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 3d5m_1_B DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.567 174.600 -0.055 0.000 1.055 1 S CA 0.000 58.176 58.200 -0.039 0.000 1.107 1 S CB 0.000 63.168 63.200 -0.053 0.000 0.593 2 M N 3.223 122.786 119.600 -0.062 0.000 2.217 2 M HA 0.264 4.744 4.480 -0.000 0.000 0.352 2 M C 1.932 178.125 176.300 -0.178 0.000 1.376 2 M CA 0.022 55.271 55.300 -0.084 0.000 1.107 2 M CB 0.433 33.003 32.600 -0.050 0.000 1.723 2 M HN 1.058 nan 8.290 nan 0.000 0.461 3 S N 3.251 118.784 115.700 -0.279 0.000 2.392 3 S HA -0.151 4.319 4.470 -0.000 0.000 0.232 3 S C 0.139 174.357 174.600 -0.637 0.000 1.041 3 S CA 1.173 59.096 58.200 -0.462 0.000 1.026 3 S CB -0.268 62.584 63.200 -0.579 0.000 0.845 3 S HN 0.651 nan 8.310 nan 0.000 0.465 4 Y N -0.171 119.950 120.300 -0.298 0.000 2.513 4 Y HA 0.518 5.067 4.550 -0.000 0.000 0.340 4 Y C -0.235 175.326 175.900 -0.566 0.000 1.055 4 Y CA -0.979 56.807 58.100 -0.523 0.000 1.020 4 Y CB 2.036 40.022 38.460 -0.791 0.000 1.301 4 Y HN -0.136 nan 8.280 nan 0.000 0.453 5 T N 1.979 116.283 114.554 -0.417 0.000 2.823 5 T HA 0.420 4.770 4.350 -0.000 0.000 0.279 5 T C -1.254 173.153 174.700 -0.488 0.000 0.998 5 T CA -0.710 61.192 62.100 -0.331 0.000 0.994 5 T CB 0.543 69.347 68.868 -0.108 0.000 0.960 5 T HN 0.442 nan 8.240 nan 0.000 0.448 6 W N 1.331 122.688 121.300 0.094 0.000 2.632 6 W HA 0.378 5.037 4.660 -0.000 0.000 0.328 6 W C 1.626 178.175 176.519 0.049 0.000 1.044 6 W CA -0.966 56.417 57.345 0.064 0.000 1.225 6 W CB 1.037 30.517 29.460 0.034 0.000 1.396 6 W HN 0.822 nan 8.180 nan 0.000 0.499 7 T N -1.469 113.252 114.554 0.279 0.000 2.812 7 T HA 0.198 4.548 4.350 -0.000 0.000 0.264 7 T C 1.493 176.282 174.700 0.148 0.000 1.042 7 T CA 1.532 63.733 62.100 0.169 0.000 1.140 7 T CB -0.312 68.634 68.868 0.130 0.000 0.870 7 T HN 1.143 nan 8.240 nan 0.000 0.445 8 G N 0.860 109.755 108.800 0.158 0.000 2.367 8 G HA2 0.195 4.155 3.960 -0.000 0.000 0.181 8 G HA3 0.195 4.155 3.960 -0.000 0.000 0.181 8 G C 0.297 175.225 174.900 0.045 0.000 1.000 8 G CA -0.059 45.091 45.100 0.083 0.000 0.693 8 G HN 1.012 nan 8.290 nan 0.000 0.480 9 A N 0.993 123.852 122.820 0.065 0.000 2.498 9 A HA 0.640 4.960 4.320 -0.000 0.000 0.239 9 A C 0.777 178.369 177.584 0.013 0.000 1.068 9 A CA 0.205 52.266 52.037 0.040 0.000 0.766 9 A CB 0.160 19.193 19.000 0.055 0.000 1.003 9 A HN 0.806 nan 8.150 nan 0.000 0.497 10 L N 1.887 123.105 121.223 -0.008 0.000 2.436 10 L HA 0.254 4.594 4.340 -0.000 0.000 0.265 10 L C 0.063 176.915 176.870 -0.029 0.000 1.168 10 L CA -0.222 54.595 54.840 -0.038 0.000 0.815 10 L CB 0.557 42.597 42.059 -0.032 0.000 1.109 10 L HN 0.548 nan 8.230 nan 0.000 0.462 11 I N 1.684 122.218 120.570 -0.060 0.000 2.396 11 I HA 0.109 4.279 4.170 -0.000 0.000 0.289 11 I C 0.418 176.527 176.117 -0.014 0.000 1.056 11 I CA 0.012 61.292 61.300 -0.033 0.000 1.365 11 I CB 0.788 38.752 38.000 -0.061 0.000 1.407 11 I HN 0.641 nan 8.210 nan 0.000 0.509 12 T N 4.837 119.395 114.554 0.006 0.000 2.855 12 T HA 0.564 4.914 4.350 -0.000 0.000 0.281 12 T C -2.472 172.244 174.700 0.028 0.000 1.007 12 T CA -2.143 59.965 62.100 0.013 0.000 1.009 12 T CB 1.797 70.672 68.868 0.011 0.000 0.983 12 T HN 0.269 nan 8.240 nan 0.000 0.455 13 P HA 0.269 nan 4.420 nan 0.000 0.274 13 P C 0.194 177.518 177.300 0.041 0.000 1.237 13 P CA -0.582 62.543 63.100 0.041 0.000 0.793 13 P CB 1.084 32.808 31.700 0.040 0.000 0.977 14 C N 1.249 120.578 119.300 0.049 0.000 2.568 14 C HA 0.390 4.850 4.460 -0.000 0.000 0.284 14 C C 1.452 176.465 174.990 0.039 0.000 1.338 14 C CA 1.102 60.147 59.018 0.045 0.000 1.724 14 C CB -0.639 27.134 27.740 0.056 0.000 2.131 14 C HN 0.705 nan 8.230 nan 0.000 0.513 15 A N 0.049 122.895 122.820 0.044 0.000 2.284 15 A HA 0.783 5.103 4.320 -0.000 0.000 0.317 15 A C -0.133 177.480 177.584 0.049 0.000 1.120 15 A CA 0.246 52.309 52.037 0.043 0.000 0.900 15 A CB -0.013 19.015 19.000 0.046 0.000 1.319 15 A HN 0.699 nan 8.150 nan 0.000 0.494 16 A N -0.222 122.628 122.820 0.050 0.000 2.445 16 A HA 0.502 4.822 4.320 -0.000 0.000 0.242 16 A C -0.072 177.558 177.584 0.076 0.000 1.075 16 A CA 0.118 52.189 52.037 0.057 0.000 0.777 16 A CB -0.233 18.798 19.000 0.051 0.000 1.013 16 A HN 0.707 nan 8.150 nan 0.000 0.493 17 E N 0.896 121.148 120.200 0.085 0.000 2.199 17 E HA 0.384 4.734 4.350 -0.000 0.000 0.269 17 E C -1.053 175.634 176.600 0.145 0.000 0.899 17 E CA -0.468 56.001 56.400 0.114 0.000 0.772 17 E CB 1.818 31.577 29.700 0.098 0.000 1.155 17 E HN 0.725 nan 8.360 nan 0.000 0.408 18 E N 0.883 121.214 120.200 0.218 0.000 2.216 18 E HA 0.142 4.492 4.350 -0.000 0.000 0.279 18 E C 0.161 176.992 176.600 0.384 0.000 0.997 18 E CA -0.161 56.403 56.400 0.274 0.000 0.817 18 E CB 1.323 31.202 29.700 0.298 0.000 1.096 18 E HN 0.579 nan 8.360 nan 0.000 0.393 19 S N 2.477 118.374 115.700 0.328 0.000 2.527 19 S HA 0.011 4.481 4.470 -0.000 0.000 0.227 19 S C 0.573 175.452 174.600 0.465 0.000 1.059 19 S CA -0.282 58.138 58.200 0.366 0.000 0.919 19 S CB 0.100 63.443 63.200 0.238 0.000 0.805 19 S HN 0.357 nan 8.310 nan 0.000 0.500 20 K N 2.144 122.732 120.400 0.314 0.000 2.174 20 K HA 0.389 4.708 4.320 -0.000 0.000 0.275 20 K C -0.423 176.213 176.600 0.060 0.000 1.015 20 K CA -0.880 55.547 56.287 0.233 0.000 0.933 20 K CB 0.921 33.494 32.500 0.122 0.000 1.025 20 K HN 0.236 nan 8.250 nan 0.000 0.463 21 L N 3.767 125.027 121.223 0.063 0.000 2.660 21 L HA 0.028 4.368 4.340 -0.000 0.000 0.272 21 L C -2.310 174.290 176.870 -0.449 0.000 1.194 21 L CA -0.745 53.930 54.840 -0.274 0.000 0.945 21 L CB -0.526 41.548 42.059 0.025 0.000 1.212 21 L HN 0.505 nan 8.230 nan 0.000 0.490 22 P HA 0.132 nan 4.420 nan 0.000 0.265 22 P C -0.932 176.131 177.300 -0.394 0.000 1.193 22 P CA 0.162 62.949 63.100 -0.521 0.000 0.765 22 P CB 0.409 31.730 31.700 -0.632 0.000 0.823 23 I N 3.349 123.742 120.570 -0.294 0.000 2.433 23 I HA 0.388 4.558 4.170 -0.000 0.000 0.292 23 I C 0.435 176.441 176.117 -0.186 0.000 1.001 23 I CA -0.725 60.405 61.300 -0.284 0.000 1.119 23 I CB 1.447 39.271 38.000 -0.292 0.000 1.289 23 I HN 0.461 nan 8.210 nan 0.000 0.438 24 N N 4.144 122.751 118.700 -0.156 0.000 3.229 24 N HA 0.455 5.195 4.740 -0.000 0.000 0.315 24 N C 0.329 175.795 175.510 -0.073 0.000 1.520 24 N CA -0.458 52.531 53.050 -0.101 0.000 0.769 24 N CB 0.740 39.171 38.487 -0.094 0.000 1.766 24 N HN 0.380 nan 8.380 nan 0.000 0.618 25 A N -0.594 122.195 122.820 -0.051 0.000 2.172 25 A HA 0.126 4.446 4.320 -0.000 0.000 0.216 25 A C 1.663 179.231 177.584 -0.027 0.000 1.154 25 A CA 0.831 52.848 52.037 -0.034 0.000 0.701 25 A CB -0.909 18.073 19.000 -0.029 0.000 0.789 25 A HN 0.546 nan 8.150 nan 0.000 0.465 26 L N -1.634 119.570 121.223 -0.031 0.000 2.513 26 L HA 0.035 4.375 4.340 -0.000 0.000 0.222 26 L C 2.476 179.366 176.870 0.034 0.000 1.096 26 L CA 0.432 55.269 54.840 -0.004 0.000 0.857 26 L CB -0.299 41.741 42.059 -0.032 0.000 1.026 26 L HN 0.205 nan 8.230 nan 0.000 0.469 27 S N 0.932 116.626 115.700 -0.010 0.000 2.369 27 S HA -0.208 4.262 4.470 -0.000 0.000 0.225 27 S C 1.743 176.383 174.600 0.067 0.000 1.043 27 S CA 1.912 60.102 58.200 -0.017 0.000 1.074 27 S CB -0.335 62.768 63.200 -0.161 0.000 0.962 27 S HN 0.465 nan 8.310 nan 0.000 0.433 28 N N 1.349 120.108 118.700 0.098 0.000 2.272 28 N HA -0.080 4.660 4.740 -0.000 0.000 0.185 28 N C 1.911 177.445 175.510 0.039 0.000 1.014 28 N CA 1.329 54.447 53.050 0.114 0.000 0.870 28 N CB -0.589 37.947 38.487 0.082 0.000 0.975 28 N HN 0.598 nan 8.380 nan 0.000 0.433 29 S N -0.200 115.515 115.700 0.026 0.000 2.419 29 S HA -0.079 4.391 4.470 -0.000 0.000 0.233 29 S C 1.845 176.464 174.600 0.032 0.000 1.016 29 S CA 0.561 58.752 58.200 -0.014 0.000 0.974 29 S CB -0.247 62.959 63.200 0.009 0.000 0.786 29 S HN 0.241 nan 8.310 nan 0.000 0.492 30 L N 0.004 121.264 121.223 0.063 0.000 2.286 30 L HA 0.582 4.922 4.340 -0.000 0.000 0.203 30 L C 0.213 177.144 176.870 0.101 0.000 1.068 30 L CA 0.880 55.763 54.840 0.072 0.000 0.811 30 L CB 0.170 42.038 42.059 -0.317 0.000 0.989 30 L HN 0.517 nan 8.230 nan 0.000 0.467 31 L N -1.169 120.095 121.223 0.068 0.000 2.543 31 L HA 0.393 4.733 4.340 -0.000 0.000 0.265 31 L C 0.289 177.173 176.870 0.022 0.000 0.945 31 L CA -0.595 54.274 54.840 0.048 0.000 0.869 31 L CB 1.253 43.368 42.059 0.093 0.000 1.294 31 L HN -0.115 nan 8.230 nan 0.000 0.405 32 R N 1.316 121.699 120.500 -0.196 0.000 2.156 32 R HA 0.134 4.474 4.340 -0.000 0.000 0.207 32 R C 0.036 176.038 176.300 -0.496 0.000 1.040 32 R CA 0.659 56.535 56.100 -0.373 0.000 1.013 32 R CB -0.120 29.943 30.300 -0.394 0.000 0.931 32 R HN 0.674 nan 8.270 nan 0.000 0.465 33 H N 0.590 119.560 119.070 -0.165 0.000 2.855 33 H HA 0.130 4.686 4.556 -0.000 0.000 0.238 33 H C 0.584 175.907 175.328 -0.009 0.000 1.847 33 H CA -0.217 55.761 56.048 -0.117 0.000 1.368 33 H CB -0.142 29.604 29.762 -0.027 0.000 1.758 33 H HN 0.338 nan 8.280 nan 0.000 0.546 34 H N 0.688 119.845 119.070 0.146 0.000 2.456 34 H HA -0.159 4.396 4.556 -0.000 0.000 0.296 34 H C 1.779 177.185 175.328 0.129 0.000 1.079 34 H CA 1.189 57.303 56.048 0.109 0.000 1.322 34 H CB 0.234 30.034 29.762 0.064 0.000 1.388 34 H HN 0.689 nan 8.280 nan 0.000 0.538 35 N N 0.506 119.333 118.700 0.211 0.000 2.453 35 N HA -0.118 4.622 4.740 -0.000 0.000 0.183 35 N C 1.351 176.965 175.510 0.174 0.000 1.041 35 N CA 0.840 53.988 53.050 0.163 0.000 0.900 35 N CB -0.051 38.494 38.487 0.098 0.000 0.961 35 N HN 0.219 nan 8.380 nan 0.000 0.443 36 M N 0.225 119.940 119.600 0.192 0.000 2.419 36 M HA 0.130 4.609 4.480 -0.000 0.000 0.264 36 M C 0.011 176.477 176.300 0.277 0.000 1.082 36 M CA 0.340 55.762 55.300 0.203 0.000 1.119 36 M CB -0.220 32.489 32.600 0.180 0.000 1.398 36 M HN -0.003 nan 8.290 nan 0.000 0.453 37 V N 1.622 121.708 119.914 0.287 0.000 2.427 37 V HA 0.314 4.434 4.120 -0.000 0.000 0.286 37 V C -0.636 175.702 176.094 0.406 0.000 1.034 37 V CA -0.767 61.710 62.300 0.294 0.000 0.893 37 V CB 0.734 32.719 31.823 0.270 0.000 0.982 37 V HN 0.395 nan 8.190 nan 0.000 0.452 38 Y N 2.762 123.218 120.300 0.259 0.000 2.615 38 Y HA 0.926 5.476 4.550 -0.000 0.000 0.341 38 Y C -0.420 175.551 175.900 0.119 0.000 1.089 38 Y CA -1.400 56.859 58.100 0.265 0.000 1.049 38 Y CB 1.604 40.179 38.460 0.192 0.000 1.296 38 Y HN 0.685 nan 8.280 nan 0.000 0.470 39 A N 1.353 124.252 122.820 0.132 0.000 2.355 39 A HA 0.692 5.012 4.320 -0.000 0.000 0.324 39 A C -0.169 177.545 177.584 0.216 0.000 1.117 39 A CA -0.379 51.555 52.037 -0.171 0.000 0.785 39 A CB 0.606 19.252 19.000 -0.590 0.000 1.254 39 A HN 1.082 nan 8.150 nan 0.000 0.453 40 T N -0.136 114.528 114.554 0.183 0.000 2.913 40 T HA 0.589 4.938 4.350 -0.000 0.000 0.297 40 T C 0.363 175.136 174.700 0.122 0.000 1.029 40 T CA 0.354 62.595 62.100 0.235 0.000 1.104 40 T CB 0.811 69.831 68.868 0.253 0.000 0.964 40 T HN 1.383 nan 8.240 nan 0.000 0.532 41 T N -1.807 112.815 114.554 0.112 0.000 2.864 41 T HA 0.480 4.830 4.350 -0.000 0.000 0.289 41 T C 1.450 176.184 174.700 0.056 0.000 1.082 41 T CA -0.238 61.910 62.100 0.080 0.000 1.009 41 T CB 1.206 70.126 68.868 0.086 0.000 1.234 41 T HN 0.733 nan 8.240 nan 0.000 0.526 42 S N -0.088 115.638 115.700 0.043 0.000 2.440 42 S HA -0.157 4.313 4.470 -0.000 0.000 0.238 42 S C 1.926 176.528 174.600 0.003 0.000 1.010 42 S CA 0.832 59.044 58.200 0.020 0.000 0.972 42 S CB -0.729 62.482 63.200 0.019 0.000 0.774 42 S HN 0.751 nan 8.310 nan 0.000 0.501 43 R N 1.689 122.198 120.500 0.016 0.000 2.139 43 R HA -0.094 4.246 4.340 -0.000 0.000 0.243 43 R C 1.852 178.145 176.300 -0.011 0.000 1.145 43 R CA 1.643 57.746 56.100 0.004 0.000 0.976 43 R CB -0.358 29.953 30.300 0.018 0.000 0.866 43 R HN 0.673 nan 8.270 nan 0.000 0.449 44 S N -1.534 114.164 115.700 -0.004 0.000 2.614 44 S HA 0.257 4.727 4.470 -0.000 0.000 0.230 44 S C 1.400 175.977 174.600 -0.038 0.000 0.952 44 S CA 0.067 58.256 58.200 -0.018 0.000 0.949 44 S CB 1.133 64.334 63.200 0.002 0.000 0.786 44 S HN 0.341 nan 8.310 nan 0.000 0.478 45 A N 2.148 124.935 122.820 -0.055 0.000 1.898 45 A HA 0.238 4.558 4.320 -0.000 0.000 0.216 45 A C 2.284 179.764 177.584 -0.172 0.000 1.181 45 A CA 1.360 53.338 52.037 -0.099 0.000 0.620 45 A CB -1.671 17.268 19.000 -0.102 0.000 0.819 45 A HN 0.661 nan 8.150 nan 0.000 0.442 46 G N -0.016 108.683 108.800 -0.168 0.000 2.505 46 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.220 46 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.220 46 G C 1.555 176.354 174.900 -0.169 0.000 1.145 46 G CA 1.227 46.205 45.100 -0.204 0.000 0.761 46 G HN 0.441 nan 8.290 nan 0.000 0.571 47 L N -0.477 120.682 121.223 -0.106 0.000 2.056 47 L HA 0.005 4.345 4.340 -0.000 0.000 0.207 47 L C 2.920 179.756 176.870 -0.058 0.000 1.078 47 L CA 1.217 56.015 54.840 -0.069 0.000 0.749 47 L CB -0.239 41.793 42.059 -0.045 0.000 0.901 47 L HN 0.145 nan 8.230 nan 0.000 0.433 48 R N 0.159 120.619 120.500 -0.067 0.000 2.075 48 R HA -0.157 4.183 4.340 -0.000 0.000 0.232 48 R C 2.213 178.475 176.300 -0.063 0.000 1.126 48 R CA 1.544 57.621 56.100 -0.039 0.000 0.963 48 R CB -0.398 29.883 30.300 -0.031 0.000 0.858 48 R HN 0.358 nan 8.270 nan 0.000 0.435 49 Q N 0.242 119.920 119.800 -0.203 0.000 2.062 49 Q HA -0.245 4.095 4.340 -0.000 0.000 0.209 49 Q C 2.087 178.057 176.000 -0.051 0.000 0.996 49 Q CA 2.391 58.005 55.803 -0.316 0.000 0.859 49 Q CB -0.227 27.994 28.738 -0.863 0.000 0.920 49 Q HN 0.320 nan 8.270 nan 0.000 0.415 50 K N 0.732 121.097 120.400 -0.059 0.000 2.020 50 K HA -0.220 4.100 4.320 -0.000 0.000 0.212 50 K C 2.139 178.820 176.600 0.134 0.000 1.050 50 K CA 1.463 57.779 56.287 0.050 0.000 0.929 50 K CB -0.182 32.325 32.500 0.012 0.000 0.714 50 K HN 0.072 nan 8.250 nan 0.000 0.443 51 K N 1.130 121.596 120.400 0.109 0.000 2.097 51 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 51 K C 1.765 178.544 176.600 0.298 0.000 1.049 51 K CA 1.648 58.030 56.287 0.158 0.000 0.933 51 K CB 0.111 32.672 32.500 0.100 0.000 0.717 51 K HN 0.176 nan 8.250 nan 0.000 0.442 52 V N -1.512 118.570 119.914 0.280 0.000 3.649 52 V HA 0.127 4.247 4.120 -0.000 0.000 0.275 52 V C 0.180 176.456 176.094 0.303 0.000 1.281 52 V CA 0.086 62.598 62.300 0.353 0.000 1.143 52 V CB 0.255 32.235 31.823 0.262 0.000 0.892 52 V HN -0.001 nan 8.190 nan 0.000 0.441 53 T N 4.435 119.203 114.554 0.356 0.000 2.853 53 T HA 0.715 5.065 4.350 -0.000 0.000 0.317 53 T C -0.746 174.137 174.700 0.304 0.000 1.059 53 T CA -0.064 62.218 62.100 0.304 0.000 0.954 53 T CB 0.067 69.204 68.868 0.448 0.000 0.994 53 T HN 0.606 nan 8.240 nan 0.000 0.479 54 F N -0.248 119.801 119.950 0.164 0.000 2.711 54 F HA 0.712 5.239 4.527 -0.000 0.000 0.313 54 F C -0.961 174.875 175.800 0.061 0.000 1.141 54 F CA -1.748 56.312 58.000 0.099 0.000 0.941 54 F CB 0.797 39.847 39.000 0.083 0.000 1.349 54 F HN 0.186 nan 8.300 nan 0.000 0.464 55 D N 0.668 121.240 120.400 0.287 0.000 2.304 55 D HA 0.460 5.100 4.640 -0.000 0.000 0.250 55 D C -0.925 175.508 176.300 0.222 0.000 1.107 55 D CA -0.033 54.061 54.000 0.156 0.000 0.885 55 D CB 0.890 41.756 40.800 0.110 0.000 1.192 55 D HN 0.556 nan 8.370 nan 0.000 0.436 56 R N 2.453 123.017 120.500 0.107 0.000 2.387 56 R HA 0.584 4.924 4.340 -0.000 0.000 0.314 56 R C -0.813 175.519 176.300 0.052 0.000 0.958 56 R CA -0.506 55.661 56.100 0.111 0.000 0.846 56 R CB 1.164 31.496 30.300 0.054 0.000 1.147 56 R HN 0.410 nan 8.270 nan 0.000 0.447 57 L N 1.897 123.150 121.223 0.051 0.000 2.334 57 L HA 0.557 4.897 4.340 -0.000 0.000 0.273 57 L C -0.392 176.481 176.870 0.005 0.000 1.013 57 L CA -0.717 54.134 54.840 0.018 0.000 0.816 57 L CB 2.055 44.122 42.059 0.014 0.000 1.278 57 L HN 0.460 nan 8.230 nan 0.000 0.431 58 Q N 1.664 121.456 119.800 -0.015 0.000 2.271 58 Q HA 0.565 4.905 4.340 -0.000 0.000 0.268 58 Q C -1.902 174.072 176.000 -0.043 0.000 1.021 58 Q CA -0.479 55.308 55.803 -0.028 0.000 0.802 58 Q CB 3.077 31.786 28.738 -0.049 0.000 1.282 58 Q HN 0.406 nan 8.270 nan 0.000 0.431 59 V N 5.465 125.359 119.914 -0.032 0.000 2.443 59 V HA 0.460 4.580 4.120 -0.000 0.000 0.293 59 V C -0.800 175.295 176.094 0.001 0.000 1.021 59 V CA -0.514 61.765 62.300 -0.034 0.000 0.848 59 V CB 1.535 33.332 31.823 -0.045 0.000 0.998 59 V HN 0.676 nan 8.190 nan 0.000 0.424 60 L N 5.678 126.869 121.223 -0.053 0.000 2.325 60 L HA 0.652 4.992 4.340 -0.000 0.000 0.281 60 L C -0.341 176.549 176.870 0.033 0.000 1.004 60 L CA -0.597 54.182 54.840 -0.101 0.000 0.823 60 L CB 1.783 43.592 42.059 -0.418 0.000 1.236 60 L HN 0.680 nan 8.230 nan 0.000 0.415 61 D N 0.405 120.906 120.400 0.168 0.000 2.595 61 D HA 0.157 4.797 4.640 -0.000 0.000 0.268 61 D C 0.278 176.657 176.300 0.131 0.000 1.181 61 D CA -0.589 53.488 54.000 0.129 0.000 1.085 61 D CB 0.847 41.726 40.800 0.131 0.000 1.186 61 D HN 0.319 nan 8.370 nan 0.000 0.621 62 D N -1.186 119.229 120.400 0.025 0.000 2.117 62 D HA -0.154 4.485 4.640 -0.000 0.000 0.198 62 D C 1.787 178.093 176.300 0.009 0.000 0.982 62 D CA 1.094 55.077 54.000 -0.028 0.000 0.828 62 D CB -0.095 40.627 40.800 -0.130 0.000 0.967 62 D HN 0.404 nan 8.370 nan 0.000 0.464 63 H N -0.027 119.108 119.070 0.109 0.000 2.319 63 H HA -0.182 4.374 4.556 -0.000 0.000 0.297 63 H C 2.057 177.425 175.328 0.067 0.000 1.097 63 H CA 1.112 57.217 56.048 0.095 0.000 1.285 63 H CB -0.786 29.055 29.762 0.132 0.000 1.368 63 H HN 0.336 nan 8.280 nan 0.000 0.495 64 Y N 1.824 122.174 120.300 0.083 0.000 2.097 64 Y HA -0.255 4.295 4.550 -0.000 0.000 0.282 64 Y C 2.776 178.630 175.900 -0.077 0.000 1.152 64 Y CA 1.802 59.822 58.100 -0.133 0.000 1.136 64 Y CB -0.141 38.166 38.460 -0.256 0.000 0.975 64 Y HN -0.032 nan 8.280 nan 0.000 0.498 65 R N 0.011 120.572 120.500 0.102 0.000 2.096 65 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 65 R C 1.785 178.058 176.300 -0.045 0.000 1.127 65 R CA 1.466 57.574 56.100 0.014 0.000 0.968 65 R CB -0.344 30.007 30.300 0.084 0.000 0.861 65 R HN 0.430 nan 8.270 nan 0.000 0.440 66 D N 0.113 120.508 120.400 -0.008 0.000 2.097 66 D HA -0.126 4.514 4.640 -0.000 0.000 0.195 66 D C 1.996 178.280 176.300 -0.028 0.000 0.989 66 D CA 1.074 55.074 54.000 -0.001 0.000 0.827 66 D CB -0.308 40.519 40.800 0.045 0.000 0.966 66 D HN -0.018 nan 8.370 nan 0.000 0.456 67 V N 1.180 121.061 119.914 -0.055 0.000 2.295 67 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 67 V C 2.492 178.522 176.094 -0.108 0.000 1.049 67 V CA 1.164 63.418 62.300 -0.078 0.000 1.024 67 V CB -0.525 31.223 31.823 -0.125 0.000 0.648 67 V HN 0.139 nan 8.190 nan 0.000 0.447 68 L N 0.451 121.544 121.223 -0.217 0.000 2.042 68 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 68 L C 2.411 179.214 176.870 -0.111 0.000 1.076 68 L CA 2.142 56.852 54.840 -0.217 0.000 0.749 68 L CB -0.920 40.940 42.059 -0.331 0.000 0.893 68 L HN 0.249 nan 8.230 nan 0.000 0.432 69 K N -0.228 120.124 120.400 -0.081 0.000 2.020 69 K HA -0.256 4.064 4.320 -0.000 0.000 0.212 69 K C 1.952 178.533 176.600 -0.031 0.000 1.050 69 K CA 2.270 58.530 56.287 -0.044 0.000 0.929 69 K CB -0.206 32.277 32.500 -0.028 0.000 0.714 69 K HN 0.556 nan 8.250 nan 0.000 0.443 70 E N 0.147 120.334 120.200 -0.020 0.000 2.085 70 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 70 E C 2.164 178.760 176.600 -0.007 0.000 0.994 70 E CA 1.708 58.106 56.400 -0.002 0.000 0.801 70 E CB -0.127 29.585 29.700 0.020 0.000 0.743 70 E HN 0.373 nan 8.360 nan 0.000 0.453 71 M N 0.470 120.061 119.600 -0.014 0.000 2.132 71 M HA -0.157 4.323 4.480 -0.000 0.000 0.263 71 M C 2.187 178.457 176.300 -0.049 0.000 1.065 71 M CA 1.434 56.718 55.300 -0.028 0.000 1.122 71 M CB -0.104 32.478 32.600 -0.029 0.000 1.365 71 M HN -0.065 nan 8.290 nan 0.000 0.411 72 K N 0.246 120.616 120.400 -0.050 0.000 2.097 72 K HA -0.076 4.244 4.320 -0.000 0.000 0.206 72 K C 2.082 178.663 176.600 -0.031 0.000 1.049 72 K CA 1.323 57.583 56.287 -0.045 0.000 0.933 72 K CB -0.222 32.251 32.500 -0.045 0.000 0.717 72 K HN 0.291 nan 8.250 nan 0.000 0.442 73 A N 1.728 124.533 122.820 -0.026 0.000 1.902 73 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 73 A C 1.899 179.471 177.584 -0.021 0.000 1.181 73 A CA 1.663 53.689 52.037 -0.018 0.000 0.623 73 A CB -0.272 18.721 19.000 -0.012 0.000 0.818 73 A HN 0.171 nan 8.150 nan 0.000 0.443 74 K N -0.295 120.088 120.400 -0.028 0.000 2.057 74 K HA 0.056 4.376 4.320 -0.000 0.000 0.206 74 K C 2.259 178.833 176.600 -0.044 0.000 1.050 74 K CA 1.060 57.325 56.287 -0.037 0.000 0.935 74 K CB -0.346 32.124 32.500 -0.049 0.000 0.715 74 K HN 0.413 nan 8.250 nan 0.000 0.439 75 A N 1.197 123.989 122.820 -0.047 0.000 1.986 75 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 75 A C 2.099 179.670 177.584 -0.021 0.000 1.171 75 A CA 2.207 54.221 52.037 -0.039 0.000 0.640 75 A CB -0.803 18.175 19.000 -0.035 0.000 0.811 75 A HN 0.393 nan 8.150 nan 0.000 0.451 76 S N -0.320 115.369 115.700 -0.018 0.000 2.555 76 S HA -0.089 4.381 4.470 -0.000 0.000 0.230 76 S C 1.596 176.190 174.600 -0.010 0.000 0.978 76 S CA 1.645 59.839 58.200 -0.010 0.000 0.934 76 S CB -0.952 62.243 63.200 -0.009 0.000 0.766 76 S HN 0.801 nan 8.310 nan 0.000 0.533 77 T N -0.974 113.571 114.554 -0.016 0.000 3.107 77 T HA 0.330 4.680 4.350 -0.000 0.000 0.249 77 T C 0.394 175.084 174.700 -0.017 0.000 1.096 77 T CA -0.204 61.887 62.100 -0.015 0.000 1.012 77 T CB -0.264 68.593 68.868 -0.019 0.000 0.977 77 T HN 0.147 nan 8.240 nan 0.000 0.527 78 V N 2.078 121.981 119.914 -0.019 0.000 2.583 78 V HA 0.391 4.511 4.120 -0.000 0.000 0.287 78 V C 0.111 176.199 176.094 -0.009 0.000 1.051 78 V CA -0.755 61.532 62.300 -0.021 0.000 1.010 78 V CB 1.203 33.008 31.823 -0.030 0.000 0.988 78 V HN 0.413 nan 8.190 nan 0.000 0.478 79 K N 3.759 124.154 120.400 -0.009 0.000 2.358 79 K HA 0.771 5.090 4.320 -0.000 0.000 0.260 79 K C -0.725 175.875 176.600 -0.000 0.000 0.956 79 K CA -0.402 55.885 56.287 -0.000 0.000 0.834 79 K CB 1.542 34.043 32.500 0.002 0.000 1.102 79 K HN 0.828 nan 8.250 nan 0.000 0.431 80 A N 3.515 126.339 122.820 0.007 0.000 2.401 80 A HA 0.638 4.958 4.320 -0.000 0.000 0.310 80 A C -1.525 176.072 177.584 0.023 0.000 1.075 80 A CA -0.957 51.085 52.037 0.008 0.000 0.746 80 A CB 1.206 20.205 19.000 -0.001 0.000 1.277 80 A HN 0.761 nan 8.150 nan 0.000 0.425 81 K N 1.042 121.459 120.400 0.029 0.000 2.208 81 K HA 0.748 5.068 4.320 -0.000 0.000 0.247 81 K C -1.112 175.514 176.600 0.042 0.000 0.953 81 K CA -0.528 55.779 56.287 0.033 0.000 0.837 81 K CB 0.936 33.451 32.500 0.025 0.000 1.131 81 K HN 0.432 nan 8.250 nan 0.000 0.431 82 L N 2.511 123.756 121.223 0.037 0.000 2.455 82 L HA 0.116 4.456 4.340 -0.000 0.000 0.272 82 L C -0.227 176.626 176.870 -0.028 0.000 1.174 82 L CA -0.638 54.212 54.840 0.016 0.000 0.869 82 L CB 0.094 42.155 42.059 0.004 0.000 1.130 82 L HN 0.474 nan 8.230 nan 0.000 0.474 83 L N 2.727 123.923 121.223 -0.046 0.000 2.436 83 L HA 0.201 4.541 4.340 -0.000 0.000 0.265 83 L C 0.633 177.399 176.870 -0.174 0.000 1.168 83 L CA 0.501 55.291 54.840 -0.084 0.000 0.815 83 L CB 1.421 43.431 42.059 -0.082 0.000 1.109 83 L HN 0.760 nan 8.230 nan 0.000 0.462 84 S N 0.976 116.581 115.700 -0.158 0.000 2.632 84 S HA 0.273 4.743 4.470 -0.000 0.000 0.267 84 S C 1.337 175.796 174.600 -0.235 0.000 1.276 84 S CA -0.721 57.364 58.200 -0.192 0.000 0.998 84 S CB 0.957 64.082 63.200 -0.126 0.000 0.953 84 S HN 0.335 nan 8.310 nan 0.000 0.547 85 V N 2.158 121.905 119.914 -0.278 0.000 2.250 85 V HA -0.251 3.868 4.120 -0.000 0.000 0.250 85 V C 2.896 178.871 176.094 -0.197 0.000 1.060 85 V CA 2.450 64.572 62.300 -0.296 0.000 1.030 85 V CB -1.215 30.391 31.823 -0.362 0.000 0.643 85 V HN 0.990 nan 8.190 nan 0.000 0.445 86 E N 0.350 120.463 120.200 -0.145 0.000 2.077 86 E HA -0.277 4.072 4.350 -0.000 0.000 0.193 86 E C 1.976 178.507 176.600 -0.116 0.000 0.989 86 E CA 1.632 57.967 56.400 -0.109 0.000 0.800 86 E CB -0.515 29.139 29.700 -0.077 0.000 0.746 86 E HN 0.735 nan 8.360 nan 0.000 0.452 87 E N 1.201 121.325 120.200 -0.128 0.000 2.077 87 E HA -0.102 4.247 4.350 -0.000 0.000 0.193 87 E C 2.130 178.615 176.600 -0.191 0.000 0.989 87 E CA 1.239 57.554 56.400 -0.141 0.000 0.800 87 E CB -0.157 29.465 29.700 -0.129 0.000 0.746 87 E HN 0.371 nan 8.360 nan 0.000 0.452 88 A N 0.520 123.222 122.820 -0.197 0.000 1.930 88 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 88 A C 2.366 179.845 177.584 -0.176 0.000 1.175 88 A CA 1.075 52.987 52.037 -0.209 0.000 0.627 88 A CB -0.745 18.145 19.000 -0.183 0.000 0.815 88 A HN 0.370 nan 8.150 nan 0.000 0.443 89 C N -0.177 119.036 119.300 -0.144 0.000 2.422 89 C HA -0.040 4.420 4.460 -0.000 0.000 0.279 89 C C 2.493 177.418 174.990 -0.109 0.000 1.305 89 C CA 1.155 60.107 59.018 -0.111 0.000 1.757 89 C CB -0.723 26.960 27.740 -0.094 0.000 1.962 89 C HN 0.473 nan 8.230 nan 0.000 0.499 90 K N 1.100 121.432 120.400 -0.114 0.000 2.288 90 K HA 0.097 4.417 4.320 -0.000 0.000 0.201 90 K C 1.438 177.983 176.600 -0.091 0.000 1.048 90 K CA 0.829 57.066 56.287 -0.084 0.000 0.956 90 K CB -0.499 31.960 32.500 -0.069 0.000 0.746 90 K HN 0.523 nan 8.250 nan 0.000 0.461 91 L N 0.954 122.068 121.223 -0.181 0.000 2.591 91 L HA 0.034 4.374 4.340 -0.000 0.000 0.228 91 L C 0.312 177.064 176.870 -0.197 0.000 1.133 91 L CA 0.142 54.831 54.840 -0.252 0.000 0.880 91 L CB -0.333 41.453 42.059 -0.455 0.000 1.033 91 L HN -0.123 nan 8.230 nan 0.000 0.450 92 T N 2.003 116.460 114.554 -0.162 0.000 2.779 92 T HA 0.196 4.546 4.350 -0.000 0.000 0.296 92 T C -2.293 172.232 174.700 -0.293 0.000 0.938 92 T CA -1.069 60.917 62.100 -0.189 0.000 1.119 92 T CB 0.838 69.619 68.868 -0.146 0.000 0.891 92 T HN -0.132 nan 8.240 nan 0.000 0.526 93 P HA 0.130 nan 4.420 nan 0.000 0.265 93 P C -1.911 174.954 177.300 -0.725 0.000 1.193 93 P CA -1.349 61.296 63.100 -0.759 0.000 0.765 93 P CB 0.192 31.400 31.700 -0.821 0.000 0.823 94 P HA -0.169 nan 4.420 nan 0.000 0.221 94 P C 0.848 178.011 177.300 -0.228 0.000 1.145 94 P CA 1.564 64.435 63.100 -0.380 0.000 0.795 94 P CB -0.373 31.153 31.700 -0.290 0.000 0.775 95 H N -3.596 115.342 119.070 -0.220 0.000 2.586 95 H HA 0.287 4.843 4.556 -0.000 0.000 0.273 95 H C 0.484 175.733 175.328 -0.132 0.000 0.997 95 H CA -0.180 55.781 56.048 -0.146 0.000 1.177 95 H CB -0.315 29.373 29.762 -0.124 0.000 1.471 95 H HN -0.077 nan 8.280 nan 0.000 0.538 96 S N 1.167 116.652 115.700 -0.358 0.000 2.558 96 S HA 0.269 4.739 4.470 -0.000 0.000 0.287 96 S C 0.699 175.218 174.600 -0.136 0.000 1.321 96 S CA -0.080 57.967 58.200 -0.255 0.000 1.048 96 S CB 0.072 63.117 63.200 -0.258 0.000 0.844 96 S HN 0.651 nan 8.310 nan 0.000 0.512 97 A N 4.725 127.471 122.820 -0.124 0.000 2.567 97 A HA 0.198 4.518 4.320 -0.000 0.000 0.240 97 A C 0.632 178.192 177.584 -0.041 0.000 1.053 97 A CA 0.057 52.059 52.037 -0.057 0.000 0.755 97 A CB -0.276 18.709 19.000 -0.026 0.000 0.978 97 A HN 0.884 nan 8.150 nan 0.000 0.507 98 K N 2.428 122.799 120.400 -0.049 0.000 2.276 98 K HA 0.307 4.627 4.320 -0.000 0.000 0.259 98 K C 0.345 176.858 176.600 -0.146 0.000 1.001 98 K CA 0.045 56.269 56.287 -0.106 0.000 0.927 98 K CB 0.437 32.880 32.500 -0.095 0.000 0.969 98 K HN 0.430 nan 8.250 nan 0.000 0.490 99 S N 0.445 115.949 115.700 -0.328 0.000 2.585 99 S HA 0.051 4.521 4.470 -0.000 0.000 0.273 99 S C 0.519 174.943 174.600 -0.294 0.000 1.339 99 S CA -0.557 57.420 58.200 -0.371 0.000 1.028 99 S CB 0.535 63.161 63.200 -0.956 0.000 0.906 99 S HN 0.671 nan 8.310 nan 0.000 0.528 100 K N 2.280 122.510 120.400 -0.284 0.000 2.525 100 K HA 0.049 4.369 4.320 -0.000 0.000 0.192 100 K C -0.220 175.991 176.600 -0.648 0.000 1.029 100 K CA 0.757 56.759 56.287 -0.475 0.000 1.029 100 K CB -0.039 32.090 32.500 -0.619 0.000 0.814 100 K HN 0.569 nan 8.250 nan 0.000 0.503 101 F N 0.289 120.083 119.950 -0.261 0.000 2.850 101 F HA 0.265 4.791 4.527 -0.000 0.000 0.306 101 F C 1.039 176.794 175.800 -0.075 0.000 1.162 101 F CA -0.469 57.402 58.000 -0.215 0.000 1.327 101 F CB 0.961 39.682 39.000 -0.465 0.000 0.953 101 F HN 0.083 nan 8.300 nan 0.000 0.507 102 G N 0.486 109.289 108.800 0.006 0.000 2.132 102 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.228 102 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.228 102 G C -0.343 174.670 174.900 0.189 0.000 1.000 102 G CA 0.117 45.269 45.100 0.087 0.000 0.693 102 G HN 0.569 nan 8.290 nan 0.000 0.515 103 Y N -2.477 117.818 120.300 -0.008 0.000 2.609 103 Y HA 0.759 5.309 4.550 -0.000 0.000 0.336 103 Y C 0.372 176.272 175.900 -0.000 0.000 1.129 103 Y CA -0.990 57.109 58.100 -0.002 0.000 1.040 103 Y CB 0.685 39.149 38.460 0.007 0.000 1.310 103 Y HN 0.631 nan 8.280 nan 0.000 0.460 104 G N 0.036 108.873 108.800 0.062 0.000 3.108 104 G HA2 0.543 4.503 3.960 -0.000 0.000 0.268 104 G HA3 0.543 4.503 3.960 -0.000 0.000 0.268 104 G C 0.263 175.185 174.900 0.036 0.000 1.361 104 G CA -0.760 44.327 45.100 -0.023 0.000 1.047 104 G HN 1.148 nan 8.290 nan 0.000 0.540 105 A N -0.323 122.482 122.820 -0.025 0.000 1.877 105 A HA -0.021 4.298 4.320 -0.000 0.000 0.216 105 A C 2.189 179.748 177.584 -0.041 0.000 1.186 105 A CA 2.050 54.057 52.037 -0.050 0.000 0.620 105 A CB -0.500 18.425 19.000 -0.126 0.000 0.822 105 A HN 0.585 nan 8.150 nan 0.000 0.443 106 K N -0.375 120.004 120.400 -0.036 0.000 2.103 106 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 106 K C 1.457 178.056 176.600 -0.002 0.000 1.048 106 K CA 1.486 57.755 56.287 -0.031 0.000 0.930 106 K CB -0.234 32.252 32.500 -0.024 0.000 0.716 106 K HN 0.467 nan 8.250 nan 0.000 0.444 107 D N 0.337 120.761 120.400 0.039 0.000 2.144 107 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 107 D C 1.963 178.287 176.300 0.041 0.000 0.978 107 D CA 0.865 54.900 54.000 0.058 0.000 0.833 107 D CB -0.193 40.684 40.800 0.129 0.000 0.961 107 D HN -0.046 nan 8.370 nan 0.000 0.470 108 V N 1.305 121.262 119.914 0.072 0.000 2.307 108 V HA -0.216 3.903 4.120 -0.000 0.000 0.245 108 V C 2.490 178.571 176.094 -0.023 0.000 1.045 108 V CA 1.545 63.866 62.300 0.035 0.000 1.024 108 V CB -0.295 31.572 31.823 0.074 0.000 0.651 108 V HN 0.137 nan 8.190 nan 0.000 0.449 109 R N 0.229 120.707 120.500 -0.037 0.000 2.092 109 R HA -0.105 4.235 4.340 -0.000 0.000 0.231 109 R C 2.028 178.305 176.300 -0.037 0.000 1.119 109 R CA 1.452 57.520 56.100 -0.052 0.000 0.970 109 R CB -0.436 29.819 30.300 -0.075 0.000 0.864 109 R HN 0.497 nan 8.270 nan 0.000 0.440 110 N N 0.797 119.481 118.700 -0.027 0.000 2.459 110 N HA -0.016 4.724 4.740 -0.000 0.000 0.181 110 N C 0.465 175.960 175.510 -0.025 0.000 1.046 110 N CA 0.624 53.661 53.050 -0.021 0.000 0.904 110 N CB 0.078 38.557 38.487 -0.013 0.000 0.964 110 N HN 0.156 nan 8.380 nan 0.000 0.444 111 L N 0.473 121.676 121.223 -0.032 0.000 3.754 111 L HA -0.196 4.144 4.340 -0.000 0.000 0.410 111 L C 0.021 176.868 176.870 -0.039 0.000 1.230 111 L CA -0.143 54.672 54.840 -0.041 0.000 0.901 111 L CB -2.576 39.460 42.059 -0.038 0.000 1.982 111 L HN 0.152 nan 8.230 nan 0.000 0.822 112 S N -0.722 114.955 115.700 -0.038 0.000 2.560 112 S HA 0.257 4.726 4.470 -0.000 0.000 0.284 112 S C 1.512 176.076 174.600 -0.059 0.000 1.327 112 S CA 0.046 58.224 58.200 -0.036 0.000 1.055 112 S CB 1.765 64.953 63.200 -0.020 0.000 0.868 112 S HN 0.554 nan 8.310 nan 0.000 0.506 113 S N 3.036 118.711 115.700 -0.042 0.000 2.383 113 S HA -0.173 4.297 4.470 -0.000 0.000 0.229 113 S C 1.733 176.295 174.600 -0.063 0.000 1.030 113 S CA 1.013 59.189 58.200 -0.040 0.000 1.002 113 S CB -0.546 62.640 63.200 -0.024 0.000 0.829 113 S HN 0.785 nan 8.310 nan 0.000 0.467 114 K N 1.480 121.836 120.400 -0.073 0.000 2.097 114 K HA 0.012 4.332 4.320 -0.000 0.000 0.206 114 K C 2.334 178.753 176.600 -0.301 0.000 1.049 114 K CA 1.245 57.472 56.287 -0.099 0.000 0.933 114 K CB -0.678 31.802 32.500 -0.033 0.000 0.717 114 K HN 0.501 nan 8.250 nan 0.000 0.442 115 A N 0.643 123.202 122.820 -0.436 0.000 1.841 115 A HA -0.097 4.223 4.320 -0.000 0.000 0.214 115 A C 2.320 179.636 177.584 -0.447 0.000 1.195 115 A CA 1.502 53.024 52.037 -0.858 0.000 0.611 115 A CB -0.775 17.942 19.000 -0.471 0.000 0.835 115 A HN 0.109 nan 8.150 nan 0.000 0.443 116 V N 1.276 121.062 119.914 -0.214 0.000 2.332 116 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 116 V C 2.204 178.313 176.094 0.024 0.000 1.055 116 V CA 2.328 64.567 62.300 -0.102 0.000 1.038 116 V CB -1.205 30.603 31.823 -0.025 0.000 0.651 116 V HN 0.612 nan 8.190 nan 0.000 0.450 117 N N -1.155 117.558 118.700 0.021 0.000 2.188 117 N HA -0.213 4.527 4.740 -0.000 0.000 0.184 117 N C 1.968 177.503 175.510 0.042 0.000 1.018 117 N CA 1.197 54.288 53.050 0.067 0.000 0.858 117 N CB -0.252 38.245 38.487 0.017 0.000 0.989 117 N HN 0.624 nan 8.380 nan 0.000 0.426 118 H N 1.513 120.503 119.070 -0.133 0.000 2.357 118 H HA -0.015 4.541 4.556 -0.000 0.000 0.301 118 H C 2.099 177.382 175.328 -0.075 0.000 1.082 118 H CA 1.041 57.020 56.048 -0.115 0.000 1.342 118 H CB 0.092 29.777 29.762 -0.129 0.000 1.389 118 H HN 0.167 nan 8.280 nan 0.000 0.511 119 I N 0.490 120.971 120.570 -0.147 0.000 2.226 119 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 119 I C 2.598 178.619 176.117 -0.160 0.000 1.100 119 I CA 1.074 62.273 61.300 -0.167 0.000 1.374 119 I CB -0.439 37.454 38.000 -0.177 0.000 1.057 119 I HN 0.347 nan 8.210 nan 0.000 0.413 120 H N -0.568 118.455 119.070 -0.079 0.000 2.387 120 H HA -0.142 4.414 4.556 -0.000 0.000 0.299 120 H C 2.570 177.895 175.328 -0.005 0.000 1.090 120 H CA 1.743 57.778 56.048 -0.022 0.000 1.332 120 H CB -0.130 29.606 29.762 -0.043 0.000 1.386 120 H HN 0.278 nan 8.280 nan 0.000 0.516 121 S N 0.086 115.792 115.700 0.011 0.000 2.383 121 S HA -0.079 4.390 4.470 -0.000 0.000 0.227 121 S C 2.349 176.864 174.600 -0.142 0.000 1.026 121 S CA 0.960 59.112 58.200 -0.080 0.000 0.981 121 S CB -0.280 62.826 63.200 -0.157 0.000 0.818 121 S HN 0.123 nan 8.310 nan 0.000 0.472 122 V N 1.144 120.916 119.914 -0.236 0.000 2.453 122 V HA -0.101 4.019 4.120 -0.000 0.000 0.247 122 V C 2.007 178.084 176.094 -0.028 0.000 1.048 122 V CA 1.551 63.736 62.300 -0.191 0.000 1.049 122 V CB -0.801 30.878 31.823 -0.241 0.000 0.672 122 V HN 0.692 nan 8.190 nan 0.000 0.457 123 W N 1.442 122.659 121.300 -0.137 0.000 2.354 123 W HA -0.228 4.432 4.660 -0.000 0.000 0.315 123 W C 2.535 179.018 176.519 -0.060 0.000 1.206 123 W CA 2.263 59.556 57.345 -0.087 0.000 1.290 123 W CB -0.208 29.206 29.460 -0.076 0.000 1.152 123 W HN 0.206 nan 8.180 nan 0.000 0.489 124 K N 0.556 121.008 120.400 0.087 0.000 2.059 124 K HA -0.296 4.024 4.320 -0.000 0.000 0.212 124 K C 1.977 178.511 176.600 -0.110 0.000 1.050 124 K CA 2.272 58.551 56.287 -0.013 0.000 0.927 124 K CB -0.845 31.681 32.500 0.044 0.000 0.714 124 K HN 0.113 nan 8.250 nan 0.000 0.447 125 D N 0.433 120.771 120.400 -0.104 0.000 2.117 125 D HA -0.173 4.466 4.640 -0.000 0.000 0.197 125 D C 2.059 178.262 176.300 -0.162 0.000 0.987 125 D CA 0.956 54.887 54.000 -0.115 0.000 0.829 125 D CB 0.053 40.791 40.800 -0.103 0.000 0.961 125 D HN 0.278 nan 8.370 nan 0.000 0.460 126 L N 0.443 121.529 121.223 -0.229 0.000 2.079 126 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 126 L C 2.740 179.411 176.870 -0.332 0.000 1.081 126 L CA 0.650 55.312 54.840 -0.298 0.000 0.752 126 L CB -0.278 41.539 42.059 -0.403 0.000 0.896 126 L HN 0.144 nan 8.230 nan 0.000 0.433 127 L N -0.898 120.091 121.223 -0.390 0.000 2.109 127 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 127 L C 2.328 179.093 176.870 -0.176 0.000 1.086 127 L CA 1.134 55.788 54.840 -0.310 0.000 0.760 127 L CB -0.366 41.506 42.059 -0.313 0.000 0.910 127 L HN 0.272 nan 8.230 nan 0.000 0.437 128 E N -0.849 119.266 120.200 -0.142 0.000 2.158 128 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 128 E C 0.243 176.793 176.600 -0.083 0.000 0.982 128 E CA 0.409 56.754 56.400 -0.092 0.000 0.823 128 E CB 0.333 29.990 29.700 -0.072 0.000 0.766 128 E HN 0.189 nan 8.360 nan 0.000 0.468 129 D N -0.346 119.996 120.400 -0.097 0.000 2.549 129 D HA 0.051 4.691 4.640 -0.000 0.000 0.251 129 D C -0.165 176.081 176.300 -0.090 0.000 1.153 129 D CA -0.311 53.642 54.000 -0.079 0.000 0.861 129 D CB 1.489 42.248 40.800 -0.069 0.000 1.207 129 D HN -0.052 nan 8.370 nan 0.000 0.543 130 T N 0.343 114.854 114.554 -0.072 0.000 3.174 130 T HA 0.209 4.558 4.350 -0.000 0.000 0.269 130 T C 1.185 175.853 174.700 -0.052 0.000 1.017 130 T CA 0.410 62.468 62.100 -0.071 0.000 0.899 130 T CB -0.207 68.624 68.868 -0.061 0.000 1.077 130 T HN 0.206 nan 8.240 nan 0.000 0.552 131 V N -2.748 117.139 119.914 -0.044 0.000 3.250 131 V HA 0.360 4.480 4.120 -0.000 0.000 0.240 131 V C 0.718 176.800 176.094 -0.020 0.000 1.275 131 V CA -0.035 62.248 62.300 -0.028 0.000 1.206 131 V CB -0.457 31.352 31.823 -0.022 0.000 0.976 131 V HN 0.291 nan 8.190 nan 0.000 0.467 132 T N 4.647 119.186 114.554 -0.024 0.000 2.751 132 T HA 0.326 4.675 4.350 -0.000 0.000 0.290 132 T C -2.489 172.205 174.700 -0.010 0.000 0.919 132 T CA -0.351 61.742 62.100 -0.010 0.000 1.136 132 T CB 0.539 69.400 68.868 -0.012 0.000 0.875 132 T HN 0.354 nan 8.240 nan 0.000 0.532 133 P HA 0.102 nan 4.420 nan 0.000 0.262 133 P C -0.147 177.148 177.300 -0.007 0.000 1.182 133 P CA 0.009 63.116 63.100 0.011 0.000 0.761 133 P CB 0.274 32.019 31.700 0.075 0.000 0.795 134 I N 2.445 122.994 120.570 -0.035 0.000 2.428 134 I HA 0.118 4.287 4.170 -0.000 0.000 0.289 134 I C 0.986 177.087 176.117 -0.027 0.000 1.019 134 I CA -0.375 60.910 61.300 -0.025 0.000 1.351 134 I CB 0.606 38.580 38.000 -0.044 0.000 1.412 134 I HN 0.318 nan 8.210 nan 0.000 0.513 135 D N 4.387 124.788 120.400 0.001 0.000 2.443 135 D HA 0.164 4.804 4.640 -0.000 0.000 0.239 135 D C -0.255 176.019 176.300 -0.043 0.000 1.136 135 D CA 0.276 54.267 54.000 -0.014 0.000 0.879 135 D CB 0.774 41.583 40.800 0.016 0.000 1.195 135 D HN 0.635 nan 8.370 nan 0.000 0.443 136 T N -0.463 114.038 114.554 -0.088 0.000 2.906 136 T HA 0.598 4.948 4.350 -0.000 0.000 0.295 136 T C -0.362 174.200 174.700 -0.231 0.000 1.075 136 T CA -0.973 61.037 62.100 -0.150 0.000 1.005 136 T CB 1.582 70.382 68.868 -0.114 0.000 1.136 136 T HN 0.212 nan 8.240 nan 0.000 0.498 137 T N 2.265 116.535 114.554 -0.474 0.000 2.795 137 T HA 0.549 4.899 4.350 -0.000 0.000 0.282 137 T C -0.283 174.154 174.700 -0.440 0.000 0.980 137 T CA -0.564 61.225 62.100 -0.519 0.000 1.012 137 T CB 0.653 69.027 68.868 -0.823 0.000 0.936 137 T HN 0.713 nan 8.240 nan 0.000 0.457 138 I N 4.423 124.901 120.570 -0.153 0.000 2.336 138 I HA 0.468 4.638 4.170 -0.000 0.000 0.292 138 I C -0.765 175.382 176.117 0.049 0.000 0.991 138 I CA -0.684 60.616 61.300 0.000 0.000 1.227 138 I CB 0.476 38.536 38.000 0.099 0.000 1.366 138 I HN 0.402 nan 8.210 nan 0.000 0.466 139 M N 6.433 126.116 119.600 0.138 0.000 2.591 139 M HA 0.528 5.008 4.480 -0.000 0.000 0.306 139 M C -0.446 175.926 176.300 0.121 0.000 1.190 139 M CA -0.633 54.758 55.300 0.152 0.000 0.889 139 M CB 1.830 34.585 32.600 0.258 0.000 1.728 139 M HN 0.589 nan 8.290 nan 0.000 0.458 140 A N 2.025 124.895 122.820 0.083 0.000 2.309 140 A HA 0.470 4.789 4.320 -0.000 0.000 0.298 140 A C -0.140 177.490 177.584 0.076 0.000 1.165 140 A CA -0.476 51.601 52.037 0.067 0.000 0.821 140 A CB 0.451 19.475 19.000 0.040 0.000 1.102 140 A HN 0.792 nan 8.150 nan 0.000 0.500 141 K N 1.934 122.380 120.400 0.077 0.000 2.249 141 K HA 0.152 4.472 4.320 -0.000 0.000 0.280 141 K C -0.735 175.889 176.600 0.040 0.000 1.033 141 K CA -0.396 55.927 56.287 0.061 0.000 0.946 141 K CB 0.329 32.873 32.500 0.073 0.000 1.005 141 K HN 0.758 nan 8.250 nan 0.000 0.469 142 N N 4.147 122.845 118.700 -0.002 0.000 2.500 142 N HA 0.145 4.885 4.740 -0.000 0.000 0.236 142 N C -1.104 174.308 175.510 -0.163 0.000 1.022 142 N CA -0.118 52.898 53.050 -0.056 0.000 0.935 142 N CB 1.242 39.697 38.487 -0.053 0.000 1.147 142 N HN 0.533 nan 8.380 nan 0.000 0.512 143 E N 0.513 120.604 120.200 -0.183 0.000 2.288 143 E HA 0.445 4.795 4.350 -0.000 0.000 0.268 143 E C -0.662 175.527 176.600 -0.685 0.000 0.885 143 E CA -0.929 55.229 56.400 -0.403 0.000 0.767 143 E CB 2.578 32.099 29.700 -0.299 0.000 1.220 143 E HN 0.083 nan 8.360 nan 0.000 0.427 144 V N 3.282 122.630 119.914 -0.944 0.000 2.481 144 V HA 0.458 4.578 4.120 -0.000 0.000 0.286 144 V C -0.698 174.703 176.094 -1.155 0.000 1.042 144 V CA -0.185 61.554 62.300 -0.934 0.000 0.928 144 V CB 0.142 31.508 31.823 -0.762 0.000 0.986 144 V HN 0.511 nan 8.190 nan 0.000 0.462 145 F N 2.117 121.687 119.950 -0.632 0.000 2.675 145 F HA 0.621 5.148 4.527 -0.000 0.000 0.324 145 F C 0.065 175.642 175.800 -0.372 0.000 1.106 145 F CA -0.770 56.937 58.000 -0.488 0.000 0.970 145 F CB 1.313 40.014 39.000 -0.499 0.000 1.385 145 F HN 0.532 nan 8.300 nan 0.000 0.489 146 C N 1.742 121.117 119.300 0.125 0.000 2.358 146 C HA 0.767 5.227 4.460 -0.000 0.000 0.342 146 C C -0.075 175.114 174.990 0.331 0.000 1.234 146 C CA -0.602 58.531 59.018 0.192 0.000 1.969 146 C CB 0.245 28.061 27.740 0.128 0.000 2.346 146 C HN 0.556 nan 8.230 nan 0.000 0.525 147 V N 6.882 127.028 119.914 0.386 0.000 2.625 147 V HA 0.054 4.174 4.120 -0.000 0.000 0.305 147 V C 0.432 176.618 176.094 0.153 0.000 1.055 147 V CA 1.081 63.547 62.300 0.278 0.000 1.209 147 V CB -0.070 31.850 31.823 0.161 0.000 0.877 147 V HN 0.978 nan 8.190 nan 0.000 0.489 155 K N 3.229 123.605 120.400 -0.039 0.000 2.298 155 K HA 0.280 4.599 4.320 -0.000 0.000 0.280 155 K C -2.231 174.373 176.600 0.006 0.000 1.032 155 K CA -1.543 54.690 56.287 -0.089 0.000 0.958 155 K CB 0.438 32.737 32.500 -0.334 0.000 0.978 155 K HN 0.184 nan 8.250 nan 0.000 0.472 156 P HA 0.052 nan 4.420 nan 0.000 0.276 156 P C -0.901 176.438 177.300 0.065 0.000 1.244 156 P CA -0.561 62.555 63.100 0.027 0.000 0.801 156 P CB 0.664 32.364 31.700 -0.001 0.000 1.006 157 A N 2.927 125.796 122.820 0.082 0.000 2.565 157 A HA 0.018 4.338 4.320 -0.000 0.000 0.237 157 A C 0.547 178.181 177.584 0.083 0.000 1.053 157 A CA 0.127 52.224 52.037 0.100 0.000 0.755 157 A CB -0.465 18.581 19.000 0.076 0.000 0.980 157 A HN 0.453 nan 8.150 nan 0.000 0.506 158 R N 0.722 121.289 120.500 0.112 0.000 2.694 158 R HA 0.309 4.649 4.340 -0.000 0.000 0.268 158 R C -0.599 175.761 176.300 0.099 0.000 1.061 158 R CA -0.032 56.134 56.100 0.110 0.000 1.133 158 R CB 0.275 30.655 30.300 0.134 0.000 1.020 158 R HN 0.663 nan 8.270 nan 0.000 0.475 159 L N 3.475 124.761 121.223 0.105 0.000 2.289 159 L HA 0.407 4.747 4.340 -0.000 0.000 0.285 159 L C -0.257 176.710 176.870 0.162 0.000 1.049 159 L CA -0.776 54.132 54.840 0.113 0.000 0.804 159 L CB 1.241 43.352 42.059 0.086 0.000 1.195 159 L HN 0.471 nan 8.230 nan 0.000 0.428 160 I N 4.041 124.723 120.570 0.187 0.000 2.354 160 I HA 0.426 4.596 4.170 -0.000 0.000 0.292 160 I C -0.665 175.645 176.117 0.321 0.000 0.989 160 I CA -0.230 61.220 61.300 0.250 0.000 1.188 160 I CB 1.609 39.748 38.000 0.232 0.000 1.342 160 I HN 0.201 nan 8.210 nan 0.000 0.457 161 V N 9.037 129.135 119.914 0.306 0.000 2.409 161 V HA 0.608 4.727 4.120 -0.000 0.000 0.291 161 V C -0.725 175.544 176.094 0.292 0.000 1.020 161 V CA -0.505 61.925 62.300 0.217 0.000 0.848 161 V CB 1.040 32.965 31.823 0.170 0.000 0.990 161 V HN 0.616 nan 8.190 nan 0.000 0.430 162 F N 4.845 124.840 119.950 0.076 0.000 2.641 162 F HA 0.924 5.451 4.527 -0.000 0.000 0.308 162 F C -3.180 172.657 175.800 0.062 0.000 1.105 162 F CA -2.483 55.560 58.000 0.072 0.000 0.964 162 F CB 1.747 40.783 39.000 0.061 0.000 1.294 162 F HN 0.310 nan 8.300 nan 0.000 0.442 163 P HA 0.217 nan 4.420 nan 0.000 0.281 163 P C -1.105 176.305 177.300 0.184 0.000 1.281 163 P CA -0.189 62.972 63.100 0.102 0.000 0.811 163 P CB 1.271 33.036 31.700 0.109 0.000 1.154 164 D N -0.696 119.797 120.400 0.155 0.000 2.423 164 D HA -0.049 4.591 4.640 -0.000 0.000 0.238 164 D C 1.395 177.812 176.300 0.196 0.000 1.142 164 D CA -0.243 53.875 54.000 0.196 0.000 0.884 164 D CB 0.288 41.262 40.800 0.289 0.000 1.199 164 D HN 0.125 nan 8.370 nan 0.000 0.438 165 L N 3.786 125.100 121.223 0.151 0.000 2.064 165 L HA -0.105 4.235 4.340 -0.000 0.000 0.216 165 L C 2.017 179.000 176.870 0.188 0.000 1.077 165 L CA 2.678 57.587 54.840 0.115 0.000 0.766 165 L CB -1.050 41.013 42.059 0.007 0.000 0.890 165 L HN 0.665 nan 8.230 nan 0.000 0.435 166 G N -1.265 107.712 108.800 0.295 0.000 2.446 166 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 166 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 166 G C 1.530 176.534 174.900 0.173 0.000 1.168 166 G CA 1.160 46.469 45.100 0.348 0.000 0.771 166 G HN 0.365 nan 8.290 nan 0.000 0.551 167 V N 0.833 120.839 119.914 0.154 0.000 2.343 167 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 167 V C 2.941 179.106 176.094 0.119 0.000 1.051 167 V CA 2.018 64.383 62.300 0.108 0.000 1.036 167 V CB -0.486 31.392 31.823 0.092 0.000 0.654 167 V HN 0.340 nan 8.190 nan 0.000 0.451 168 R N -0.323 120.254 120.500 0.128 0.000 2.081 168 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 168 R C 2.238 178.587 176.300 0.082 0.000 1.131 168 R CA 1.457 57.624 56.100 0.112 0.000 0.960 168 R CB -0.653 29.705 30.300 0.096 0.000 0.856 168 R HN 0.424 nan 8.270 nan 0.000 0.436 169 V N 0.576 120.531 119.914 0.069 0.000 2.343 169 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 169 V C 2.521 178.635 176.094 0.033 0.000 1.051 169 V CA 1.617 63.930 62.300 0.021 0.000 1.036 169 V CB -0.479 31.350 31.823 0.010 0.000 0.654 169 V HN 0.456 nan 8.190 nan 0.000 0.451 170 C N -0.156 119.206 119.300 0.103 0.000 2.429 170 C HA -0.142 4.317 4.460 -0.000 0.000 0.277 170 C C 2.664 177.815 174.990 0.268 0.000 1.262 170 C CA 0.874 60.033 59.018 0.235 0.000 1.733 170 C CB -1.026 26.905 27.740 0.318 0.000 2.010 170 C HN 0.622 nan 8.230 nan 0.000 0.483 171 E N 0.949 121.263 120.200 0.189 0.000 2.070 171 E HA -0.242 4.108 4.350 -0.000 0.000 0.197 171 E C 2.155 178.864 176.600 0.181 0.000 1.004 171 E CA 1.283 57.804 56.400 0.201 0.000 0.805 171 E CB -0.190 29.637 29.700 0.212 0.000 0.744 171 E HN 0.662 nan 8.360 nan 0.000 0.451 172 K N 0.326 120.802 120.400 0.125 0.000 2.026 172 K HA -0.133 4.187 4.320 -0.000 0.000 0.208 172 K C 2.228 178.876 176.600 0.080 0.000 1.048 172 K CA 1.422 57.769 56.287 0.100 0.000 0.929 172 K CB -0.195 32.286 32.500 -0.031 0.000 0.713 172 K HN 0.125 nan 8.250 nan 0.000 0.439 173 M N 0.532 120.139 119.600 0.011 0.000 2.080 173 M HA -0.193 4.287 4.480 -0.000 0.000 0.260 173 M C 2.451 178.790 176.300 0.065 0.000 1.068 173 M CA 1.867 57.106 55.300 -0.102 0.000 1.109 173 M CB -0.346 31.984 32.600 -0.449 0.000 1.342 173 M HN 0.253 nan 8.290 nan 0.000 0.405 174 A N -0.706 122.279 122.820 0.274 0.000 1.930 174 A HA 0.039 4.359 4.320 -0.000 0.000 0.215 174 A C 1.828 179.502 177.584 0.150 0.000 1.176 174 A CA 1.207 53.433 52.037 0.315 0.000 0.632 174 A CB -0.185 19.020 19.000 0.342 0.000 0.819 174 A HN 0.502 nan 8.150 nan 0.000 0.445 175 L N -3.225 118.072 121.223 0.122 0.000 3.174 175 L HA 0.196 4.536 4.340 -0.000 0.000 0.283 175 L C 1.753 178.643 176.870 0.034 0.000 1.187 175 L CA 0.007 54.857 54.840 0.017 0.000 1.018 175 L CB 0.133 42.168 42.059 -0.040 0.000 1.433 175 L HN 0.452 nan 8.230 nan 0.000 0.593 176 Y N 1.396 121.702 120.300 0.009 0.000 2.165 176 Y HA -0.321 4.229 4.550 -0.000 0.000 0.286 176 Y C 2.199 178.124 175.900 0.042 0.000 1.155 176 Y CA 2.284 60.408 58.100 0.039 0.000 1.164 176 Y CB 0.144 38.617 38.460 0.022 0.000 0.978 176 Y HN 0.220 nan 8.280 nan 0.000 0.513 177 D N -0.693 119.735 120.400 0.048 0.000 2.117 177 D HA -0.161 4.479 4.640 -0.000 0.000 0.198 177 D C 2.233 178.465 176.300 -0.112 0.000 0.982 177 D CA 1.407 55.384 54.000 -0.038 0.000 0.828 177 D CB -0.238 40.591 40.800 0.049 0.000 0.967 177 D HN 0.265 nan 8.370 nan 0.000 0.464 178 V N 0.599 120.450 119.914 -0.105 0.000 2.233 178 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 178 V C 2.758 178.735 176.094 -0.195 0.000 1.050 178 V CA 1.956 64.170 62.300 -0.143 0.000 1.010 178 V CB -0.785 30.920 31.823 -0.197 0.000 0.637 178 V HN 0.329 nan 8.190 nan 0.000 0.444 179 V N -2.043 117.730 119.914 -0.236 0.000 2.626 179 V HA -0.140 3.980 4.120 -0.000 0.000 0.252 179 V C 2.120 178.037 176.094 -0.295 0.000 1.067 179 V CA 2.236 64.386 62.300 -0.251 0.000 1.081 179 V CB -0.643 31.048 31.823 -0.221 0.000 0.686 179 V HN 0.480 nan 8.190 nan 0.000 0.468 180 S N 0.247 115.767 115.700 -0.299 0.000 2.461 180 S HA -0.030 4.439 4.470 -0.000 0.000 0.228 180 S C 1.794 176.282 174.600 -0.187 0.000 1.005 180 S CA 1.601 59.649 58.200 -0.254 0.000 0.942 180 S CB -0.103 62.904 63.200 -0.323 0.000 0.776 180 S HN 0.815 nan 8.310 nan 0.000 0.514 181 T N 0.967 115.407 114.554 -0.190 0.000 3.058 181 T HA 0.242 4.592 4.350 -0.000 0.000 0.247 181 T C 1.548 176.136 174.700 -0.187 0.000 0.987 181 T CA -0.135 61.875 62.100 -0.150 0.000 1.062 181 T CB -0.217 68.591 68.868 -0.100 0.000 1.048 181 T HN 0.160 nan 8.240 nan 0.000 0.468 182 L N 2.705 123.814 121.223 -0.191 0.000 2.017 182 L HA 0.069 4.409 4.340 -0.000 0.000 0.208 182 L C -1.132 175.567 176.870 -0.285 0.000 1.073 182 L CA 2.056 56.791 54.840 -0.175 0.000 0.745 182 L CB -1.094 40.910 42.059 -0.092 0.000 0.894 182 L HN 0.075 nan 8.230 nan 0.000 0.432 183 P HA -0.212 nan 4.420 nan 0.000 0.215 183 P C 1.463 178.333 177.300 -0.716 0.000 1.153 183 P CA 1.333 64.010 63.100 -0.706 0.000 0.853 183 P CB -0.203 30.727 31.700 -1.283 0.000 0.788 184 Q N 0.047 119.457 119.800 -0.651 0.000 2.124 184 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 184 Q C 1.978 177.846 176.000 -0.219 0.000 0.977 184 Q CA 1.525 57.136 55.803 -0.321 0.000 0.850 184 Q CB -0.711 27.932 28.738 -0.160 0.000 0.901 184 Q HN 0.073 nan 8.270 nan 0.000 0.429 185 V N 0.196 119.987 119.914 -0.204 0.000 2.295 185 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 185 V C 2.556 178.556 176.094 -0.156 0.000 1.049 185 V CA 1.528 63.742 62.300 -0.143 0.000 1.024 185 V CB -0.570 31.186 31.823 -0.112 0.000 0.648 185 V HN 0.145 nan 8.190 nan 0.000 0.447 186 V N -0.756 119.032 119.914 -0.211 0.000 2.307 186 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 186 V C 2.081 177.997 176.094 -0.297 0.000 1.045 186 V CA 2.344 64.510 62.300 -0.224 0.000 1.024 186 V CB -0.446 31.229 31.823 -0.248 0.000 0.651 186 V HN 0.472 nan 8.190 nan 0.000 0.449 187 M N -1.451 117.914 119.600 -0.393 0.000 2.337 187 M HA 0.355 4.834 4.480 -0.000 0.000 0.256 187 M C 1.436 177.619 176.300 -0.195 0.000 1.075 187 M CA 0.724 55.718 55.300 -0.510 0.000 1.024 187 M CB 0.594 32.764 32.600 -0.716 0.000 1.429 187 M HN 0.484 nan 8.290 nan 0.000 0.497 188 G N 1.607 110.321 108.800 -0.143 0.000 2.611 188 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.301 188 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.301 188 G C 0.815 175.666 174.900 -0.082 0.000 1.233 188 G CA 0.858 45.913 45.100 -0.075 0.000 0.993 188 G HN 0.537 nan 8.290 nan 0.000 0.553 189 S N -0.566 115.105 115.700 -0.049 0.000 2.555 189 S HA 0.154 4.624 4.470 -0.000 0.000 0.230 189 S C 2.142 176.606 174.600 -0.227 0.000 0.978 189 S CA 1.764 59.874 58.200 -0.149 0.000 0.934 189 S CB 0.069 63.238 63.200 -0.053 0.000 0.766 189 S HN 0.904 nan 8.310 nan 0.000 0.533 190 S N 0.335 116.024 115.700 -0.018 0.000 2.489 190 S HA 0.124 4.593 4.470 -0.000 0.000 0.228 190 S C 0.185 174.784 174.600 -0.002 0.000 0.995 190 S CA -0.093 58.156 58.200 0.082 0.000 0.934 190 S CB -0.385 62.984 63.200 0.282 0.000 0.771 190 S HN 0.714 nan 8.310 nan 0.000 0.522 191 Y N 2.784 122.930 120.300 -0.257 0.000 2.584 191 Y HA 0.454 5.004 4.550 -0.000 0.000 0.351 191 Y C 1.222 176.857 175.900 -0.441 0.000 1.030 191 Y CA -1.400 56.516 58.100 -0.307 0.000 1.332 191 Y CB 0.034 38.317 38.460 -0.295 0.000 1.148 191 Y HN 0.049 nan 8.280 nan 0.000 0.528 192 G N 4.328 112.661 108.800 -0.778 0.000 2.484 192 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.218 192 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.218 192 G C 0.976 175.311 174.900 -0.942 0.000 1.130 192 G CA 0.128 44.792 45.100 -0.727 0.000 0.784 192 G HN 0.628 nan 8.290 nan 0.000 0.543 193 F N 1.142 120.329 119.950 -1.271 0.000 2.802 193 F HA 0.066 4.593 4.527 -0.000 0.000 0.300 193 F C 2.734 178.234 175.800 -0.499 0.000 1.168 193 F CA 0.682 58.028 58.000 -1.090 0.000 1.433 193 F CB 0.044 38.407 39.000 -1.063 0.000 1.115 193 F HN 0.367 nan 8.300 nan 0.000 0.582 194 Q N -0.708 118.827 119.800 -0.441 0.000 2.432 194 Q HA -0.072 4.267 4.340 -0.000 0.000 0.205 194 Q C -0.531 175.415 176.000 -0.090 0.000 0.945 194 Q CA 0.665 56.359 55.803 -0.182 0.000 0.924 194 Q CB -0.207 28.348 28.738 -0.305 0.000 1.016 194 Q HN 0.262 nan 8.270 nan 0.000 0.503 195 Y N 2.053 122.364 120.300 0.019 0.000 2.323 195 Y HA 0.287 4.836 4.550 -0.000 0.000 0.331 195 Y C 0.652 176.379 175.900 -0.288 0.000 1.092 195 Y CA -1.357 56.685 58.100 -0.097 0.000 1.150 195 Y CB 1.411 39.777 38.460 -0.156 0.000 1.200 195 Y HN 0.113 nan 8.280 nan 0.000 0.472 196 S N 3.076 118.438 115.700 -0.563 0.000 2.608 196 S HA 0.229 4.699 4.470 -0.000 0.000 0.261 196 S C -1.968 172.268 174.600 -0.606 0.000 1.314 196 S CA -1.049 56.311 58.200 -1.399 0.000 0.992 196 S CB 1.148 63.681 63.200 -1.112 0.000 0.935 196 S HN 0.416 nan 8.310 nan 0.000 0.564 197 P HA 0.022 nan 4.420 nan 0.000 0.216 197 P C 1.734 178.915 177.300 -0.199 0.000 1.150 197 P CA 1.644 64.579 63.100 -0.275 0.000 0.837 197 P CB -0.582 30.981 31.700 -0.229 0.000 0.786 198 G N -0.109 108.529 108.800 -0.271 0.000 2.440 198 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.218 198 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.218 198 G C 1.550 176.369 174.900 -0.136 0.000 1.154 198 G CA 0.680 45.691 45.100 -0.148 0.000 0.767 198 G HN 0.314 nan 8.290 nan 0.000 0.552 199 Q N -0.622 119.071 119.800 -0.178 0.000 2.123 199 Q HA 0.042 4.382 4.340 -0.000 0.000 0.199 199 Q C 2.591 178.364 176.000 -0.378 0.000 0.966 199 Q CA 0.842 56.531 55.803 -0.190 0.000 0.845 199 Q CB -0.096 28.615 28.738 -0.046 0.000 0.907 199 Q HN 0.467 nan 8.270 nan 0.000 0.439 200 R N 0.275 120.598 120.500 -0.295 0.000 2.075 200 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 200 R C 2.180 178.378 176.300 -0.170 0.000 1.126 200 R CA 1.028 56.955 56.100 -0.290 0.000 0.963 200 R CB -0.273 29.983 30.300 -0.073 0.000 0.858 200 R HN 0.156 nan 8.270 nan 0.000 0.435 201 V N 1.372 121.217 119.914 -0.115 0.000 2.427 201 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 201 V C 2.183 178.209 176.094 -0.114 0.000 1.051 201 V CA 2.229 64.478 62.300 -0.085 0.000 1.048 201 V CB -0.238 31.577 31.823 -0.014 0.000 0.666 201 V HN 0.495 nan 8.190 nan 0.000 0.456 202 E N -0.777 119.359 120.200 -0.105 0.000 2.051 202 E HA -0.275 4.075 4.350 -0.000 0.000 0.192 202 E C 2.126 178.664 176.600 -0.104 0.000 0.991 202 E CA 1.825 58.168 56.400 -0.094 0.000 0.799 202 E CB -0.352 29.308 29.700 -0.068 0.000 0.748 202 E HN 0.628 nan 8.360 nan 0.000 0.449 203 F N 1.319 121.084 119.950 -0.307 0.000 2.134 203 F HA -0.144 4.383 4.527 -0.000 0.000 0.299 203 F C 1.984 177.666 175.800 -0.197 0.000 1.097 203 F CA 1.280 59.099 58.000 -0.301 0.000 1.264 203 F CB -0.214 38.453 39.000 -0.554 0.000 1.001 203 F HN 0.009 nan 8.300 nan 0.000 0.479 204 L N -0.896 120.199 121.223 -0.212 0.000 2.017 204 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 204 L C 2.376 179.100 176.870 -0.243 0.000 1.073 204 L CA 1.106 55.799 54.840 -0.246 0.000 0.745 204 L CB -0.795 41.167 42.059 -0.161 0.000 0.894 204 L HN -0.007 nan 8.230 nan 0.000 0.432 205 V N -0.029 119.727 119.914 -0.264 0.000 2.270 205 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 205 V C 2.218 178.203 176.094 -0.182 0.000 1.043 205 V CA 1.883 64.004 62.300 -0.298 0.000 1.014 205 V CB -0.692 30.826 31.823 -0.509 0.000 0.645 205 V HN 0.463 nan 8.190 nan 0.000 0.447 206 N N 0.268 118.850 118.700 -0.196 0.000 2.069 206 N HA -0.156 4.584 4.740 -0.000 0.000 0.191 206 N C 1.916 177.308 175.510 -0.197 0.000 1.031 206 N CA 2.091 55.045 53.050 -0.161 0.000 0.852 206 N CB -0.851 37.559 38.487 -0.128 0.000 1.018 206 N HN 0.464 nan 8.380 nan 0.000 0.423 207 T N 0.462 114.808 114.554 -0.347 0.000 2.720 207 T HA -0.167 4.182 4.350 -0.000 0.000 0.268 207 T C 1.502 176.099 174.700 -0.172 0.000 1.037 207 T CA 0.821 62.705 62.100 -0.361 0.000 1.144 207 T CB -0.314 68.183 68.868 -0.619 0.000 0.864 207 T HN 0.427 nan 8.240 nan 0.000 0.444 208 W N 2.303 123.430 121.300 -0.288 0.000 2.335 208 W HA -0.117 4.543 4.660 -0.000 0.000 0.311 208 W C 1.852 178.275 176.519 -0.159 0.000 1.213 208 W CA 1.258 58.477 57.345 -0.210 0.000 1.274 208 W CB -0.153 29.178 29.460 -0.215 0.000 1.148 208 W HN 0.267 nan 8.180 nan 0.000 0.498 209 K N 0.216 120.604 120.400 -0.020 0.000 2.217 209 K HA -0.121 4.199 4.320 -0.000 0.000 0.202 209 K C 2.090 178.620 176.600 -0.117 0.000 1.051 209 K CA 1.520 57.767 56.287 -0.067 0.000 0.952 209 K CB -0.398 32.086 32.500 -0.026 0.000 0.736 209 K HN 0.069 nan 8.250 nan 0.000 0.453 210 S N 0.898 116.518 115.700 -0.133 0.000 2.507 210 S HA -0.043 4.427 4.470 -0.000 0.000 0.235 210 S C 0.562 175.075 174.600 -0.144 0.000 0.988 210 S CA 0.528 58.655 58.200 -0.122 0.000 0.944 210 S CB -0.048 63.080 63.200 -0.119 0.000 0.762 210 S HN -0.004 nan 8.310 nan 0.000 0.526 211 K N 1.828 122.099 120.400 -0.214 0.000 2.183 211 K HA 0.374 4.694 4.320 -0.000 0.000 0.274 211 K C 0.528 177.002 176.600 -0.210 0.000 1.009 211 K CA -0.391 55.755 56.287 -0.235 0.000 0.888 211 K CB 1.339 33.627 32.500 -0.354 0.000 1.078 211 K HN 0.176 nan 8.250 nan 0.000 0.459 212 K N 1.484 121.796 120.400 -0.148 0.000 1.985 212 K HA -0.155 4.165 4.320 -0.000 0.000 0.210 212 K C -0.027 176.498 176.600 -0.125 0.000 1.047 212 K CA 1.549 57.769 56.287 -0.111 0.000 0.932 212 K CB -0.065 32.389 32.500 -0.077 0.000 0.716 212 K HN 0.533 nan 8.250 nan 0.000 0.439 213 N N 1.606 120.226 118.700 -0.134 0.000 2.569 213 N HA 0.204 4.944 4.740 -0.000 0.000 0.254 213 N C -2.854 172.531 175.510 -0.209 0.000 1.004 213 N CA -1.523 51.451 53.050 -0.127 0.000 0.904 213 N CB 1.660 40.112 38.487 -0.058 0.000 1.165 213 N HN -0.006 nan 8.380 nan 0.000 0.513 214 P HA 0.196 nan 4.420 nan 0.000 0.285 214 P C -0.908 176.035 177.300 -0.594 0.000 1.259 214 P CA -0.415 62.219 63.100 -0.777 0.000 0.794 214 P CB 1.154 31.814 31.700 -1.734 0.000 0.940 215 M N 2.473 121.799 119.600 -0.457 0.000 2.457 215 M HA 0.679 5.159 4.480 -0.000 0.000 0.300 215 M C -1.020 175.218 176.300 -0.103 0.000 1.141 215 M CA -0.320 54.807 55.300 -0.287 0.000 0.901 215 M CB 2.460 34.941 32.600 -0.198 0.000 1.687 215 M HN 0.572 nan 8.290 nan 0.000 0.449 216 G N 3.668 112.532 108.800 0.107 0.000 2.619 216 G HA2 0.835 4.794 3.960 -0.000 0.000 0.296 216 G HA3 0.835 4.794 3.960 -0.000 0.000 0.296 216 G C -2.008 172.988 174.900 0.160 0.000 1.334 216 G CA -0.599 44.596 45.100 0.159 0.000 0.934 216 G HN 0.772 nan 8.290 nan 0.000 0.476 217 F N -0.309 119.606 119.950 -0.059 0.000 2.628 217 F HA 0.760 5.287 4.527 -0.000 0.000 0.309 217 F C -0.168 175.615 175.800 -0.028 0.000 1.108 217 F CA -1.475 56.488 58.000 -0.062 0.000 0.971 217 F CB 1.283 40.230 39.000 -0.088 0.000 1.279 217 F HN 0.632 nan 8.300 nan 0.000 0.441 218 S N 1.596 117.366 115.700 0.116 0.000 2.616 218 S HA 0.595 5.065 4.470 -0.000 0.000 0.277 218 S C -1.412 173.366 174.600 0.297 0.000 1.234 218 S CA -0.511 57.742 58.200 0.089 0.000 1.028 218 S CB 1.437 64.669 63.200 0.055 0.000 0.988 218 S HN 0.865 nan 8.310 nan 0.000 0.522 219 Y N 1.344 121.738 120.300 0.157 0.000 2.338 219 Y HA 0.414 4.964 4.550 -0.000 0.000 0.328 219 Y C -0.967 175.047 175.900 0.191 0.000 0.965 219 Y CA -0.860 57.398 58.100 0.264 0.000 1.208 219 Y CB 1.326 40.041 38.460 0.424 0.000 1.132 219 Y HN 0.862 nan 8.280 nan 0.000 0.469 220 D N 4.552 124.800 120.400 -0.253 0.000 2.396 220 D HA 0.204 4.843 4.640 -0.000 0.000 0.225 220 D C -0.637 175.527 176.300 -0.227 0.000 1.121 220 D CA -0.043 53.874 54.000 -0.139 0.000 0.853 220 D CB 0.914 41.664 40.800 -0.082 0.000 1.043 220 D HN 0.466 nan 8.370 nan 0.000 0.500 221 T N 3.717 118.306 114.554 0.059 0.000 2.901 221 T HA 0.096 4.446 4.350 -0.000 0.000 0.301 221 T C 0.519 175.319 174.700 0.167 0.000 1.012 221 T CA -0.400 61.829 62.100 0.215 0.000 1.135 221 T CB 0.636 69.857 68.868 0.589 0.000 0.936 221 T HN 0.302 nan 8.240 nan 0.000 0.539 222 R N 2.310 122.875 120.500 0.108 0.000 2.345 222 R HA 0.157 4.497 4.340 -0.000 0.000 0.331 222 R C -0.341 176.071 176.300 0.187 0.000 1.067 222 R CA -0.213 55.939 56.100 0.087 0.000 0.962 222 R CB -0.883 29.408 30.300 -0.015 0.000 0.987 222 R HN 0.929 nan 8.270 nan 0.000 0.451 223 C N 5.351 124.789 119.300 0.229 0.000 3.873 223 C HA -0.165 4.295 4.460 -0.000 0.000 0.302 223 C C 1.311 176.512 174.990 0.351 0.000 1.266 223 C CA 0.167 59.366 59.018 0.302 0.000 2.185 223 C CB -2.931 25.032 27.740 0.371 0.000 1.380 223 C HN 1.036 nan 8.230 nan 0.000 0.623 224 F N 1.887 121.958 119.950 0.201 0.000 2.087 224 F HA -0.220 4.307 4.527 -0.000 0.000 0.299 224 F C 1.937 177.846 175.800 0.182 0.000 1.100 224 F CA 2.474 60.592 58.000 0.196 0.000 1.226 224 F CB 0.004 39.109 39.000 0.175 0.000 0.983 224 F HN 0.488 nan 8.300 nan 0.000 0.479 225 D N -0.369 120.245 120.400 0.358 0.000 2.158 225 D HA -0.180 4.460 4.640 -0.000 0.000 0.197 225 D C 2.447 178.788 176.300 0.069 0.000 0.995 225 D CA 1.718 55.850 54.000 0.220 0.000 0.846 225 D CB -0.557 40.390 40.800 0.244 0.000 0.941 225 D HN 0.262 nan 8.370 nan 0.000 0.456 226 S N -0.620 115.145 115.700 0.108 0.000 2.453 226 S HA -0.099 4.371 4.470 -0.000 0.000 0.231 226 S C 2.027 176.554 174.600 -0.121 0.000 1.005 226 S CA 1.379 59.558 58.200 -0.035 0.000 0.949 226 S CB -0.179 63.038 63.200 0.028 0.000 0.774 226 S HN 0.539 nan 8.310 nan 0.000 0.510 227 T N -0.549 114.017 114.554 0.019 0.000 3.067 227 T HA 0.139 4.488 4.350 -0.000 0.000 0.261 227 T C 0.610 175.224 174.700 -0.143 0.000 1.110 227 T CA 0.013 62.126 62.100 0.022 0.000 1.113 227 T CB -0.385 68.505 68.868 0.038 0.000 0.917 227 T HN 0.028 nan 8.240 nan 0.000 0.499 228 V N 4.178 123.960 119.914 -0.220 0.000 2.450 228 V HA 0.288 4.408 4.120 -0.000 0.000 0.281 228 V C 1.196 177.220 176.094 -0.116 0.000 1.019 228 V CA -0.147 62.042 62.300 -0.185 0.000 1.062 228 V CB -0.087 31.656 31.823 -0.133 0.000 0.979 228 V HN 0.727 nan 8.190 nan 0.000 0.477 229 T N 0.946 115.450 114.554 -0.084 0.000 2.862 229 T HA 0.293 4.643 4.350 -0.000 0.000 0.276 229 T C 1.066 175.738 174.700 -0.047 0.000 0.974 229 T CA -0.309 61.751 62.100 -0.068 0.000 0.966 229 T CB 1.411 70.247 68.868 -0.052 0.000 1.072 229 T HN 0.671 nan 8.240 nan 0.000 0.538 230 E N 0.394 120.570 120.200 -0.041 0.000 2.085 230 E HA -0.274 4.076 4.350 -0.000 0.000 0.194 230 E C 1.985 178.579 176.600 -0.010 0.000 0.994 230 E CA 1.641 58.029 56.400 -0.020 0.000 0.801 230 E CB -0.260 29.430 29.700 -0.017 0.000 0.743 230 E HN 0.781 nan 8.360 nan 0.000 0.453 231 N N 0.729 119.420 118.700 -0.016 0.000 2.060 231 N HA -0.224 4.516 4.740 -0.000 0.000 0.195 231 N C 1.456 176.973 175.510 0.011 0.000 1.028 231 N CA 2.311 55.356 53.050 -0.007 0.000 0.861 231 N CB -0.147 38.324 38.487 -0.028 0.000 1.029 231 N HN 0.136 nan 8.380 nan 0.000 0.428 232 D N -0.105 120.300 120.400 0.008 0.000 2.117 232 D HA -0.118 4.522 4.640 -0.000 0.000 0.197 232 D C 1.977 178.279 176.300 0.005 0.000 0.987 232 D CA 1.039 55.054 54.000 0.025 0.000 0.829 232 D CB -0.265 40.542 40.800 0.011 0.000 0.961 232 D HN 0.482 nan 8.370 nan 0.000 0.460 233 I N 0.505 121.078 120.570 0.004 0.000 2.353 233 I HA -0.157 4.013 4.170 -0.000 0.000 0.248 233 I C 2.451 178.571 176.117 0.005 0.000 1.119 233 I CA 0.746 62.055 61.300 0.015 0.000 1.417 233 I CB -0.042 37.988 38.000 0.050 0.000 1.078 233 I HN -0.119 nan 8.210 nan 0.000 0.421 234 R N 0.175 120.679 120.500 0.006 0.000 2.075 234 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 234 R C 2.339 178.617 176.300 -0.035 0.000 1.126 234 R CA 1.146 57.245 56.100 -0.002 0.000 0.963 234 R CB -0.535 29.769 30.300 0.006 0.000 0.858 234 R HN 0.195 nan 8.270 nan 0.000 0.435 235 V N 1.585 121.482 119.914 -0.028 0.000 2.287 235 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 235 V C 2.017 178.022 176.094 -0.147 0.000 1.053 235 V CA 1.928 64.200 62.300 -0.047 0.000 1.027 235 V CB -0.477 31.360 31.823 0.022 0.000 0.646 235 V HN 0.353 nan 8.190 nan 0.000 0.447 236 E N -0.357 119.726 120.200 -0.195 0.000 2.070 236 E HA -0.297 4.053 4.350 -0.000 0.000 0.197 236 E C 2.353 178.486 176.600 -0.778 0.000 1.004 236 E CA 1.673 57.806 56.400 -0.445 0.000 0.805 236 E CB -0.197 29.287 29.700 -0.360 0.000 0.744 236 E HN 0.628 nan 8.360 nan 0.000 0.451 237 E N 0.370 120.329 120.200 -0.401 0.000 2.150 237 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 237 E C 2.079 178.609 176.600 -0.117 0.000 0.985 237 E CA 1.300 57.587 56.400 -0.188 0.000 0.814 237 E CB 0.079 29.812 29.700 0.055 0.000 0.752 237 E HN 0.246 nan 8.360 nan 0.000 0.466 238 S N 0.415 116.042 115.700 -0.123 0.000 2.399 238 S HA -0.129 4.340 4.470 -0.000 0.000 0.231 238 S C 2.081 176.633 174.600 -0.081 0.000 1.022 238 S CA 0.843 59.002 58.200 -0.068 0.000 0.983 238 S CB -0.513 62.655 63.200 -0.054 0.000 0.803 238 S HN 0.266 nan 8.310 nan 0.000 0.480 239 I N 0.233 120.701 120.570 -0.170 0.000 2.202 239 I HA -0.142 4.028 4.170 -0.000 0.000 0.242 239 I C 2.416 178.520 176.117 -0.022 0.000 1.091 239 I CA 1.360 62.576 61.300 -0.141 0.000 1.368 239 I CB -0.605 37.266 38.000 -0.214 0.000 1.058 239 I HN 0.197 nan 8.210 nan 0.000 0.410 240 Y N 1.338 121.627 120.300 -0.018 0.000 2.114 240 Y HA -0.276 4.274 4.550 -0.000 0.000 0.282 240 Y C 2.719 178.617 175.900 -0.003 0.000 1.165 240 Y CA 0.866 58.960 58.100 -0.010 0.000 1.148 240 Y CB -1.240 37.227 38.460 0.013 0.000 0.972 240 Y HN 0.268 nan 8.280 nan 0.000 0.504 241 Q N -1.194 118.700 119.800 0.156 0.000 2.364 241 Q HA -0.131 4.209 4.340 -0.000 0.000 0.209 241 Q C 2.363 178.394 176.000 0.051 0.000 0.977 241 Q CA 1.024 56.880 55.803 0.089 0.000 0.885 241 Q CB -0.886 27.888 28.738 0.060 0.000 0.941 241 Q HN 0.531 nan 8.270 nan 0.000 0.464 242 C N 0.170 119.492 119.300 0.038 0.000 2.432 242 C HA -0.041 4.418 4.460 -0.000 0.000 0.280 242 C C 1.564 176.567 174.990 0.022 0.000 1.353 242 C CA -0.695 58.333 59.018 0.018 0.000 1.766 242 C CB -0.694 27.046 27.740 -0.000 0.000 1.924 242 C HN 0.409 nan 8.230 nan 0.000 0.509 243 C N 2.116 121.439 119.300 0.037 0.000 2.703 243 C HA 0.090 4.550 4.460 -0.000 0.000 0.411 243 C C 0.629 175.634 174.990 0.025 0.000 1.290 243 C CA -0.302 58.733 59.018 0.028 0.000 2.054 243 C CB -0.316 27.445 27.740 0.035 0.000 2.732 243 C HN 0.506 nan 8.230 nan 0.000 0.650 244 D N 2.231 122.641 120.400 0.016 0.000 2.342 244 D HA 0.350 4.989 4.640 -0.000 0.000 0.260 244 D C -0.550 175.764 176.300 0.023 0.000 1.278 244 D CA 0.480 54.490 54.000 0.017 0.000 0.910 244 D CB 0.057 40.863 40.800 0.011 0.000 1.079 244 D HN 0.394 nan 8.370 nan 0.000 0.496 245 L N 2.036 123.277 121.223 0.030 0.000 2.333 245 L HA 0.625 4.965 4.340 -0.000 0.000 0.263 245 L C 0.365 177.260 176.870 0.041 0.000 1.014 245 L CA -1.399 53.464 54.840 0.039 0.000 0.820 245 L CB 1.802 43.890 42.059 0.048 0.000 1.352 245 L HN 0.304 nan 8.230 nan 0.000 0.421 246 A N 1.614 124.464 122.820 0.051 0.000 2.462 246 A HA 0.370 4.690 4.320 -0.000 0.000 0.243 246 A C -1.838 175.782 177.584 0.060 0.000 1.076 246 A CA -0.913 51.157 52.037 0.056 0.000 0.773 246 A CB -0.069 18.972 19.000 0.069 0.000 1.010 246 A HN 0.621 nan 8.150 nan 0.000 0.493 247 P HA -0.173 nan 4.420 nan 0.000 0.217 247 P C 1.181 178.510 177.300 0.048 0.000 1.148 247 P CA 1.437 64.562 63.100 0.041 0.000 0.828 247 P CB 0.196 31.915 31.700 0.032 0.000 0.783 248 E N -0.622 119.629 120.200 0.085 0.000 2.085 248 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 248 E C 2.035 178.716 176.600 0.134 0.000 0.994 248 E CA 1.335 57.813 56.400 0.130 0.000 0.801 248 E CB -0.452 29.402 29.700 0.256 0.000 0.743 248 E HN 0.156 nan 8.360 nan 0.000 0.453 249 A N 1.407 124.322 122.820 0.159 0.000 1.898 249 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 249 A C 2.052 179.679 177.584 0.072 0.000 1.181 249 A CA 1.160 53.290 52.037 0.155 0.000 0.620 249 A CB -0.362 18.720 19.000 0.136 0.000 0.819 249 A HN 0.109 nan 8.150 nan 0.000 0.442 250 R N -0.982 119.548 120.500 0.051 0.000 2.081 250 R HA -0.188 4.152 4.340 -0.000 0.000 0.235 250 R C 2.477 178.776 176.300 -0.001 0.000 1.131 250 R CA 1.700 57.820 56.100 0.034 0.000 0.960 250 R CB -0.333 29.985 30.300 0.030 0.000 0.856 250 R HN 0.660 nan 8.270 nan 0.000 0.436 251 Q N 0.881 120.660 119.800 -0.034 0.000 2.079 251 Q HA -0.076 4.264 4.340 -0.000 0.000 0.200 251 Q C 1.986 177.897 176.000 -0.147 0.000 0.974 251 Q CA 1.912 57.664 55.803 -0.085 0.000 0.840 251 Q CB -0.201 28.474 28.738 -0.104 0.000 0.898 251 Q HN 0.335 nan 8.270 nan 0.000 0.430 252 A N 0.128 122.820 122.820 -0.213 0.000 1.933 252 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 252 A C 2.089 179.590 177.584 -0.139 0.000 1.175 252 A CA 1.461 53.306 52.037 -0.320 0.000 0.628 252 A CB -0.687 17.993 19.000 -0.533 0.000 0.814 252 A HN 0.495 nan 8.150 nan 0.000 0.444 253 I N -0.648 119.905 120.570 -0.029 0.000 2.252 253 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 253 I C 2.496 178.648 176.117 0.058 0.000 1.102 253 I CA 1.730 63.068 61.300 0.063 0.000 1.385 253 I CB -0.219 37.852 38.000 0.118 0.000 1.064 253 I HN 0.388 nan 8.210 nan 0.000 0.414 254 K N 0.959 121.368 120.400 0.015 0.000 2.002 254 K HA -0.173 4.147 4.320 -0.000 0.000 0.209 254 K C 2.289 178.864 176.600 -0.042 0.000 1.048 254 K CA 1.906 58.196 56.287 0.004 0.000 0.930 254 K CB -0.042 32.451 32.500 -0.011 0.000 0.714 254 K HN 0.102 nan 8.250 nan 0.000 0.438 255 S N 1.299 116.942 115.700 -0.095 0.000 2.353 255 S HA -0.151 4.319 4.470 -0.000 0.000 0.222 255 S C 1.894 176.392 174.600 -0.171 0.000 1.035 255 S CA 1.619 59.740 58.200 -0.132 0.000 1.025 255 S CB -0.368 62.724 63.200 -0.180 0.000 0.902 255 S HN 0.275 nan 8.310 nan 0.000 0.440 256 L N 0.883 121.967 121.223 -0.231 0.000 2.079 256 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 256 L C 2.678 179.232 176.870 -0.527 0.000 1.081 256 L CA 1.226 55.791 54.840 -0.458 0.000 0.752 256 L CB -1.099 40.633 42.059 -0.544 0.000 0.896 256 L HN 0.333 nan 8.230 nan 0.000 0.433 257 T N -0.963 113.496 114.554 -0.158 0.000 2.674 257 T HA -0.158 4.192 4.350 -0.000 0.000 0.265 257 T C 1.795 176.495 174.700 -0.000 0.000 1.039 257 T CA 1.250 63.389 62.100 0.065 0.000 1.150 257 T CB -0.109 68.859 68.868 0.167 0.000 0.864 257 T HN 0.308 nan 8.240 nan 0.000 0.427 258 E N 0.923 121.104 120.200 -0.032 0.000 2.150 258 E HA -0.040 4.310 4.350 -0.000 0.000 0.193 258 E C 2.342 178.917 176.600 -0.041 0.000 0.985 258 E CA 0.966 57.351 56.400 -0.025 0.000 0.814 258 E CB -0.083 29.599 29.700 -0.029 0.000 0.752 258 E HN 0.460 nan 8.360 nan 0.000 0.466 259 R N -0.732 119.714 120.500 -0.090 0.000 2.195 259 R HA 0.124 4.464 4.340 -0.000 0.000 0.197 259 R C 1.919 178.152 176.300 -0.110 0.000 0.990 259 R CA 0.204 56.251 56.100 -0.089 0.000 1.048 259 R CB 0.247 30.484 30.300 -0.106 0.000 0.997 259 R HN 0.030 nan 8.270 nan 0.000 0.502 260 L N -1.772 119.341 121.223 -0.183 0.000 2.666 260 L HA 0.200 4.540 4.340 -0.000 0.000 0.184 260 L C 1.405 178.256 176.870 -0.032 0.000 1.092 260 L CA 0.903 55.640 54.840 -0.173 0.000 0.857 260 L CB -0.329 41.541 42.059 -0.315 0.000 1.281 260 L HN -0.109 nan 8.230 nan 0.000 0.489 261 Y N 0.386 120.693 120.300 0.012 0.000 2.145 261 Y HA -0.083 4.467 4.550 -0.000 0.000 0.286 261 Y C 2.586 178.483 175.900 -0.005 0.000 1.145 261 Y CA 1.490 59.604 58.100 0.023 0.000 1.148 261 Y CB -0.926 37.572 38.460 0.064 0.000 0.981 261 Y HN 0.124 nan 8.280 nan 0.000 0.507 262 I N -0.979 119.671 120.570 0.134 0.000 2.394 262 I HA -0.058 4.112 4.170 -0.000 0.000 0.251 262 I C 1.225 177.339 176.117 -0.005 0.000 1.136 262 I CA 1.365 62.697 61.300 0.054 0.000 1.425 262 I CB -0.337 37.688 38.000 0.042 0.000 1.079 262 I HN 0.313 nan 8.210 nan 0.000 0.425 263 G N -1.134 107.643 108.800 -0.037 0.000 2.324 263 G HA2 0.476 4.436 3.960 -0.000 0.000 0.293 263 G HA3 0.476 4.436 3.960 -0.000 0.000 0.293 263 G C -0.968 173.778 174.900 -0.257 0.000 1.297 263 G CA -0.204 44.800 45.100 -0.160 0.000 0.853 263 G HN 0.426 nan 8.290 nan 0.000 0.535 264 G N -1.009 107.384 108.800 -0.677 0.000 2.321 264 G HA2 0.682 4.642 3.960 -0.000 0.000 0.298 264 G HA3 0.682 4.642 3.960 -0.000 0.000 0.298 264 G C -3.481 170.835 174.900 -0.973 0.000 1.385 264 G CA 0.127 44.824 45.100 -0.671 0.000 0.856 264 G HN 0.799 nan 8.290 nan 0.000 0.584 265 P HA 0.481 nan 4.420 nan 0.000 0.275 265 P C -0.573 176.641 177.300 -0.144 0.000 1.228 265 P CA -0.189 62.801 63.100 -0.183 0.000 0.786 265 P CB 1.177 32.890 31.700 0.023 0.000 0.927 266 L N 2.189 123.374 121.223 -0.063 0.000 2.305 266 L HA 0.446 4.785 4.340 -0.000 0.000 0.284 266 L C 0.401 177.283 176.870 0.020 0.000 1.013 266 L CA -0.212 54.619 54.840 -0.015 0.000 0.819 266 L CB 1.629 43.722 42.059 0.057 0.000 1.227 266 L HN 0.261 nan 8.230 nan 0.000 0.417 267 T N 1.385 115.927 114.554 -0.019 0.000 2.807 267 T HA 0.341 4.691 4.350 -0.000 0.000 0.279 267 T C -0.158 174.525 174.700 -0.028 0.000 0.993 267 T CA -0.832 61.257 62.100 -0.018 0.000 0.970 267 T CB 1.465 70.308 68.868 -0.043 0.000 0.950 267 T HN 0.641 nan 8.240 nan 0.000 0.441 268 N N 0.730 119.429 118.700 -0.002 0.000 2.364 268 N HA 0.125 4.865 4.740 -0.000 0.000 0.264 268 N C 1.499 176.999 175.510 -0.017 0.000 1.263 268 N CA -0.230 52.818 53.050 -0.002 0.000 0.959 268 N CB 0.160 38.656 38.487 0.015 0.000 1.204 268 N HN 0.451 nan 8.380 nan 0.000 0.550 269 S N -0.940 114.759 115.700 -0.001 0.000 2.440 269 S HA -0.139 4.331 4.470 -0.000 0.000 0.238 269 S C 1.059 175.656 174.600 -0.005 0.000 1.010 269 S CA 0.807 59.009 58.200 0.004 0.000 0.972 269 S CB -0.437 62.779 63.200 0.027 0.000 0.774 269 S HN 0.629 nan 8.310 nan 0.000 0.501 270 K N 0.520 120.918 120.400 -0.004 0.000 2.404 270 K HA 0.239 4.559 4.320 -0.000 0.000 0.194 270 K C 1.162 177.754 176.600 -0.013 0.000 1.023 270 K CA 0.401 56.684 56.287 -0.006 0.000 1.094 270 K CB -0.059 32.441 32.500 0.000 0.000 0.841 270 K HN 0.575 nan 8.250 nan 0.000 0.523 271 G N 2.061 110.850 108.800 -0.019 0.000 2.136 271 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.242 271 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.242 271 G C -0.298 174.597 174.900 -0.009 0.000 0.989 271 G CA -0.026 45.059 45.100 -0.024 0.000 0.682 271 G HN 0.358 nan 8.290 nan 0.000 0.522 272 Q N -0.082 119.720 119.800 0.003 0.000 2.222 272 Q HA 0.366 4.705 4.340 -0.000 0.000 0.252 272 Q C 0.295 176.313 176.000 0.030 0.000 0.926 272 Q CA -0.694 55.119 55.803 0.017 0.000 0.899 272 Q CB 1.163 29.913 28.738 0.020 0.000 1.250 272 Q HN 0.369 nan 8.270 nan 0.000 0.441 273 N N 1.260 119.985 118.700 0.041 0.000 2.431 273 N HA 0.011 4.751 4.740 -0.000 0.000 0.265 273 N C -0.233 175.333 175.510 0.095 0.000 1.184 273 N CA -0.352 52.735 53.050 0.062 0.000 0.943 273 N CB 0.559 39.083 38.487 0.062 0.000 1.080 273 N HN 0.611 nan 8.380 nan 0.000 0.477 274 C N 2.874 122.251 119.300 0.128 0.000 2.590 274 C HA 0.398 4.858 4.460 -0.000 0.000 0.272 274 C C 1.273 176.450 174.990 0.311 0.000 1.338 274 C CA 0.495 59.647 59.018 0.223 0.000 1.746 274 C CB -0.963 26.934 27.740 0.262 0.000 2.020 274 C HN 0.978 nan 8.230 nan 0.000 0.531 275 G N -1.310 107.601 108.800 0.184 0.000 2.366 275 G HA2 0.226 4.186 3.960 -0.000 0.000 0.190 275 G HA3 0.226 4.186 3.960 -0.000 0.000 0.190 275 G C -2.010 172.933 174.900 0.072 0.000 1.299 275 G CA -0.395 44.772 45.100 0.110 0.000 1.056 275 G HN 0.038 nan 8.290 nan 0.000 0.468 276 Y N 0.861 121.042 120.300 -0.198 0.000 2.457 276 Y HA 0.760 5.310 4.550 -0.000 0.000 0.343 276 Y C 0.027 175.779 175.900 -0.246 0.000 0.994 276 Y CA -0.818 57.178 58.100 -0.173 0.000 1.031 276 Y CB 2.004 40.380 38.460 -0.141 0.000 1.246 276 Y HN 0.694 nan 8.280 nan 0.000 0.449 277 R N 4.681 124.890 120.500 -0.486 0.000 2.460 277 R HA 0.543 4.883 4.340 -0.000 0.000 0.303 277 R C -0.706 175.367 176.300 -0.379 0.000 0.968 277 R CA -0.579 55.234 56.100 -0.477 0.000 0.889 277 R CB 0.944 31.021 30.300 -0.370 0.000 1.123 277 R HN 0.917 nan 8.270 nan 0.000 0.455 278 R N 3.061 123.336 120.500 -0.375 0.000 2.659 278 R HA 0.212 4.552 4.340 -0.000 0.000 0.418 278 R C -0.496 175.654 176.300 -0.250 0.000 1.076 278 R CA -0.287 55.690 56.100 -0.206 0.000 1.093 278 R CB 0.433 30.662 30.300 -0.118 0.000 1.400 278 R HN 0.773 nan 8.270 nan 0.000 0.583 279 C N -1.919 117.182 119.300 -0.331 0.000 3.321 279 C HA 0.615 5.074 4.460 -0.000 0.000 0.363 279 C C -0.290 174.611 174.990 -0.149 0.000 1.705 279 C CA -1.549 57.314 59.018 -0.258 0.000 1.298 279 C CB 1.220 28.741 27.740 -0.365 0.000 2.086 279 C HN 0.319 nan 8.230 nan 0.000 0.438 280 R N 1.227 121.687 120.500 -0.065 0.000 2.484 280 R HA 0.479 4.819 4.340 -0.000 0.000 0.293 280 R C 0.113 176.450 176.300 0.061 0.000 1.023 280 R CA 0.938 57.054 56.100 0.027 0.000 1.037 280 R CB -0.126 30.226 30.300 0.086 0.000 0.951 280 R HN 1.181 nan 8.270 nan 0.000 0.418 281 A N 3.548 126.421 122.820 0.090 0.000 2.366 281 A HA 0.224 4.544 4.320 -0.000 0.000 0.272 281 A C 1.068 178.744 177.584 0.154 0.000 1.135 281 A CA 0.105 52.223 52.037 0.134 0.000 0.804 281 A CB 0.471 19.559 19.000 0.147 0.000 1.064 281 A HN 1.026 nan 8.150 nan 0.000 0.499 282 S N 2.076 117.885 115.700 0.181 0.000 2.453 282 S HA 0.039 4.509 4.470 -0.000 0.000 0.231 282 S C 1.112 175.807 174.600 0.158 0.000 1.005 282 S CA 0.904 59.207 58.200 0.171 0.000 0.949 282 S CB -0.038 63.272 63.200 0.183 0.000 0.774 282 S HN 1.299 nan 8.310 nan 0.000 0.510 283 G N 1.879 110.797 108.800 0.197 0.000 4.291 283 G HA2 0.522 4.482 3.960 -0.000 0.000 0.304 283 G HA3 0.522 4.482 3.960 -0.000 0.000 0.304 283 G C -0.166 174.858 174.900 0.208 0.000 1.264 283 G CA -0.039 45.182 45.100 0.200 0.000 1.039 283 G HN 0.635 nan 8.290 nan 0.000 0.578 284 V N -2.400 117.617 119.914 0.172 0.000 3.046 284 V HA 0.598 4.718 4.120 -0.000 0.000 0.316 284 V C 1.318 177.479 176.094 0.111 0.000 1.104 284 V CA -0.956 61.460 62.300 0.194 0.000 1.006 284 V CB 1.781 33.790 31.823 0.310 0.000 1.058 284 V HN 0.068 nan 8.190 nan 0.000 0.440 285 L N 2.536 123.838 121.223 0.131 0.000 2.083 285 L HA -0.028 4.312 4.340 -0.000 0.000 0.209 285 L C 2.295 179.158 176.870 -0.012 0.000 1.083 285 L CA 3.059 57.955 54.840 0.092 0.000 0.752 285 L CB -0.769 41.376 42.059 0.143 0.000 0.899 285 L HN 1.090 nan 8.230 nan 0.000 0.433 286 T N -5.662 108.795 114.554 -0.161 0.000 3.194 286 T HA -0.006 4.344 4.350 -0.000 0.000 0.251 286 T C 1.540 176.162 174.700 -0.130 0.000 1.132 286 T CA 0.760 62.720 62.100 -0.233 0.000 1.028 286 T CB -0.771 67.793 68.868 -0.508 0.000 0.976 286 T HN 0.282 nan 8.240 nan 0.000 0.535 287 T N 1.810 116.323 114.554 -0.069 0.000 2.708 287 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 287 T C 2.218 176.938 174.700 0.033 0.000 1.037 287 T CA 1.649 63.754 62.100 0.008 0.000 1.146 287 T CB -0.517 68.382 68.868 0.053 0.000 0.865 287 T HN 0.560 nan 8.240 nan 0.000 0.435 288 S N -0.100 115.591 115.700 -0.016 0.000 2.338 288 S HA -0.140 4.330 4.470 -0.000 0.000 0.218 288 S C 2.462 177.081 174.600 0.030 0.000 1.032 288 S CA 1.364 59.544 58.200 -0.032 0.000 0.999 288 S CB -0.995 62.067 63.200 -0.231 0.000 0.905 288 S HN 0.658 nan 8.310 nan 0.000 0.439 289 C N 1.407 120.692 119.300 -0.026 0.000 2.413 289 C HA 0.051 4.511 4.460 -0.000 0.000 0.276 289 C C 2.835 177.871 174.990 0.077 0.000 1.236 289 C CA 1.277 60.301 59.018 0.010 0.000 1.735 289 C CB -1.839 25.872 27.740 -0.048 0.000 2.031 289 C HN 0.732 nan 8.230 nan 0.000 0.474 290 G N 0.238 109.091 108.800 0.090 0.000 2.418 290 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 290 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 290 G C 1.518 176.508 174.900 0.150 0.000 1.158 290 G CA 1.024 46.184 45.100 0.101 0.000 0.771 290 G HN 0.589 nan 8.290 nan 0.000 0.545 291 N N 0.454 119.262 118.700 0.181 0.000 2.104 291 N HA -0.084 4.656 4.740 -0.000 0.000 0.190 291 N C 2.411 178.006 175.510 0.141 0.000 1.024 291 N CA 1.667 54.869 53.050 0.253 0.000 0.853 291 N CB -0.663 37.915 38.487 0.151 0.000 1.008 291 N HN 0.261 nan 8.380 nan 0.000 0.424 292 T N 1.637 116.268 114.554 0.130 0.000 2.701 292 T HA 0.004 4.353 4.350 -0.000 0.000 0.263 292 T C 2.148 176.934 174.700 0.143 0.000 1.040 292 T CA 0.668 62.852 62.100 0.140 0.000 1.147 292 T CB -0.357 68.659 68.868 0.248 0.000 0.865 292 T HN 0.118 nan 8.240 nan 0.000 0.426 293 L N 0.740 122.021 121.223 0.096 0.000 2.012 293 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 293 L C 2.962 179.919 176.870 0.145 0.000 1.073 293 L CA 1.415 56.294 54.840 0.066 0.000 0.748 293 L CB -1.190 40.863 42.059 -0.009 0.000 0.891 293 L HN 0.296 nan 8.230 nan 0.000 0.431 294 T N -1.377 113.282 114.554 0.176 0.000 2.737 294 T HA -0.230 4.120 4.350 -0.000 0.000 0.265 294 T C 2.025 176.914 174.700 0.316 0.000 1.038 294 T CA 1.465 63.700 62.100 0.225 0.000 1.144 294 T CB -0.485 68.545 68.868 0.270 0.000 0.866 294 T HN 0.455 nan 8.240 nan 0.000 0.434 295 C N 0.685 120.222 119.300 0.396 0.000 2.432 295 C HA -0.108 4.352 4.460 -0.000 0.000 0.277 295 C C 2.413 177.543 174.990 0.234 0.000 1.249 295 C CA 0.623 59.843 59.018 0.336 0.000 1.725 295 C CB -1.405 26.377 27.740 0.069 0.000 2.028 295 C HN 0.656 nan 8.230 nan 0.000 0.477 296 Y N 0.934 121.284 120.300 0.084 0.000 2.224 296 Y HA -0.109 4.441 4.550 -0.000 0.000 0.289 296 Y C 2.126 178.037 175.900 0.018 0.000 1.146 296 Y CA 2.038 60.167 58.100 0.049 0.000 1.182 296 Y CB -0.513 37.964 38.460 0.027 0.000 0.983 296 Y HN 0.353 nan 8.280 nan 0.000 0.524 297 L N 0.941 122.240 121.223 0.127 0.000 2.005 297 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 297 L C 2.148 178.927 176.870 -0.153 0.000 1.072 297 L CA 1.944 56.744 54.840 -0.067 0.000 0.744 297 L CB -0.914 41.072 42.059 -0.122 0.000 0.895 297 L HN 0.110 nan 8.230 nan 0.000 0.433 298 K N -0.274 120.099 120.400 -0.045 0.000 2.009 298 K HA -0.136 4.183 4.320 -0.000 0.000 0.210 298 K C 2.110 178.706 176.600 -0.007 0.000 1.049 298 K CA 1.531 57.803 56.287 -0.025 0.000 0.929 298 K CB -0.563 32.021 32.500 0.140 0.000 0.714 298 K HN 0.494 nan 8.250 nan 0.000 0.440 299 A N 1.347 124.161 122.820 -0.010 0.000 1.883 299 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 299 A C 2.278 179.866 177.584 0.007 0.000 1.186 299 A CA 2.156 54.205 52.037 0.020 0.000 0.624 299 A CB -0.675 18.419 19.000 0.157 0.000 0.822 299 A HN 0.228 nan 8.150 nan 0.000 0.444 300 S N -0.039 115.554 115.700 -0.178 0.000 2.356 300 S HA -0.034 4.436 4.470 -0.000 0.000 0.223 300 S C 2.315 176.850 174.600 -0.110 0.000 1.032 300 S CA 1.225 59.287 58.200 -0.230 0.000 1.005 300 S CB -0.544 62.356 63.200 -0.499 0.000 0.867 300 S HN 0.822 nan 8.310 nan 0.000 0.449 301 A N 1.598 124.365 122.820 -0.088 0.000 1.933 301 A HA 0.140 4.460 4.320 -0.000 0.000 0.218 301 A C 2.342 179.969 177.584 0.072 0.000 1.175 301 A CA 1.640 53.688 52.037 0.020 0.000 0.628 301 A CB -1.029 17.987 19.000 0.025 0.000 0.814 301 A HN 0.520 nan 8.150 nan 0.000 0.444 302 A N -1.233 121.623 122.820 0.060 0.000 2.015 302 A HA -0.118 4.201 4.320 -0.000 0.000 0.219 302 A C 2.227 179.796 177.584 -0.024 0.000 1.163 302 A CA 1.537 53.473 52.037 -0.168 0.000 0.646 302 A CB -1.121 17.419 19.000 -0.767 0.000 0.806 302 A HN 0.589 nan 8.150 nan 0.000 0.448 303 C N -0.862 118.533 119.300 0.159 0.000 2.446 303 C HA -0.054 4.406 4.460 -0.000 0.000 0.277 303 C C 2.861 177.861 174.990 0.015 0.000 1.275 303 C CA 0.921 60.076 59.018 0.228 0.000 1.727 303 C CB -1.198 26.643 27.740 0.168 0.000 2.010 303 C HN 0.607 nan 8.230 nan 0.000 0.486 304 R N 1.255 121.672 120.500 -0.138 0.000 2.073 304 R HA -0.120 4.220 4.340 -0.000 0.000 0.234 304 R C 2.439 178.452 176.300 -0.478 0.000 1.134 304 R CA 1.670 57.550 56.100 -0.368 0.000 0.952 304 R CB -0.690 29.247 30.300 -0.606 0.000 0.850 304 R HN 0.535 nan 8.270 nan 0.000 0.433 305 A N 1.468 124.030 122.820 -0.431 0.000 1.917 305 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 305 A C 2.323 179.885 177.584 -0.037 0.000 1.182 305 A CA 1.925 53.878 52.037 -0.140 0.000 0.633 305 A CB -0.579 18.402 19.000 -0.032 0.000 0.819 305 A HN 0.427 nan 8.150 nan 0.000 0.448 306 A N -1.771 121.046 122.820 -0.005 0.000 2.167 306 A HA 0.198 4.518 4.320 -0.000 0.000 0.214 306 A C 1.142 178.747 177.584 0.034 0.000 1.151 306 A CA 1.052 53.119 52.037 0.050 0.000 0.735 306 A CB -0.351 18.739 19.000 0.150 0.000 0.802 306 A HN 0.521 nan 8.150 nan 0.000 0.467 307 K N -1.291 119.115 120.400 0.009 0.000 3.160 307 K HA -0.158 4.162 4.320 -0.000 0.000 0.280 307 K C -0.742 175.869 176.600 0.019 0.000 1.154 307 K CA 0.490 56.783 56.287 0.010 0.000 0.822 307 K CB -2.118 30.392 32.500 0.017 0.000 1.239 307 K HN 0.548 nan 8.250 nan 0.000 0.489 308 L N 1.222 122.466 121.223 0.036 0.000 2.490 308 L HA 0.003 4.343 4.340 -0.000 0.000 0.274 308 L C 0.819 177.698 176.870 0.015 0.000 1.201 308 L CA 0.242 55.104 54.840 0.037 0.000 0.869 308 L CB 0.194 42.296 42.059 0.072 0.000 1.123 308 L HN 0.126 nan 8.230 nan 0.000 0.484 309 Q N 1.864 121.665 119.800 0.002 0.000 2.278 309 Q HA 0.127 4.467 4.340 -0.000 0.000 0.257 309 Q C -0.267 175.719 176.000 -0.025 0.000 0.928 309 Q CA -0.166 55.631 55.803 -0.010 0.000 0.932 309 Q CB 0.949 29.679 28.738 -0.014 0.000 1.221 309 Q HN 0.468 nan 8.270 nan 0.000 0.434 310 D N 1.555 121.941 120.400 -0.023 0.000 2.689 310 D HA -0.188 4.452 4.640 -0.000 0.000 0.237 310 D C -1.069 175.206 176.300 -0.043 0.000 1.148 310 D CA 0.661 54.641 54.000 -0.033 0.000 0.656 310 D CB -0.965 39.806 40.800 -0.049 0.000 1.050 310 D HN 0.589 nan 8.370 nan 0.000 0.426 311 C N 0.139 119.422 119.300 -0.029 0.000 2.442 311 C HA 0.679 5.139 4.460 -0.000 0.000 0.362 311 C C 0.800 175.769 174.990 -0.035 0.000 1.242 311 C CA -0.815 58.177 59.018 -0.042 0.000 1.741 311 C CB -0.127 27.600 27.740 -0.022 0.000 2.378 311 C HN 0.374 nan 8.230 nan 0.000 0.549 312 T N 6.176 120.701 114.554 -0.049 0.000 2.806 312 T HA 0.476 4.826 4.350 -0.000 0.000 0.290 312 T C -0.125 174.575 174.700 -0.001 0.000 0.966 312 T CA 0.015 62.115 62.100 0.001 0.000 1.060 312 T CB 0.938 69.787 68.868 -0.032 0.000 0.927 312 T HN 0.781 nan 8.240 nan 0.000 0.485 313 M N 3.064 122.710 119.600 0.076 0.000 2.537 313 M HA 0.614 5.094 4.480 -0.000 0.000 0.324 313 M C -1.172 175.241 176.300 0.187 0.000 1.187 313 M CA -0.894 54.450 55.300 0.073 0.000 0.993 313 M CB 1.667 34.295 32.600 0.047 0.000 1.666 313 M HN 0.376 nan 8.290 nan 0.000 0.461 314 L N 3.434 124.732 121.223 0.125 0.000 2.404 314 L HA 0.721 5.061 4.340 -0.000 0.000 0.272 314 L C -1.671 175.207 176.870 0.013 0.000 0.980 314 L CA -0.450 54.466 54.840 0.126 0.000 0.836 314 L CB 1.828 43.998 42.059 0.185 0.000 1.238 314 L HN 0.469 nan 8.230 nan 0.000 0.408 315 V N 4.585 124.479 119.914 -0.033 0.000 2.531 315 V HA 0.569 4.688 4.120 -0.000 0.000 0.301 315 V C -0.566 175.341 176.094 -0.311 0.000 1.034 315 V CA -0.740 61.512 62.300 -0.080 0.000 0.865 315 V CB 1.953 33.824 31.823 0.080 0.000 0.995 315 V HN 0.755 nan 8.190 nan 0.000 0.424 316 N N 3.918 122.363 118.700 -0.424 0.000 2.623 316 N HA 0.446 5.186 4.740 -0.000 0.000 0.256 316 N C 0.704 176.060 175.510 -0.256 0.000 1.045 316 N CA 0.400 52.921 53.050 -0.882 0.000 0.863 316 N CB 2.142 39.910 38.487 -1.199 0.000 1.182 316 N HN 1.024 nan 8.380 nan 0.000 0.523 317 G N 3.541 112.399 108.800 0.098 0.000 2.629 317 G HA2 -0.412 3.547 3.960 -0.000 0.000 0.313 317 G HA3 -0.412 3.547 3.960 -0.000 0.000 0.313 317 G C 0.575 175.351 174.900 -0.208 0.000 1.217 317 G CA 1.071 46.220 45.100 0.082 0.000 0.994 317 G HN 0.644 nan 8.290 nan 0.000 0.549 318 D N 1.147 121.351 120.400 -0.326 0.000 2.340 318 D HA 0.122 4.762 4.640 -0.000 0.000 0.220 318 D C 0.510 176.638 176.300 -0.287 0.000 1.039 318 D CA 0.880 54.471 54.000 -0.682 0.000 0.866 318 D CB -0.087 40.359 40.800 -0.591 0.000 0.913 318 D HN 0.407 nan 8.370 nan 0.000 0.523 319 D N 0.547 120.857 120.400 -0.151 0.000 2.280 319 D HA 0.297 4.937 4.640 -0.000 0.000 0.243 319 D C -1.048 175.216 176.300 -0.061 0.000 1.129 319 D CA -0.556 53.401 54.000 -0.071 0.000 0.848 319 D CB 1.077 41.836 40.800 -0.068 0.000 1.107 319 D HN 0.029 nan 8.370 nan 0.000 0.471 320 L N 5.246 126.478 121.223 0.016 0.000 2.409 320 L HA 0.496 4.836 4.340 -0.000 0.000 0.272 320 L C -1.683 175.190 176.870 0.005 0.000 0.980 320 L CA -0.731 54.133 54.840 0.041 0.000 0.826 320 L CB 1.851 44.006 42.059 0.159 0.000 1.268 320 L HN 0.145 nan 8.230 nan 0.000 0.407 321 V N 6.013 125.888 119.914 -0.065 0.000 2.656 321 V HA 0.785 4.905 4.120 -0.000 0.000 0.307 321 V C -1.373 174.559 176.094 -0.271 0.000 1.051 321 V CA -0.383 61.819 62.300 -0.163 0.000 0.893 321 V CB 2.394 34.154 31.823 -0.105 0.000 0.999 321 V HN 0.562 nan 8.190 nan 0.000 0.426 322 V N 7.715 127.276 119.914 -0.588 0.000 2.487 322 V HA 0.586 4.706 4.120 -0.000 0.000 0.298 322 V C -0.334 175.461 176.094 -0.498 0.000 1.028 322 V CA -0.440 61.462 62.300 -0.664 0.000 0.860 322 V CB 1.640 32.713 31.823 -1.250 0.000 0.991 322 V HN 0.740 nan 8.190 nan 0.000 0.427 323 I N 5.145 125.568 120.570 -0.246 0.000 2.436 323 I HA 0.681 4.851 4.170 -0.000 0.000 0.289 323 I C 0.021 176.050 176.117 -0.147 0.000 1.010 323 I CA -0.285 60.935 61.300 -0.134 0.000 1.098 323 I CB 1.652 39.626 38.000 -0.044 0.000 1.266 323 I HN 0.901 nan 8.210 nan 0.000 0.434 324 C N 2.520 121.733 119.300 -0.144 0.000 3.321 324 C HA 0.587 5.047 4.460 -0.000 0.000 0.363 324 C C -0.555 174.344 174.990 -0.152 0.000 1.705 324 C CA -0.904 58.043 59.018 -0.118 0.000 1.298 324 C CB 1.777 29.486 27.740 -0.051 0.000 2.086 324 C HN 0.605 nan 8.230 nan 0.000 0.438 325 E N 1.778 121.915 120.200 -0.106 0.000 2.259 325 E HA 0.292 4.642 4.350 -0.000 0.000 0.281 325 E C -0.021 176.546 176.600 -0.054 0.000 1.037 325 E CA 0.450 56.790 56.400 -0.101 0.000 0.854 325 E CB 1.683 31.340 29.700 -0.073 0.000 1.051 325 E HN 0.697 nan 8.360 nan 0.000 0.409 326 S N 1.768 117.444 115.700 -0.040 0.000 2.562 326 S HA 0.238 4.707 4.470 -0.000 0.000 0.281 326 S C 0.399 175.014 174.600 0.026 0.000 1.333 326 S CA -0.014 58.213 58.200 0.044 0.000 1.052 326 S CB 0.480 63.767 63.200 0.145 0.000 0.884 326 S HN 0.525 nan 8.310 nan 0.000 0.506 327 A N 3.707 126.551 122.820 0.040 0.000 2.630 327 A HA 0.649 4.969 4.320 -0.000 0.000 0.290 327 A C 0.868 178.465 177.584 0.021 0.000 1.267 327 A CA 0.138 52.188 52.037 0.020 0.000 0.950 327 A CB -0.972 18.038 19.000 0.016 0.000 1.144 327 A HN 1.898 nan 8.150 nan 0.000 0.527 328 G N -1.367 107.449 108.800 0.028 0.000 2.692 328 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.686 328 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.686 328 G C 0.609 175.525 174.900 0.026 0.000 1.243 328 G CA 0.186 45.286 45.100 0.000 0.000 0.782 328 G HN 0.881 nan 8.290 nan 0.000 0.625 329 T N -0.614 113.922 114.554 -0.031 0.000 2.759 329 T HA -0.203 4.147 4.350 -0.000 0.000 0.269 329 T C 2.162 176.893 174.700 0.051 0.000 1.042 329 T CA 2.897 64.998 62.100 0.001 0.000 1.140 329 T CB -0.147 68.666 68.868 -0.091 0.000 0.864 329 T HN 0.711 nan 8.240 nan 0.000 0.455 330 Q N -0.553 119.259 119.800 0.020 0.000 2.123 330 Q HA 0.015 4.355 4.340 -0.000 0.000 0.196 330 Q C 2.310 178.323 176.000 0.021 0.000 0.958 330 Q CA 1.006 56.820 55.803 0.018 0.000 0.841 330 Q CB 0.108 28.849 28.738 0.005 0.000 0.915 330 Q HN 0.470 nan 8.270 nan 0.000 0.455 331 E N 0.466 120.679 120.200 0.021 0.000 2.216 331 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 331 E C 1.249 177.862 176.600 0.022 0.000 0.988 331 E CA 0.707 57.117 56.400 0.018 0.000 0.834 331 E CB 0.138 29.846 29.700 0.014 0.000 0.772 331 E HN 0.431 nan 8.360 nan 0.000 0.479 332 D N 0.982 121.408 120.400 0.044 0.000 2.117 332 D HA -0.098 4.542 4.640 -0.000 0.000 0.198 332 D C 1.855 178.152 176.300 -0.004 0.000 0.982 332 D CA 1.316 55.340 54.000 0.040 0.000 0.828 332 D CB -0.153 40.722 40.800 0.124 0.000 0.967 332 D HN 0.131 nan 8.370 nan 0.000 0.464 333 A N 0.802 123.632 122.820 0.017 0.000 1.930 333 A HA 0.010 4.330 4.320 -0.000 0.000 0.217 333 A C 2.263 179.834 177.584 -0.021 0.000 1.175 333 A CA 1.975 54.007 52.037 -0.007 0.000 0.627 333 A CB -0.562 18.448 19.000 0.017 0.000 0.815 333 A HN 0.228 nan 8.150 nan 0.000 0.443 334 A N -0.643 122.172 122.820 -0.008 0.000 1.873 334 A HA -0.036 4.284 4.320 -0.000 0.000 0.215 334 A C 2.433 180.010 177.584 -0.011 0.000 1.186 334 A CA 1.937 53.970 52.037 -0.006 0.000 0.616 334 A CB -0.867 18.134 19.000 0.001 0.000 0.823 334 A HN 0.426 nan 8.150 nan 0.000 0.442 335 S N -0.387 115.305 115.700 -0.013 0.000 2.382 335 S HA -0.058 4.412 4.470 -0.000 0.000 0.228 335 S C 1.818 176.403 174.600 -0.024 0.000 1.027 335 S CA 1.128 59.324 58.200 -0.007 0.000 0.991 335 S CB -0.357 62.842 63.200 -0.002 0.000 0.823 335 S HN 0.493 nan 8.310 nan 0.000 0.469 336 L N 0.899 122.057 121.223 -0.108 0.000 2.093 336 L HA -0.045 4.294 4.340 -0.000 0.000 0.208 336 L C 2.594 179.432 176.870 -0.054 0.000 1.085 336 L CA 1.095 55.804 54.840 -0.218 0.000 0.755 336 L CB -0.186 41.640 42.059 -0.387 0.000 0.904 336 L HN 0.260 nan 8.230 nan 0.000 0.435 337 R N -1.089 119.394 120.500 -0.028 0.000 2.081 337 R HA -0.144 4.195 4.340 -0.000 0.000 0.235 337 R C 2.104 178.418 176.300 0.022 0.000 1.131 337 R CA 1.400 57.503 56.100 0.006 0.000 0.960 337 R CB -0.364 29.934 30.300 -0.003 0.000 0.856 337 R HN 0.230 nan 8.270 nan 0.000 0.436 338 V N 0.798 120.724 119.914 0.020 0.000 2.287 338 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 338 V C 1.957 178.065 176.094 0.023 0.000 1.053 338 V CA 1.926 64.234 62.300 0.014 0.000 1.027 338 V CB -0.651 31.183 31.823 0.018 0.000 0.646 338 V HN 0.234 nan 8.190 nan 0.000 0.447 339 F N 1.521 121.420 119.950 -0.086 0.000 2.091 339 F HA -0.284 4.243 4.527 -0.000 0.000 0.299 339 F C 2.448 178.184 175.800 -0.107 0.000 1.103 339 F CA 2.476 60.419 58.000 -0.094 0.000 1.228 339 F CB -0.503 38.437 39.000 -0.101 0.000 0.984 339 F HN 0.133 nan 8.300 nan 0.000 0.477 340 T N -0.202 114.446 114.554 0.157 0.000 2.821 340 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 340 T C 1.688 176.385 174.700 -0.004 0.000 1.046 340 T CA 1.643 63.835 62.100 0.154 0.000 1.139 340 T CB -0.319 68.702 68.868 0.254 0.000 0.871 340 T HN 0.397 nan 8.240 nan 0.000 0.454 341 E N 1.037 121.211 120.200 -0.045 0.000 2.077 341 E HA -0.048 4.302 4.350 -0.000 0.000 0.193 341 E C 2.581 179.059 176.600 -0.204 0.000 0.989 341 E CA 0.937 57.283 56.400 -0.090 0.000 0.800 341 E CB -0.229 29.430 29.700 -0.069 0.000 0.746 341 E HN 0.469 nan 8.360 nan 0.000 0.452 342 A N 1.450 124.095 122.820 -0.292 0.000 1.851 342 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 342 A C 2.173 179.347 177.584 -0.683 0.000 1.195 342 A CA 1.557 53.272 52.037 -0.536 0.000 0.622 342 A CB -0.458 18.261 19.000 -0.469 0.000 0.831 342 A HN 0.135 nan 8.150 nan 0.000 0.444 343 M N -0.115 119.194 119.600 -0.485 0.000 2.106 343 M HA -0.145 4.335 4.480 -0.000 0.000 0.259 343 M C 2.177 178.420 176.300 -0.095 0.000 1.068 343 M CA 2.230 57.367 55.300 -0.273 0.000 1.100 343 M CB -2.020 30.354 32.600 -0.377 0.000 1.351 343 M HN 0.520 nan 8.290 nan 0.000 0.404 344 T N -0.265 114.230 114.554 -0.098 0.000 2.777 344 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 344 T C 1.965 176.617 174.700 -0.080 0.000 1.040 344 T CA 1.045 63.123 62.100 -0.036 0.000 1.141 344 T CB -0.202 68.651 68.868 -0.025 0.000 0.868 344 T HN 0.382 nan 8.240 nan 0.000 0.444 345 R N 0.162 120.547 120.500 -0.192 0.000 2.105 345 R HA -0.093 4.247 4.340 -0.000 0.000 0.239 345 R C 1.867 178.107 176.300 -0.101 0.000 1.135 345 R CA 1.302 57.285 56.100 -0.194 0.000 0.967 345 R CB -0.383 29.734 30.300 -0.305 0.000 0.861 345 R HN 0.431 nan 8.270 nan 0.000 0.442 346 Y N 0.194 120.447 120.300 -0.078 0.000 2.578 346 Y HA 0.037 4.587 4.550 -0.000 0.000 0.297 346 Y C 0.966 176.827 175.900 -0.064 0.000 1.176 346 Y CA -0.009 58.035 58.100 -0.094 0.000 1.315 346 Y CB -0.342 38.087 38.460 -0.052 0.000 1.031 346 Y HN -0.005 nan 8.280 nan 0.000 0.524 347 S N -0.278 115.475 115.700 0.088 0.000 3.884 347 S HA -0.108 4.362 4.470 -0.000 0.000 0.374 347 S C -0.031 174.610 174.600 0.069 0.000 0.971 347 S CA 0.446 58.685 58.200 0.066 0.000 1.152 347 S CB -1.428 61.796 63.200 0.039 0.000 0.877 347 S HN 0.732 nan 8.310 nan 0.000 0.491 348 A N 1.818 124.707 122.820 0.115 0.000 3.453 348 A HA 0.579 4.899 4.320 -0.000 0.000 0.262 348 A C -2.415 175.334 177.584 0.275 0.000 1.026 348 A CA -0.674 51.476 52.037 0.189 0.000 0.938 348 A CB 0.927 20.083 19.000 0.260 0.000 1.246 348 A HN 0.446 nan 8.150 nan 0.000 0.546 349 P HA 0.373 nan 4.420 nan 0.000 0.274 349 P C -2.954 174.424 177.300 0.130 0.000 1.231 349 P CA -1.231 61.960 63.100 0.151 0.000 0.790 349 P CB 0.880 32.596 31.700 0.027 0.000 0.951 350 P HA 0.120 nan 4.420 nan 0.000 0.279 350 P C 0.883 178.126 177.300 -0.096 0.000 1.252 350 P CA -0.009 62.995 63.100 -0.159 0.000 0.811 350 P CB 0.693 32.219 31.700 -0.289 0.000 1.035 351 G N 1.841 110.577 108.800 -0.106 0.000 2.605 351 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.215 351 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.215 351 G C -0.478 174.384 174.900 -0.064 0.000 1.279 351 G CA 0.351 45.416 45.100 -0.059 0.000 0.831 351 G HN 0.658 nan 8.290 nan 0.000 0.560 352 D N 1.368 121.726 120.400 -0.070 0.000 2.177 352 D HA 0.482 5.122 4.640 -0.000 0.000 0.247 352 D C -2.603 173.651 176.300 -0.077 0.000 1.063 352 D CA -2.101 51.865 54.000 -0.057 0.000 0.867 352 D CB 1.355 42.134 40.800 -0.036 0.000 1.168 352 D HN 0.118 nan 8.370 nan 0.000 0.445 353 P HA 0.111 nan 4.420 nan 0.000 0.266 353 P C -2.294 174.992 177.300 -0.024 0.000 1.195 353 P CA -0.896 62.185 63.100 -0.032 0.000 0.768 353 P CB -0.307 31.388 31.700 -0.009 0.000 0.838 354 P HA 0.132 nan 4.420 nan 0.000 0.271 354 P C -0.525 176.759 177.300 -0.027 0.000 1.218 354 P CA 0.179 63.297 63.100 0.030 0.000 0.780 354 P CB 0.705 32.472 31.700 0.113 0.000 0.901 355 Q N 1.824 121.623 119.800 -0.002 0.000 2.372 355 Q HA 0.457 4.797 4.340 -0.000 0.000 0.273 355 Q C -2.487 173.507 176.000 -0.010 0.000 1.078 355 Q CA -2.116 53.677 55.803 -0.017 0.000 0.806 355 Q CB 1.696 30.441 28.738 0.011 0.000 1.332 355 Q HN 0.328 nan 8.270 nan 0.000 0.435 356 P HA 0.159 nan 4.420 nan 0.000 0.271 356 P C -0.535 176.679 177.300 -0.143 0.000 1.216 356 P CA -0.028 63.007 63.100 -0.108 0.000 0.776 356 P CB 0.876 32.495 31.700 -0.135 0.000 0.881 357 E N 1.527 121.595 120.200 -0.220 0.000 2.288 357 E HA 0.236 4.586 4.350 -0.000 0.000 0.268 357 E C -0.546 175.887 176.600 -0.278 0.000 0.885 357 E CA -0.378 55.932 56.400 -0.150 0.000 0.767 357 E CB 1.483 31.171 29.700 -0.020 0.000 1.220 357 E HN 0.443 nan 8.360 nan 0.000 0.427 358 Y N -0.400 120.044 120.300 0.241 0.000 2.500 358 Y HA 0.170 4.720 4.550 -0.000 0.000 0.246 358 Y C 0.274 176.415 175.900 0.402 0.000 1.146 358 Y CA -0.395 57.910 58.100 0.340 0.000 1.230 358 Y CB 1.028 39.592 38.460 0.173 0.000 1.214 358 Y HN 0.259 nan 8.280 nan 0.000 0.526 359 D N 0.476 121.025 120.400 0.250 0.000 2.471 359 D HA 0.130 4.770 4.640 -0.000 0.000 0.245 359 D C 0.736 176.818 176.300 -0.364 0.000 1.116 359 D CA -0.324 53.684 54.000 0.013 0.000 0.853 359 D CB 1.566 42.384 40.800 0.030 0.000 1.123 359 D HN 0.077 nan 8.370 nan 0.000 0.540 360 L N 4.153 124.824 121.223 -0.920 0.000 2.081 360 L HA -0.104 4.236 4.340 -0.000 0.000 0.212 360 L C 1.537 178.079 176.870 -0.547 0.000 1.080 360 L CA 1.950 56.076 54.840 -1.191 0.000 0.754 360 L CB -0.300 40.779 42.059 -1.632 0.000 0.893 360 L HN 0.525 nan 8.230 nan 0.000 0.433 361 E N -0.827 119.160 120.200 -0.355 0.000 2.409 361 E HA -0.147 4.203 4.350 -0.000 0.000 0.198 361 E C 1.848 178.359 176.600 -0.149 0.000 1.024 361 E CA 0.780 57.058 56.400 -0.204 0.000 0.861 361 E CB -0.127 29.498 29.700 -0.125 0.000 0.788 361 E HN 0.554 nan 8.360 nan 0.000 0.521 362 L N 0.655 121.789 121.223 -0.149 0.000 2.607 362 L HA 0.217 4.556 4.340 -0.000 0.000 0.228 362 L C 0.536 177.355 176.870 -0.084 0.000 1.123 362 L CA -0.221 54.567 54.840 -0.087 0.000 0.890 362 L CB 0.291 42.323 42.059 -0.045 0.000 1.103 362 L HN 0.014 nan 8.230 nan 0.000 0.468 363 I N 0.144 120.634 120.570 -0.133 0.000 2.371 363 I HA 0.096 4.265 4.170 -0.000 0.000 0.290 363 I C 0.127 176.199 176.117 -0.075 0.000 1.028 363 I CA 0.146 61.386 61.300 -0.099 0.000 1.345 363 I CB 1.203 39.122 38.000 -0.135 0.000 1.407 363 I HN -0.086 nan 8.210 nan 0.000 0.501 364 T N 5.196 119.728 114.554 -0.035 0.000 2.744 364 T HA 0.435 4.785 4.350 -0.000 0.000 0.291 364 T C -0.122 174.575 174.700 -0.004 0.000 0.957 364 T CA -0.579 61.514 62.100 -0.013 0.000 1.002 364 T CB 0.774 69.644 68.868 0.002 0.000 0.919 364 T HN 0.758 nan 8.240 nan 0.000 0.468 365 S N 0.919 116.620 115.700 0.000 0.000 2.540 365 S HA 0.400 4.870 4.470 -0.000 0.000 0.275 365 S C 0.050 174.665 174.600 0.024 0.000 1.123 365 S CA -0.854 57.347 58.200 0.001 0.000 0.907 365 S CB 0.612 63.796 63.200 -0.026 0.000 1.081 365 S HN 0.879 nan 8.310 nan 0.000 0.476 366 C N 2.343 121.656 119.300 0.023 0.000 4.028 366 C HA -0.158 4.302 4.460 -0.000 0.000 0.300 366 C C 1.305 176.371 174.990 0.126 0.000 1.399 366 C CA 0.750 59.805 59.018 0.063 0.000 2.051 366 C CB -3.319 24.452 27.740 0.051 0.000 1.318 366 C HN 1.727 nan 8.230 nan 0.000 0.696 367 S N -1.613 114.152 115.700 0.108 0.000 3.473 367 S HA -0.197 4.273 4.470 -0.000 0.000 0.339 367 S C 0.227 174.920 174.600 0.155 0.000 1.148 367 S CA 1.198 59.473 58.200 0.124 0.000 0.969 367 S CB -0.999 62.292 63.200 0.152 0.000 0.936 367 S HN 1.081 nan 8.310 nan 0.000 0.530 368 S N 1.660 117.444 115.700 0.140 0.000 2.569 368 S HA 0.711 5.181 4.470 -0.000 0.000 0.280 368 S C -0.449 174.189 174.600 0.063 0.000 1.111 368 S CA -1.054 57.247 58.200 0.168 0.000 0.887 368 S CB 1.752 65.114 63.200 0.269 0.000 1.095 368 S HN 0.572 nan 8.310 nan 0.000 0.476 369 N N -0.342 118.378 118.700 0.033 0.000 2.265 369 N HA 0.504 5.244 4.740 -0.000 0.000 0.300 369 N C -1.214 174.238 175.510 -0.096 0.000 1.148 369 N CA -0.629 52.392 53.050 -0.048 0.000 0.772 369 N CB 1.207 39.656 38.487 -0.064 0.000 1.434 369 N HN 0.323 nan 8.380 nan 0.000 0.481 370 V N 0.602 120.427 119.914 -0.149 0.000 2.614 370 V HA 0.297 4.417 4.120 -0.000 0.000 0.291 370 V C 0.578 176.543 176.094 -0.214 0.000 1.049 370 V CA 0.101 62.292 62.300 -0.182 0.000 1.038 370 V CB 0.761 32.470 31.823 -0.191 0.000 0.980 370 V HN 0.847 nan 8.190 nan 0.000 0.481 371 S N 2.863 118.344 115.700 -0.364 0.000 2.685 371 S HA 0.802 5.272 4.470 -0.000 0.000 0.282 371 S C -1.300 173.127 174.600 -0.288 0.000 1.159 371 S CA -0.479 57.518 58.200 -0.338 0.000 0.833 371 S CB 2.082 65.034 63.200 -0.414 0.000 1.151 371 S HN 0.677 nan 8.310 nan 0.000 0.485 372 V N 1.169 121.019 119.914 -0.107 0.000 2.789 372 V HA 0.970 5.090 4.120 -0.000 0.000 0.311 372 V C -0.285 175.764 176.094 -0.075 0.000 1.073 372 V CA 0.287 62.476 62.300 -0.185 0.000 0.921 372 V CB 1.165 32.717 31.823 -0.452 0.000 1.009 372 V HN 1.276 nan 8.190 nan 0.000 0.426 373 A N 4.455 127.119 122.820 -0.260 0.000 2.566 373 A HA 0.950 5.270 4.320 -0.000 0.000 0.291 373 A C -1.548 175.570 177.584 -0.776 0.000 1.278 373 A CA -0.543 51.208 52.037 -0.477 0.000 0.711 373 A CB 1.599 20.184 19.000 -0.692 0.000 1.332 373 A HN 1.015 nan 8.150 nan 0.000 0.478 374 H N 0.132 118.836 119.070 -0.610 0.000 2.600 374 H HA 0.475 5.031 4.556 -0.000 0.000 0.357 374 H C -0.848 174.129 175.328 -0.586 0.000 1.106 374 H CA -0.355 55.336 56.048 -0.596 0.000 1.193 374 H CB 1.355 30.720 29.762 -0.660 0.000 1.594 374 H HN 0.803 nan 8.280 nan 0.000 0.526 375 D N 1.088 121.396 120.400 -0.154 0.000 2.414 375 D HA 0.173 4.813 4.640 -0.000 0.000 0.259 375 D C 1.279 177.682 176.300 0.170 0.000 1.269 375 D CA -0.250 53.738 54.000 -0.020 0.000 1.028 375 D CB 0.338 41.132 40.800 -0.010 0.000 1.093 375 D HN 0.509 nan 8.370 nan 0.000 0.545 376 A N -0.326 122.587 122.820 0.156 0.000 1.972 376 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 376 A C 2.001 179.656 177.584 0.118 0.000 1.169 376 A CA 2.070 54.196 52.037 0.149 0.000 0.635 376 A CB -1.123 17.927 19.000 0.084 0.000 0.810 376 A HN 0.632 nan 8.150 nan 0.000 0.446 377 S N -1.619 114.137 115.700 0.093 0.000 2.607 377 S HA 0.348 4.817 4.470 -0.000 0.000 0.224 377 S C 1.397 176.045 174.600 0.080 0.000 0.969 377 S CA 1.073 59.314 58.200 0.068 0.000 0.927 377 S CB -0.524 62.704 63.200 0.048 0.000 0.772 377 S HN 1.935 nan 8.310 nan 0.000 0.533 378 G N 1.033 109.913 108.800 0.133 0.000 2.159 378 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.256 378 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.256 378 G C -0.055 174.929 174.900 0.141 0.000 0.977 378 G CA 0.366 45.538 45.100 0.121 0.000 0.652 378 G HN 0.742 nan 8.290 nan 0.000 0.531 379 K N 0.879 121.339 120.400 0.100 0.000 2.249 379 K HA 0.429 4.749 4.320 -0.000 0.000 0.280 379 K C 0.883 177.474 176.600 -0.015 0.000 1.033 379 K CA -0.770 55.554 56.287 0.062 0.000 0.946 379 K CB 0.330 32.845 32.500 0.024 0.000 1.005 379 K HN 0.316 nan 8.250 nan 0.000 0.469 380 R N 1.772 122.218 120.500 -0.090 0.000 2.570 380 R HA 0.096 4.436 4.340 -0.000 0.000 0.277 380 R C -0.362 175.733 176.300 -0.342 0.000 1.039 380 R CA -0.211 55.651 56.100 -0.397 0.000 1.065 380 R CB 0.881 30.952 30.300 -0.381 0.000 0.964 380 R HN 0.377 nan 8.270 nan 0.000 0.428 381 V N 4.132 123.780 119.914 -0.444 0.000 2.686 381 V HA 0.383 4.503 4.120 -0.000 0.000 0.306 381 V C -1.478 174.451 176.094 -0.275 0.000 1.065 381 V CA -0.820 61.323 62.300 -0.261 0.000 0.894 381 V CB 1.388 33.128 31.823 -0.138 0.000 1.004 381 V HN 0.624 nan 8.190 nan 0.000 0.424 382 Y N 7.071 127.363 120.300 -0.012 0.000 2.299 382 Y HA 0.712 5.262 4.550 -0.000 0.000 0.326 382 Y C 0.085 176.045 175.900 0.101 0.000 1.164 382 Y CA 0.144 58.245 58.100 0.001 0.000 1.234 382 Y CB 1.327 39.745 38.460 -0.070 0.000 1.219 382 Y HN 0.853 nan 8.280 nan 0.000 0.497 383 Y N -0.427 119.928 120.300 0.092 0.000 2.615 383 Y HA 0.758 5.308 4.550 -0.000 0.000 0.341 383 Y C -2.013 173.945 175.900 0.096 0.000 1.089 383 Y CA -2.147 55.993 58.100 0.067 0.000 1.049 383 Y CB 0.794 39.264 38.460 0.016 0.000 1.296 383 Y HN 0.418 nan 8.280 nan 0.000 0.470 384 L N 2.367 123.660 121.223 0.117 0.000 2.307 384 L HA 0.722 5.062 4.340 -0.000 0.000 0.282 384 L C 0.218 177.272 176.870 0.306 0.000 1.051 384 L CA -0.363 54.537 54.840 0.100 0.000 0.804 384 L CB 1.829 43.974 42.059 0.144 0.000 1.197 384 L HN 0.991 nan 8.230 nan 0.000 0.431 385 T N 2.579 117.267 114.554 0.225 0.000 2.778 385 T HA 0.793 5.142 4.350 -0.000 0.000 0.293 385 T C -1.255 173.562 174.700 0.194 0.000 1.144 385 T CA -0.684 61.610 62.100 0.324 0.000 1.010 385 T CB 1.744 70.786 68.868 0.290 0.000 1.325 385 T HN 0.797 nan 8.240 nan 0.000 0.515 386 R N 0.611 121.164 120.500 0.089 0.000 2.766 386 R HA 0.505 4.845 4.340 -0.000 0.000 0.270 386 R C -1.421 174.704 176.300 -0.292 0.000 1.035 386 R CA -1.008 55.027 56.100 -0.109 0.000 0.911 386 R CB 0.452 30.639 30.300 -0.188 0.000 1.243 386 R HN 0.526 nan 8.270 nan 0.000 0.460 387 D N 1.698 121.929 120.400 -0.281 0.000 2.450 387 D HA 0.047 4.687 4.640 -0.000 0.000 0.247 387 D C -1.394 174.527 176.300 -0.633 0.000 1.162 387 D CA -1.282 52.501 54.000 -0.360 0.000 0.879 387 D CB 1.297 41.975 40.800 -0.204 0.000 1.163 387 D HN 0.333 nan 8.370 nan 0.000 0.472 388 P HA 0.009 nan 4.420 nan 0.000 0.249 388 P C 1.186 178.143 177.300 -0.571 0.000 1.229 388 P CA 0.136 62.516 63.100 -1.201 0.000 0.788 388 P CB 0.297 31.182 31.700 -1.359 0.000 1.072 389 T N -0.010 114.334 114.554 -0.350 0.000 2.597 389 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 389 T C 1.746 176.375 174.700 -0.118 0.000 1.053 389 T CA 2.560 64.558 62.100 -0.171 0.000 1.165 389 T CB -1.174 67.635 68.868 -0.098 0.000 0.863 389 T HN 0.200 nan 8.240 nan 0.000 0.427 390 T N 2.125 116.611 114.554 -0.112 0.000 2.737 390 T HA -0.047 4.303 4.350 -0.000 0.000 0.265 390 T C -0.520 174.135 174.700 -0.076 0.000 1.038 390 T CA 1.232 63.295 62.100 -0.061 0.000 1.144 390 T CB -1.252 67.614 68.868 -0.003 0.000 0.866 390 T HN 0.331 nan 8.240 nan 0.000 0.434 391 P HA -0.040 nan 4.420 nan 0.000 0.216 391 P C 1.458 178.790 177.300 0.054 0.000 1.153 391 P CA 1.005 64.101 63.100 -0.006 0.000 0.858 391 P CB -0.178 31.485 31.700 -0.062 0.000 0.789 392 L N -1.717 119.494 121.223 -0.020 0.000 2.131 392 L HA -0.062 4.278 4.340 -0.000 0.000 0.206 392 L C 2.439 179.348 176.870 0.064 0.000 1.087 392 L CA 1.229 56.086 54.840 0.029 0.000 0.767 392 L CB -1.046 40.990 42.059 -0.039 0.000 0.917 392 L HN -0.049 nan 8.230 nan 0.000 0.441 393 A N 0.333 123.177 122.820 0.040 0.000 1.902 393 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 393 A C 2.375 180.026 177.584 0.112 0.000 1.181 393 A CA 1.405 53.486 52.037 0.073 0.000 0.623 393 A CB -0.417 18.601 19.000 0.029 0.000 0.818 393 A HN 0.284 nan 8.150 nan 0.000 0.443 394 R N -0.591 119.944 120.500 0.059 0.000 2.075 394 R HA -0.046 4.294 4.340 -0.000 0.000 0.232 394 R C 2.479 178.931 176.300 0.253 0.000 1.126 394 R CA 1.137 57.290 56.100 0.088 0.000 0.963 394 R CB -0.441 29.855 30.300 -0.006 0.000 0.858 394 R HN 0.514 nan 8.270 nan 0.000 0.435 395 A N 1.172 124.169 122.820 0.294 0.000 1.908 395 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 395 A C 2.355 180.183 177.584 0.406 0.000 1.181 395 A CA 1.816 54.142 52.037 0.483 0.000 0.627 395 A CB -0.728 18.577 19.000 0.508 0.000 0.818 395 A HN 0.416 nan 8.150 nan 0.000 0.445 396 A N -1.394 121.566 122.820 0.233 0.000 1.902 396 A HA -0.201 4.118 4.320 -0.000 0.000 0.217 396 A C 2.110 179.809 177.584 0.192 0.000 1.181 396 A CA 1.466 53.597 52.037 0.156 0.000 0.623 396 A CB -0.889 18.185 19.000 0.123 0.000 0.818 396 A HN 0.841 nan 8.150 nan 0.000 0.443 397 W N 1.012 122.355 121.300 0.071 0.000 2.358 397 W HA -0.140 4.520 4.660 -0.000 0.000 0.303 397 W C 1.597 178.163 176.519 0.077 0.000 1.208 397 W CA 1.933 59.307 57.345 0.049 0.000 1.274 397 W CB -0.289 29.184 29.460 0.023 0.000 1.138 397 W HN 0.558 nan 8.180 nan 0.000 0.515 398 E N -0.885 119.576 120.200 0.436 0.000 2.427 398 E HA -0.101 4.249 4.350 -0.000 0.000 0.196 398 E C 1.916 178.681 176.600 0.276 0.000 1.028 398 E CA 1.211 57.837 56.400 0.377 0.000 0.864 398 E CB -0.119 29.859 29.700 0.464 0.000 0.813 398 E HN 0.056 nan 8.360 nan 0.000 0.514 399 T N 0.316 115.015 114.554 0.242 0.000 2.867 399 T HA -0.073 4.277 4.350 -0.000 0.000 0.268 399 T C 1.750 176.436 174.700 -0.023 0.000 1.057 399 T CA 1.240 63.408 62.100 0.112 0.000 1.136 399 T CB 0.078 69.026 68.868 0.133 0.000 0.874 399 T HN 0.230 nan 8.240 nan 0.000 0.466 400 A N 0.040 122.821 122.820 -0.066 0.000 2.229 400 A HA 0.347 4.666 4.320 -0.000 0.000 0.211 400 A C 0.958 178.441 177.584 -0.168 0.000 1.193 400 A CA -0.069 51.878 52.037 -0.150 0.000 0.879 400 A CB 0.536 19.404 19.000 -0.221 0.000 0.911 400 A HN 0.091 nan 8.150 nan 0.000 0.492 401 R N 0.291 120.717 120.500 -0.123 0.000 2.575 401 R HA 0.357 4.697 4.340 -0.000 0.000 0.293 401 R C -1.612 174.700 176.300 0.020 0.000 0.983 401 R CA -0.547 55.526 56.100 -0.046 0.000 0.887 401 R CB 0.905 31.212 30.300 0.011 0.000 1.184 401 R HN 0.476 nan 8.270 nan 0.000 0.445 402 H N 0.846 119.980 119.070 0.106 0.000 2.929 402 H HA 0.099 4.655 4.556 -0.000 0.000 0.317 402 H C 0.489 175.889 175.328 0.120 0.000 1.031 402 H CA 0.943 57.060 56.048 0.114 0.000 1.466 402 H CB 0.744 30.549 29.762 0.073 0.000 1.482 402 H HN 0.499 nan 8.280 nan 0.000 0.561 403 T N 1.147 115.841 114.554 0.233 0.000 2.940 403 T HA 0.230 4.580 4.350 -0.000 0.000 0.288 403 T C -1.471 173.256 174.700 0.046 0.000 1.033 403 T CA -1.903 60.281 62.100 0.140 0.000 1.033 403 T CB 1.848 70.795 68.868 0.132 0.000 1.079 403 T HN 0.356 nan 8.240 nan 0.000 0.496 404 P HA 0.052 nan 4.420 nan 0.000 0.215 404 P C 0.126 177.303 177.300 -0.205 0.000 1.157 404 P CA 0.495 63.482 63.100 -0.187 0.000 0.863 404 P CB 0.004 31.578 31.700 -0.210 0.000 0.787 405 V N 2.355 122.195 119.914 -0.123 0.000 2.417 405 V HA 0.205 4.325 4.120 -0.000 0.000 0.291 405 V C 0.132 176.166 176.094 -0.101 0.000 1.024 405 V CA -0.747 61.486 62.300 -0.113 0.000 0.861 405 V CB 1.267 33.040 31.823 -0.083 0.000 0.985 405 V HN 0.068 nan 8.190 nan 0.000 0.436 406 N N 3.418 122.010 118.700 -0.180 0.000 2.602 406 N HA 0.044 4.784 4.740 -0.000 0.000 0.238 406 N C 1.388 176.644 175.510 -0.423 0.000 1.084 406 N CA 0.176 53.042 53.050 -0.306 0.000 0.952 406 N CB 1.488 39.634 38.487 -0.568 0.000 1.244 406 N HN 0.825 nan 8.380 nan 0.000 0.512 407 S N 2.280 117.875 115.700 -0.175 0.000 2.400 407 S HA -0.133 4.337 4.470 -0.000 0.000 0.232 407 S C 1.844 176.393 174.600 -0.085 0.000 1.025 407 S CA 0.314 58.453 58.200 -0.100 0.000 0.993 407 S CB -0.432 62.762 63.200 -0.009 0.000 0.808 407 S HN 0.792 nan 8.310 nan 0.000 0.478 408 W N 1.117 122.348 121.300 -0.116 0.000 2.350 408 W HA -0.048 4.612 4.660 -0.000 0.000 0.289 408 W C 1.681 178.119 176.519 -0.135 0.000 1.215 408 W CA 0.521 57.757 57.345 -0.182 0.000 1.236 408 W CB -1.048 27.993 29.460 -0.697 0.000 1.130 408 W HN 0.370 nan 8.180 nan 0.000 0.541 409 L N 2.749 123.405 121.223 -0.945 0.000 2.072 409 L HA 0.201 4.541 4.340 -0.000 0.000 0.205 409 L C 2.659 179.362 176.870 -0.278 0.000 1.079 409 L CA 2.610 56.967 54.840 -0.806 0.000 0.752 409 L CB -1.377 39.965 42.059 -1.197 0.000 0.906 409 L HN 0.035 nan 8.230 nan 0.000 0.436 410 G N -0.521 108.139 108.800 -0.233 0.000 2.418 410 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 410 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 410 G C 1.478 176.398 174.900 0.034 0.000 1.158 410 G CA 0.772 45.819 45.100 -0.089 0.000 0.771 410 G HN 0.436 nan 8.290 nan 0.000 0.545 411 N N 0.647 119.426 118.700 0.132 0.000 2.142 411 N HA -0.034 4.706 4.740 -0.000 0.000 0.186 411 N C 2.290 177.957 175.510 0.261 0.000 1.023 411 N CA 0.788 54.043 53.050 0.343 0.000 0.852 411 N CB -0.221 38.544 38.487 0.463 0.000 0.998 411 N HN 0.322 nan 8.380 nan 0.000 0.424 412 I N 1.086 121.772 120.570 0.193 0.000 2.208 412 I HA -0.252 3.917 4.170 -0.000 0.000 0.245 412 I C 2.048 178.227 176.117 0.105 0.000 1.097 412 I CA 0.985 62.377 61.300 0.153 0.000 1.363 412 I CB -0.169 37.986 38.000 0.258 0.000 1.051 412 I HN 0.061 nan 8.210 nan 0.000 0.413 413 I N -0.212 120.424 120.570 0.110 0.000 2.202 413 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 413 I C 2.385 178.625 176.117 0.206 0.000 1.091 413 I CA 1.234 62.624 61.300 0.150 0.000 1.368 413 I CB -0.158 37.924 38.000 0.137 0.000 1.058 413 I HN 0.199 nan 8.210 nan 0.000 0.410 414 M N -1.044 118.596 119.600 0.066 0.000 2.476 414 M HA -0.027 4.453 4.480 -0.000 0.000 0.262 414 M C 0.810 177.000 176.300 -0.184 0.000 1.111 414 M CA 1.357 56.615 55.300 -0.070 0.000 1.127 414 M CB -0.419 32.005 32.600 -0.295 0.000 1.376 414 M HN 0.179 nan 8.290 nan 0.000 0.465 415 Y N -0.450 119.868 120.300 0.029 0.000 2.720 415 Y HA 0.470 5.020 4.550 -0.000 0.000 0.268 415 Y C 1.812 177.458 175.900 -0.424 0.000 1.142 415 Y CA -0.462 57.532 58.100 -0.177 0.000 1.193 415 Y CB -0.836 37.464 38.460 -0.267 0.000 1.176 415 Y HN 0.144 nan 8.280 nan 0.000 0.542 416 A N 0.878 123.492 122.820 -0.343 0.000 1.978 416 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 416 A C -0.471 176.791 177.584 -0.536 0.000 1.170 416 A CA 1.430 53.209 52.037 -0.430 0.000 0.636 416 A CB -1.232 17.549 19.000 -0.366 0.000 0.810 416 A HN 0.258 nan 8.150 nan 0.000 0.448 417 P HA 0.040 nan 4.420 nan 0.000 0.241 417 P C 0.692 177.676 177.300 -0.526 0.000 1.191 417 P CA 1.073 63.857 63.100 -0.527 0.000 0.771 417 P CB -0.416 31.001 31.700 -0.473 0.000 0.929 418 T N -1.623 112.624 114.554 -0.513 0.000 2.860 418 T HA 0.165 4.515 4.350 -0.000 0.000 0.299 418 T C 1.215 175.441 174.700 -0.790 0.000 1.045 418 T CA -0.638 61.106 62.100 -0.593 0.000 1.071 418 T CB 0.552 68.945 68.868 -0.792 0.000 0.985 418 T HN -0.094 nan 8.240 nan 0.000 0.537 419 L N 1.120 121.757 121.223 -0.978 0.000 2.109 419 L HA 0.132 4.472 4.340 -0.000 0.000 0.207 419 L C 2.334 178.857 176.870 -0.579 0.000 1.086 419 L CA 0.896 55.162 54.840 -0.958 0.000 0.760 419 L CB -1.529 39.812 42.059 -1.197 0.000 0.910 419 L HN 0.900 nan 8.230 nan 0.000 0.437 420 W N 0.003 121.074 121.300 -0.382 0.000 2.418 420 W HA 0.138 4.797 4.660 -0.000 0.000 0.292 420 W C 1.998 178.371 176.519 -0.243 0.000 1.213 420 W CA 0.749 57.916 57.345 -0.297 0.000 1.283 420 W CB -1.192 28.128 29.460 -0.233 0.000 1.119 420 W HN 0.324 nan 8.180 nan 0.000 0.542 421 A N 1.827 124.194 122.820 -0.756 0.000 1.929 421 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 421 A C 2.246 179.675 177.584 -0.258 0.000 1.176 421 A CA 1.514 53.260 52.037 -0.484 0.000 0.628 421 A CB -0.708 17.854 19.000 -0.730 0.000 0.816 421 A HN 0.288 nan 8.150 nan 0.000 0.444 422 R N -0.946 119.313 120.500 -0.400 0.000 2.062 422 R HA 0.025 4.365 4.340 -0.000 0.000 0.231 422 R C 2.268 178.403 176.300 -0.276 0.000 1.136 422 R CA 1.741 57.620 56.100 -0.368 0.000 0.948 422 R CB -0.353 29.557 30.300 -0.650 0.000 0.845 422 R HN 0.502 nan 8.270 nan 0.000 0.430 423 M N -0.266 119.042 119.600 -0.487 0.000 2.236 423 M HA -0.030 4.450 4.480 -0.000 0.000 0.266 423 M C 2.004 178.249 176.300 -0.092 0.000 1.070 423 M CA 1.524 56.630 55.300 -0.322 0.000 1.137 423 M CB 0.061 32.401 32.600 -0.434 0.000 1.378 423 M HN 0.130 nan 8.290 nan 0.000 0.426 424 I N -0.675 119.681 120.570 -0.356 0.000 2.962 424 I HA -0.103 4.066 4.170 -0.000 0.000 0.246 424 I C 2.126 178.073 176.117 -0.283 0.000 1.091 424 I CA 0.385 61.200 61.300 -0.808 0.000 1.469 424 I CB -0.233 37.239 38.000 -0.879 0.000 1.324 424 I HN 0.140 nan 8.210 nan 0.000 0.461 425 L N 0.331 121.570 121.223 0.026 0.000 2.017 425 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 425 L C 2.679 179.856 176.870 0.511 0.000 1.073 425 L CA 1.641 56.690 54.840 0.349 0.000 0.745 425 L CB -0.402 41.892 42.059 0.393 0.000 0.894 425 L HN 0.291 nan 8.230 nan 0.000 0.432 426 M N -1.014 118.843 119.600 0.429 0.000 2.099 426 M HA -0.168 4.312 4.480 -0.000 0.000 0.262 426 M C 2.331 179.151 176.300 0.866 0.000 1.067 426 M CA 1.990 57.657 55.300 0.611 0.000 1.124 426 M CB -0.667 32.092 32.600 0.264 0.000 1.353 426 M HN 0.247 nan 8.290 nan 0.000 0.410 427 T N -1.077 113.950 114.554 0.790 0.000 2.622 427 T HA -0.252 4.098 4.350 -0.000 0.000 0.266 427 T C 1.682 176.672 174.700 0.484 0.000 1.047 427 T CA 2.087 64.591 62.100 0.674 0.000 1.159 427 T CB -0.682 68.626 68.868 0.733 0.000 0.863 427 T HN 0.458 nan 8.240 nan 0.000 0.422 428 H N 0.505 119.761 119.070 0.309 0.000 2.290 428 H HA -0.054 4.502 4.556 -0.000 0.000 0.298 428 H C 1.785 176.990 175.328 -0.204 0.000 1.087 428 H CA 1.699 57.784 56.048 0.061 0.000 1.291 428 H CB -0.537 29.117 29.762 -0.180 0.000 1.369 428 H HN 0.383 nan 8.280 nan 0.000 0.492 429 F N -1.325 118.582 119.950 -0.070 0.000 2.293 429 F HA 0.036 4.562 4.527 -0.000 0.000 0.297 429 F C 1.968 177.613 175.800 -0.257 0.000 1.089 429 F CA 0.396 58.133 58.000 -0.438 0.000 1.377 429 F CB -0.461 37.967 39.000 -0.954 0.000 1.051 429 F HN 0.126 nan 8.300 nan 0.000 0.511 430 F N -0.485 119.578 119.950 0.187 0.000 2.186 430 F HA -0.208 4.319 4.527 -0.000 0.000 0.299 430 F C 2.754 178.576 175.800 0.036 0.000 1.090 430 F CA 1.524 59.631 58.000 0.178 0.000 1.307 430 F CB -0.886 38.316 39.000 0.336 0.000 1.019 430 F HN -0.094 nan 8.300 nan 0.000 0.489 431 S N 0.526 116.297 115.700 0.118 0.000 2.359 431 S HA -0.212 4.258 4.470 -0.000 0.000 0.224 431 S C 2.112 176.663 174.600 -0.083 0.000 1.035 431 S CA 1.597 59.789 58.200 -0.013 0.000 1.018 431 S CB -0.506 62.669 63.200 -0.041 0.000 0.876 431 S HN 0.321 nan 8.310 nan 0.000 0.448 432 I N 1.236 121.692 120.570 -0.190 0.000 2.142 432 I HA -0.196 3.974 4.170 -0.000 0.000 0.240 432 I C 2.259 178.323 176.117 -0.090 0.000 1.078 432 I CA 1.235 62.417 61.300 -0.197 0.000 1.343 432 I CB -0.358 37.442 38.000 -0.334 0.000 1.046 432 I HN 0.319 nan 8.210 nan 0.000 0.405 433 L N -0.046 121.132 121.223 -0.075 0.000 2.046 433 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 433 L C 2.562 179.440 176.870 0.014 0.000 1.077 433 L CA 1.307 56.130 54.840 -0.028 0.000 0.747 433 L CB -0.658 41.350 42.059 -0.086 0.000 0.896 433 L HN 0.270 nan 8.230 nan 0.000 0.432 434 L N -0.005 121.240 121.223 0.036 0.000 1.989 434 L HA -0.249 4.091 4.340 -0.000 0.000 0.211 434 L C 2.885 179.765 176.870 0.016 0.000 1.071 434 L CA 1.519 56.386 54.840 0.045 0.000 0.749 434 L CB -0.701 41.388 42.059 0.051 0.000 0.890 434 L HN 0.261 nan 8.230 nan 0.000 0.431 435 A N -1.247 121.570 122.820 -0.006 0.000 2.019 435 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 435 A C 2.062 179.644 177.584 -0.003 0.000 1.164 435 A CA 1.338 53.367 52.037 -0.013 0.000 0.644 435 A CB -0.236 18.745 19.000 -0.032 0.000 0.805 435 A HN 0.457 nan 8.150 nan 0.000 0.449 436 Q N -0.605 119.197 119.800 0.003 0.000 2.319 436 Q HA 0.084 4.424 4.340 -0.000 0.000 0.202 436 Q C -0.560 175.457 176.000 0.028 0.000 0.896 436 Q CA 0.221 56.035 55.803 0.018 0.000 0.942 436 Q CB 0.068 28.823 28.738 0.028 0.000 1.083 436 Q HN 0.768 nan 8.270 nan 0.000 0.510 437 E N 0.891 121.107 120.200 0.028 0.000 2.210 437 E HA -0.250 4.100 4.350 -0.000 0.000 0.201 437 E C -0.290 176.336 176.600 0.044 0.000 1.339 437 E CA 0.279 56.700 56.400 0.036 0.000 0.699 437 E CB -1.087 28.631 29.700 0.031 0.000 1.126 437 E HN 0.427 nan 8.360 nan 0.000 0.355 438 Q N -0.254 119.575 119.800 0.048 0.000 2.110 438 Q HA 0.210 4.550 4.340 -0.000 0.000 0.232 438 Q C 1.561 177.597 176.000 0.060 0.000 0.810 438 Q CA -0.237 55.600 55.803 0.057 0.000 1.083 438 Q CB 0.541 29.321 28.738 0.069 0.000 1.193 438 Q HN 0.386 nan 8.270 nan 0.000 0.471 439 L N -0.068 121.193 121.223 0.064 0.000 2.083 439 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 439 L C 1.712 178.635 176.870 0.088 0.000 1.083 439 L CA 1.289 56.178 54.840 0.082 0.000 0.752 439 L CB 0.048 42.184 42.059 0.129 0.000 0.899 439 L HN 0.221 nan 8.230 nan 0.000 0.433 440 E N -0.129 120.117 120.200 0.076 0.000 2.481 440 E HA -0.045 4.305 4.350 -0.000 0.000 0.195 440 E C 0.665 177.304 176.600 0.065 0.000 1.047 440 E CA 0.161 56.603 56.400 0.070 0.000 0.867 440 E CB 0.235 29.970 29.700 0.059 0.000 0.858 440 E HN 0.100 nan 8.360 nan 0.000 0.513 441 K N 0.902 121.342 120.400 0.067 0.000 2.312 441 K HA 0.320 4.639 4.320 -0.000 0.000 0.287 441 K C -0.684 175.958 176.600 0.070 0.000 1.062 441 K CA -0.318 56.008 56.287 0.065 0.000 0.934 441 K CB 0.734 33.275 32.500 0.068 0.000 1.027 441 K HN 0.005 nan 8.250 nan 0.000 0.478 442 A N 5.296 128.155 122.820 0.065 0.000 2.477 442 A HA 0.288 4.608 4.320 -0.000 0.000 0.246 442 A C -0.443 177.176 177.584 0.059 0.000 1.078 442 A CA -0.108 51.968 52.037 0.066 0.000 0.770 442 A CB 0.117 19.161 19.000 0.074 0.000 1.011 442 A HN 0.770 nan 8.150 nan 0.000 0.494 443 L N 1.919 123.165 121.223 0.038 0.000 2.381 443 L HA 0.390 4.730 4.340 -0.000 0.000 0.268 443 L C -0.971 175.888 176.870 -0.019 0.000 0.997 443 L CA -1.044 53.798 54.840 0.003 0.000 0.818 443 L CB 2.140 44.172 42.059 -0.044 0.000 1.310 443 L HN 0.573 nan 8.230 nan 0.000 0.416 444 D N 1.465 121.850 120.400 -0.024 0.000 2.264 444 D HA 0.453 5.093 4.640 -0.000 0.000 0.250 444 D C -0.524 175.718 176.300 -0.097 0.000 1.113 444 D CA 0.005 53.999 54.000 -0.010 0.000 0.871 444 D CB 1.385 42.197 40.800 0.022 0.000 1.167 444 D HN 0.570 nan 8.370 nan 0.000 0.447 445 C N 0.816 120.070 119.300 -0.077 0.000 2.994 445 C HA 0.655 5.115 4.460 -0.000 0.000 0.304 445 C C -0.528 174.432 174.990 -0.051 0.000 1.273 445 C CA -0.985 57.962 59.018 -0.118 0.000 1.537 445 C CB 1.092 28.710 27.740 -0.202 0.000 2.001 445 C HN 0.516 nan 8.230 nan 0.000 0.471 446 Q N 1.058 120.824 119.800 -0.056 0.000 2.340 446 Q HA 0.730 5.070 4.340 -0.000 0.000 0.259 446 Q C -1.186 174.802 176.000 -0.021 0.000 0.964 446 Q CA -0.134 55.655 55.803 -0.024 0.000 0.900 446 Q CB 1.070 29.799 28.738 -0.015 0.000 1.228 446 Q HN 0.762 nan 8.270 nan 0.000 0.449 447 I N 3.883 124.455 120.570 0.004 0.000 2.447 447 I HA 0.164 4.334 4.170 -0.000 0.000 0.287 447 I C -0.924 175.216 176.117 0.039 0.000 1.023 447 I CA -0.762 60.472 61.300 -0.109 0.000 1.083 447 I CB 1.188 38.919 38.000 -0.449 0.000 1.245 447 I HN 0.725 nan 8.210 nan 0.000 0.434 448 Y N 5.129 125.481 120.300 0.087 0.000 3.721 448 Y HA -0.271 4.279 4.550 -0.000 0.000 0.218 448 Y C 1.456 177.318 175.900 -0.063 0.000 1.188 448 Y CA 1.079 59.205 58.100 0.044 0.000 1.607 448 Y CB -2.046 36.447 38.460 0.056 0.000 1.496 448 Y HN 0.964 nan 8.280 nan 0.000 0.626 449 G N -2.269 106.608 108.800 0.129 0.000 2.268 449 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.240 449 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.240 449 G C 0.474 175.383 174.900 0.015 0.000 1.010 449 G CA 0.109 45.244 45.100 0.058 0.000 0.618 449 G HN 1.528 nan 8.290 nan 0.000 0.516 450 A N -0.407 122.412 122.820 -0.002 0.000 2.316 450 A HA 0.647 4.967 4.320 -0.000 0.000 0.284 450 A C 0.638 177.978 177.584 -0.406 0.000 1.115 450 A CA 0.483 52.356 52.037 -0.272 0.000 0.812 450 A CB 0.948 19.705 19.000 -0.405 0.000 1.064 450 A HN 1.472 nan 8.150 nan 0.000 0.489 451 C N 2.023 121.040 119.300 -0.473 0.000 2.388 451 C HA 0.741 5.201 4.460 -0.000 0.000 0.362 451 C C -1.086 173.505 174.990 -0.666 0.000 1.266 451 C CA -0.420 58.413 59.018 -0.309 0.000 2.028 451 C CB -1.126 26.649 27.740 0.058 0.000 2.440 451 C HN 0.644 nan 8.230 nan 0.000 0.547 452 Y N 2.977 123.135 120.300 -0.237 0.000 2.391 452 Y HA 0.416 4.965 4.550 -0.000 0.000 0.341 452 Y C 0.394 176.209 175.900 -0.142 0.000 0.965 452 Y CA -0.335 57.584 58.100 -0.301 0.000 1.067 452 Y CB 1.749 39.961 38.460 -0.413 0.000 1.199 452 Y HN 0.600 nan 8.280 nan 0.000 0.450 453 S N 4.269 119.981 115.700 0.019 0.000 2.452 453 S HA 0.697 5.166 4.470 -0.000 0.000 0.284 453 S C -0.820 173.848 174.600 0.113 0.000 1.171 453 S CA -0.241 58.020 58.200 0.102 0.000 1.064 453 S CB -0.325 62.969 63.200 0.155 0.000 0.967 453 S HN 0.554 nan 8.310 nan 0.000 0.484 454 I N 3.932 124.557 120.570 0.092 0.000 2.582 454 I HA 0.338 4.508 4.170 -0.000 0.000 0.292 454 I C -0.384 175.777 176.117 0.073 0.000 1.066 454 I CA -0.556 60.805 61.300 0.102 0.000 1.053 454 I CB 2.287 40.353 38.000 0.110 0.000 1.241 454 I HN 0.582 nan 8.210 nan 0.000 0.421 455 E N 7.164 127.414 120.200 0.083 0.000 2.130 455 E HA 0.189 4.539 4.350 -0.000 0.000 0.284 455 E C -1.813 174.849 176.600 0.103 0.000 1.018 455 E CA -1.583 54.866 56.400 0.082 0.000 0.817 455 E CB 1.077 30.822 29.700 0.076 0.000 1.078 455 E HN 0.313 nan 8.360 nan 0.000 0.396 456 P HA -0.206 nan 4.420 nan 0.000 0.218 456 P C 0.881 178.347 177.300 0.276 0.000 1.146 456 P CA 1.178 64.373 63.100 0.159 0.000 0.820 456 P CB 0.215 31.945 31.700 0.051 0.000 0.778 457 L N -1.195 120.158 121.223 0.217 0.000 2.376 457 L HA -0.086 4.254 4.340 -0.000 0.000 0.219 457 L C 1.362 178.323 176.870 0.150 0.000 1.133 457 L CA 1.020 55.993 54.840 0.222 0.000 0.816 457 L CB -0.637 41.519 42.059 0.160 0.000 0.933 457 L HN -0.087 nan 8.230 nan 0.000 0.449 458 D N -0.275 120.197 120.400 0.120 0.000 2.349 458 D HA -0.019 4.621 4.640 -0.000 0.000 0.224 458 D C 2.240 178.588 176.300 0.079 0.000 1.029 458 D CA 0.360 54.400 54.000 0.066 0.000 0.879 458 D CB 0.187 41.009 40.800 0.036 0.000 0.906 458 D HN 0.233 nan 8.370 nan 0.000 0.528 459 L N 0.977 122.298 121.223 0.163 0.000 1.997 459 L HA -0.195 4.145 4.340 -0.000 0.000 0.216 459 L C -0.458 176.510 176.870 0.163 0.000 1.074 459 L CA 1.712 56.668 54.840 0.193 0.000 0.763 459 L CB -1.427 40.826 42.059 0.324 0.000 0.890 459 L HN 0.090 nan 8.230 nan 0.000 0.434 460 P HA -0.208 nan 4.420 nan 0.000 0.215 460 P C 1.374 178.730 177.300 0.094 0.000 1.157 460 P CA 1.379 64.527 63.100 0.080 0.000 0.874 460 P CB 0.006 31.561 31.700 -0.242 0.000 0.790 461 Q N -0.793 118.988 119.800 -0.031 0.000 2.084 461 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 461 Q C 2.221 178.195 176.000 -0.044 0.000 0.978 461 Q CA 1.307 57.076 55.803 -0.057 0.000 0.844 461 Q CB -0.987 27.696 28.738 -0.091 0.000 0.898 461 Q HN 0.262 nan 8.270 nan 0.000 0.426 462 I N 0.085 120.627 120.570 -0.046 0.000 2.127 462 I HA -0.294 3.876 4.170 -0.000 0.000 0.241 462 I C 2.057 178.171 176.117 -0.005 0.000 1.075 462 I CA 1.261 62.500 61.300 -0.102 0.000 1.334 462 I CB -0.312 37.643 38.000 -0.076 0.000 1.040 462 I HN 0.193 nan 8.210 nan 0.000 0.405 463 I N 0.427 121.063 120.570 0.111 0.000 2.179 463 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 463 I C 2.643 178.785 176.117 0.042 0.000 1.088 463 I CA 1.501 62.883 61.300 0.136 0.000 1.357 463 I CB -0.469 37.580 38.000 0.081 0.000 1.051 463 I HN 0.292 nan 8.210 nan 0.000 0.409 464 E N 1.119 121.387 120.200 0.114 0.000 2.049 464 E HA -0.274 4.076 4.350 -0.000 0.000 0.198 464 E C 2.412 179.013 176.600 0.001 0.000 1.007 464 E CA 1.391 57.846 56.400 0.091 0.000 0.809 464 E CB 0.067 29.862 29.700 0.159 0.000 0.749 464 E HN 0.278 nan 8.360 nan 0.000 0.450 465 R N -0.186 120.293 120.500 -0.035 0.000 2.096 465 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 465 R C 2.343 178.579 176.300 -0.107 0.000 1.127 465 R CA 0.754 56.808 56.100 -0.076 0.000 0.968 465 R CB -0.458 29.769 30.300 -0.122 0.000 0.861 465 R HN 0.257 nan 8.270 nan 0.000 0.440 466 L N -0.788 120.345 121.223 -0.150 0.000 2.307 466 L HA -0.018 4.322 4.340 -0.000 0.000 0.211 466 L C 1.767 178.340 176.870 -0.496 0.000 1.099 466 L CA 1.454 56.096 54.840 -0.331 0.000 0.816 466 L CB -0.201 41.624 42.059 -0.391 0.000 0.952 466 L HN 0.213 nan 8.230 nan 0.000 0.455 467 H N -2.044 116.953 119.070 -0.121 0.000 3.457 467 H HA 0.475 5.031 4.556 -0.000 0.000 0.255 467 H C 0.846 176.096 175.328 -0.130 0.000 1.082 467 H CA 0.649 56.614 56.048 -0.139 0.000 1.189 467 H CB 0.930 30.574 29.762 -0.196 0.000 1.511 467 H HN 0.120 nan 8.280 nan 0.000 0.527 468 G N 1.046 109.838 108.800 -0.014 0.000 2.690 468 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.686 468 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.686 468 G C 0.631 175.506 174.900 -0.041 0.000 1.277 468 G CA -0.136 44.955 45.100 -0.014 0.000 0.799 468 G HN 0.201 nan 8.290 nan 0.000 0.613 469 L N 1.066 122.324 121.223 0.058 0.000 2.127 469 L HA -0.153 4.186 4.340 -0.000 0.000 0.211 469 L C 3.239 180.173 176.870 0.107 0.000 1.089 469 L CA 2.504 57.460 54.840 0.193 0.000 0.757 469 L CB -0.439 41.762 42.059 0.237 0.000 0.899 469 L HN 1.022 nan 8.230 nan 0.000 0.434 470 S N -0.190 115.517 115.700 0.012 0.000 2.440 470 S HA -0.184 4.286 4.470 -0.000 0.000 0.238 470 S C 2.017 176.544 174.600 -0.120 0.000 1.010 470 S CA 0.847 59.034 58.200 -0.021 0.000 0.972 470 S CB -0.380 62.798 63.200 -0.037 0.000 0.774 470 S HN 0.390 nan 8.310 nan 0.000 0.501 471 A N 0.425 123.076 122.820 -0.281 0.000 2.125 471 A HA 0.181 4.501 4.320 -0.000 0.000 0.219 471 A C 1.399 178.736 177.584 -0.413 0.000 1.156 471 A CA 0.872 52.641 52.037 -0.448 0.000 0.671 471 A CB -0.801 17.823 19.000 -0.627 0.000 0.794 471 A HN 0.618 nan 8.150 nan 0.000 0.459 472 F N -0.410 119.546 119.950 0.010 0.000 2.727 472 F HA 0.148 4.675 4.527 -0.000 0.000 0.302 472 F C 1.798 177.636 175.800 0.063 0.000 1.097 472 F CA 0.552 58.583 58.000 0.053 0.000 1.330 472 F CB 0.243 39.313 39.000 0.117 0.000 1.084 472 F HN 0.252 nan 8.300 nan 0.000 0.578 473 S N -1.180 114.612 115.700 0.153 0.000 2.960 473 S HA 0.301 4.771 4.470 -0.000 0.000 0.256 473 S C -0.025 174.631 174.600 0.093 0.000 1.017 473 S CA -0.368 57.918 58.200 0.142 0.000 1.144 473 S CB -0.558 62.723 63.200 0.136 0.000 1.109 473 S HN 0.049 nan 8.310 nan 0.000 0.638 474 L N 4.522 125.717 121.223 -0.046 0.000 2.453 474 L HA 0.398 4.738 4.340 -0.000 0.000 0.272 474 L C 0.794 177.514 176.870 -0.250 0.000 1.182 474 L CA 0.071 54.755 54.840 -0.260 0.000 0.858 474 L CB 0.167 41.947 42.059 -0.465 0.000 1.120 474 L HN 0.601 nan 8.230 nan 0.000 0.474 475 H N -0.067 118.759 119.070 -0.406 0.000 2.942 475 H HA 0.259 4.815 4.556 -0.000 0.000 0.316 475 H C -0.216 174.913 175.328 -0.332 0.000 1.323 475 H CA -0.808 55.053 56.048 -0.312 0.000 1.144 475 H CB 1.443 31.160 29.762 -0.076 0.000 1.866 475 H HN 0.468 nan 8.280 nan 0.000 0.545 476 S N -0.352 115.342 115.700 -0.010 0.000 3.628 476 S HA -0.222 4.248 4.470 -0.000 0.000 0.373 476 S C -0.394 174.183 174.600 -0.038 0.000 0.968 476 S CA 0.498 58.722 58.200 0.041 0.000 1.215 476 S CB -2.624 60.624 63.200 0.081 0.000 0.912 476 S HN 0.474 nan 8.310 nan 0.000 0.495 477 Y N 2.020 122.352 120.300 0.052 0.000 2.459 477 Y HA 0.230 4.780 4.550 -0.000 0.000 0.349 477 Y C 1.466 177.410 175.900 0.072 0.000 1.266 477 Y CA 0.542 58.674 58.100 0.053 0.000 1.483 477 Y CB 0.339 38.823 38.460 0.040 0.000 1.362 477 Y HN 0.535 nan 8.280 nan 0.000 0.628 478 S N 1.289 117.136 115.700 0.245 0.000 2.592 478 S HA 0.213 4.683 4.470 -0.000 0.000 0.271 478 S C -2.027 172.651 174.600 0.129 0.000 1.326 478 S CA -1.172 57.114 58.200 0.144 0.000 1.024 478 S CB 1.410 64.670 63.200 0.101 0.000 0.921 478 S HN 0.417 nan 8.310 nan 0.000 0.527 479 P HA 0.006 nan 4.420 nan 0.000 0.215 479 P C 1.735 179.073 177.300 0.063 0.000 1.153 479 P CA 1.632 64.777 63.100 0.075 0.000 0.853 479 P CB -0.460 31.275 31.700 0.058 0.000 0.788 480 G N -0.011 108.822 108.800 0.056 0.000 2.421 480 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.216 480 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.216 480 G C 1.671 176.597 174.900 0.044 0.000 1.171 480 G CA 1.041 46.165 45.100 0.040 0.000 0.775 480 G HN 0.277 nan 8.290 nan 0.000 0.543 481 E N 0.744 120.987 120.200 0.071 0.000 2.028 481 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 481 E C 2.439 179.080 176.600 0.068 0.000 0.988 481 E CA 0.903 57.355 56.400 0.086 0.000 0.799 481 E CB -0.464 29.333 29.700 0.162 0.000 0.755 481 E HN 0.484 nan 8.360 nan 0.000 0.447 482 I N 0.889 121.507 120.570 0.079 0.000 2.151 482 I HA -0.324 3.846 4.170 -0.000 0.000 0.243 482 I C 1.881 178.022 176.117 0.040 0.000 1.080 482 I CA 1.346 62.681 61.300 0.057 0.000 1.339 482 I CB -0.493 37.557 38.000 0.083 0.000 1.039 482 I HN 0.170 nan 8.210 nan 0.000 0.409 483 N N 0.567 119.291 118.700 0.040 0.000 2.166 483 N HA -0.202 4.537 4.740 -0.000 0.000 0.186 483 N C 1.869 177.386 175.510 0.011 0.000 1.019 483 N CA 1.147 54.213 53.050 0.027 0.000 0.856 483 N CB -0.412 38.091 38.487 0.027 0.000 0.993 483 N HN 0.335 nan 8.380 nan 0.000 0.426 484 R N 0.543 121.045 120.500 0.003 0.000 2.090 484 R HA 0.018 4.357 4.340 -0.000 0.000 0.228 484 R C 1.707 177.977 176.300 -0.051 0.000 1.110 484 R CA 0.711 56.795 56.100 -0.026 0.000 0.973 484 R CB -0.041 30.238 30.300 -0.035 0.000 0.869 484 R HN -0.019 nan 8.270 nan 0.000 0.440 485 V N 1.102 120.995 119.914 -0.035 0.000 2.295 485 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 485 V C 2.496 178.576 176.094 -0.023 0.000 1.049 485 V CA 1.948 64.220 62.300 -0.048 0.000 1.024 485 V CB -0.836 30.988 31.823 0.002 0.000 0.648 485 V HN 0.522 nan 8.190 nan 0.000 0.447 486 A N -0.373 122.450 122.820 0.005 0.000 1.908 486 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 486 A C 2.576 180.171 177.584 0.019 0.000 1.181 486 A CA 2.390 54.441 52.037 0.024 0.000 0.627 486 A CB -0.874 18.146 19.000 0.034 0.000 0.818 486 A HN 0.511 nan 8.150 nan 0.000 0.445 487 S N -1.254 114.449 115.700 0.006 0.000 2.382 487 S HA -0.215 4.255 4.470 -0.000 0.000 0.228 487 S C 2.083 176.684 174.600 0.001 0.000 1.027 487 S CA 1.669 59.872 58.200 0.005 0.000 0.991 487 S CB -0.975 62.222 63.200 -0.004 0.000 0.823 487 S HN 0.797 nan 8.310 nan 0.000 0.469 488 C N 1.429 120.714 119.300 -0.026 0.000 2.446 488 C HA 0.095 4.555 4.460 -0.000 0.000 0.277 488 C C 2.498 177.486 174.990 -0.003 0.000 1.275 488 C CA 0.806 59.801 59.018 -0.039 0.000 1.727 488 C CB -1.714 25.959 27.740 -0.111 0.000 2.010 488 C HN 0.690 nan 8.230 nan 0.000 0.486 489 L N 0.514 121.742 121.223 0.008 0.000 2.017 489 L HA -0.126 4.213 4.340 -0.000 0.000 0.208 489 L C 3.046 179.948 176.870 0.052 0.000 1.073 489 L CA 1.790 56.653 54.840 0.039 0.000 0.745 489 L CB -1.003 41.097 42.059 0.068 0.000 0.894 489 L HN 0.340 nan 8.230 nan 0.000 0.432 490 R N 0.399 120.934 120.500 0.058 0.000 2.091 490 R HA -0.205 4.135 4.340 -0.000 0.000 0.238 490 R C 2.434 178.816 176.300 0.136 0.000 1.136 490 R CA 1.598 57.748 56.100 0.083 0.000 0.959 490 R CB -0.318 30.021 30.300 0.064 0.000 0.856 490 R HN 0.320 nan 8.270 nan 0.000 0.437 491 K N 0.405 120.868 120.400 0.106 0.000 2.057 491 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 491 K C 1.615 178.360 176.600 0.242 0.000 1.049 491 K CA 1.165 57.528 56.287 0.127 0.000 0.931 491 K CB 0.102 32.642 32.500 0.067 0.000 0.714 491 K HN 0.043 nan 8.250 nan 0.000 0.440 492 L N 0.012 121.334 121.223 0.165 0.000 2.529 492 L HA 0.201 4.541 4.340 -0.000 0.000 0.223 492 L C 0.867 177.702 176.870 -0.058 0.000 1.113 492 L CA 1.375 56.293 54.840 0.131 0.000 0.861 492 L CB -0.025 42.070 42.059 0.061 0.000 1.012 492 L HN 0.514 nan 8.230 nan 0.000 0.461 493 G N 0.282 108.977 108.800 -0.174 0.000 2.256 493 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.272 493 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.272 493 G C 0.113 174.893 174.900 -0.199 0.000 1.076 493 G CA 0.263 45.058 45.100 -0.509 0.000 0.882 493 G HN 0.107 nan 8.290 nan 0.000 0.497 494 V N 0.946 120.843 119.914 -0.028 0.000 2.546 494 V HA 0.377 4.496 4.120 -0.000 0.000 0.284 494 V C -1.048 175.137 176.094 0.151 0.000 1.050 494 V CA -1.421 60.944 62.300 0.108 0.000 0.981 494 V CB 1.324 33.240 31.823 0.154 0.000 0.990 494 V HN 0.226 nan 8.190 nan 0.000 0.474 495 P HA 0.074 nan 4.420 nan 0.000 0.266 495 P C -2.451 174.979 177.300 0.216 0.000 1.186 495 P CA -0.587 62.549 63.100 0.059 0.000 0.767 495 P CB -0.253 31.299 31.700 -0.247 0.000 0.820 496 P HA 0.072 nan 4.420 nan 0.000 0.272 496 P C 0.806 178.285 177.300 0.298 0.000 1.230 496 P CA -0.042 63.167 63.100 0.181 0.000 0.788 496 P CB 0.724 32.483 31.700 0.098 0.000 0.949 497 L N 0.784 122.190 121.223 0.305 0.000 2.261 497 L HA -0.189 4.151 4.340 -0.000 0.000 0.216 497 L C 2.775 179.838 176.870 0.322 0.000 1.114 497 L CA 1.359 56.414 54.840 0.359 0.000 0.777 497 L CB -0.732 41.450 42.059 0.204 0.000 0.910 497 L HN 0.441 nan 8.230 nan 0.000 0.440 498 R N -0.531 120.096 120.500 0.212 0.000 2.075 498 R HA -0.093 4.247 4.340 -0.000 0.000 0.232 498 R C 2.042 178.427 176.300 0.141 0.000 1.126 498 R CA 1.322 57.522 56.100 0.167 0.000 0.963 498 R CB -1.086 29.276 30.300 0.104 0.000 0.858 498 R HN 0.165 nan 8.270 nan 0.000 0.435 499 V N 0.703 120.654 119.914 0.062 0.000 2.343 499 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 499 V C 1.947 178.000 176.094 -0.068 0.000 1.051 499 V CA 1.737 63.995 62.300 -0.069 0.000 1.036 499 V CB -0.701 30.978 31.823 -0.241 0.000 0.654 499 V HN 0.362 nan 8.190 nan 0.000 0.451 500 W N 0.033 121.435 121.300 0.169 0.000 2.392 500 W HA -0.108 4.552 4.660 -0.000 0.000 0.279 500 W C 2.701 179.405 176.519 0.308 0.000 1.225 500 W CA 1.316 58.797 57.345 0.227 0.000 1.233 500 W CB -0.252 29.346 29.460 0.230 0.000 1.122 500 W HN 0.066 nan 8.180 nan 0.000 0.561 501 R N -0.213 120.569 120.500 0.470 0.000 2.075 501 R HA -0.210 4.130 4.340 -0.000 0.000 0.232 501 R C 2.145 178.527 176.300 0.138 0.000 1.126 501 R CA 2.019 58.331 56.100 0.353 0.000 0.963 501 R CB -0.619 29.877 30.300 0.326 0.000 0.858 501 R HN 0.286 nan 8.270 nan 0.000 0.435 502 H N 0.442 119.542 119.070 0.051 0.000 2.293 502 H HA -0.054 4.502 4.556 -0.000 0.000 0.300 502 H C 1.954 177.255 175.328 -0.046 0.000 1.082 502 H CA 2.146 58.181 56.048 -0.021 0.000 1.308 502 H CB 0.011 29.749 29.762 -0.040 0.000 1.375 502 H HN 0.105 nan 8.280 nan 0.000 0.495 503 R N 0.070 120.426 120.500 -0.240 0.000 2.091 503 R HA -0.097 4.243 4.340 -0.000 0.000 0.238 503 R C 2.618 178.779 176.300 -0.230 0.000 1.136 503 R CA 1.163 57.098 56.100 -0.275 0.000 0.959 503 R CB -0.426 29.830 30.300 -0.072 0.000 0.856 503 R HN 0.452 nan 8.270 nan 0.000 0.437 504 A N 1.339 124.096 122.820 -0.106 0.000 1.898 504 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 504 A C 2.088 179.396 177.584 -0.461 0.000 1.181 504 A CA 1.095 52.967 52.037 -0.275 0.000 0.620 504 A CB -0.347 18.564 19.000 -0.147 0.000 0.819 504 A HN 0.205 nan 8.150 nan 0.000 0.442 505 R N -0.518 119.771 120.500 -0.350 0.000 2.091 505 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 505 R C 2.668 178.785 176.300 -0.305 0.000 1.136 505 R CA 1.607 57.527 56.100 -0.300 0.000 0.959 505 R CB -0.498 29.687 30.300 -0.192 0.000 0.856 505 R HN 0.595 nan 8.270 nan 0.000 0.437 506 S N 0.348 115.830 115.700 -0.364 0.000 2.348 506 S HA -0.111 4.359 4.470 -0.000 0.000 0.221 506 S C 2.105 176.538 174.600 -0.277 0.000 1.033 506 S CA 1.420 59.436 58.200 -0.307 0.000 1.010 506 S CB -0.204 62.776 63.200 -0.366 0.000 0.891 506 S HN 0.116 nan 8.310 nan 0.000 0.442 507 V N 2.811 122.512 119.914 -0.354 0.000 2.255 507 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 507 V C 2.769 178.608 176.094 -0.426 0.000 1.051 507 V CA 2.385 64.449 62.300 -0.392 0.000 1.018 507 V CB -0.946 30.537 31.823 -0.568 0.000 0.641 507 V HN 0.526 nan 8.190 nan 0.000 0.445 508 R N 0.200 120.357 120.500 -0.572 0.000 2.115 508 R HA -0.270 4.070 4.340 -0.000 0.000 0.239 508 R C 2.313 178.502 176.300 -0.185 0.000 1.133 508 R CA 2.210 58.104 56.100 -0.343 0.000 0.935 508 R CB -0.612 29.513 30.300 -0.291 0.000 0.853 508 R HN 0.494 nan 8.270 nan 0.000 0.433 509 A N 0.929 123.641 122.820 -0.180 0.000 1.883 509 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 509 A C 2.237 179.769 177.584 -0.087 0.000 1.186 509 A CA 1.770 53.737 52.037 -0.117 0.000 0.624 509 A CB -0.491 18.442 19.000 -0.113 0.000 0.822 509 A HN 0.430 nan 8.150 nan 0.000 0.444 510 R N -0.648 119.795 120.500 -0.097 0.000 2.096 510 R HA -0.002 4.338 4.340 -0.000 0.000 0.235 510 R C 2.067 178.352 176.300 -0.025 0.000 1.127 510 R CA 1.374 57.440 56.100 -0.057 0.000 0.968 510 R CB -0.486 29.779 30.300 -0.059 0.000 0.861 510 R HN 0.507 nan 8.270 nan 0.000 0.440 511 L N 0.029 121.235 121.223 -0.028 0.000 2.046 511 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 511 L C 2.049 178.928 176.870 0.015 0.000 1.077 511 L CA 0.731 55.584 54.840 0.023 0.000 0.747 511 L CB -0.365 41.716 42.059 0.037 0.000 0.896 511 L HN 0.151 nan 8.230 nan 0.000 0.432 512 L N -0.417 120.798 121.223 -0.014 0.000 2.042 512 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 512 L C 2.558 179.424 176.870 -0.007 0.000 1.076 512 L CA 1.621 56.453 54.840 -0.013 0.000 0.749 512 L CB -1.101 40.937 42.059 -0.035 0.000 0.893 512 L HN 0.141 nan 8.230 nan 0.000 0.432 513 S N -1.360 114.332 115.700 -0.013 0.000 2.584 513 S HA -0.184 4.286 4.470 -0.000 0.000 0.240 513 S C 1.761 176.364 174.600 0.004 0.000 0.975 513 S CA 0.649 58.844 58.200 -0.008 0.000 0.949 513 S CB -0.166 63.026 63.200 -0.014 0.000 0.761 513 S HN 0.478 nan 8.310 nan 0.000 0.536 514 Q N 0.058 119.867 119.800 0.014 0.000 2.350 514 Q HA 0.344 4.684 4.340 -0.000 0.000 0.225 514 Q C 0.902 176.918 176.000 0.028 0.000 0.878 514 Q CA 0.389 56.207 55.803 0.025 0.000 0.935 514 Q CB 0.492 29.255 28.738 0.041 0.000 1.099 514 Q HN 0.482 nan 8.270 nan 0.000 0.527 515 G N -0.562 108.253 108.800 0.025 0.000 2.877 515 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.279 515 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.279 515 G C 0.529 175.449 174.900 0.034 0.000 1.431 515 G CA -0.494 44.621 45.100 0.024 0.000 0.883 515 G HN 0.942 nan 8.290 nan 0.000 0.547 516 G N -0.525 108.293 108.800 0.030 0.000 2.594 516 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.297 516 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.297 516 G C 1.299 176.225 174.900 0.043 0.000 1.273 516 G CA 1.477 46.597 45.100 0.033 0.000 0.974 516 G HN 1.457 nan 8.290 nan 0.000 0.552 517 R N 0.137 120.666 120.500 0.047 0.000 2.103 517 R HA -0.072 4.268 4.340 -0.000 0.000 0.242 517 R C 3.241 179.593 176.300 0.086 0.000 1.142 517 R CA 2.157 58.291 56.100 0.058 0.000 0.960 517 R CB -0.738 29.600 30.300 0.064 0.000 0.858 517 R HN 0.719 nan 8.270 nan 0.000 0.439 518 A N 1.296 124.175 122.820 0.099 0.000 1.908 518 A HA -0.174 4.145 4.320 -0.000 0.000 0.218 518 A C 2.399 180.038 177.584 0.092 0.000 1.181 518 A CA 1.885 53.996 52.037 0.124 0.000 0.627 518 A CB -0.651 18.417 19.000 0.114 0.000 0.818 518 A HN 0.426 nan 8.150 nan 0.000 0.445 519 A N -1.052 121.806 122.820 0.064 0.000 1.933 519 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 519 A C 2.289 179.910 177.584 0.061 0.000 1.175 519 A CA 2.263 54.328 52.037 0.047 0.000 0.628 519 A CB -1.275 17.745 19.000 0.032 0.000 0.814 519 A HN 0.459 nan 8.150 nan 0.000 0.444 520 T N -0.609 113.992 114.554 0.078 0.000 2.720 520 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 520 T C 1.916 176.689 174.700 0.122 0.000 1.037 520 T CA 1.583 63.757 62.100 0.123 0.000 1.144 520 T CB -0.781 68.110 68.868 0.039 0.000 0.864 520 T HN 0.576 nan 8.240 nan 0.000 0.444 521 C N 1.396 120.733 119.300 0.063 0.000 2.413 521 C HA 0.006 4.466 4.460 -0.000 0.000 0.277 521 C C 3.153 178.155 174.990 0.019 0.000 1.228 521 C CA 0.604 59.621 59.018 -0.002 0.000 1.731 521 C CB -1.588 26.157 27.740 0.009 0.000 2.042 521 C HN 0.741 nan 8.230 nan 0.000 0.468 522 G N 0.051 108.898 108.800 0.078 0.000 2.476 522 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.218 522 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.218 522 G C 1.626 176.562 174.900 0.059 0.000 1.164 522 G CA 1.357 46.527 45.100 0.117 0.000 0.768 522 G HN 0.648 nan 8.290 nan 0.000 0.560 523 K N -0.865 119.529 120.400 -0.009 0.000 2.009 523 K HA -0.121 4.199 4.320 -0.000 0.000 0.210 523 K C 2.298 178.729 176.600 -0.281 0.000 1.049 523 K CA 1.464 57.665 56.287 -0.143 0.000 0.929 523 K CB -0.291 32.114 32.500 -0.158 0.000 0.714 523 K HN 0.423 nan 8.250 nan 0.000 0.440 524 Y N 0.588 120.732 120.300 -0.260 0.000 2.176 524 Y HA -0.039 4.510 4.550 -0.000 0.000 0.291 524 Y C 2.033 177.712 175.900 -0.368 0.000 1.122 524 Y CA 0.995 58.783 58.100 -0.519 0.000 1.128 524 Y CB -0.063 37.832 38.460 -0.942 0.000 1.005 524 Y HN -0.030 nan 8.280 nan 0.000 0.509 525 L N -1.982 119.140 121.223 -0.169 0.000 2.217 525 L HA -0.100 4.240 4.340 -0.000 0.000 0.211 525 L C 0.645 177.291 176.870 -0.372 0.000 1.107 525 L CA 1.080 55.756 54.840 -0.273 0.000 0.783 525 L CB -0.259 41.384 42.059 -0.694 0.000 0.919 525 L HN 0.156 nan 8.230 nan 0.000 0.442 526 F N -1.621 118.314 119.950 -0.025 0.000 2.735 526 F HA 0.191 4.718 4.527 -0.000 0.000 0.308 526 F C 1.606 177.124 175.800 -0.469 0.000 1.112 526 F CA -0.444 57.353 58.000 -0.339 0.000 1.235 526 F CB -0.457 38.335 39.000 -0.345 0.000 1.027 526 F HN -0.088 nan 8.300 nan 0.000 0.528 527 N N 1.166 119.816 118.700 -0.083 0.000 2.272 527 N HA -0.208 4.532 4.740 -0.000 0.000 0.185 527 N C 1.974 177.465 175.510 -0.031 0.000 1.014 527 N CA 1.770 54.776 53.050 -0.074 0.000 0.870 527 N CB -0.205 38.256 38.487 -0.044 0.000 0.975 527 N HN 0.536 nan 8.380 nan 0.000 0.433 528 W N -0.454 120.891 121.300 0.076 0.000 2.525 528 W HA 0.147 4.807 4.660 -0.000 0.000 0.259 528 W C 1.394 177.975 176.519 0.102 0.000 1.253 528 W CA 0.657 58.055 57.345 0.088 0.000 1.262 528 W CB -0.847 28.677 29.460 0.105 0.000 1.122 528 W HN 0.047 nan 8.180 nan 0.000 0.607 529 A N 1.351 123.758 122.820 -0.687 0.000 1.930 529 A HA 0.104 4.423 4.320 -0.000 0.000 0.215 529 A C 1.228 178.675 177.584 -0.229 0.000 1.176 529 A CA 0.986 52.626 52.037 -0.663 0.000 0.632 529 A CB -0.794 17.625 19.000 -0.969 0.000 0.819 529 A HN 0.056 nan 8.150 nan 0.000 0.445 530 V N 0.091 119.894 119.914 -0.186 0.000 2.567 530 V HA 0.262 4.381 4.120 -0.000 0.000 0.289 530 V C 0.878 176.944 176.094 -0.047 0.000 1.049 530 V CA -0.343 61.895 62.300 -0.104 0.000 0.969 530 V CB 1.430 33.186 31.823 -0.113 0.000 0.995 530 V HN 0.555 nan 8.190 nan 0.000 0.471 531 K N 2.282 122.664 120.400 -0.029 0.000 2.137 531 K HA 0.018 4.338 4.320 -0.000 0.000 0.202 531 K C 1.067 177.652 176.600 -0.025 0.000 1.052 531 K CA 1.108 57.386 56.287 -0.015 0.000 0.961 531 K CB -0.033 32.463 32.500 -0.007 0.000 0.741 531 K HN 0.719 nan 8.250 nan 0.000 0.452 532 T N 2.596 117.130 114.554 -0.033 0.000 3.455 532 T HA 0.100 4.450 4.350 -0.000 0.000 0.286 532 T C -0.717 173.955 174.700 -0.047 0.000 1.157 532 T CA -0.453 61.625 62.100 -0.037 0.000 1.090 532 T CB -0.332 68.515 68.868 -0.035 0.000 1.112 532 T HN -0.020 nan 8.240 nan 0.000 0.779 533 K N 4.419 124.793 120.400 -0.045 0.000 2.339 533 K HA 0.333 4.653 4.320 -0.000 0.000 0.286 533 K C 0.330 176.891 176.600 -0.065 0.000 1.050 533 K CA -0.504 55.751 56.287 -0.054 0.000 0.956 533 K CB 1.159 33.638 32.500 -0.036 0.000 0.990 533 K HN 0.508 nan 8.250 nan 0.000 0.475 534 L N 2.088 123.256 121.223 -0.091 0.000 2.474 534 L HA 0.110 4.450 4.340 -0.000 0.000 0.259 534 L C 0.461 177.262 176.870 -0.114 0.000 1.232 534 L CA -0.347 54.428 54.840 -0.107 0.000 0.821 534 L CB 0.116 42.090 42.059 -0.142 0.000 1.108 534 L HN 0.437 nan 8.230 nan 0.000 0.495 535 K N 1.669 122.006 120.400 -0.104 0.000 2.248 535 K HA 0.419 4.739 4.320 -0.000 0.000 0.281 535 K C -1.082 175.440 176.600 -0.130 0.000 1.054 535 K CA -0.025 56.211 56.287 -0.085 0.000 0.903 535 K CB 0.423 32.896 32.500 -0.045 0.000 1.077 535 K HN 0.343 nan 8.250 nan 0.000 0.474 536 L N 4.687 125.834 121.223 -0.128 0.000 2.264 536 L HA 0.410 4.749 4.340 -0.000 0.000 0.289 536 L C 0.349 177.253 176.870 0.056 0.000 1.044 536 L CA -0.650 54.088 54.840 -0.170 0.000 0.807 536 L CB 1.203 43.141 42.059 -0.203 0.000 1.192 536 L HN 0.774 nan 8.230 nan 0.000 0.425 537 T N 0.506 115.153 114.554 0.155 0.000 2.942 537 T HA 0.589 4.939 4.350 -0.000 0.000 0.289 537 T C -2.737 172.090 174.700 0.211 0.000 1.044 537 T CA -2.533 59.662 62.100 0.159 0.000 1.023 537 T CB 1.771 70.699 68.868 0.101 0.000 1.123 537 T HN 0.160 nan 8.240 nan 0.000 0.512 538 P HA 0.216 nan 4.420 nan 0.000 0.263 538 P C -0.387 176.922 177.300 0.016 0.000 1.195 538 P CA -0.104 63.040 63.100 0.074 0.000 0.762 538 P CB -0.089 31.641 31.700 0.049 0.000 0.799 539 I N 6.535 127.055 120.570 -0.083 0.000 2.598 539 I HA 0.078 4.248 4.170 -0.000 0.000 0.284 539 I C -1.404 174.660 176.117 -0.088 0.000 1.140 539 I CA -1.629 59.568 61.300 -0.172 0.000 1.420 539 I CB 0.019 37.805 38.000 -0.357 0.000 1.387 539 I HN 0.247 nan 8.210 nan 0.000 0.553 540 P HA 0.099 nan 4.420 nan 0.000 0.272 540 P C 0.305 177.574 177.300 -0.052 0.000 1.230 540 P CA -0.046 63.030 63.100 -0.041 0.000 0.788 540 P CB 1.040 32.726 31.700 -0.023 0.000 0.949 541 A N 0.574 123.369 122.820 -0.042 0.000 2.945 541 A HA -0.229 4.091 4.320 -0.000 0.000 0.263 541 A C 1.634 179.181 177.584 -0.062 0.000 1.293 541 A CA 1.449 53.459 52.037 -0.045 0.000 0.944 541 A CB -2.485 16.492 19.000 -0.038 0.000 1.093 541 A HN 0.701 nan 8.150 nan 0.000 0.786 542 A N -1.337 121.441 122.820 -0.069 0.000 1.975 542 A HA 0.275 4.595 4.320 -0.000 0.000 0.215 542 A C 2.236 179.776 177.584 -0.074 0.000 1.170 542 A CA 1.993 53.982 52.037 -0.081 0.000 0.656 542 A CB -0.530 18.423 19.000 -0.078 0.000 0.821 542 A HN 1.012 nan 8.150 nan 0.000 0.449 543 S N -0.771 114.896 115.700 -0.054 0.000 2.368 543 S HA -0.089 4.381 4.470 -0.000 0.000 0.224 543 S C 1.457 176.029 174.600 -0.048 0.000 1.029 543 S CA 0.713 58.886 58.200 -0.045 0.000 0.988 543 S CB -0.145 63.037 63.200 -0.030 0.000 0.838 543 S HN 0.655 nan 8.310 nan 0.000 0.462 544 Q N 1.013 120.785 119.800 -0.046 0.000 3.247 544 Q HA 0.314 4.654 4.340 -0.000 0.000 0.326 544 Q C -1.441 174.524 176.000 -0.058 0.000 1.402 544 Q CA -0.107 55.670 55.803 -0.043 0.000 0.994 544 Q CB -0.213 28.506 28.738 -0.032 0.000 1.647 544 Q HN 0.205 nan 8.270 nan 0.000 0.523 545 L N 0.950 122.126 121.223 -0.078 0.000 2.470 545 L HA 0.382 4.722 4.340 -0.000 0.000 0.268 545 L C -1.330 175.461 176.870 -0.132 0.000 0.964 545 L CA -0.475 54.299 54.840 -0.111 0.000 0.839 545 L CB 2.029 44.001 42.059 -0.145 0.000 1.276 545 L HN -0.012 nan 8.230 nan 0.000 0.403 546 D N 5.030 125.356 120.400 -0.122 0.000 2.422 546 D HA 0.246 4.886 4.640 -0.000 0.000 0.227 546 D C 0.319 176.504 176.300 -0.190 0.000 1.190 546 D CA 0.225 54.160 54.000 -0.108 0.000 0.905 546 D CB 0.594 41.364 40.800 -0.050 0.000 1.034 546 D HN 0.624 nan 8.370 nan 0.000 0.507 547 L N 1.965 123.036 121.223 -0.253 0.000 2.818 547 L HA 0.157 4.497 4.340 -0.000 0.000 0.243 547 L C 0.672 177.492 176.870 -0.084 0.000 1.185 547 L CA -0.237 54.339 54.840 -0.439 0.000 0.988 547 L CB 0.225 41.905 42.059 -0.631 0.000 1.292 547 L HN 0.084 nan 8.230 nan 0.000 0.519 548 S N 0.472 116.164 115.700 -0.013 0.000 2.549 548 S HA 0.321 4.791 4.470 -0.000 0.000 0.286 548 S C 1.264 175.905 174.600 0.068 0.000 1.314 548 S CA 0.772 58.994 58.200 0.037 0.000 1.062 548 S CB 1.062 64.269 63.200 0.013 0.000 0.865 548 S HN 0.664 nan 8.310 nan 0.000 0.498 549 G N 2.125 110.946 108.800 0.035 0.000 2.258 549 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.233 549 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.233 549 G C -0.257 174.658 174.900 0.025 0.000 1.006 549 G CA -0.389 44.642 45.100 -0.115 0.000 0.620 549 G HN 0.601 nan 8.290 nan 0.000 0.511 550 W N 1.282 122.432 121.300 -0.250 0.000 2.287 550 W HA 0.650 5.309 4.660 -0.000 0.000 0.313 550 W C 0.727 177.029 176.519 -0.361 0.000 1.267 550 W CA 0.127 57.113 57.345 -0.598 0.000 1.201 550 W CB -0.545 28.418 29.460 -0.829 0.000 1.196 550 W HN 0.397 nan 8.180 nan 0.000 0.536 551 F N 1.395 121.513 119.950 0.279 0.000 2.983 551 F HA -0.284 4.243 4.527 -0.000 0.000 0.288 551 F C 0.576 176.505 175.800 0.214 0.000 0.980 551 F CA 0.191 58.372 58.000 0.301 0.000 0.965 551 F CB -1.975 37.172 39.000 0.245 0.000 0.967 551 F HN 0.162 nan 8.300 nan 0.000 0.800 552 V N -1.550 118.549 119.914 0.308 0.000 2.743 552 V HA 0.660 4.780 4.120 -0.000 0.000 0.237 552 V C 1.328 177.565 176.094 0.238 0.000 1.113 552 V CA 1.060 63.496 62.300 0.226 0.000 1.141 552 V CB 0.556 32.488 31.823 0.181 0.000 0.873 552 V HN 0.710 nan 8.190 nan 0.000 0.486 553 A N -0.847 122.090 122.820 0.196 0.000 2.602 553 A HA 0.776 5.096 4.320 -0.000 0.000 0.290 553 A C -0.299 177.040 177.584 -0.409 0.000 1.114 553 A CA 0.079 52.098 52.037 -0.030 0.000 0.683 553 A CB 0.994 19.800 19.000 -0.323 0.000 1.281 553 A HN 0.411 nan 8.150 nan 0.000 0.416 554 G N -1.353 106.921 108.800 -0.877 0.000 2.389 554 G HA2 0.548 4.508 3.960 -0.000 0.000 0.317 554 G HA3 0.548 4.508 3.960 -0.000 0.000 0.317 554 G C -0.941 173.340 174.900 -1.031 0.000 1.137 554 G CA -0.110 44.164 45.100 -1.377 0.000 0.870 554 G HN 0.607 nan 8.290 nan 0.000 0.496 555 Y N 0.871 120.972 120.300 -0.332 0.000 2.742 555 Y HA 0.296 4.846 4.550 -0.000 0.000 0.248 555 Y C 1.269 177.090 175.900 -0.131 0.000 1.132 555 Y CA -0.753 57.243 58.100 -0.175 0.000 1.142 555 Y CB 0.549 38.941 38.460 -0.112 0.000 1.222 555 Y HN 0.516 nan 8.280 nan 0.000 0.575 556 S N 0.946 116.613 115.700 -0.054 0.000 2.575 556 S HA 0.283 4.753 4.470 -0.000 0.000 0.295 556 S C 1.485 176.105 174.600 0.033 0.000 1.267 556 S CA 1.437 59.641 58.200 0.005 0.000 1.074 556 S CB 0.032 63.243 63.200 0.019 0.000 0.829 556 S HN 1.098 nan 8.310 nan 0.000 0.497 557 G N 3.547 112.369 108.800 0.036 0.000 2.189 557 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.267 557 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.267 557 G C 0.805 175.732 174.900 0.044 0.000 0.975 557 G CA 0.452 45.576 45.100 0.041 0.000 0.644 557 G HN 1.398 nan 8.290 nan 0.000 0.537 558 G N -0.357 108.473 108.800 0.050 0.000 2.985 558 G HA2 0.382 4.342 3.960 -0.000 0.000 0.209 558 G HA3 0.382 4.342 3.960 -0.000 0.000 0.209 558 G C 0.494 175.405 174.900 0.018 0.000 1.165 558 G CA 1.104 46.248 45.100 0.073 0.000 0.776 558 G HN 1.108 nan 8.290 nan 0.000 0.541 559 D N -0.445 119.929 120.400 -0.042 0.000 2.699 559 D HA -0.158 4.481 4.640 -0.000 0.000 0.239 559 D C -0.078 176.127 176.300 -0.159 0.000 1.136 559 D CA 0.351 54.288 54.000 -0.106 0.000 0.668 559 D CB -1.176 39.575 40.800 -0.081 0.000 1.060 559 D HN 0.110 nan 8.370 nan 0.000 0.429 560 I N 1.173 121.616 120.570 -0.212 0.000 2.412 560 I HA 0.436 4.606 4.170 -0.000 0.000 0.296 560 I C -0.039 175.809 176.117 -0.448 0.000 0.987 560 I CA -0.726 60.339 61.300 -0.391 0.000 1.180 560 I CB 1.340 38.979 38.000 -0.601 0.000 1.340 560 I HN 0.122 nan 8.210 nan 0.000 0.455 561 Y N 5.486 125.376 120.300 -0.683 0.000 2.421 561 Y HA 0.508 5.057 4.550 -0.000 0.000 0.339 561 Y C -0.919 174.585 175.900 -0.659 0.000 0.996 561 Y CA -0.464 57.270 58.100 -0.610 0.000 1.046 561 Y CB 1.528 39.756 38.460 -0.387 0.000 1.226 561 Y HN 0.669 nan 8.280 nan 0.000 0.445 562 H N 0.000 118.459 119.070 -1.018 0.000 2.539 562 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 562 H CA 0.000 55.641 56.048 -0.679 0.000 1.023 562 H CB 0.000 29.466 29.762 -0.492 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496