.935 125.994 120.300 -0.401 0.000 2.361 561 Y HA 0.466 5.016 4.550 -0.000 0.000 0.337 561 Y C -0.678 175.031 175.900 -0.319 0.000 0.965 561 Y CA -0.430 57.444 58.100 -0.377 0.000 1.091 561 Y CB 1.210 39.529 38.460 -0.236 0.000 1.182 561 Y HN 0.583 nan 8.280 nan 0.000 0.450 562 H N 3.012 121.455 119.070 -1.046 0.000 2.567 562 H HA 0.464 5.020 4.556 -0.000 0.000 0.345 562 H C 0.210 175.115 175.328 -0.705 0.000 1.169 562 H CA -0.367 55.200 56.048 -0.801 0.000 1.227 562 H CB 1.904 31.115 29.762 -0.918 0.000 1.607 562 H HN 0.892 nan 8.280 nan 0.000 0.534 563 S N 0.000 115.577 115.700 -0.205 0.000 2.498 563 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 563 S CA 0.000 58.144 58.200 -0.094 0.000 1.107 563 S CB 0.000 63.210 63.200 0.016 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517