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 2a74_1_D DATA FIRST_RESID 2 DATA SEQUENCE PMYSIITPNI LRLESEETMV LEAHDAQGDV PVTVTVHDFP GKKLVLSSEK DATA SEQUENCE TVLTPATNHM GNVTFTIPAX XXXXXXXXRN KFVTVQATFG TQVVEKVVLV DATA SEQUENCE SLQSGYLFIQ TDKTIYTPGS TVLYRIFTVN HKLLPVGRTV MVNIENPEGI DATA SEQUENCE PVKQDSLSSQ NQLGVLPLSW DIPELVNMGQ WKIRAYYENS PQQVFSTEFE DATA SEQUENCE VKEYVLPSFE VIVEPTEKFY YIYNEKGLEV TITARFLYGK KVEGTAFVIF DATA SEQUENCE GIQDGEQRIS LPESLKRIPI EDGSGEVVLS RKVLLDGVQN LRAEDLVGKS DATA SEQUENCE LYVSATVILH SGSDMVQAER SGIPIVTSPY QIHFTKTPKY FKPGMPFDLM DATA SEQUENCE VFVTNPDGSP AYRVPVAVQG EDTVQSLTQG DGVAKLSINT HPSQKPLSIT DATA SEQUENCE VRTKKQELSE AEQATRTMQA LPYSTVGNSN NYLHLSVLRT ELRPGETLNV DATA SEQUENCE NFLLRMDRAH EAKIRYYTYL IMNKGRLLKA GRQVREPGQD LVVLPLSITT DATA SEQUENCE DFIPSFRLVA YYTLIGASGQ REVVADSVWV DVKDSCVGSL VVKSGQSEDR DATA SEQUENCE QPVPGQQMTL KIEGDHGARV VLVAVDKGVF VLNKKNKLTQ SKIWDVVEKA DATA SEQUENCE DIGcTPGSGK DYAGVFSDAG LTFTSSSGQQ TAQRAELQcP QP 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.006 177.300 -0.490 0.000 1.155 2 P CA 0.000 62.876 63.100 -0.373 0.000 0.800 2 P CB 0.000 31.422 31.700 -0.463 0.000 0.726 3 M N 3.254 122.625 119.600 -0.382 0.000 2.066 3 M HA 0.375 4.856 4.480 0.001 0.000 0.340 3 M C -1.278 174.810 176.300 -0.353 0.000 1.053 3 M CA -0.528 54.589 55.300 -0.305 0.000 0.983 3 M CB 0.687 33.225 32.600 -0.103 0.000 1.520 3 M HN 0.352 nan 8.290 nan 0.000 0.428 4 Y N 2.419 122.558 120.300 -0.269 0.000 2.316 4 Y HA 0.413 4.964 4.550 0.001 0.000 0.331 4 Y C 0.660 176.286 175.900 -0.458 0.000 1.083 4 Y CA -0.233 57.481 58.100 -0.643 0.000 1.206 4 Y CB 1.025 38.702 38.460 -1.305 0.000 1.195 4 Y HN 0.628 nan 8.280 nan 0.000 0.497 5 S N 3.702 119.293 115.700 -0.181 0.000 2.569 5 S HA 0.765 5.235 4.470 0.001 0.000 0.280 5 S C -1.608 173.015 174.600 0.040 0.000 1.111 5 S CA -0.784 57.343 58.200 -0.122 0.000 0.887 5 S CB 2.271 65.449 63.200 -0.037 0.000 1.095 5 S HN 0.514 nan 8.310 nan 0.000 0.476 6 I N 1.958 122.478 120.570 -0.083 0.000 2.582 6 I HA 0.588 4.759 4.170 0.001 0.000 0.292 6 I C -1.576 174.515 176.117 -0.044 0.000 1.066 6 I CA -1.590 59.742 61.300 0.053 0.000 1.053 6 I CB 1.592 39.660 38.000 0.112 0.000 1.241 6 I HN 0.886 nan 8.210 nan 0.000 0.421 7 I N 6.476 127.094 120.570 0.079 0.000 2.466 7 I HA 0.383 4.553 4.170 0.001 0.000 0.289 7 I C -0.069 176.121 176.117 0.121 0.000 1.026 7 I CA -0.343 61.018 61.300 0.103 0.000 1.078 7 I CB 2.285 40.417 38.000 0.221 0.000 1.249 7 I HN 0.641 nan 8.210 nan 0.000 0.429 8 T N 3.297 117.914 114.554 0.106 0.000 2.864 8 T HA 0.629 4.979 4.350 0.001 0.000 0.289 8 T C -2.944 171.815 174.700 0.098 0.000 1.082 8 T CA -2.440 59.726 62.100 0.109 0.000 1.009 8 T CB 2.150 71.097 68.868 0.133 0.000 1.234 8 T HN 0.082 nan 8.240 nan 0.000 0.526 9 P HA 0.262 nan 4.420 nan 0.000 0.268 9 P C 0.363 177.697 177.300 0.057 0.000 1.208 9 P CA -0.056 63.077 63.100 0.055 0.000 0.777 9 P CB 0.295 32.003 31.700 0.013 0.000 0.875 10 N N 0.644 119.374 118.700 0.050 0.000 2.244 10 N HA -0.027 4.714 4.740 0.001 0.000 0.183 10 N C 0.135 175.662 175.510 0.029 0.000 1.016 10 N CA 0.584 53.661 53.050 0.045 0.000 0.866 10 N CB -0.024 38.486 38.487 0.038 0.000 0.980 10 N HN 0.355 nan 8.380 nan 0.000 0.430 11 I N 1.535 122.109 120.570 0.006 0.000 2.436 11 I HA 0.258 4.428 4.170 0.001 0.000 0.289 11 I C -0.791 175.312 176.117 -0.023 0.000 1.010 11 I CA -0.548 60.740 61.300 -0.021 0.000 1.098 11 I CB 2.119 40.092 38.000 -0.046 0.000 1.266 11 I HN -0.084 nan 8.210 nan 0.000 0.434 12 L N 5.979 127.198 121.223 -0.006 0.000 2.399 12 L HA 0.567 4.908 4.340 0.001 0.000 0.265 12 L C -0.011 176.850 176.870 -0.016 0.000 1.089 12 L CA -0.683 54.163 54.840 0.010 0.000 0.802 12 L CB 1.240 43.353 42.059 0.090 0.000 1.180 12 L HN 0.552 nan 8.230 nan 0.000 0.454 13 R N 1.146 121.636 120.500 -0.017 0.000 2.854 13 R HA 0.687 5.027 4.340 0.001 0.000 0.271 13 R C -1.260 175.054 176.300 0.023 0.000 0.996 13 R CA -0.739 55.358 56.100 -0.005 0.000 0.961 13 R CB 1.834 32.128 30.300 -0.011 0.000 1.182 13 R HN 0.417 nan 8.270 nan 0.000 0.479 14 L N 1.953 123.191 121.223 0.025 0.000 2.325 14 L HA 0.318 4.659 4.340 0.001 0.000 0.279 14 L C 0.302 177.175 176.870 0.005 0.000 1.054 14 L CA -0.212 54.642 54.840 0.023 0.000 0.804 14 L CB 1.311 43.379 42.059 0.015 0.000 1.200 14 L HN 0.787 nan 8.230 nan 0.000 0.436 15 E N -0.328 119.877 120.200 0.008 0.000 3.547 15 E HA -0.197 4.153 4.350 0.001 0.000 0.300 15 E C -0.348 176.242 176.600 -0.017 0.000 0.857 15 E CA 0.803 57.197 56.400 -0.010 0.000 1.039 15 E CB -1.122 28.557 29.700 -0.034 0.000 1.524 15 E HN 0.558 nan 8.360 nan 0.000 0.457 16 S N 0.367 116.062 115.700 -0.008 0.000 2.454 16 S HA 0.294 4.764 4.470 0.001 0.000 0.306 16 S C -0.139 174.426 174.600 -0.058 0.000 1.100 16 S CA -0.813 57.379 58.200 -0.013 0.000 1.087 16 S CB 1.723 64.947 63.200 0.040 0.000 1.019 16 S HN 0.261 nan 8.310 nan 0.000 0.480 17 E N 2.622 122.782 120.200 -0.067 0.000 2.292 17 E HA 0.020 4.371 4.350 0.001 0.000 0.265 17 E C -0.353 176.125 176.600 -0.204 0.000 1.093 17 E CA 0.213 56.539 56.400 -0.122 0.000 0.922 17 E CB 0.324 29.979 29.700 -0.075 0.000 1.001 17 E HN 0.387 nan 8.360 nan 0.000 0.444 18 E N 2.891 122.841 120.200 -0.416 0.000 2.202 18 E HA 0.296 4.646 4.350 0.001 0.000 0.272 18 E C -0.705 175.556 176.600 -0.565 0.000 0.951 18 E CA -0.619 55.462 56.400 -0.532 0.000 0.813 18 E CB 2.069 31.305 29.700 -0.772 0.000 1.151 18 E HN 0.366 nan 8.360 nan 0.000 0.398 19 T N 2.103 116.471 114.554 -0.311 0.000 2.859 19 T HA 0.435 4.786 4.350 0.001 0.000 0.281 19 T C -0.048 174.621 174.700 -0.052 0.000 1.005 19 T CA -0.478 61.527 62.100 -0.158 0.000 1.025 19 T CB 0.747 69.575 68.868 -0.067 0.000 0.977 19 T HN 0.148 nan 8.240 nan 0.000 0.458 20 M N 3.804 123.445 119.600 0.067 0.000 2.125 20 M HA 0.414 4.894 4.480 0.001 0.000 0.321 20 M C -1.121 175.252 176.300 0.121 0.000 0.983 20 M CA -0.749 54.645 55.300 0.157 0.000 0.934 20 M CB 1.431 34.194 32.600 0.272 0.000 1.542 20 M HN 0.307 nan 8.290 nan 0.000 0.424 21 V N 6.331 126.323 119.914 0.130 0.000 2.461 21 V HA 0.379 4.499 4.120 0.001 0.000 0.275 21 V C -0.211 175.988 176.094 0.175 0.000 1.047 21 V CA -0.362 62.022 62.300 0.140 0.000 0.955 21 V CB 1.273 33.194 31.823 0.164 0.000 0.988 21 V HN 0.709 nan 8.190 nan 0.000 0.471 22 L N 5.569 126.896 121.223 0.173 0.000 2.341 22 L HA 0.694 5.035 4.340 0.001 0.000 0.278 22 L C -0.299 176.719 176.870 0.246 0.000 1.005 22 L CA -0.378 54.618 54.840 0.261 0.000 0.818 22 L CB 1.864 44.057 42.059 0.223 0.000 1.259 22 L HN 0.585 nan 8.230 nan 0.000 0.418 23 E N 1.716 122.070 120.200 0.256 0.000 2.314 23 E HA 0.727 5.078 4.350 0.001 0.000 0.272 23 E C -1.185 175.401 176.600 -0.023 0.000 0.884 23 E CA -0.861 55.573 56.400 0.058 0.000 0.753 23 E CB 2.645 32.292 29.700 -0.089 0.000 1.213 23 E HN 0.625 nan 8.360 nan 0.000 0.432 24 A N 3.093 125.868 122.820 -0.076 0.000 2.293 24 A HA 0.376 4.697 4.320 0.001 0.000 0.312 24 A C -1.020 176.385 177.584 -0.298 0.000 1.309 24 A CA -0.678 51.263 52.037 -0.160 0.000 0.839 24 A CB 0.325 19.341 19.000 0.026 0.000 1.155 24 A HN 0.586 nan 8.150 nan 0.000 0.501 25 H N 2.294 121.292 119.070 -0.120 0.000 2.668 25 H HA 0.184 4.740 4.556 0.001 0.000 0.303 25 H C -0.304 174.953 175.328 -0.118 0.000 1.074 25 H CA 0.564 56.604 56.048 -0.013 0.000 1.406 25 H CB 0.937 30.731 29.762 0.054 0.000 1.442 25 H HN 0.890 nan 8.280 nan 0.000 0.482 26 D N -0.074 120.351 120.400 0.041 0.000 2.876 26 D HA -0.143 4.498 4.640 0.001 0.000 0.196 26 D C 0.584 176.815 176.300 -0.115 0.000 1.014 26 D CA 0.876 54.863 54.000 -0.022 0.000 1.012 26 D CB -0.971 39.808 40.800 -0.036 0.000 1.080 26 D HN 0.681 nan 8.370 nan 0.000 0.438 27 A N 0.195 122.861 122.820 -0.256 0.000 2.386 27 A HA 0.377 4.697 4.320 0.001 0.000 0.246 27 A C 0.627 178.067 177.584 -0.239 0.000 1.089 27 A CA 0.396 52.234 52.037 -0.332 0.000 0.790 27 A CB 0.719 19.400 19.000 -0.532 0.000 1.042 27 A HN 0.059 nan 8.150 nan 0.000 0.497 28 Q N -0.456 119.295 119.800 -0.081 0.000 2.394 28 Q HA 0.543 4.883 4.340 0.001 0.000 0.273 28 Q C 0.319 176.413 176.000 0.156 0.000 1.089 28 Q CA 0.398 56.252 55.803 0.085 0.000 0.812 28 Q CB 1.903 30.677 28.738 0.059 0.000 1.353 28 Q HN 1.905 nan 8.270 nan 0.000 0.438 29 G N 2.435 111.371 108.800 0.227 0.000 2.752 29 G HA2 -0.213 3.747 3.960 0.001 0.000 0.234 29 G HA3 -0.213 3.747 3.960 0.001 0.000 0.234 29 G C -0.988 174.084 174.900 0.287 0.000 1.367 29 G CA -0.585 44.627 45.100 0.186 0.000 0.879 29 G HN 0.599 nan 8.290 nan 0.000 0.563 30 D N -0.101 120.397 120.400 0.162 0.000 2.343 30 D HA 0.384 5.025 4.640 0.001 0.000 0.255 30 D C 0.412 176.808 176.300 0.161 0.000 1.187 30 D CA 0.331 54.420 54.000 0.149 0.000 0.875 30 D CB 1.652 42.494 40.800 0.071 0.000 1.136 30 D HN 0.878 nan 8.370 nan 0.000 0.469 31 V N 4.668 124.707 119.914 0.209 0.000 2.313 31 V HA 0.391 4.511 4.120 0.001 0.000 0.278 31 V C -2.537 173.624 176.094 0.111 0.000 1.017 31 V CA -2.109 60.291 62.300 0.166 0.000 0.823 31 V CB 1.615 33.581 31.823 0.238 0.000 1.010 31 V HN 0.344 nan 8.190 nan 0.000 0.443 32 P HA 0.285 nan 4.420 nan 0.000 0.275 32 P C -0.988 176.262 177.300 -0.083 0.000 1.228 32 P CA 0.000 63.094 63.100 -0.011 0.000 0.786 32 P CB 1.544 33.233 31.700 -0.018 0.000 0.927 33 V N 1.903 121.732 119.914 -0.142 0.000 2.577 33 V HA 0.338 4.459 4.120 0.001 0.000 0.303 33 V C 0.246 176.194 176.094 -0.244 0.000 1.042 33 V CA -0.369 61.744 62.300 -0.312 0.000 0.872 33 V CB 1.821 33.369 31.823 -0.459 0.000 0.998 33 V HN 0.482 nan 8.190 nan 0.000 0.423 34 T N 4.344 118.746 114.554 -0.254 0.000 2.756 34 T HA 0.560 4.911 4.350 0.001 0.000 0.290 34 T C -0.370 174.202 174.700 -0.213 0.000 0.985 34 T CA -0.148 61.842 62.100 -0.184 0.000 0.955 34 T CB 1.127 69.918 68.868 -0.127 0.000 0.930 34 T HN 0.424 nan 8.240 nan 0.000 0.451 35 V N 5.510 125.314 119.914 -0.184 0.000 2.427 35 V HA 0.642 4.763 4.120 0.001 0.000 0.286 35 V C 0.592 176.570 176.094 -0.193 0.000 1.034 35 V CA -0.725 61.463 62.300 -0.186 0.000 0.893 35 V CB 1.568 33.293 31.823 -0.162 0.000 0.982 35 V HN 1.054 nan 8.190 nan 0.000 0.452 36 T N 1.750 116.187 114.554 -0.195 0.000 2.916 36 T HA 0.823 5.173 4.350 0.001 0.000 0.292 36 T C -0.867 173.595 174.700 -0.397 0.000 1.055 36 T CA -0.793 61.136 62.100 -0.286 0.000 1.009 36 T CB 1.982 70.727 68.868 -0.206 0.000 1.118 36 T HN 0.277 nan 8.240 nan 0.000 0.497 37 V N 2.038 121.611 119.914 -0.569 0.000 2.604 37 V HA 0.598 4.719 4.120 0.001 0.000 0.305 37 V C -1.085 174.653 176.094 -0.594 0.000 1.043 37 V CA -0.775 61.237 62.300 -0.479 0.000 0.888 37 V CB 1.541 33.091 31.823 -0.454 0.000 0.995 37 V HN 1.058 nan 8.190 nan 0.000 0.429 38 H N 1.348 120.394 119.070 -0.040 0.000 2.821 38 H HA 0.479 5.036 4.556 0.001 0.000 0.373 38 H C -0.793 174.573 175.328 0.064 0.000 1.165 38 H CA -1.063 54.991 56.048 0.009 0.000 1.154 38 H CB 1.051 30.825 29.762 0.020 0.000 1.765 38 H HN 0.746 nan 8.280 nan 0.000 0.549 39 D N 1.299 121.813 120.400 0.189 0.000 2.443 39 D HA -0.065 4.575 4.640 0.001 0.000 0.239 39 D C -0.046 176.412 176.300 0.263 0.000 1.136 39 D CA -0.003 54.109 54.000 0.186 0.000 0.879 39 D CB 0.654 41.527 40.800 0.121 0.000 1.195 39 D HN 0.129 nan 8.370 nan 0.000 0.443 40 F N 1.265 121.276 119.950 0.101 0.000 2.368 40 F HA 0.289 4.816 4.527 0.001 0.000 0.308 40 F C -1.553 174.283 175.800 0.059 0.000 1.198 40 F CA -1.770 56.276 58.000 0.077 0.000 1.130 40 F CB -0.632 38.431 39.000 0.105 0.000 1.300 40 F HN 0.227 nan 8.300 nan 0.000 0.537 41 P HA 0.070 nan 4.420 nan 0.000 0.252 41 P C -0.090 177.080 177.300 -0.216 0.000 1.084 41 P CA 1.593 64.380 63.100 -0.521 0.000 0.762 41 P CB -0.812 30.691 31.700 -0.328 0.000 0.657 42 G N 2.075 110.758 108.800 -0.194 0.000 2.384 42 G HA2 0.009 3.970 3.960 0.001 0.000 0.204 42 G HA3 0.009 3.970 3.960 0.001 0.000 0.204 42 G C -1.182 173.694 174.900 -0.041 0.000 1.237 42 G CA -0.402 44.643 45.100 -0.091 0.000 1.060 42 G HN 0.619 nan 8.290 nan 0.000 0.514 43 K N 0.097 120.491 120.400 -0.009 0.000 2.897 43 K HA 0.297 4.618 4.320 0.001 0.000 0.243 43 K C -0.135 176.511 176.600 0.076 0.000 1.189 43 K CA -0.585 55.719 56.287 0.029 0.000 1.032 43 K CB 0.823 33.275 32.500 -0.080 0.000 1.302 43 K HN 0.279 nan 8.250 nan 0.000 0.568 44 K N 1.208 121.664 120.400 0.094 0.000 2.374 44 K HA 0.204 4.524 4.320 0.001 0.000 0.202 44 K C 0.207 176.847 176.600 0.067 0.000 1.040 44 K CA -0.431 55.895 56.287 0.066 0.000 1.085 44 K CB 0.214 32.738 32.500 0.039 0.000 0.873 44 K HN 0.541 nan 8.250 nan 0.000 0.539 45 L N 0.815 122.098 121.223 0.101 0.000 2.706 45 L HA -0.215 4.125 4.340 0.001 0.000 0.666 45 L C 0.038 176.859 176.870 -0.081 0.000 1.021 45 L CA -0.314 54.530 54.840 0.007 0.000 1.360 45 L CB -0.646 41.457 42.059 0.073 0.000 1.957 45 L HN -0.037 nan 8.230 nan 0.000 0.920 46 V N 2.607 122.443 119.914 -0.130 0.000 2.949 46 V HA 0.242 4.362 4.120 0.001 0.000 0.245 46 V C 0.604 176.633 176.094 -0.108 0.000 1.086 46 V CA 1.137 63.388 62.300 -0.082 0.000 1.097 46 V CB 0.376 32.176 31.823 -0.039 0.000 0.762 46 V HN 0.608 nan 8.190 nan 0.000 0.470 47 L N -0.208 120.893 121.223 -0.203 0.000 2.491 47 L HA 0.568 4.908 4.340 0.001 0.000 0.267 47 L C -0.030 176.679 176.870 -0.269 0.000 0.971 47 L CA 0.238 54.961 54.840 -0.196 0.000 0.857 47 L CB 2.090 44.034 42.059 -0.192 0.000 1.226 47 L HN 0.002 nan 8.230 nan 0.000 0.408 48 S N 0.484 116.074 115.700 -0.184 0.000 2.701 48 S HA 0.234 4.704 4.470 0.001 0.000 0.242 48 S C 0.543 175.078 174.600 -0.108 0.000 1.025 48 S CA -0.402 57.697 58.200 -0.168 0.000 1.016 48 S CB 0.441 63.566 63.200 -0.124 0.000 0.977 48 S HN 0.624 nan 8.310 nan 0.000 0.546 49 S N 2.768 118.415 115.700 -0.089 0.000 2.587 49 S HA 0.355 4.826 4.470 0.001 0.000 0.260 49 S C -0.340 174.223 174.600 -0.062 0.000 1.353 49 S CA -0.048 58.120 58.200 -0.053 0.000 0.995 49 S CB 0.071 63.259 63.200 -0.019 0.000 0.912 49 S HN 0.392 nan 8.310 nan 0.000 0.568 50 E N 0.197 120.375 120.200 -0.036 0.000 7.495 50 E HA -0.058 4.292 4.350 0.001 0.000 0.210 50 E C -1.015 175.552 176.600 -0.054 0.000 0.881 50 E CA 0.152 56.537 56.400 -0.026 0.000 1.662 50 E CB -1.290 28.409 29.700 -0.001 0.000 0.897 50 E HN 0.743 nan 8.360 nan 0.000 0.263 51 K N -0.089 120.285 120.400 -0.044 0.000 2.498 51 K HA 0.847 5.168 4.320 0.001 0.000 0.254 51 K C -0.469 176.106 176.600 -0.042 0.000 0.933 51 K CA -0.745 55.506 56.287 -0.061 0.000 0.806 51 K CB 2.204 34.668 32.500 -0.060 0.000 1.301 51 K HN 0.309 nan 8.250 nan 0.000 0.432 52 T N -0.700 113.824 114.554 -0.050 0.000 2.883 52 T HA 0.569 4.920 4.350 0.001 0.000 0.284 52 T C -0.512 174.173 174.700 -0.025 0.000 1.041 52 T CA -0.920 61.164 62.100 -0.027 0.000 1.007 52 T CB 1.536 70.397 68.868 -0.011 0.000 1.220 52 T HN 0.337 nan 8.240 nan 0.000 0.552 53 V N 1.421 121.332 119.914 -0.004 0.000 2.495 53 V HA 0.392 4.513 4.120 0.001 0.000 0.298 53 V C -0.396 175.721 176.094 0.038 0.000 1.031 53 V CA -0.946 61.364 62.300 0.016 0.000 0.871 53 V CB 1.424 33.254 31.823 0.013 0.000 0.988 53 V HN 0.684 nan 8.190 nan 0.000 0.432 54 L N 5.379 126.658 121.223 0.094 0.000 2.312 54 L HA 0.367 4.707 4.340 0.001 0.000 0.287 54 L C 0.811 177.728 176.870 0.080 0.000 1.091 54 L CA -0.108 54.811 54.840 0.132 0.000 0.846 54 L CB 0.586 42.809 42.059 0.275 0.000 1.219 54 L HN 0.799 nan 8.230 nan 0.000 0.439 55 T N -0.166 114.338 114.554 -0.083 0.000 2.922 55 T HA 0.316 4.667 4.350 0.001 0.000 0.285 55 T C -1.930 172.454 174.700 -0.528 0.000 1.005 55 T CA -1.966 60.013 62.100 -0.203 0.000 1.061 55 T CB 1.744 70.546 68.868 -0.110 0.000 1.007 55 T HN 0.202 nan 8.240 nan 0.000 0.502 56 P HA -0.015 nan 4.420 nan 0.000 0.216 56 P C 1.602 178.750 177.300 -0.255 0.000 1.150 56 P CA 1.218 64.026 63.100 -0.486 0.000 0.837 56 P CB -0.254 31.339 31.700 -0.179 0.000 0.786 57 A N -1.518 121.202 122.820 -0.167 0.000 2.125 57 A HA -0.105 4.215 4.320 0.001 0.000 0.219 57 A C 1.941 179.462 177.584 -0.105 0.000 1.156 57 A CA 1.757 53.732 52.037 -0.104 0.000 0.671 57 A CB -1.411 17.547 19.000 -0.070 0.000 0.794 57 A HN 0.197 nan 8.150 nan 0.000 0.459 58 T N -0.043 114.425 114.554 -0.143 0.000 3.313 58 T HA 0.250 4.600 4.350 0.001 0.000 0.263 58 T C 0.010 174.623 174.700 -0.144 0.000 0.983 58 T CA 0.046 62.076 62.100 -0.116 0.000 0.963 58 T CB -0.926 67.890 68.868 -0.086 0.000 1.141 58 T HN 0.543 nan 8.240 nan 0.000 0.526 59 N N 1.431 120.030 118.700 -0.169 0.000 2.732 59 N HA -0.204 4.537 4.740 0.001 0.000 0.250 59 N C 0.030 175.469 175.510 -0.118 0.000 1.097 59 N CA 1.450 54.396 53.050 -0.173 0.000 0.812 59 N CB -2.028 36.328 38.487 -0.217 0.000 1.148 59 N HN 0.849 nan 8.380 nan 0.000 0.572 60 H N -2.231 116.784 119.070 -0.091 0.000 2.692 60 H HA -0.167 4.390 4.556 0.001 0.000 0.316 60 H C 0.361 175.644 175.328 -0.075 0.000 1.176 60 H CA 1.427 57.441 56.048 -0.058 0.000 1.142 60 H CB -0.920 28.812 29.762 -0.050 0.000 1.475 60 H HN 0.531 nan 8.280 nan 0.000 0.423 61 M N 0.269 119.871 119.600 0.003 0.000 2.457 61 M HA 0.606 5.087 4.480 0.001 0.000 0.300 61 M C 0.034 176.345 176.300 0.019 0.000 1.141 61 M CA 0.105 55.407 55.300 0.003 0.000 0.901 61 M CB 1.834 34.397 32.600 -0.060 0.000 1.687 61 M HN 0.245 nan 8.290 nan 0.000 0.449 62 G N 2.208 111.037 108.800 0.049 0.000 2.650 62 G HA2 0.404 4.365 3.960 0.001 0.000 0.310 62 G HA3 0.404 4.365 3.960 0.001 0.000 0.310 62 G C -1.343 173.587 174.900 0.050 0.000 1.270 62 G CA -0.342 44.782 45.100 0.040 0.000 0.810 62 G HN 0.653 nan 8.290 nan 0.000 0.493 63 N N -1.729 116.994 118.700 0.038 0.000 2.683 63 N HA 0.463 5.203 4.740 0.001 0.000 0.135 63 N C 0.229 175.769 175.510 0.049 0.000 1.546 63 N CA 1.576 54.650 53.050 0.040 0.000 1.140 63 N CB 0.326 38.827 38.487 0.024 0.000 1.077 63 N HN 1.724 nan 8.380 nan 0.000 0.390 64 V N 0.284 120.223 119.914 0.042 0.000 3.605 64 V HA -0.116 4.004 4.120 0.001 0.000 0.507 64 V C -0.673 175.480 176.094 0.098 0.000 0.682 64 V CA 0.380 62.725 62.300 0.074 0.000 2.051 64 V CB -2.293 29.580 31.823 0.083 0.000 2.472 64 V HN 0.665 nan 8.190 nan 0.000 0.509 65 T N 5.522 120.114 114.554 0.063 0.000 2.859 65 T HA 0.936 5.287 4.350 0.001 0.000 0.281 65 T C -0.451 174.291 174.700 0.071 0.000 1.005 65 T CA -0.047 62.045 62.100 -0.014 0.000 1.025 65 T CB 1.870 70.706 68.868 -0.055 0.000 0.977 65 T HN 2.159 nan 8.240 nan 0.000 0.458 66 F N -0.912 119.030 119.950 -0.014 0.000 2.691 66 F HA 0.904 5.431 4.527 0.001 0.000 0.334 66 F C -0.804 174.987 175.800 -0.015 0.000 1.107 66 F CA -1.212 56.776 58.000 -0.020 0.000 0.991 66 F CB 1.303 40.285 39.000 -0.031 0.000 1.400 66 F HN 0.559 nan 8.300 nan 0.000 0.503 67 T N 1.738 116.471 114.554 0.300 0.000 3.011 67 T HA 0.528 4.878 4.350 0.001 0.000 0.303 67 T C -0.944 173.879 174.700 0.206 0.000 0.997 67 T CA -0.328 61.871 62.100 0.164 0.000 1.007 67 T CB 1.180 70.088 68.868 0.067 0.000 1.017 67 T HN 0.557 nan 8.240 nan 0.000 0.443 68 I N 6.630 127.319 120.570 0.198 0.000 2.297 68 I HA 0.344 4.514 4.170 0.001 0.000 0.291 68 I C -1.951 174.204 176.117 0.064 0.000 1.033 68 I CA -1.977 59.398 61.300 0.124 0.000 1.253 68 I CB 1.160 39.244 38.000 0.140 0.000 1.396 68 I HN 0.340 nan 8.210 nan 0.000 0.476 69 P HA 0.617 nan 4.420 nan 0.000 0.287 69 P C -0.326 176.985 177.300 0.019 0.000 1.296 69 P CA -0.089 63.025 63.100 0.023 0.000 0.811 69 P CB 1.290 33.000 31.700 0.017 0.000 1.211 81 N N 0.255 118.876 118.700 -0.131 0.000 2.388 81 N HA 0.055 4.795 4.740 0.001 0.000 0.176 81 N C -0.104 175.372 175.510 -0.056 0.000 1.062 81 N CA 0.352 53.387 53.050 -0.024 0.000 0.895 81 N CB 0.537 39.033 38.487 0.016 0.000 1.018 81 N HN -0.115 nan 8.380 nan 0.000 0.456 82 K N 0.286 120.517 120.400 -0.282 0.000 2.182 82 K HA 0.413 4.733 4.320 0.001 0.000 0.262 82 K C -1.505 174.808 176.600 -0.478 0.000 0.957 82 K CA -0.222 55.958 56.287 -0.178 0.000 0.842 82 K CB 0.976 33.428 32.500 -0.080 0.000 1.099 82 K HN -0.113 nan 8.250 nan 0.000 0.438 83 F N 1.521 121.521 119.950 0.082 0.000 2.620 83 F HA 0.559 5.087 4.527 0.001 0.000 0.320 83 F C -0.305 175.542 175.800 0.078 0.000 1.069 83 F CA -1.204 56.818 58.000 0.037 0.000 0.953 83 F CB 1.538 40.496 39.000 -0.070 0.000 1.322 83 F HN 0.196 nan 8.300 nan 0.000 0.479 84 V N -1.984 118.066 119.914 0.227 0.000 3.046 84 V HA 0.758 4.879 4.120 0.001 0.000 0.316 84 V C -0.677 175.485 176.094 0.114 0.000 1.104 84 V CA -0.696 61.708 62.300 0.173 0.000 1.006 84 V CB 1.625 33.508 31.823 0.100 0.000 1.058 84 V HN 0.725 nan 8.190 nan 0.000 0.440 85 T N 2.257 116.905 114.554 0.156 0.000 2.753 85 T HA 0.536 4.886 4.350 0.001 0.000 0.297 85 T C -0.230 174.532 174.700 0.104 0.000 0.981 85 T CA -0.160 62.012 62.100 0.121 0.000 0.956 85 T CB 0.937 69.925 68.868 0.201 0.000 0.936 85 T HN 0.667 nan 8.240 nan 0.000 0.463 86 V N 4.688 124.617 119.914 0.025 0.000 2.530 86 V HA 0.333 4.453 4.120 0.001 0.000 0.282 86 V C 0.263 176.361 176.094 0.008 0.000 1.048 86 V CA -0.277 62.007 62.300 -0.026 0.000 0.997 86 V CB 1.288 33.097 31.823 -0.023 0.000 0.987 86 V HN 0.784 nan 8.190 nan 0.000 0.477 87 Q N 2.910 122.707 119.800 -0.006 0.000 2.337 87 Q HA 0.638 4.979 4.340 0.001 0.000 0.260 87 Q C -0.855 175.114 176.000 -0.051 0.000 0.982 87 Q CA -0.438 55.373 55.803 0.014 0.000 0.734 87 Q CB 1.943 30.738 28.738 0.094 0.000 1.272 87 Q HN 0.896 nan 8.270 nan 0.000 0.461 88 A N 2.180 124.966 122.820 -0.057 0.000 2.292 88 A HA 0.639 4.959 4.320 0.001 0.000 0.319 88 A C -0.305 177.166 177.584 -0.190 0.000 1.206 88 A CA -0.424 51.493 52.037 -0.199 0.000 0.835 88 A CB 1.309 20.155 19.000 -0.258 0.000 1.164 88 A HN 0.522 nan 8.150 nan 0.000 0.505 89 T N 1.417 115.787 114.554 -0.305 0.000 2.833 89 T HA 0.633 4.983 4.350 0.001 0.000 0.297 89 T C -1.120 173.387 174.700 -0.321 0.000 1.015 89 T CA -0.337 61.649 62.100 -0.190 0.000 0.963 89 T CB -0.371 68.439 68.868 -0.095 0.000 0.955 89 T HN 0.299 nan 8.240 nan 0.000 0.449 90 F N 4.377 124.144 119.950 -0.305 0.000 2.361 90 F HA 0.560 5.088 4.527 0.001 0.000 0.364 90 F C 1.737 177.280 175.800 -0.428 0.000 1.120 90 F CA 0.231 57.951 58.000 -0.466 0.000 1.102 90 F CB 1.057 39.432 39.000 -1.041 0.000 1.183 90 F HN 1.026 nan 8.300 nan 0.000 0.476 91 G N 2.754 111.497 108.800 -0.095 0.000 3.024 91 G HA2 -0.445 3.516 3.960 0.001 0.000 0.339 91 G HA3 -0.445 3.516 3.960 0.001 0.000 0.339 91 G C 1.101 175.971 174.900 -0.050 0.000 1.200 91 G CA 1.147 46.216 45.100 -0.052 0.000 0.968 91 G HN 0.854 nan 8.290 nan 0.000 0.593 92 T N -2.185 112.346 114.554 -0.038 0.000 3.043 92 T HA 0.538 4.888 4.350 0.001 0.000 0.272 92 T C 0.571 175.264 174.700 -0.012 0.000 0.990 92 T CA 1.121 63.209 62.100 -0.020 0.000 0.897 92 T CB 0.828 69.695 68.868 -0.001 0.000 1.111 92 T HN 0.709 nan 8.240 nan 0.000 0.529 93 Q N 1.901 121.685 119.800 -0.027 0.000 2.303 93 Q HA 0.544 4.885 4.340 0.001 0.000 0.257 93 Q C -1.190 174.842 176.000 0.053 0.000 0.941 93 Q CA -0.432 55.379 55.803 0.012 0.000 0.931 93 Q CB 1.293 30.030 28.738 -0.002 0.000 1.215 93 Q HN 0.236 nan 8.270 nan 0.000 0.437 94 V N 5.335 125.281 119.914 0.054 0.000 2.370 94 V HA 0.412 4.532 4.120 0.001 0.000 0.279 94 V C -0.570 175.574 176.094 0.084 0.000 1.029 94 V CA -0.687 61.649 62.300 0.060 0.000 0.870 94 V CB 1.528 33.362 31.823 0.019 0.000 0.984 94 V HN 0.637 nan 8.190 nan 0.000 0.451 95 V N 5.965 125.959 119.914 0.133 0.000 2.384 95 V HA 0.513 4.633 4.120 0.001 0.000 0.287 95 V C -0.030 176.099 176.094 0.060 0.000 1.020 95 V CA -0.533 61.829 62.300 0.104 0.000 0.850 95 V CB 1.514 33.447 31.823 0.183 0.000 0.987 95 V HN 1.046 nan 8.190 nan 0.000 0.436 96 E N 3.869 124.080 120.200 0.018 0.000 2.312 96 E HA 0.867 5.217 4.350 0.001 0.000 0.267 96 E C -1.204 175.384 176.600 -0.021 0.000 0.894 96 E CA -1.303 55.099 56.400 0.005 0.000 0.773 96 E CB 2.898 32.602 29.700 0.007 0.000 1.241 96 E HN 0.331 nan 8.360 nan 0.000 0.432 97 K N 1.670 122.054 120.400 -0.027 0.000 2.565 97 K HA 0.242 4.562 4.320 0.001 0.000 0.251 97 K C -1.918 174.638 176.600 -0.074 0.000 0.956 97 K CA -0.829 55.425 56.287 -0.054 0.000 0.809 97 K CB 2.171 34.646 32.500 -0.042 0.000 1.267 97 K HN 0.504 nan 8.250 nan 0.000 0.438 98 V N 5.130 124.947 119.914 -0.162 0.000 2.432 98 V HA 0.738 4.858 4.120 0.001 0.000 0.275 98 V C -1.067 174.959 176.094 -0.114 0.000 1.043 98 V CA -0.134 62.007 62.300 -0.265 0.000 0.925 98 V CB 1.020 32.382 31.823 -0.767 0.000 0.985 98 V HN 0.454 nan 8.190 nan 0.000 0.466 99 V N 7.032 126.966 119.914 0.033 0.000 2.680 99 V HA 0.455 4.576 4.120 0.001 0.000 0.309 99 V C -0.097 176.141 176.094 0.240 0.000 1.052 99 V CA -0.889 61.489 62.300 0.130 0.000 0.908 99 V CB 1.558 33.433 31.823 0.088 0.000 1.001 99 V HN 0.977 nan 8.190 nan 0.000 0.431 100 L N 4.908 126.241 121.223 0.184 0.000 2.453 100 L HA 0.420 4.761 4.340 0.001 0.000 0.272 100 L C -0.239 176.541 176.870 -0.149 0.000 1.182 100 L CA 0.725 55.452 54.840 -0.188 0.000 0.858 100 L CB 1.033 42.980 42.059 -0.186 0.000 1.120 100 L HN 0.485 nan 8.230 nan 0.000 0.474 101 V N 4.645 124.416 119.914 -0.238 0.000 2.459 101 V HA 0.415 4.535 4.120 0.001 0.000 0.295 101 V C 0.222 176.240 176.094 -0.127 0.000 1.029 101 V CA -0.538 61.691 62.300 -0.118 0.000 0.874 101 V CB 1.417 33.203 31.823 -0.063 0.000 0.985 101 V HN 0.874 nan 8.190 nan 0.000 0.438 102 S N 3.777 119.429 115.700 -0.079 0.000 2.525 102 S HA 0.441 4.912 4.470 0.001 0.000 0.278 102 S C 0.871 175.453 174.600 -0.029 0.000 1.234 102 S CA -0.770 57.393 58.200 -0.062 0.000 1.058 102 S CB 0.781 63.946 63.200 -0.059 0.000 0.983 102 S HN 0.554 nan 8.310 nan 0.000 0.495 103 L N 3.143 124.353 121.223 -0.022 0.000 2.375 103 L HA 0.185 4.525 4.340 0.001 0.000 0.215 103 L C 1.525 178.406 176.870 0.020 0.000 1.108 103 L CA 0.691 55.530 54.840 -0.002 0.000 0.830 103 L CB -1.546 40.511 42.059 -0.004 0.000 0.959 103 L HN 0.727 nan 8.230 nan 0.000 0.457 104 Q N 1.711 121.532 119.800 0.035 0.000 2.300 104 Q HA -0.015 4.325 4.340 0.001 0.000 0.280 104 Q C 0.543 176.596 176.000 0.090 0.000 1.033 104 Q CA 0.521 56.370 55.803 0.077 0.000 0.903 104 Q CB 0.978 29.771 28.738 0.093 0.000 1.195 104 Q HN 0.344 nan 8.270 nan 0.000 0.386 105 S N 2.330 118.004 115.700 -0.044 0.000 2.559 105 S HA 0.491 4.962 4.470 0.001 0.000 0.226 105 S C 0.569 174.742 174.600 -0.712 0.000 1.000 105 S CA 0.009 58.025 58.200 -0.306 0.000 0.948 105 S CB 0.972 63.927 63.200 -0.408 0.000 0.870 105 S HN 0.951 nan 8.310 nan 0.000 0.497 106 G N 0.196 108.631 108.800 -0.608 0.000 2.441 106 G HA2 0.378 4.339 3.960 0.001 0.000 0.222 106 G HA3 0.378 4.339 3.960 0.001 0.000 0.222 106 G C -2.187 172.488 174.900 -0.376 0.000 1.254 106 G CA -0.853 43.772 45.100 -0.790 0.000 0.959 106 G HN 0.152 nan 8.290 nan 0.000 0.474 107 Y N -0.575 119.736 120.300 0.019 0.000 2.536 107 Y HA 0.830 5.380 4.550 0.001 0.000 0.347 107 Y C 0.174 175.610 175.900 -0.773 0.000 1.000 107 Y CA -0.965 56.861 58.100 -0.456 0.000 1.051 107 Y CB 2.223 40.466 38.460 -0.362 0.000 1.259 107 Y HN 0.445 nan 8.280 nan 0.000 0.468 108 L N 2.876 123.123 121.223 -1.626 0.000 2.410 108 L HA 0.563 4.903 4.340 0.001 0.000 0.270 108 L C -1.577 174.647 176.870 -1.076 0.000 0.983 108 L CA -0.547 53.669 54.840 -1.039 0.000 0.822 108 L CB 1.603 43.188 42.059 -0.789 0.000 1.285 108 L HN 0.459 nan 8.230 nan 0.000 0.409 109 F N 3.399 123.300 119.950 -0.082 0.000 2.495 109 F HA 0.597 5.125 4.527 0.001 0.000 0.327 109 F C 0.078 176.032 175.800 0.256 0.000 1.103 109 F CA -0.589 57.450 58.000 0.065 0.000 0.949 109 F CB 1.808 40.814 39.000 0.011 0.000 1.142 109 F HN 0.144 nan 8.300 nan 0.000 0.457 110 I N 2.760 123.545 120.570 0.358 0.000 2.406 110 I HA 0.375 4.546 4.170 0.001 0.000 0.290 110 I C -0.730 175.581 176.117 0.322 0.000 0.999 110 I CA -0.714 60.760 61.300 0.290 0.000 1.124 110 I CB 1.885 40.002 38.000 0.195 0.000 1.289 110 I HN 0.567 nan 8.210 nan 0.000 0.441 111 Q N 5.298 125.305 119.800 0.346 0.000 2.333 111 Q HA 0.491 4.832 4.340 0.001 0.000 0.267 111 Q C -0.806 175.348 176.000 0.256 0.000 1.012 111 Q CA -0.611 55.379 55.803 0.313 0.000 0.824 111 Q CB 2.139 31.128 28.738 0.418 0.000 1.290 111 Q HN 0.802 nan 8.270 nan 0.000 0.449 112 T N -0.419 114.272 114.554 0.228 0.000 2.925 112 T HA 0.179 4.530 4.350 0.001 0.000 0.285 112 T C 0.932 175.771 174.700 0.231 0.000 1.021 112 T CA -0.411 61.824 62.100 0.225 0.000 1.042 112 T CB 1.157 70.146 68.868 0.201 0.000 1.037 112 T HN 0.732 nan 8.240 nan 0.000 0.481 113 D N 1.170 121.714 120.400 0.240 0.000 2.178 113 D HA -0.083 4.558 4.640 0.001 0.000 0.201 113 D C 0.412 176.806 176.300 0.158 0.000 0.980 113 D CA 1.091 55.206 54.000 0.193 0.000 0.842 113 D CB 0.215 41.116 40.800 0.169 0.000 0.948 113 D HN 0.595 nan 8.370 nan 0.000 0.472 114 K N -1.330 119.155 120.400 0.141 0.000 2.439 114 K HA 0.295 4.616 4.320 0.001 0.000 0.260 114 K C 0.810 177.385 176.600 -0.042 0.000 1.032 114 K CA -0.190 56.050 56.287 -0.078 0.000 0.882 114 K CB 1.871 34.082 32.500 -0.481 0.000 1.420 114 K HN -0.067 nan 8.250 nan 0.000 0.455 115 T N -1.983 112.552 114.554 -0.031 0.000 3.035 115 T HA 0.228 4.578 4.350 0.001 0.000 0.259 115 T C 0.885 175.610 174.700 0.043 0.000 1.078 115 T CA 0.260 62.411 62.100 0.085 0.000 1.132 115 T CB 0.107 69.058 68.868 0.139 0.000 0.900 115 T HN 0.495 nan 8.240 nan 0.000 0.480 116 I N -0.060 120.377 120.570 -0.222 0.000 2.827 116 I HA 0.596 4.767 4.170 0.001 0.000 0.298 116 I C -2.043 173.908 176.117 -0.278 0.000 1.235 116 I CA -1.647 59.588 61.300 -0.108 0.000 1.021 116 I CB 2.211 40.099 38.000 -0.186 0.000 1.259 116 I HN 0.058 nan 8.210 nan 0.000 0.427 117 Y N 3.047 123.532 120.300 0.308 0.000 2.553 117 Y HA 0.495 5.045 4.550 0.001 0.000 0.347 117 Y C 0.146 176.203 175.900 0.262 0.000 1.019 117 Y CA -0.699 57.564 58.100 0.272 0.000 1.032 117 Y CB 2.280 40.816 38.460 0.126 0.000 1.284 117 Y HN 0.552 nan 8.280 nan 0.000 0.466 118 T N -0.479 114.192 114.554 0.195 0.000 2.922 118 T HA 0.507 4.857 4.350 0.001 0.000 0.285 118 T C -2.816 171.875 174.700 -0.016 0.000 1.005 118 T CA -2.446 59.638 62.100 -0.027 0.000 1.061 118 T CB 1.326 70.019 68.868 -0.292 0.000 1.007 118 T HN 0.172 nan 8.240 nan 0.000 0.502 119 P HA 0.239 nan 4.420 nan 0.000 0.265 119 P C 1.074 178.304 177.300 -0.116 0.000 1.187 119 P CA 1.151 64.202 63.100 -0.081 0.000 0.766 119 P CB -0.000 31.674 31.700 -0.044 0.000 0.820 120 G N 0.979 109.679 108.800 -0.166 0.000 2.147 120 G HA2 -0.183 3.778 3.960 0.001 0.000 0.244 120 G HA3 -0.183 3.778 3.960 0.001 0.000 0.244 120 G C 0.241 175.046 174.900 -0.159 0.000 1.005 120 G CA 0.332 45.334 45.100 -0.163 0.000 0.713 120 G HN 0.820 nan 8.290 nan 0.000 0.515 121 S N -1.642 113.954 115.700 -0.174 0.000 2.759 121 S HA 0.848 5.319 4.470 0.001 0.000 0.310 121 S C -0.276 174.189 174.600 -0.225 0.000 1.123 121 S CA -0.029 58.090 58.200 -0.135 0.000 0.959 121 S CB 2.331 65.517 63.200 -0.022 0.000 1.172 121 S HN 0.521 nan 8.310 nan 0.000 0.539 122 T N 1.720 116.179 114.554 -0.158 0.000 2.756 122 T HA 0.469 4.820 4.350 0.001 0.000 0.290 122 T C -0.552 174.010 174.700 -0.230 0.000 0.985 122 T CA -0.453 61.530 62.100 -0.196 0.000 0.955 122 T CB 0.849 69.652 68.868 -0.107 0.000 0.930 122 T HN 0.527 nan 8.240 nan 0.000 0.451 123 V N 6.308 125.986 119.914 -0.393 0.000 2.415 123 V HA 0.227 4.347 4.120 0.001 0.000 0.267 123 V C 0.249 176.327 176.094 -0.027 0.000 1.042 123 V CA -0.367 61.628 62.300 -0.509 0.000 1.000 123 V CB -0.229 31.150 31.823 -0.740 0.000 1.015 123 V HN 0.694 nan 8.190 nan 0.000 0.478 124 L N 7.574 128.826 121.223 0.048 0.000 2.289 124 L HA 0.650 4.991 4.340 0.001 0.000 0.285 124 L C -0.415 176.580 176.870 0.209 0.000 1.049 124 L CA -0.468 54.430 54.840 0.097 0.000 0.804 124 L CB 0.698 42.790 42.059 0.054 0.000 1.195 124 L HN 0.767 nan 8.230 nan 0.000 0.428 125 Y N 1.525 121.799 120.300 -0.044 0.000 2.581 125 Y HA 0.803 5.354 4.550 0.001 0.000 0.337 125 Y C -1.084 174.767 175.900 -0.081 0.000 1.108 125 Y CA -1.462 56.615 58.100 -0.038 0.000 1.033 125 Y CB 1.464 39.898 38.460 -0.042 0.000 1.318 125 Y HN 0.559 nan 8.280 nan 0.000 0.459 126 R N 1.989 122.486 120.500 -0.006 0.000 2.725 126 R HA 0.727 5.067 4.340 0.001 0.000 0.277 126 R C -2.212 173.891 176.300 -0.327 0.000 0.987 126 R CA -0.871 55.067 56.100 -0.271 0.000 0.901 126 R CB 2.390 32.437 30.300 -0.421 0.000 1.207 126 R HN 0.775 nan 8.270 nan 0.000 0.463 127 I N 2.215 122.550 120.570 -0.393 0.000 2.404 127 I HA 0.369 4.539 4.170 0.001 0.000 0.293 127 I C -0.712 175.130 176.117 -0.457 0.000 0.992 127 I CA -0.573 60.557 61.300 -0.283 0.000 1.149 127 I CB 1.208 39.114 38.000 -0.157 0.000 1.315 127 I HN 0.432 nan 8.210 nan 0.000 0.446 128 F N 3.494 123.453 119.950 0.015 0.000 2.415 128 F HA 0.501 5.029 4.527 0.001 0.000 0.348 128 F C 0.534 176.339 175.800 0.009 0.000 1.119 128 F CA -0.754 57.269 58.000 0.038 0.000 1.069 128 F CB 1.417 40.477 39.000 0.099 0.000 1.124 128 F HN 0.357 nan 8.300 nan 0.000 0.472 129 T N 1.301 115.946 114.554 0.152 0.000 2.788 129 T HA 0.697 5.048 4.350 0.001 0.000 0.296 129 T C -0.601 174.220 174.700 0.203 0.000 1.009 129 T CA -0.730 61.452 62.100 0.136 0.000 0.949 129 T CB 0.625 69.552 68.868 0.099 0.000 0.946 129 T HN 0.545 nan 8.240 nan 0.000 0.453 130 V N 0.943 120.997 119.914 0.234 0.000 2.962 130 V HA 0.786 4.906 4.120 0.001 0.000 0.313 130 V C -0.365 175.770 176.094 0.069 0.000 1.099 130 V CA -1.477 60.926 62.300 0.172 0.000 0.971 130 V CB 1.691 33.651 31.823 0.229 0.000 1.028 130 V HN 0.902 nan 8.190 nan 0.000 0.430 131 N N 0.992 119.678 118.700 -0.023 0.000 2.328 131 N HA 0.234 4.975 4.740 0.001 0.000 0.277 131 N C 0.835 176.260 175.510 -0.143 0.000 1.286 131 N CA -0.019 52.904 53.050 -0.211 0.000 0.949 131 N CB -0.326 38.067 38.487 -0.156 0.000 1.136 131 N HN 0.736 nan 8.380 nan 0.000 0.550 132 H N -1.098 117.946 119.070 -0.042 0.000 2.491 132 H HA 0.053 4.609 4.556 0.001 0.000 0.290 132 H C 0.571 176.040 175.328 0.235 0.000 1.050 132 H CA 0.968 57.034 56.048 0.030 0.000 1.309 132 H CB 0.073 29.815 29.762 -0.032 0.000 1.392 132 H HN 0.566 nan 8.280 nan 0.000 0.554 133 K N 0.669 121.218 120.400 0.249 0.000 2.487 133 K HA 0.096 4.417 4.320 0.001 0.000 0.192 133 K C 0.565 177.299 176.600 0.224 0.000 1.027 133 K CA -0.066 56.353 56.287 0.220 0.000 1.054 133 K CB 0.442 33.023 32.500 0.134 0.000 0.824 133 K HN 0.101 nan 8.250 nan 0.000 0.510 134 L N 0.208 121.580 121.223 0.249 0.000 4.291 134 L HA -0.251 4.090 4.340 0.001 0.000 0.413 134 L C -0.562 176.378 176.870 0.116 0.000 1.162 134 L CA 0.171 55.126 54.840 0.192 0.000 0.961 134 L CB -1.792 40.313 42.059 0.078 0.000 2.095 134 L HN 0.199 nan 8.230 nan 0.000 0.838 135 L N 1.511 122.795 121.223 0.102 0.000 2.357 135 L HA 0.440 4.781 4.340 0.001 0.000 0.273 135 L C -1.579 175.332 176.870 0.069 0.000 1.080 135 L CA -1.859 53.025 54.840 0.073 0.000 0.803 135 L CB 0.775 42.869 42.059 0.058 0.000 1.174 135 L HN -0.222 nan 8.230 nan 0.000 0.443 136 P HA -0.001 nan 4.420 nan 0.000 0.261 136 P C -0.696 176.634 177.300 0.051 0.000 1.183 136 P CA 0.125 63.268 63.100 0.072 0.000 0.761 136 P CB 0.493 32.229 31.700 0.061 0.000 0.785 137 V N 1.033 120.983 119.914 0.061 0.000 2.919 137 V HA 0.890 5.011 4.120 0.001 0.000 0.316 137 V C 0.453 176.578 176.094 0.053 0.000 1.077 137 V CA -1.002 61.320 62.300 0.036 0.000 0.977 137 V CB 1.945 33.764 31.823 -0.007 0.000 1.039 137 V HN 0.531 nan 8.190 nan 0.000 0.441 138 G N 2.353 111.172 108.800 0.031 0.000 3.005 138 G HA2 0.622 4.582 3.960 0.001 0.000 0.342 138 G HA3 0.622 4.582 3.960 0.001 0.000 0.342 138 G C -0.152 174.772 174.900 0.039 0.000 1.101 138 G CA -0.666 44.453 45.100 0.032 0.000 1.225 138 G HN 0.716 nan 8.290 nan 0.000 0.462 139 R N 0.518 121.070 120.500 0.086 0.000 2.854 139 R HA 0.584 4.925 4.340 0.001 0.000 0.271 139 R C -0.174 176.191 176.300 0.108 0.000 0.994 139 R CA -0.810 55.356 56.100 0.109 0.000 0.945 139 R CB 1.847 32.249 30.300 0.170 0.000 1.194 139 R HN 0.431 nan 8.270 nan 0.000 0.476 140 T N -0.914 113.689 114.554 0.081 0.000 2.780 140 T HA 0.382 4.733 4.350 0.001 0.000 0.294 140 T C -0.026 174.682 174.700 0.013 0.000 0.949 140 T CA -0.470 61.647 62.100 0.029 0.000 1.074 140 T CB 0.720 69.593 68.868 0.007 0.000 0.910 140 T HN 0.140 nan 8.240 nan 0.000 0.501 141 V N 5.616 125.479 119.914 -0.084 0.000 2.667 141 V HA 0.540 4.661 4.120 0.001 0.000 0.308 141 V C 0.085 176.015 176.094 -0.273 0.000 1.048 141 V CA -1.058 61.114 62.300 -0.213 0.000 0.928 141 V CB 1.952 33.611 31.823 -0.272 0.000 1.004 141 V HN 0.907 nan 8.190 nan 0.000 0.444 142 M N 4.759 124.061 119.600 -0.497 0.000 2.149 142 M HA 0.539 5.020 4.480 0.001 0.000 0.342 142 M C -0.823 175.238 176.300 -0.399 0.000 1.068 142 M CA -0.545 54.432 55.300 -0.538 0.000 0.991 142 M CB 1.225 33.267 32.600 -0.930 0.000 1.596 142 M HN 0.379 nan 8.290 nan 0.000 0.439 143 V N 5.355 125.167 119.914 -0.171 0.000 2.531 143 V HA 0.552 4.673 4.120 0.001 0.000 0.301 143 V C -1.123 174.970 176.094 -0.001 0.000 1.034 143 V CA -0.463 61.807 62.300 -0.049 0.000 0.865 143 V CB 2.105 33.945 31.823 0.028 0.000 0.995 143 V HN 1.024 nan 8.190 nan 0.000 0.424 144 N N 6.085 124.791 118.700 0.010 0.000 2.269 144 N HA 0.621 5.362 4.740 0.001 0.000 0.304 144 N C -1.195 174.274 175.510 -0.068 0.000 1.072 144 N CA -0.772 52.270 53.050 -0.013 0.000 0.802 144 N CB 2.529 41.025 38.487 0.015 0.000 1.348 144 N HN 0.531 nan 8.380 nan 0.000 0.484 145 I N 1.370 121.848 120.570 -0.153 0.000 2.321 145 I HA 0.211 4.381 4.170 0.001 0.000 0.291 145 I C -0.135 175.881 176.117 -0.167 0.000 0.998 145 I CA -0.257 60.905 61.300 -0.231 0.000 1.227 145 I CB 1.119 38.771 38.000 -0.580 0.000 1.368 145 I HN 0.442 nan 8.210 nan 0.000 0.466 146 E N 4.944 125.080 120.200 -0.107 0.000 2.195 146 E HA 0.236 4.587 4.350 0.001 0.000 0.271 146 E C -0.733 175.617 176.600 -0.418 0.000 0.923 146 E CA -0.807 55.478 56.400 -0.191 0.000 0.790 146 E CB 1.654 31.255 29.700 -0.165 0.000 1.155 146 E HN 0.604 nan 8.360 nan 0.000 0.402 147 N N 2.233 120.502 118.700 -0.718 0.000 2.405 147 N HA 0.201 4.941 4.740 0.001 0.000 0.269 147 N C -2.240 172.675 175.510 -0.992 0.000 1.249 147 N CA -1.461 50.654 53.050 -1.559 0.000 0.974 147 N CB -0.079 37.596 38.487 -1.353 0.000 1.204 147 N HN 0.054 nan 8.380 nan 0.000 0.565 148 P HA -0.113 nan 4.420 nan 0.000 0.220 148 P C 0.513 177.619 177.300 -0.323 0.000 1.148 148 P CA 1.321 64.101 63.100 -0.533 0.000 0.803 148 P CB 0.009 31.478 31.700 -0.385 0.000 0.782 149 E N -0.780 119.241 120.200 -0.297 0.000 2.437 149 E HA 0.128 4.479 4.350 0.001 0.000 0.189 149 E C 0.917 177.408 176.600 -0.181 0.000 1.054 149 E CA 0.593 56.879 56.400 -0.190 0.000 0.874 149 E CB -0.858 28.759 29.700 -0.139 0.000 1.011 149 E HN 0.195 nan 8.360 nan 0.000 0.474 150 G N 1.439 110.098 108.800 -0.234 0.000 2.141 150 G HA2 -0.227 3.733 3.960 0.001 0.000 0.231 150 G HA3 -0.227 3.733 3.960 0.001 0.000 0.231 150 G C 0.138 174.945 174.900 -0.156 0.000 0.984 150 G CA 0.055 45.047 45.100 -0.181 0.000 0.660 150 G HN 0.333 nan 8.290 nan 0.000 0.525 151 I N 1.732 122.194 120.570 -0.180 0.000 2.342 151 I HA 0.268 4.439 4.170 0.001 0.000 0.291 151 I C -1.950 174.090 176.117 -0.128 0.000 1.010 151 I CA -2.255 58.969 61.300 -0.127 0.000 1.308 151 I CB 1.389 39.326 38.000 -0.104 0.000 1.400 151 I HN -0.140 nan 8.210 nan 0.000 0.488 152 P HA 0.036 nan 4.420 nan 0.000 0.268 152 P C 0.299 177.580 177.300 -0.031 0.000 1.204 152 P CA 0.114 63.178 63.100 -0.060 0.000 0.768 152 P CB 1.258 32.942 31.700 -0.027 0.000 0.842 153 V N 2.517 122.411 119.914 -0.032 0.000 3.539 153 V HA 0.178 4.299 4.120 0.001 0.000 0.262 153 V C 0.470 176.596 176.094 0.053 0.000 1.381 153 V CA 0.831 63.162 62.300 0.052 0.000 1.060 153 V CB 0.152 32.080 31.823 0.175 0.000 0.842 153 V HN 0.464 nan 8.190 nan 0.000 0.445 154 K N 0.816 121.180 120.400 -0.060 0.000 2.498 154 K HA 0.572 4.892 4.320 0.001 0.000 0.254 154 K C -1.607 174.977 176.600 -0.025 0.000 0.933 154 K CA -0.446 55.826 56.287 -0.026 0.000 0.806 154 K CB 2.500 34.928 32.500 -0.120 0.000 1.301 154 K HN 0.123 nan 8.250 nan 0.000 0.432 155 Q N 2.180 121.992 119.800 0.020 0.000 2.263 155 Q HA 0.337 4.678 4.340 0.001 0.000 0.266 155 Q C -1.923 174.088 176.000 0.018 0.000 1.002 155 Q CA -0.558 55.255 55.803 0.016 0.000 0.790 155 Q CB 1.841 30.593 28.738 0.023 0.000 1.272 155 Q HN 0.504 nan 8.270 nan 0.000 0.435 156 D N 0.843 121.244 120.400 0.002 0.000 2.601 156 D HA 0.596 5.236 4.640 0.001 0.000 0.230 156 D C -1.154 175.116 176.300 -0.049 0.000 1.106 156 D CA -0.446 53.546 54.000 -0.012 0.000 0.873 156 D CB 2.338 43.135 40.800 -0.006 0.000 1.515 156 D HN 0.342 nan 8.370 nan 0.000 0.468 157 S N 0.785 116.456 115.700 -0.049 0.000 2.736 157 S HA 0.676 5.147 4.470 0.001 0.000 0.285 157 S C -0.825 173.741 174.600 -0.056 0.000 1.163 157 S CA -0.651 57.507 58.200 -0.069 0.000 1.025 157 S CB 0.806 63.976 63.200 -0.051 0.000 1.030 157 S HN 0.263 nan 8.310 nan 0.000 0.486 158 L N 0.902 122.083 121.223 -0.069 0.000 2.466 158 L HA 0.717 5.057 4.340 0.001 0.000 0.258 158 L C -0.043 176.797 176.870 -0.051 0.000 0.973 158 L CA -0.754 54.051 54.840 -0.058 0.000 0.826 158 L CB 1.909 43.926 42.059 -0.070 0.000 1.372 158 L HN 0.520 nan 8.230 nan 0.000 0.409 159 S N -0.361 115.318 115.700 -0.034 0.000 2.586 159 S HA 0.445 4.916 4.470 0.001 0.000 0.274 159 S C 0.780 175.363 174.600 -0.028 0.000 1.281 159 S CA 0.014 58.203 58.200 -0.020 0.000 1.035 159 S CB 1.026 64.220 63.200 -0.009 0.000 0.962 159 S HN 0.780 nan 8.310 nan 0.000 0.512 160 S N 2.559 118.251 115.700 -0.013 0.000 2.557 160 S HA 0.125 4.595 4.470 0.001 0.000 0.223 160 S C 0.480 175.077 174.600 -0.005 0.000 0.969 160 S CA -0.626 57.563 58.200 -0.018 0.000 0.927 160 S CB -0.380 62.814 63.200 -0.010 0.000 0.806 160 S HN 0.855 nan 8.310 nan 0.000 0.489 161 Q N 1.938 121.737 119.800 -0.002 0.000 2.349 161 Q HA 0.177 4.517 4.340 0.001 0.000 0.287 161 Q C -0.406 175.590 176.000 -0.008 0.000 1.044 161 Q CA 0.506 56.308 55.803 -0.001 0.000 0.918 161 Q CB -0.567 28.170 28.738 -0.000 0.000 1.242 161 Q HN 0.487 nan 8.270 nan 0.000 0.405 162 N N 1.202 119.899 118.700 -0.005 0.000 2.741 162 N HA -0.237 4.504 4.740 0.001 0.000 0.251 162 N C -0.283 175.220 175.510 -0.013 0.000 1.112 162 N CA 1.089 54.134 53.050 -0.009 0.000 0.750 162 N CB -0.695 37.786 38.487 -0.011 0.000 1.119 162 N HN 0.774 nan 8.380 nan 0.000 0.561 163 Q N -0.286 119.507 119.800 -0.012 0.000 2.113 163 Q HA 0.237 4.578 4.340 0.001 0.000 0.225 163 Q C -0.001 175.995 176.000 -0.008 0.000 0.786 163 Q CA -0.407 55.385 55.803 -0.019 0.000 0.989 163 Q CB 0.810 29.527 28.738 -0.035 0.000 1.174 163 Q HN 0.331 nan 8.270 nan 0.000 0.470 164 L N 1.009 122.235 121.223 0.005 0.000 3.678 164 L HA -0.285 4.055 4.340 0.001 0.000 0.425 164 L C 0.557 177.453 176.870 0.042 0.000 1.240 164 L CA 1.756 56.609 54.840 0.021 0.000 0.876 164 L CB -1.498 40.572 42.059 0.018 0.000 1.766 164 L HN 0.488 nan 8.230 nan 0.000 0.917 165 G N -2.240 106.582 108.800 0.037 0.000 2.176 165 G HA2 -0.235 3.726 3.960 0.001 0.000 0.253 165 G HA3 -0.235 3.726 3.960 0.001 0.000 0.253 165 G C 0.220 175.139 174.900 0.033 0.000 0.979 165 G CA 0.079 45.217 45.100 0.064 0.000 0.641 165 G HN 1.057 nan 8.290 nan 0.000 0.530 166 V N 1.270 121.167 119.914 -0.028 0.000 2.370 166 V HA 0.673 4.794 4.120 0.001 0.000 0.283 166 V C -0.060 175.916 176.094 -0.197 0.000 1.023 166 V CA -0.780 61.418 62.300 -0.169 0.000 0.857 166 V CB 1.595 33.352 31.823 -0.109 0.000 0.985 166 V HN 0.195 nan 8.190 nan 0.000 0.443 167 L N 8.860 129.914 121.223 -0.280 0.000 2.283 167 L HA 0.516 4.857 4.340 0.001 0.000 0.281 167 L C -2.233 174.469 176.870 -0.280 0.000 1.033 167 L CA -1.653 53.048 54.840 -0.231 0.000 0.848 167 L CB 1.694 43.632 42.059 -0.202 0.000 1.226 167 L HN 0.438 nan 8.230 nan 0.000 0.429 168 P HA 0.401 nan 4.420 nan 0.000 0.292 168 P C -0.925 176.181 177.300 -0.323 0.000 1.287 168 P CA -0.262 62.680 63.100 -0.263 0.000 0.800 168 P CB 1.485 33.077 31.700 -0.179 0.000 0.945 169 L N 1.736 122.643 121.223 -0.528 0.000 2.322 169 L HA 0.733 5.073 4.340 0.001 0.000 0.252 169 L C 0.153 176.622 176.870 -0.667 0.000 1.055 169 L CA -0.832 53.619 54.840 -0.649 0.000 0.849 169 L CB 2.221 43.731 42.059 -0.914 0.000 1.446 169 L HN 0.442 nan 8.230 nan 0.000 0.416 170 S N -1.106 114.371 115.700 -0.373 0.000 2.537 170 S HA 0.649 5.120 4.470 0.001 0.000 0.270 170 S C -2.099 172.630 174.600 0.215 0.000 1.142 170 S CA -0.696 57.469 58.200 -0.059 0.000 0.870 170 S CB 2.048 65.213 63.200 -0.059 0.000 1.112 170 S HN 0.625 nan 8.310 nan 0.000 0.466 171 W N 2.013 123.351 121.300 0.064 0.000 2.957 171 W HA 0.604 5.264 4.660 0.001 0.000 0.336 171 W C -1.989 174.473 176.519 -0.095 0.000 1.087 171 W CA -0.504 56.849 57.345 0.013 0.000 1.235 171 W CB 1.611 31.103 29.460 0.053 0.000 1.399 171 W HN 0.667 nan 8.180 nan 0.000 0.480 172 D N 6.093 126.093 120.400 -0.666 0.000 2.347 172 D HA 0.248 4.888 4.640 0.001 0.000 0.235 172 D C 0.322 175.873 176.300 -1.248 0.000 1.149 172 D CA 0.103 53.674 54.000 -0.714 0.000 0.850 172 D CB 0.790 41.348 40.800 -0.403 0.000 1.061 172 D HN 0.279 nan 8.370 nan 0.000 0.487 173 I N 3.820 123.686 120.570 -1.173 0.000 2.598 173 I HA 0.073 4.244 4.170 0.001 0.000 0.284 173 I C -1.889 173.875 176.117 -0.589 0.000 1.140 173 I CA -1.503 59.117 61.300 -1.134 0.000 1.420 173 I CB 0.060 37.648 38.000 -0.687 0.000 1.387 173 I HN 0.030 nan 8.210 nan 0.000 0.553 174 P HA 0.033 nan 4.420 nan 0.000 0.269 174 P C 0.464 177.685 177.300 -0.133 0.000 1.215 174 P CA -0.228 62.755 63.100 -0.196 0.000 0.780 174 P CB 0.641 32.302 31.700 -0.065 0.000 0.898 175 E N 0.516 120.661 120.200 -0.090 0.000 2.110 175 E HA -0.113 4.238 4.350 0.001 0.000 0.193 175 E C 0.536 177.123 176.600 -0.021 0.000 0.988 175 E CA 1.148 57.512 56.400 -0.060 0.000 0.804 175 E CB -0.160 29.511 29.700 -0.050 0.000 0.745 175 E HN 0.203 nan 8.360 nan 0.000 0.458 176 L N 1.407 122.631 121.223 0.001 0.000 2.314 176 L HA 0.276 4.617 4.340 0.001 0.000 0.275 176 L C -0.550 176.367 176.870 0.079 0.000 1.068 176 L CA -0.494 54.368 54.840 0.036 0.000 0.894 176 L CB 0.935 43.015 42.059 0.034 0.000 1.275 176 L HN -0.287 nan 8.230 nan 0.000 0.432 177 V N 4.737 124.715 119.914 0.108 0.000 3.102 177 V HA 0.554 4.675 4.120 0.001 0.000 0.312 177 V C -0.331 175.913 176.094 0.250 0.000 1.135 177 V CA -0.973 61.455 62.300 0.214 0.000 1.022 177 V CB 2.678 34.611 31.823 0.184 0.000 1.056 177 V HN 0.804 nan 8.190 nan 0.000 0.436 178 N N 5.163 124.082 118.700 0.366 0.000 2.442 178 N HA 0.327 5.068 4.740 0.001 0.000 0.265 178 N C -0.239 175.517 175.510 0.409 0.000 1.138 178 N CA -0.343 52.884 53.050 0.295 0.000 0.956 178 N CB 0.513 39.108 38.487 0.179 0.000 1.067 178 N HN 0.550 nan 8.380 nan 0.000 0.474 179 M N 1.787 121.545 119.600 0.263 0.000 2.245 179 M HA 0.347 4.828 4.480 0.001 0.000 0.330 179 M C 1.165 177.617 176.300 0.252 0.000 1.098 179 M CA 0.276 55.733 55.300 0.262 0.000 1.172 179 M CB -0.093 32.604 32.600 0.162 0.000 1.467 179 M HN 0.819 nan 8.290 nan 0.000 0.454 180 G N 1.597 110.559 108.800 0.270 0.000 2.302 180 G HA2 -0.006 3.954 3.960 0.001 0.000 0.276 180 G HA3 -0.006 3.954 3.960 0.001 0.000 0.276 180 G C -1.522 173.503 174.900 0.208 0.000 1.316 180 G CA -0.851 44.348 45.100 0.166 0.000 0.988 180 G HN 0.512 nan 8.290 nan 0.000 0.479 181 Q N 0.064 119.893 119.800 0.048 0.000 2.337 181 Q HA 0.422 4.763 4.340 0.001 0.000 0.255 181 Q C -0.878 175.033 176.000 -0.149 0.000 0.997 181 Q CA 0.058 55.856 55.803 -0.009 0.000 0.925 181 Q CB 0.867 29.581 28.738 -0.040 0.000 1.212 181 Q HN 0.423 nan 8.270 nan 0.000 0.436 182 W N 1.998 122.998 121.300 -0.501 0.000 2.415 182 W HA 0.437 5.098 4.660 0.001 0.000 0.355 182 W C 0.485 176.628 176.519 -0.627 0.000 1.161 182 W CA -0.431 56.492 57.345 -0.703 0.000 1.315 182 W CB 1.090 29.780 29.460 -1.283 0.000 1.261 182 W HN 0.172 nan 8.180 nan 0.000 0.636 183 K N 1.759 122.056 120.400 -0.172 0.000 2.426 183 K HA 0.558 4.879 4.320 0.001 0.000 0.251 183 K C -1.225 175.418 176.600 0.072 0.000 0.941 183 K CA -0.988 55.282 56.287 -0.027 0.000 0.808 183 K CB 2.458 34.927 32.500 -0.051 0.000 1.265 183 K HN 0.302 nan 8.250 nan 0.000 0.432 184 I N 2.719 123.353 120.570 0.107 0.000 2.412 184 I HA 0.398 4.569 4.170 0.001 0.000 0.296 184 I C -0.208 175.933 176.117 0.040 0.000 0.987 184 I CA -0.709 60.597 61.300 0.009 0.000 1.180 184 I CB 1.276 39.213 38.000 -0.105 0.000 1.340 184 I HN 0.301 nan 8.210 nan 0.000 0.455 185 R N 5.151 125.673 120.500 0.036 0.000 2.574 185 R HA 0.866 5.207 4.340 0.001 0.000 0.288 185 R C -1.363 175.001 176.300 0.108 0.000 1.004 185 R CA -0.931 55.217 56.100 0.080 0.000 0.895 185 R CB 2.311 32.649 30.300 0.064 0.000 1.191 185 R HN 0.683 nan 8.270 nan 0.000 0.444 186 A N 2.481 125.393 122.820 0.153 0.000 2.515 186 A HA 0.776 5.097 4.320 0.001 0.000 0.298 186 A C -1.656 176.076 177.584 0.246 0.000 1.059 186 A CA -0.824 51.277 52.037 0.105 0.000 0.698 186 A CB 1.433 20.437 19.000 0.007 0.000 1.289 186 A HN 0.768 nan 8.150 nan 0.000 0.404 187 Y N -1.438 118.879 120.300 0.028 0.000 2.571 187 Y HA 0.718 5.269 4.550 0.001 0.000 0.341 187 Y C -1.086 174.812 175.900 -0.002 0.000 1.076 187 Y CA -1.585 56.550 58.100 0.058 0.000 1.029 187 Y CB 0.638 39.121 38.460 0.038 0.000 1.308 187 Y HN 0.594 nan 8.280 nan 0.000 0.461 188 Y N 1.960 122.377 120.300 0.196 0.000 2.610 188 Y HA 0.006 4.556 4.550 0.001 0.000 0.332 188 Y C 1.858 177.827 175.900 0.116 0.000 1.201 188 Y CA 0.750 58.896 58.100 0.078 0.000 1.465 188 Y CB 1.022 39.532 38.460 0.083 0.000 1.283 188 Y HN 0.930 nan 8.280 nan 0.000 0.563 189 E N 1.848 122.148 120.200 0.167 0.000 2.147 189 E HA -0.334 4.016 4.350 0.001 0.000 0.199 189 E C 0.914 177.642 176.600 0.213 0.000 1.005 189 E CA 2.371 58.860 56.400 0.148 0.000 0.810 189 E CB -0.199 29.546 29.700 0.075 0.000 0.736 189 E HN 0.812 nan 8.360 nan 0.000 0.460 190 N N -1.092 117.722 118.700 0.189 0.000 2.416 190 N HA 0.002 4.743 4.740 0.001 0.000 0.177 190 N C -0.452 175.132 175.510 0.124 0.000 1.036 190 N CA 0.666 53.789 53.050 0.122 0.000 0.901 190 N CB 0.307 38.831 38.487 0.061 0.000 0.976 190 N HN 0.024 nan 8.380 nan 0.000 0.444 191 S N 0.639 116.455 115.700 0.193 0.000 2.112 191 S HA 0.266 4.737 4.470 0.001 0.000 0.151 191 S C -2.380 172.320 174.600 0.166 0.000 1.723 191 S CA -1.053 57.236 58.200 0.148 0.000 1.263 191 S CB 1.580 64.868 63.200 0.146 0.000 1.194 191 S HN 0.052 nan 8.310 nan 0.000 0.419 192 P HA -0.095 nan 4.420 nan 0.000 0.230 192 P C 1.484 178.584 177.300 -0.334 0.000 1.158 192 P CA 0.685 63.657 63.100 -0.213 0.000 0.769 192 P CB 0.120 31.689 31.700 -0.218 0.000 0.807 193 Q N -0.017 119.692 119.800 -0.152 0.000 2.408 193 Q HA -0.025 4.315 4.340 0.001 0.000 0.205 193 Q C 0.232 176.147 176.000 -0.141 0.000 0.919 193 Q CA 0.518 56.231 55.803 -0.150 0.000 0.932 193 Q CB -0.534 28.145 28.738 -0.099 0.000 1.058 193 Q HN 0.373 nan 8.270 nan 0.000 0.517 194 Q N 0.581 120.310 119.800 -0.117 0.000 2.398 194 Q HA 0.608 4.948 4.340 0.001 0.000 0.251 194 Q C -1.001 174.809 176.000 -0.316 0.000 0.999 194 Q CA -0.573 55.099 55.803 -0.218 0.000 0.874 194 Q CB 1.977 30.616 28.738 -0.165 0.000 1.215 194 Q HN -0.097 nan 8.270 nan 0.000 0.470 195 V N 4.199 123.883 119.914 -0.383 0.000 2.495 195 V HA 0.516 4.636 4.120 0.001 0.000 0.298 195 V C -0.817 175.040 176.094 -0.395 0.000 1.031 195 V CA -0.692 61.458 62.300 -0.251 0.000 0.871 195 V CB 0.690 32.448 31.823 -0.108 0.000 0.988 195 V HN 0.677 nan 8.190 nan 0.000 0.432 196 F N 1.906 121.878 119.950 0.037 0.000 2.443 196 F HA 0.710 5.238 4.527 0.001 0.000 0.335 196 F C 0.689 176.501 175.800 0.019 0.000 1.104 196 F CA -0.238 57.765 58.000 0.004 0.000 1.013 196 F CB 1.987 40.949 39.000 -0.064 0.000 1.136 196 F HN 0.403 nan 8.300 nan 0.000 0.470 197 S N 0.598 116.414 115.700 0.194 0.000 2.599 197 S HA 0.771 5.242 4.470 0.001 0.000 0.294 197 S C -0.699 173.988 174.600 0.146 0.000 1.094 197 S CA -0.830 57.449 58.200 0.131 0.000 0.931 197 S CB 2.283 65.528 63.200 0.075 0.000 1.093 197 S HN 0.654 nan 8.310 nan 0.000 0.488 198 T N 0.677 115.313 114.554 0.137 0.000 2.894 198 T HA 0.460 4.811 4.350 0.001 0.000 0.309 198 T C -1.739 173.062 174.700 0.168 0.000 1.208 198 T CA -0.532 61.661 62.100 0.155 0.000 1.016 198 T CB 1.609 70.586 68.868 0.182 0.000 1.192 198 T HN 0.594 nan 8.240 nan 0.000 0.491 199 E N 1.455 121.756 120.200 0.169 0.000 2.222 199 E HA 0.685 5.036 4.350 0.001 0.000 0.272 199 E C -1.185 175.596 176.600 0.301 0.000 0.982 199 E CA -0.753 55.738 56.400 0.152 0.000 0.842 199 E CB 1.174 30.922 29.700 0.080 0.000 1.144 199 E HN 0.512 nan 8.360 nan 0.000 0.397 200 F N -0.512 119.551 119.950 0.188 0.000 2.613 200 F HA 0.486 5.014 4.527 0.001 0.000 0.310 200 F C -0.780 175.184 175.800 0.273 0.000 1.085 200 F CA -1.138 57.005 58.000 0.239 0.000 0.945 200 F CB 1.084 40.285 39.000 0.335 0.000 1.298 200 F HN 0.268 nan 8.300 nan 0.000 0.455 201 E N 1.967 122.380 120.200 0.355 0.000 2.216 201 E HA 0.636 4.987 4.350 0.001 0.000 0.279 201 E C -1.690 175.126 176.600 0.360 0.000 0.997 201 E CA -0.865 55.684 56.400 0.248 0.000 0.817 201 E CB 1.865 31.657 29.700 0.153 0.000 1.096 201 E HN 0.659 nan 8.360 nan 0.000 0.393 202 V N 4.938 125.022 119.914 0.284 0.000 2.555 202 V HA 0.550 4.670 4.120 0.001 0.000 0.302 202 V C -0.280 175.959 176.094 0.242 0.000 1.038 202 V CA -0.601 61.853 62.300 0.256 0.000 0.887 202 V CB 1.615 33.476 31.823 0.064 0.000 0.991 202 V HN 0.672 nan 8.190 nan 0.000 0.434 203 K N 2.799 123.353 120.400 0.258 0.000 2.610 203 K HA 0.302 4.623 4.320 0.001 0.000 0.267 203 K C -1.197 175.549 176.600 0.245 0.000 0.943 203 K CA -0.643 55.792 56.287 0.247 0.000 0.862 203 K CB 2.251 34.904 32.500 0.255 0.000 1.376 203 K HN 0.796 nan 8.250 nan 0.000 0.412 204 E N 3.267 123.551 120.200 0.139 0.000 2.290 204 E HA 0.200 4.551 4.350 0.001 0.000 0.277 204 E C -0.949 175.721 176.600 0.117 0.000 1.035 204 E CA -0.087 56.337 56.400 0.038 0.000 0.873 204 E CB 0.375 30.087 29.700 0.020 0.000 1.029 204 E HN 0.442 nan 8.360 nan 0.000 0.419 205 Y N -0.872 119.430 120.300 0.003 0.000 2.702 205 Y HA 0.507 5.058 4.550 0.001 0.000 0.336 205 Y C -1.435 174.456 175.900 -0.015 0.000 1.203 205 Y CA -1.418 56.677 58.100 -0.008 0.000 1.072 205 Y CB 0.501 38.952 38.460 -0.015 0.000 1.327 205 Y HN 0.206 nan 8.280 nan 0.000 0.456 206 V N 0.248 120.265 119.914 0.172 0.000 2.864 206 V HA 0.656 4.776 4.120 0.001 0.000 0.314 206 V C -0.374 175.863 176.094 0.239 0.000 1.073 206 V CA -1.372 61.004 62.300 0.125 0.000 0.956 206 V CB 1.688 33.537 31.823 0.043 0.000 1.023 206 V HN 0.978 nan 8.190 nan 0.000 0.435 207 L N 4.003 125.331 121.223 0.175 0.000 2.456 207 L HA 0.355 4.695 4.340 0.001 0.000 0.272 207 L C -1.690 175.201 176.870 0.034 0.000 1.189 207 L CA -1.085 53.811 54.840 0.092 0.000 0.846 207 L CB 0.578 42.668 42.059 0.052 0.000 1.111 207 L HN 0.605 nan 8.230 nan 0.000 0.475 208 P HA 0.164 nan 4.420 nan 0.000 0.278 208 P C -0.040 177.251 177.300 -0.015 0.000 1.266 208 P CA -0.585 62.467 63.100 -0.081 0.000 0.807 208 P CB 1.206 32.760 31.700 -0.244 0.000 1.094 209 S N -0.885 114.856 115.700 0.068 0.000 2.511 209 S HA 0.227 4.697 4.470 0.001 0.000 0.214 209 S C 0.495 175.317 174.600 0.370 0.000 0.997 209 S CA -0.288 58.075 58.200 0.272 0.000 0.908 209 S CB -0.768 62.684 63.200 0.421 0.000 0.803 209 S HN 0.547 nan 8.310 nan 0.000 0.504 210 F N 1.095 121.067 119.950 0.035 0.000 2.650 210 F HA 0.861 5.389 4.527 0.001 0.000 0.320 210 F C -0.947 174.786 175.800 -0.112 0.000 1.091 210 F CA -1.338 56.585 58.000 -0.129 0.000 0.962 210 F CB 0.945 39.675 39.000 -0.450 0.000 1.363 210 F HN 0.082 nan 8.300 nan 0.000 0.482 211 E N 0.548 120.751 120.200 0.005 0.000 2.221 211 E HA 0.708 5.059 4.350 0.001 0.000 0.268 211 E C -1.768 174.860 176.600 0.046 0.000 0.933 211 E CA -1.259 55.107 56.400 -0.056 0.000 0.809 211 E CB 2.595 32.278 29.700 -0.028 0.000 1.190 211 E HN 0.502 nan 8.360 nan 0.000 0.406 212 V N 3.214 123.124 119.914 -0.007 0.000 2.409 212 V HA 0.323 4.444 4.120 0.001 0.000 0.291 212 V C -0.444 175.647 176.094 -0.004 0.000 1.020 212 V CA -0.792 61.523 62.300 0.026 0.000 0.848 212 V CB 1.223 33.067 31.823 0.034 0.000 0.990 212 V HN 0.650 nan 8.190 nan 0.000 0.430 213 I N 5.422 125.990 120.570 -0.003 0.000 2.377 213 I HA 0.486 4.656 4.170 0.001 0.000 0.293 213 I C -0.398 175.711 176.117 -0.013 0.000 0.987 213 I CA -0.668 60.627 61.300 -0.009 0.000 1.185 213 I CB 1.810 39.806 38.000 -0.007 0.000 1.341 213 I HN 0.235 nan 8.210 nan 0.000 0.455 214 V N 5.239 125.144 119.914 -0.015 0.000 2.350 214 V HA 0.376 4.497 4.120 0.001 0.000 0.285 214 V C -0.260 175.828 176.094 -0.010 0.000 1.014 214 V CA -0.436 61.850 62.300 -0.022 0.000 0.831 214 V CB 1.517 33.317 31.823 -0.039 0.000 1.000 214 V HN 0.722 nan 8.190 nan 0.000 0.433 215 E N 7.563 127.761 120.200 -0.004 0.000 2.373 215 E HA 0.468 4.819 4.350 0.001 0.000 0.251 215 E C -2.804 173.801 176.600 0.009 0.000 0.923 215 E CA -2.011 54.391 56.400 0.004 0.000 0.798 215 E CB 2.250 31.951 29.700 0.001 0.000 1.303 215 E HN 0.402 nan 8.360 nan 0.000 0.412 216 P HA 0.058 nan 4.420 nan 0.000 0.272 216 P C 0.515 177.803 177.300 -0.020 0.000 1.223 216 P CA -0.178 62.929 63.100 0.012 0.000 0.784 216 P CB 1.108 32.821 31.700 0.020 0.000 0.923 217 T N -0.579 113.955 114.554 -0.034 0.000 2.833 217 T HA -0.094 4.256 4.350 0.001 0.000 0.269 217 T C 0.568 175.209 174.700 -0.099 0.000 1.054 217 T CA 1.196 63.265 62.100 -0.052 0.000 1.135 217 T CB -0.294 68.546 68.868 -0.048 0.000 0.869 217 T HN 0.495 nan 8.240 nan 0.000 0.466 218 E N 0.350 120.443 120.200 -0.178 0.000 2.312 218 E HA 0.378 4.729 4.350 0.001 0.000 0.267 218 E C -0.528 175.920 176.600 -0.254 0.000 0.894 218 E CA -0.763 55.436 56.400 -0.335 0.000 0.773 218 E CB 1.895 31.120 29.700 -0.791 0.000 1.241 218 E HN 0.110 nan 8.360 nan 0.000 0.432 219 K N 1.345 121.670 120.400 -0.126 0.000 2.551 219 K HA 0.158 4.479 4.320 0.001 0.000 0.204 219 K C -0.505 176.213 176.600 0.198 0.000 1.033 219 K CA 0.232 56.556 56.287 0.063 0.000 1.187 219 K CB -0.413 32.163 32.500 0.125 0.000 0.900 219 K HN 0.294 nan 8.250 nan 0.000 0.499 220 F N -3.306 116.674 119.950 0.049 0.000 2.741 220 F HA 0.381 4.908 4.527 0.001 0.000 0.313 220 F C -1.477 174.402 175.800 0.132 0.000 1.153 220 F CA -1.872 56.165 58.000 0.063 0.000 0.931 220 F CB 0.724 39.724 39.000 -0.000 0.000 1.335 220 F HN -0.207 nan 8.300 nan 0.000 0.460 221 Y N 2.349 122.775 120.300 0.209 0.000 2.328 221 Y HA 0.478 5.029 4.550 0.001 0.000 0.333 221 Y C -1.392 174.676 175.900 0.281 0.000 0.958 221 Y CA -1.826 56.346 58.100 0.120 0.000 1.167 221 Y CB 0.847 39.319 38.460 0.020 0.000 1.151 221 Y HN 0.713 nan 8.280 nan 0.000 0.470 222 Y N 7.834 127.826 120.300 -0.514 0.000 2.531 222 Y HA 0.165 4.716 4.550 0.001 0.000 0.347 222 Y C 0.911 176.245 175.900 -0.943 0.000 1.024 222 Y CA -0.738 57.081 58.100 -0.467 0.000 1.306 222 Y CB 0.545 38.922 38.460 -0.138 0.000 1.149 222 Y HN 0.844 nan 8.280 nan 0.000 0.527 223 I N 6.020 126.053 120.570 -0.895 0.000 2.657 223 I HA -0.274 3.897 4.170 0.001 0.000 0.261 223 I C 0.523 176.051 176.117 -0.982 0.000 1.212 223 I CA 1.556 62.340 61.300 -0.860 0.000 1.453 223 I CB -0.303 37.316 38.000 -0.636 0.000 1.092 223 I HN 0.665 nan 8.210 nan 0.000 0.452 224 Y N -0.972 118.643 120.300 -1.141 0.000 2.485 224 Y HA 0.295 4.846 4.550 0.001 0.000 0.260 224 Y C 0.801 176.321 175.900 -0.634 0.000 1.173 224 Y CA -0.977 56.623 58.100 -0.833 0.000 1.252 224 Y CB -1.050 36.999 38.460 -0.685 0.000 1.123 224 Y HN 0.110 nan 8.280 nan 0.000 0.524 225 N N 2.052 120.424 118.700 -0.546 0.000 2.420 225 N HA -0.033 4.707 4.740 0.001 0.000 0.262 225 N C 0.882 176.413 175.510 0.034 0.000 1.144 225 N CA 0.097 53.091 53.050 -0.092 0.000 0.952 225 N CB 0.729 39.222 38.487 0.009 0.000 1.081 225 N HN 0.520 nan 8.380 nan 0.000 0.480 226 E N 2.666 122.895 120.200 0.047 0.000 2.338 226 E HA -0.135 4.216 4.350 0.001 0.000 0.197 226 E C 0.674 177.302 176.600 0.047 0.000 1.007 226 E CA 1.065 57.492 56.400 0.046 0.000 0.849 226 E CB 0.006 29.725 29.700 0.032 0.000 0.774 226 E HN 0.543 nan 8.360 nan 0.000 0.506 227 K N 0.780 121.219 120.400 0.064 0.000 2.486 227 K HA 0.104 4.424 4.320 0.001 0.000 0.194 227 K C 0.900 177.513 176.600 0.020 0.000 1.033 227 K CA 0.346 56.656 56.287 0.038 0.000 1.004 227 K CB 0.163 32.687 32.500 0.039 0.000 0.798 227 K HN 0.297 nan 8.250 nan 0.000 0.495 228 G N 1.555 110.395 108.800 0.067 0.000 2.593 228 G HA2 -0.286 3.675 3.960 0.001 0.000 0.237 228 G HA3 -0.286 3.675 3.960 0.001 0.000 0.237 228 G C -1.127 173.742 174.900 -0.050 0.000 1.312 228 G CA -0.435 44.630 45.100 -0.058 0.000 0.896 228 G HN 0.168 nan 8.290 nan 0.000 0.574 229 L N 1.199 122.229 121.223 -0.322 0.000 2.264 229 L HA 0.679 5.020 4.340 0.001 0.000 0.287 229 L C 0.279 177.080 176.870 -0.115 0.000 1.039 229 L CA -0.368 54.349 54.840 -0.205 0.000 0.829 229 L CB 0.766 42.619 42.059 -0.343 0.000 1.211 229 L HN 0.569 nan 8.230 nan 0.000 0.427 230 E N 3.845 124.028 120.200 -0.029 0.000 2.229 230 E HA 0.478 4.829 4.350 0.001 0.000 0.283 230 E C -1.058 175.564 176.600 0.038 0.000 1.030 230 E CA -0.401 56.000 56.400 0.001 0.000 0.836 230 E CB 1.714 31.411 29.700 -0.005 0.000 1.068 230 E HN 0.415 nan 8.360 nan 0.000 0.401 231 V N 2.553 122.513 119.914 0.078 0.000 2.656 231 V HA 0.378 4.498 4.120 0.001 0.000 0.307 231 V C -0.006 176.113 176.094 0.042 0.000 1.051 231 V CA -0.791 61.555 62.300 0.077 0.000 0.893 231 V CB 2.138 34.044 31.823 0.137 0.000 0.999 231 V HN 0.752 nan 8.190 nan 0.000 0.426 232 T N 4.116 118.681 114.554 0.017 0.000 2.855 232 T HA 0.790 5.141 4.350 0.001 0.000 0.281 232 T C -0.927 173.768 174.700 -0.008 0.000 1.007 232 T CA -0.396 61.706 62.100 0.003 0.000 1.009 232 T CB 0.995 69.862 68.868 -0.002 0.000 0.983 232 T HN 0.343 nan 8.240 nan 0.000 0.455 233 I N 4.139 124.699 120.570 -0.017 0.000 2.389 233 I HA 0.376 4.547 4.170 0.001 0.000 0.288 233 I C 0.464 176.563 176.117 -0.030 0.000 0.999 233 I CA -0.496 60.789 61.300 -0.025 0.000 1.129 233 I CB 2.158 40.138 38.000 -0.033 0.000 1.288 233 I HN 0.788 nan 8.210 nan 0.000 0.444 234 T N 2.879 117.417 114.554 -0.027 0.000 2.823 234 T HA 0.893 5.244 4.350 0.001 0.000 0.279 234 T C -0.339 174.339 174.700 -0.036 0.000 0.998 234 T CA -0.855 61.223 62.100 -0.037 0.000 0.994 234 T CB 1.817 70.668 68.868 -0.028 0.000 0.960 234 T HN 0.640 nan 8.240 nan 0.000 0.448 235 A N 3.532 126.308 122.820 -0.073 0.000 2.331 235 A HA 0.858 5.179 4.320 0.001 0.000 0.320 235 A C -0.142 177.337 177.584 -0.175 0.000 1.138 235 A CA -1.265 50.723 52.037 -0.081 0.000 0.790 235 A CB 0.953 19.864 19.000 -0.148 0.000 1.206 235 A HN 1.008 nan 8.150 nan 0.000 0.470 236 R N 1.395 121.811 120.500 -0.140 0.000 2.604 236 R HA 0.656 4.997 4.340 0.001 0.000 0.281 236 R C -1.392 174.777 176.300 -0.217 0.000 1.020 236 R CA -0.679 55.297 56.100 -0.206 0.000 0.899 236 R CB 0.828 31.076 30.300 -0.086 0.000 1.205 236 R HN 0.386 nan 8.270 nan 0.000 0.450 237 F N 1.850 121.694 119.950 -0.176 0.000 2.626 237 F HA -0.030 4.498 4.527 0.001 0.000 0.354 237 F C 1.735 177.309 175.800 -0.376 0.000 1.168 237 F CA -0.033 57.751 58.000 -0.361 0.000 1.368 237 F CB 0.464 38.908 39.000 -0.927 0.000 1.092 237 F HN 0.445 nan 8.300 nan 0.000 0.612 238 L N 1.724 122.903 121.223 -0.072 0.000 2.362 238 L HA -0.223 4.117 4.340 0.001 0.000 0.219 238 L C 1.584 178.471 176.870 0.028 0.000 1.134 238 L CA 0.875 55.715 54.840 0.000 0.000 0.807 238 L CB -0.624 41.478 42.059 0.072 0.000 0.927 238 L HN 0.734 nan 8.230 nan 0.000 0.447 239 Y N -2.472 117.922 120.300 0.155 0.000 2.466 239 Y HA 0.508 5.059 4.550 0.001 0.000 0.272 239 Y C 1.563 177.523 175.900 0.101 0.000 1.169 239 Y CA 0.133 58.293 58.100 0.099 0.000 1.285 239 Y CB -0.133 38.364 38.460 0.062 0.000 1.078 239 Y HN 0.009 nan 8.280 nan 0.000 0.523 240 G N -0.453 108.343 108.800 -0.007 0.000 3.288 240 G HA2 -0.147 3.814 3.960 0.001 0.000 0.195 240 G HA3 -0.147 3.814 3.960 0.001 0.000 0.195 240 G C 0.295 175.223 174.900 0.047 0.000 1.093 240 G CA -0.663 44.474 45.100 0.062 0.000 0.852 240 G HN 0.033 nan 8.290 nan 0.000 0.453 241 K N 1.202 121.649 120.400 0.078 0.000 2.149 241 K HA 0.499 4.819 4.320 0.001 0.000 0.245 241 K C 0.338 177.031 176.600 0.155 0.000 1.024 241 K CA -0.035 56.363 56.287 0.186 0.000 0.899 241 K CB 0.493 33.189 32.500 0.327 0.000 1.038 241 K HN 0.340 nan 8.250 nan 0.000 0.496 242 K N 0.387 120.865 120.400 0.130 0.000 2.143 242 K HA 0.285 4.606 4.320 0.001 0.000 0.272 242 K C -0.466 176.110 176.600 -0.040 0.000 1.001 242 K CA -0.623 55.667 56.287 0.005 0.000 0.915 242 K CB 1.315 33.817 32.500 0.004 0.000 1.047 242 K HN 0.118 nan 8.250 nan 0.000 0.458 243 V N 3.856 123.590 119.914 -0.300 0.000 2.465 243 V HA 0.096 4.216 4.120 0.001 0.000 0.279 243 V C -0.057 175.877 176.094 -0.266 0.000 1.045 243 V CA -0.546 61.462 62.300 -0.487 0.000 0.938 243 V CB 1.261 32.530 31.823 -0.923 0.000 0.986 243 V HN 0.689 nan 8.190 nan 0.000 0.467 244 E N 3.448 123.540 120.200 -0.181 0.000 2.231 244 E HA 0.773 5.124 4.350 0.001 0.000 0.277 244 E C 0.290 176.590 176.600 -0.500 0.000 0.999 244 E CA -0.203 56.103 56.400 -0.156 0.000 0.827 244 E CB 2.194 31.947 29.700 0.088 0.000 1.101 244 E HN 0.882 nan 8.360 nan 0.000 0.393 245 G N 0.828 109.231 108.800 -0.661 0.000 2.335 245 G HA2 0.308 4.268 3.960 0.001 0.000 0.291 245 G HA3 0.308 4.268 3.960 0.001 0.000 0.291 245 G C -1.286 173.373 174.900 -0.401 0.000 1.261 245 G CA -0.583 43.987 45.100 -0.883 0.000 0.871 245 G HN 0.360 nan 8.290 nan 0.000 0.491 246 T N 0.382 114.784 114.554 -0.253 0.000 2.928 246 T HA 0.726 5.077 4.350 0.001 0.000 0.296 246 T C -0.222 174.358 174.700 -0.200 0.000 1.000 246 T CA 0.399 62.389 62.100 -0.183 0.000 0.989 246 T CB 1.431 70.225 68.868 -0.123 0.000 1.005 246 T HN 1.416 nan 8.240 nan 0.000 0.442 247 A N 3.003 125.669 122.820 -0.257 0.000 2.317 247 A HA 0.862 5.183 4.320 0.001 0.000 0.327 247 A C -1.027 176.335 177.584 -0.370 0.000 1.178 247 A CA -0.598 51.333 52.037 -0.177 0.000 0.817 247 A CB 0.407 19.350 19.000 -0.096 0.000 1.189 247 A HN 0.742 nan 8.150 nan 0.000 0.489 248 F N 1.792 121.737 119.950 -0.009 0.000 2.411 248 F HA 0.521 5.049 4.527 0.001 0.000 0.352 248 F C -0.004 175.775 175.800 -0.034 0.000 1.123 248 F CA -0.492 57.502 58.000 -0.009 0.000 1.044 248 F CB 2.083 41.082 39.000 -0.001 0.000 1.135 248 F HN 0.237 nan 8.300 nan 0.000 0.461 249 V N 5.644 125.609 119.914 0.085 0.000 2.483 249 V HA 0.479 4.599 4.120 0.001 0.000 0.297 249 V C -0.477 175.598 176.094 -0.032 0.000 1.027 249 V CA -0.795 61.481 62.300 -0.040 0.000 0.855 249 V CB 1.968 33.733 31.823 -0.096 0.000 0.995 249 V HN 0.724 nan 8.190 nan 0.000 0.424 250 I N 4.242 124.744 120.570 -0.114 0.000 2.608 250 I HA 0.661 4.832 4.170 0.001 0.000 0.295 250 I C -1.271 174.728 176.117 -0.197 0.000 1.049 250 I CA -0.611 60.671 61.300 -0.030 0.000 1.063 250 I CB 2.130 40.159 38.000 0.049 0.000 1.248 250 I HN 0.495 nan 8.210 nan 0.000 0.424 251 F N 4.116 123.997 119.950 -0.115 0.000 2.509 251 F HA 0.849 5.377 4.527 0.001 0.000 0.334 251 F C 0.804 176.349 175.800 -0.425 0.000 1.060 251 F CA -0.459 57.385 58.000 -0.261 0.000 0.997 251 F CB 1.889 40.747 39.000 -0.238 0.000 1.271 251 F HN 0.446 nan 8.300 nan 0.000 0.488 252 G N 0.203 108.584 108.800 -0.698 0.000 2.687 252 G HA2 0.615 4.576 3.960 0.001 0.000 0.291 252 G HA3 0.615 4.576 3.960 0.001 0.000 0.291 252 G C -2.271 172.215 174.900 -0.689 0.000 1.420 252 G CA -0.707 43.911 45.100 -0.803 0.000 0.796 252 G HN 0.693 nan 8.290 nan 0.000 0.485 253 I N -0.370 120.071 120.570 -0.215 0.000 2.569 253 I HA 0.618 4.789 4.170 0.001 0.000 0.296 253 I C -0.728 175.505 176.117 0.193 0.000 1.028 253 I CA -0.829 60.467 61.300 -0.007 0.000 1.082 253 I CB 2.231 40.224 38.000 -0.012 0.000 1.264 253 I HN 0.528 nan 8.210 nan 0.000 0.429 254 Q N 4.994 124.918 119.800 0.206 0.000 2.365 254 Q HA 0.340 4.681 4.340 0.001 0.000 0.269 254 Q C -1.778 174.288 176.000 0.110 0.000 1.061 254 Q CA -0.683 55.235 55.803 0.191 0.000 0.816 254 Q CB 1.876 30.741 28.738 0.211 0.000 1.325 254 Q HN 0.545 nan 8.270 nan 0.000 0.446 255 D N 2.522 122.971 120.400 0.082 0.000 2.363 255 D HA 0.298 4.938 4.640 0.001 0.000 0.258 255 D C -0.616 175.712 176.300 0.046 0.000 1.259 255 D CA 0.283 54.319 54.000 0.059 0.000 0.921 255 D CB 0.601 41.430 40.800 0.049 0.000 1.201 255 D HN 0.819 nan 8.370 nan 0.000 0.524 256 G N 3.426 112.252 108.800 0.044 0.000 2.329 256 G HA2 -0.242 3.719 3.960 0.001 0.000 0.204 256 G HA3 -0.242 3.719 3.960 0.001 0.000 0.204 256 G C 0.690 175.605 174.900 0.025 0.000 0.435 256 G CA 1.176 46.295 45.100 0.033 0.000 0.977 256 G HN 0.716 nan 8.290 nan 0.000 0.366 257 E N -0.748 119.462 120.200 0.017 0.000 4.924 257 E HA -0.326 4.025 4.350 0.001 0.000 0.229 257 E C 0.868 177.470 176.600 0.003 0.000 0.912 257 E CA 1.963 58.365 56.400 0.004 0.000 1.857 257 E CB -0.984 28.718 29.700 0.004 0.000 1.787 257 E HN 0.973 nan 8.360 nan 0.000 0.427 258 Q N 0.984 120.796 119.800 0.020 0.000 2.256 258 Q HA 0.338 4.679 4.340 0.001 0.000 0.254 258 Q C -0.929 175.104 176.000 0.055 0.000 0.916 258 Q CA -0.362 55.458 55.803 0.029 0.000 0.932 258 Q CB 0.812 29.570 28.738 0.033 0.000 1.207 258 Q HN 0.127 nan 8.270 nan 0.000 0.426 259 R N 3.983 124.519 120.500 0.060 0.000 2.494 259 R HA 0.517 4.857 4.340 0.001 0.000 0.305 259 R C -0.625 175.769 176.300 0.157 0.000 0.959 259 R CA -0.754 55.432 56.100 0.143 0.000 0.864 259 R CB 1.377 31.704 30.300 0.045 0.000 1.159 259 R HN 0.568 nan 8.270 nan 0.000 0.446 260 I N 1.715 122.397 120.570 0.188 0.000 2.355 260 I HA 0.169 4.340 4.170 0.001 0.000 0.288 260 I C 0.554 176.749 176.117 0.130 0.000 0.999 260 I CA -0.433 60.942 61.300 0.125 0.000 1.163 260 I CB 1.418 39.459 38.000 0.068 0.000 1.316 260 I HN 0.521 nan 8.210 nan 0.000 0.454 261 S N 6.614 122.392 115.700 0.131 0.000 2.549 261 S HA 0.383 4.853 4.470 0.001 0.000 0.283 261 S C -0.007 174.608 174.600 0.024 0.000 1.320 261 S CA -0.374 57.879 58.200 0.088 0.000 1.058 261 S CB 0.250 63.512 63.200 0.103 0.000 0.882 261 S HN 0.456 nan 8.310 nan 0.000 0.498 262 L N 7.867 129.084 121.223 -0.009 0.000 2.353 262 L HA 0.321 4.662 4.340 0.001 0.000 0.269 262 L C -1.413 175.468 176.870 0.019 0.000 1.085 262 L CA -1.660 53.175 54.840 -0.008 0.000 0.938 262 L CB 0.901 42.935 42.059 -0.043 0.000 1.312 262 L HN 0.555 nan 8.230 nan 0.000 0.429 263 P HA -0.172 nan 4.420 nan 0.000 0.219 263 P C 0.738 178.058 177.300 0.034 0.000 1.146 263 P CA 1.191 64.311 63.100 0.034 0.000 0.808 263 P CB 0.333 32.050 31.700 0.027 0.000 0.779 264 E N 0.040 120.251 120.200 0.018 0.000 2.511 264 E HA -0.028 4.323 4.350 0.001 0.000 0.196 264 E C 1.718 178.328 176.600 0.017 0.000 1.066 264 E CA 0.701 57.109 56.400 0.013 0.000 0.871 264 E CB -0.524 29.173 29.700 -0.004 0.000 0.863 264 E HN 0.403 nan 8.360 nan 0.000 0.520 265 S N 0.444 116.165 115.700 0.035 0.000 2.593 265 S HA 0.008 4.479 4.470 0.001 0.000 0.217 265 S C 0.907 175.600 174.600 0.155 0.000 0.966 265 S CA -0.450 57.791 58.200 0.069 0.000 0.914 265 S CB -0.351 62.904 63.200 0.090 0.000 0.776 265 S HN 0.135 nan 8.310 nan 0.000 0.523 266 L N 3.364 124.655 121.223 0.114 0.000 2.562 266 L HA 0.335 4.676 4.340 0.001 0.000 0.271 266 L C -0.507 176.430 176.870 0.112 0.000 1.167 266 L CA 0.577 55.490 54.840 0.123 0.000 0.917 266 L CB 0.067 42.191 42.059 0.108 0.000 1.187 266 L HN 0.062 nan 8.230 nan 0.000 0.482 267 K N 5.872 126.341 120.400 0.115 0.000 2.316 267 K HA 0.426 4.747 4.320 0.001 0.000 0.251 267 K C -0.914 175.692 176.600 0.010 0.000 0.934 267 K CA -0.749 55.576 56.287 0.064 0.000 0.802 267 K CB 2.305 34.841 32.500 0.061 0.000 1.171 267 K HN 0.588 nan 8.250 nan 0.000 0.426 268 R N 3.729 124.187 120.500 -0.070 0.000 2.295 268 R HA 0.464 4.804 4.340 0.001 0.000 0.324 268 R C -0.363 175.796 176.300 -0.235 0.000 0.968 268 R CA -0.429 55.480 56.100 -0.319 0.000 0.837 268 R CB 0.398 30.505 30.300 -0.321 0.000 1.133 268 R HN 0.767 nan 8.270 nan 0.000 0.450 269 I N 1.125 121.538 120.570 -0.262 0.000 2.828 269 I HA 0.650 4.821 4.170 0.001 0.000 0.302 269 I C -2.746 173.281 176.117 -0.150 0.000 1.101 269 I CA -3.384 57.825 61.300 -0.152 0.000 1.031 269 I CB 2.588 40.531 38.000 -0.094 0.000 1.231 269 I HN 0.418 nan 8.210 nan 0.000 0.427 270 P HA 0.279 nan 4.420 nan 0.000 0.276 270 P C -0.771 176.492 177.300 -0.061 0.000 1.230 270 P CA -0.128 62.943 63.100 -0.049 0.000 0.776 270 P CB 0.600 32.292 31.700 -0.013 0.000 0.888 271 I N 3.396 123.919 120.570 -0.077 0.000 2.307 271 I HA 0.201 4.372 4.170 0.001 0.000 0.287 271 I C 0.509 176.591 176.117 -0.059 0.000 1.054 271 I CA -0.158 61.087 61.300 -0.091 0.000 1.218 271 I CB -0.149 37.760 38.000 -0.151 0.000 1.398 271 I HN 0.323 nan 8.210 nan 0.000 0.475 272 E N 4.657 124.838 120.200 -0.032 0.000 2.133 272 E HA 0.210 4.560 4.350 0.001 0.000 0.274 272 E C -0.430 176.159 176.600 -0.017 0.000 0.930 272 E CA -0.608 55.788 56.400 -0.006 0.000 0.770 272 E CB 1.287 30.991 29.700 0.005 0.000 1.104 272 E HN 0.393 nan 8.360 nan 0.000 0.403 273 D N 2.522 122.915 120.400 -0.011 0.000 2.689 273 D HA -0.182 4.459 4.640 0.001 0.000 0.237 273 D C 0.688 176.966 176.300 -0.037 0.000 1.148 273 D CA 1.583 55.575 54.000 -0.013 0.000 0.656 273 D CB -1.126 39.673 40.800 -0.002 0.000 1.050 273 D HN 0.954 nan 8.370 nan 0.000 0.426 274 G N -0.904 107.852 108.800 -0.074 0.000 2.225 274 G HA2 -0.193 3.768 3.960 0.001 0.000 0.267 274 G HA3 -0.193 3.768 3.960 0.001 0.000 0.267 274 G C 0.179 175.032 174.900 -0.078 0.000 1.024 274 G CA 0.787 45.823 45.100 -0.106 0.000 0.784 274 G HN 1.067 nan 8.290 nan 0.000 0.507 275 S N -1.353 114.310 115.700 -0.063 0.000 2.543 275 S HA 0.813 5.283 4.470 0.001 0.000 0.271 275 S C 0.002 174.576 174.600 -0.042 0.000 1.148 275 S CA 0.526 58.700 58.200 -0.044 0.000 0.914 275 S CB 1.691 64.874 63.200 -0.029 0.000 1.096 275 S HN 1.723 nan 8.310 nan 0.000 0.471 276 G N 2.340 111.118 108.800 -0.038 0.000 2.690 276 G HA2 0.650 4.610 3.960 0.001 0.000 0.293 276 G HA3 0.650 4.610 3.960 0.001 0.000 0.293 276 G C -1.899 172.989 174.900 -0.019 0.000 1.399 276 G CA -0.596 44.485 45.100 -0.032 0.000 0.890 276 G HN 0.551 nan 8.290 nan 0.000 0.485 277 E N -1.128 119.065 120.200 -0.012 0.000 2.222 277 E HA 0.722 5.072 4.350 0.001 0.000 0.267 277 E C -0.912 175.696 176.600 0.013 0.000 0.963 277 E CA -0.677 55.724 56.400 0.002 0.000 0.837 277 E CB 2.871 32.572 29.700 0.001 0.000 1.183 277 E HN 0.460 nan 8.360 nan 0.000 0.403 278 V N 2.043 121.982 119.914 0.042 0.000 2.924 278 V HA 0.411 4.532 4.120 0.001 0.000 0.300 278 V C -1.546 174.609 176.094 0.101 0.000 1.227 278 V CA -0.620 61.728 62.300 0.079 0.000 0.954 278 V CB 2.022 33.915 31.823 0.117 0.000 1.055 278 V HN 0.450 nan 8.190 nan 0.000 0.429 279 V N 6.282 126.216 119.914 0.033 0.000 2.630 279 V HA 0.557 4.678 4.120 0.001 0.000 0.305 279 V C -0.367 175.561 176.094 -0.277 0.000 1.046 279 V CA -0.770 61.483 62.300 -0.080 0.000 0.934 279 V CB 1.758 33.527 31.823 -0.091 0.000 1.003 279 V HN 0.768 nan 8.190 nan 0.000 0.451 280 L N 4.630 125.476 121.223 -0.628 0.000 2.264 280 L HA 0.506 4.846 4.340 0.001 0.000 0.287 280 L C 0.608 177.189 176.870 -0.481 0.000 1.039 280 L CA 0.224 54.558 54.840 -0.844 0.000 0.829 280 L CB 1.050 42.222 42.059 -1.477 0.000 1.211 280 L HN 0.823 nan 8.230 nan 0.000 0.427 281 S N 3.916 119.429 115.700 -0.311 0.000 2.572 281 S HA 0.171 4.642 4.470 0.001 0.000 0.279 281 S C 1.259 175.734 174.600 -0.208 0.000 1.341 281 S CA -0.219 57.860 58.200 -0.201 0.000 1.043 281 S CB 0.754 63.878 63.200 -0.127 0.000 0.887 281 S HN 0.843 nan 8.310 nan 0.000 0.516 282 R N 1.668 122.088 120.500 -0.134 0.000 2.105 282 R HA -0.164 4.177 4.340 0.001 0.000 0.239 282 R C 2.287 178.541 176.300 -0.077 0.000 1.135 282 R CA 1.943 57.993 56.100 -0.084 0.000 0.967 282 R CB -0.375 29.934 30.300 0.016 0.000 0.861 282 R HN 0.885 nan 8.270 nan 0.000 0.442 283 K N -0.152 120.209 120.400 -0.066 0.000 2.032 283 K HA -0.129 4.191 4.320 0.001 0.000 0.209 283 K C 1.833 178.393 176.600 -0.067 0.000 1.048 283 K CA 1.702 57.958 56.287 -0.053 0.000 0.927 283 K CB -0.102 32.372 32.500 -0.043 0.000 0.712 283 K HN 0.027 nan 8.250 nan 0.000 0.441 284 V N 1.322 121.180 119.914 -0.095 0.000 2.427 284 V HA -0.210 3.911 4.120 0.001 0.000 0.248 284 V C 2.208 178.235 176.094 -0.112 0.000 1.051 284 V CA 1.485 63.726 62.300 -0.099 0.000 1.048 284 V CB -0.396 31.357 31.823 -0.117 0.000 0.666 284 V HN 0.395 nan 8.190 nan 0.000 0.456 285 L N -0.165 120.966 121.223 -0.154 0.000 1.989 285 L HA -0.154 4.186 4.340 0.001 0.000 0.211 285 L C 2.173 178.993 176.870 -0.084 0.000 1.071 285 L CA 2.073 56.823 54.840 -0.149 0.000 0.749 285 L CB -0.644 41.287 42.059 -0.214 0.000 0.890 285 L HN 0.196 nan 8.230 nan 0.000 0.431 286 L N -0.817 120.369 121.223 -0.063 0.000 2.093 286 L HA -0.158 4.183 4.340 0.001 0.000 0.208 286 L C 2.216 179.069 176.870 -0.028 0.000 1.085 286 L CA 1.127 55.947 54.840 -0.034 0.000 0.755 286 L CB -0.844 41.203 42.059 -0.019 0.000 0.904 286 L HN 0.276 nan 8.230 nan 0.000 0.435 287 D N 0.385 120.765 120.400 -0.033 0.000 2.144 287 D HA -0.126 4.515 4.640 0.001 0.000 0.199 287 D C 2.030 178.316 176.300 -0.023 0.000 0.984 287 D CA 1.430 55.415 54.000 -0.025 0.000 0.834 287 D CB -0.141 40.642 40.800 -0.028 0.000 0.955 287 D HN 0.311 nan 8.370 nan 0.000 0.465 288 G N -0.044 108.736 108.800 -0.033 0.000 2.985 288 G HA2 0.176 4.137 3.960 0.001 0.000 0.209 288 G HA3 0.176 4.137 3.960 0.001 0.000 0.209 288 G C 0.658 175.547 174.900 -0.019 0.000 1.165 288 G CA 0.398 45.482 45.100 -0.027 0.000 0.776 288 G HN 0.258 nan 8.290 nan 0.000 0.541 289 V N -2.219 117.684 119.914 -0.018 0.000 2.975 289 V HA 0.519 4.640 4.120 0.001 0.000 0.318 289 V C 0.888 176.981 176.094 -0.003 0.000 1.077 289 V CA -0.603 61.691 62.300 -0.009 0.000 1.000 289 V CB 1.855 33.672 31.823 -0.010 0.000 1.066 289 V HN 0.297 nan 8.190 nan 0.000 0.452 290 Q N 0.765 120.567 119.800 0.003 0.000 2.425 290 Q HA 0.183 4.524 4.340 0.001 0.000 0.204 290 Q C -0.028 175.975 176.000 0.005 0.000 0.933 290 Q CA 0.050 55.856 55.803 0.005 0.000 0.939 290 Q CB -0.197 28.546 28.738 0.008 0.000 1.044 290 Q HN 0.807 nan 8.270 nan 0.000 0.513 291 N N 2.525 121.228 118.700 0.005 0.000 2.442 291 N HA 0.073 4.813 4.740 0.001 0.000 0.265 291 N C 0.933 176.447 175.510 0.005 0.000 1.138 291 N CA 0.055 53.109 53.050 0.006 0.000 0.956 291 N CB 1.286 39.777 38.487 0.006 0.000 1.067 291 N HN 0.329 nan 8.380 nan 0.000 0.474 292 L N -0.062 121.166 121.223 0.008 0.000 2.395 292 L HA 0.202 4.542 4.340 0.001 0.000 0.218 292 L C 0.428 177.305 176.870 0.011 0.000 1.130 292 L CA 0.845 55.689 54.840 0.008 0.000 0.826 292 L CB -0.172 41.892 42.059 0.008 0.000 0.941 292 L HN 0.205 nan 8.230 nan 0.000 0.451 293 R N -0.006 120.502 120.500 0.014 0.000 2.534 293 R HA 0.545 4.886 4.340 0.001 0.000 0.301 293 R C 0.989 177.298 176.300 0.016 0.000 0.961 293 R CA 0.218 56.331 56.100 0.021 0.000 0.871 293 R CB 1.887 32.203 30.300 0.026 0.000 1.170 293 R HN -0.001 nan 8.270 nan 0.000 0.446 294 A N 2.729 125.561 122.820 0.021 0.000 1.915 294 A HA -0.296 4.025 4.320 0.001 0.000 0.220 294 A C 1.528 179.088 177.584 -0.040 0.000 1.198 294 A CA 1.990 54.023 52.037 -0.008 0.000 0.647 294 A CB -0.357 18.647 19.000 0.007 0.000 0.825 294 A HN 0.844 nan 8.150 nan 0.000 0.456 295 E N 0.460 120.655 120.200 -0.008 0.000 2.187 295 E HA -0.191 4.159 4.350 0.001 0.000 0.199 295 E C 1.392 177.984 176.600 -0.014 0.000 1.004 295 E CA 1.382 57.773 56.400 -0.014 0.000 0.813 295 E CB -0.339 29.390 29.700 0.049 0.000 0.736 295 E HN 0.626 nan 8.360 nan 0.000 0.468 296 D N -0.457 119.942 120.400 -0.001 0.000 2.309 296 D HA -0.104 4.537 4.640 0.001 0.000 0.212 296 D C 1.201 177.502 176.300 0.001 0.000 0.968 296 D CA 0.572 54.575 54.000 0.004 0.000 0.882 296 D CB 0.054 40.859 40.800 0.009 0.000 0.918 296 D HN 0.134 nan 8.370 nan 0.000 0.503 297 L N 0.286 121.504 121.223 -0.009 0.000 2.509 297 L HA 0.044 4.385 4.340 0.001 0.000 0.222 297 L C 0.473 177.344 176.870 0.003 0.000 1.123 297 L CA 0.286 55.127 54.840 0.001 0.000 0.856 297 L CB -0.148 41.913 42.059 0.003 0.000 0.985 297 L HN -0.217 nan 8.230 nan 0.000 0.456 298 V N 0.466 120.369 119.914 -0.020 0.000 2.585 298 V HA 0.390 4.511 4.120 0.001 0.000 0.296 298 V C 1.434 177.532 176.094 0.006 0.000 1.035 298 V CA 0.899 63.188 62.300 -0.018 0.000 1.084 298 V CB 0.230 32.029 31.823 -0.040 0.000 0.953 298 V HN 0.630 nan 8.190 nan 0.000 0.483 299 G N 4.280 113.091 108.800 0.018 0.000 2.254 299 G HA2 -0.210 3.751 3.960 0.001 0.000 0.225 299 G HA3 -0.210 3.751 3.960 0.001 0.000 0.225 299 G C 0.292 175.217 174.900 0.042 0.000 1.003 299 G CA 0.142 45.259 45.100 0.028 0.000 0.622 299 G HN 0.618 nan 8.290 nan 0.000 0.507 300 K N 0.857 121.285 120.400 0.047 0.000 2.155 300 K HA 0.672 4.993 4.320 0.001 0.000 0.237 300 K C 0.699 177.347 176.600 0.081 0.000 1.040 300 K CA 0.334 56.658 56.287 0.061 0.000 0.912 300 K CB 0.889 33.422 32.500 0.056 0.000 1.137 300 K HN 0.558 nan 8.250 nan 0.000 0.498 301 S N -0.120 115.638 115.700 0.096 0.000 2.570 301 S HA 0.581 5.052 4.470 0.001 0.000 0.286 301 S C -1.234 173.440 174.600 0.124 0.000 1.099 301 S CA -0.990 57.281 58.200 0.118 0.000 0.913 301 S CB 0.957 64.231 63.200 0.123 0.000 1.085 301 S HN 0.179 nan 8.310 nan 0.000 0.480 302 L N 2.466 123.761 121.223 0.119 0.000 2.334 302 L HA 0.648 4.988 4.340 0.001 0.000 0.275 302 L C -0.546 176.415 176.870 0.153 0.000 1.036 302 L CA -0.675 54.209 54.840 0.073 0.000 0.807 302 L CB 0.949 43.031 42.059 0.039 0.000 1.231 302 L HN 0.913 nan 8.230 nan 0.000 0.438 303 Y N 0.991 121.341 120.300 0.083 0.000 2.512 303 Y HA 0.793 5.344 4.550 0.001 0.000 0.348 303 Y C -0.965 174.937 175.900 0.003 0.000 0.990 303 Y CA -1.608 56.516 58.100 0.041 0.000 1.033 303 Y CB 1.576 40.045 38.460 0.016 0.000 1.259 303 Y HN 0.288 nan 8.280 nan 0.000 0.461 304 V N 2.357 122.301 119.914 0.050 0.000 2.577 304 V HA 0.720 4.840 4.120 0.001 0.000 0.303 304 V C -1.325 174.678 176.094 -0.151 0.000 1.042 304 V CA -0.216 61.902 62.300 -0.304 0.000 0.872 304 V CB 1.617 33.126 31.823 -0.524 0.000 0.998 304 V HN 1.048 nan 8.190 nan 0.000 0.423 305 S N 5.270 120.859 115.700 -0.185 0.000 2.473 305 S HA 0.912 5.383 4.470 0.001 0.000 0.307 305 S C -0.389 174.148 174.600 -0.104 0.000 1.094 305 S CA 0.164 58.322 58.200 -0.069 0.000 1.070 305 S CB 1.333 64.547 63.200 0.024 0.000 1.019 305 S HN 1.849 nan 8.310 nan 0.000 0.480 306 A N 3.652 126.440 122.820 -0.054 0.000 2.374 306 A HA 0.730 5.050 4.320 0.001 0.000 0.305 306 A C -0.530 177.072 177.584 0.030 0.000 1.053 306 A CA -0.668 51.355 52.037 -0.023 0.000 0.726 306 A CB 1.555 20.528 19.000 -0.045 0.000 1.229 306 A HN 0.681 nan 8.150 nan 0.000 0.431 307 T N 2.023 116.635 114.554 0.096 0.000 2.786 307 T HA 0.525 4.876 4.350 0.001 0.000 0.283 307 T C -0.454 174.360 174.700 0.189 0.000 0.992 307 T CA -0.322 61.858 62.100 0.134 0.000 0.954 307 T CB 1.110 70.063 68.868 0.142 0.000 0.934 307 T HN 0.463 nan 8.240 nan 0.000 0.440 308 V N 5.027 125.046 119.914 0.174 0.000 2.483 308 V HA 0.553 4.674 4.120 0.001 0.000 0.295 308 V C -0.187 176.053 176.094 0.243 0.000 1.035 308 V CA -0.799 61.606 62.300 0.176 0.000 0.896 308 V CB 1.464 33.388 31.823 0.167 0.000 0.986 308 V HN 0.801 nan 8.190 nan 0.000 0.447 309 I N 5.143 125.796 120.570 0.138 0.000 2.447 309 I HA 0.375 4.546 4.170 0.001 0.000 0.287 309 I C -0.150 175.937 176.117 -0.049 0.000 1.023 309 I CA -0.527 60.849 61.300 0.127 0.000 1.083 309 I CB 1.737 39.846 38.000 0.182 0.000 1.245 309 I HN 0.393 nan 8.210 nan 0.000 0.434 310 L N 5.123 126.298 121.223 -0.081 0.000 2.499 310 L HA -0.000 4.340 4.340 0.001 0.000 0.281 310 L C 1.607 178.435 176.870 -0.070 0.000 1.234 310 L CA -0.185 54.549 54.840 -0.176 0.000 0.839 310 L CB 0.139 42.166 42.059 -0.052 0.000 1.104 310 L HN 0.654 nan 8.230 nan 0.000 0.500 311 H N 0.897 119.973 119.070 0.009 0.000 2.421 311 H HA -0.121 4.436 4.556 0.001 0.000 0.298 311 H C 2.301 177.652 175.328 0.038 0.000 1.087 311 H CA 1.621 57.681 56.048 0.021 0.000 1.330 311 H CB -0.067 29.701 29.762 0.010 0.000 1.388 311 H HN 0.814 nan 8.280 nan 0.000 0.526 312 S N -0.468 115.327 115.700 0.158 0.000 2.399 312 S HA -0.067 4.403 4.470 0.001 0.000 0.231 312 S C 2.021 176.681 174.600 0.099 0.000 1.022 312 S CA 1.253 59.520 58.200 0.112 0.000 0.983 312 S CB -0.459 62.801 63.200 0.100 0.000 0.803 312 S HN 0.641 nan 8.310 nan 0.000 0.480 313 G N 0.101 108.962 108.800 0.102 0.000 2.159 313 G HA2 -0.269 3.692 3.960 0.001 0.000 0.256 313 G HA3 -0.269 3.692 3.960 0.001 0.000 0.256 313 G C 0.824 175.784 174.900 0.100 0.000 0.977 313 G CA 0.499 45.658 45.100 0.098 0.000 0.652 313 G HN 0.605 nan 8.290 nan 0.000 0.531 314 S N -0.450 115.316 115.700 0.110 0.000 2.489 314 S HA 0.260 4.731 4.470 0.001 0.000 0.228 314 S C 0.567 175.253 174.600 0.144 0.000 0.995 314 S CA 1.096 59.364 58.200 0.113 0.000 0.934 314 S CB 0.227 63.493 63.200 0.109 0.000 0.771 314 S HN 0.705 nan 8.310 nan 0.000 0.522 315 D N -0.676 119.839 120.400 0.192 0.000 2.609 315 D HA 0.487 5.127 4.640 0.001 0.000 0.239 315 D C -1.304 175.181 176.300 0.307 0.000 1.229 315 D CA -0.408 53.744 54.000 0.254 0.000 0.808 315 D CB 1.495 42.526 40.800 0.384 0.000 1.448 315 D HN -0.030 nan 8.370 nan 0.000 0.433 316 M N 2.383 122.116 119.600 0.221 0.000 2.322 316 M HA 0.436 4.917 4.480 0.001 0.000 0.285 316 M C -2.194 174.085 176.300 -0.035 0.000 1.119 316 M CA -0.611 54.793 55.300 0.173 0.000 0.953 316 M CB 1.737 34.398 32.600 0.101 0.000 1.701 316 M HN 0.186 nan 8.290 nan 0.000 0.479 317 V N 4.215 124.086 119.914 -0.072 0.000 2.577 317 V HA 0.449 4.569 4.120 0.001 0.000 0.303 317 V C -0.545 175.503 176.094 -0.076 0.000 1.042 317 V CA -0.666 61.482 62.300 -0.254 0.000 0.872 317 V CB 1.946 33.352 31.823 -0.695 0.000 0.998 317 V HN 0.797 nan 8.190 nan 0.000 0.423 318 Q N 2.573 122.328 119.800 -0.074 0.000 2.222 318 Q HA 0.831 5.172 4.340 0.001 0.000 0.252 318 Q C -0.716 175.254 176.000 -0.051 0.000 0.926 318 Q CA -0.312 55.469 55.803 -0.036 0.000 0.899 318 Q CB 2.108 30.828 28.738 -0.029 0.000 1.250 318 Q HN 0.955 nan 8.270 nan 0.000 0.441 319 A N 2.977 125.777 122.820 -0.033 0.000 2.594 319 A HA 0.613 4.934 4.320 0.001 0.000 0.295 319 A C -1.541 176.025 177.584 -0.029 0.000 1.071 319 A CA -0.601 51.415 52.037 -0.036 0.000 0.685 319 A CB 1.886 20.865 19.000 -0.034 0.000 1.285 319 A HN 0.744 nan 8.150 nan 0.000 0.405 320 E N 0.323 120.508 120.200 -0.025 0.000 2.292 320 E HA 0.592 4.942 4.350 0.001 0.000 0.272 320 E C -1.233 175.364 176.600 -0.005 0.000 0.881 320 E CA -0.813 55.578 56.400 -0.015 0.000 0.754 320 E CB 1.765 31.456 29.700 -0.015 0.000 1.201 320 E HN 0.535 nan 8.360 nan 0.000 0.425 321 R N 2.004 122.509 120.500 0.007 0.000 2.295 321 R HA 0.386 4.726 4.340 0.001 0.000 0.324 321 R C -1.031 175.316 176.300 0.078 0.000 0.968 321 R CA -0.188 55.929 56.100 0.029 0.000 0.837 321 R CB 1.207 31.519 30.300 0.020 0.000 1.133 321 R HN 0.546 nan 8.270 nan 0.000 0.450 322 S N 2.022 117.768 115.700 0.076 0.000 2.751 322 S HA 0.679 5.150 4.470 0.001 0.000 0.310 322 S C 0.387 175.050 174.600 0.105 0.000 1.128 322 S CA -0.237 58.035 58.200 0.120 0.000 0.931 322 S CB 1.484 64.721 63.200 0.062 0.000 1.177 322 S HN 1.131 nan 8.310 nan 0.000 0.530 323 G N 0.263 109.137 108.800 0.123 0.000 2.273 323 G HA2 -0.207 3.753 3.960 0.001 0.000 0.280 323 G HA3 -0.207 3.753 3.960 0.001 0.000 0.280 323 G C -0.207 174.761 174.900 0.113 0.000 1.047 323 G CA 0.347 45.510 45.100 0.105 0.000 0.869 323 G HN 0.880 nan 8.290 nan 0.000 0.502 324 I N 1.646 122.294 120.570 0.130 0.000 2.347 324 I HA 0.250 4.421 4.170 0.001 0.000 0.294 324 I C -1.752 174.462 176.117 0.161 0.000 1.090 324 I CA -2.090 59.295 61.300 0.142 0.000 1.314 324 I CB 0.950 39.032 38.000 0.135 0.000 1.423 324 I HN -0.080 nan 8.210 nan 0.000 0.503 325 P HA 0.178 nan 4.420 nan 0.000 0.271 325 P C -0.408 177.004 177.300 0.187 0.000 1.216 325 P CA -0.112 63.078 63.100 0.150 0.000 0.776 325 P CB 0.601 32.372 31.700 0.117 0.000 0.881 326 I N 3.057 123.714 120.570 0.145 0.000 2.312 326 I HA 0.225 4.396 4.170 0.001 0.000 0.291 326 I C 0.517 176.667 176.117 0.055 0.000 1.031 326 I CA -0.535 60.848 61.300 0.139 0.000 1.293 326 I CB 0.597 38.675 38.000 0.130 0.000 1.403 326 I HN 0.126 nan 8.210 nan 0.000 0.484 327 V N 1.969 121.907 119.914 0.040 0.000 3.046 327 V HA 0.577 4.697 4.120 0.001 0.000 0.316 327 V C 0.619 176.721 176.094 0.013 0.000 1.104 327 V CA -0.365 61.928 62.300 -0.011 0.000 1.006 327 V CB 1.541 33.303 31.823 -0.101 0.000 1.058 327 V HN 0.759 nan 8.190 nan 0.000 0.440 328 T N -2.202 112.357 114.554 0.009 0.000 3.022 328 T HA 0.312 4.662 4.350 0.001 0.000 0.250 328 T C 0.708 175.408 174.700 -0.000 0.000 1.060 328 T CA 0.636 62.811 62.100 0.125 0.000 1.013 328 T CB 0.063 68.989 68.868 0.096 0.000 0.982 328 T HN 1.119 nan 8.240 nan 0.000 0.508 329 S N 1.232 116.828 115.700 -0.172 0.000 2.548 329 S HA 0.522 4.993 4.470 0.001 0.000 0.276 329 S C -2.645 171.599 174.600 -0.593 0.000 1.129 329 S CA -1.359 56.648 58.200 -0.321 0.000 0.931 329 S CB 1.948 65.037 63.200 -0.184 0.000 1.068 329 S HN -0.140 nan 8.310 nan 0.000 0.480 330 P HA 0.069 nan 4.420 nan 0.000 0.229 330 P C -0.925 175.711 177.300 -1.107 0.000 1.150 330 P CA 1.125 63.419 63.100 -1.343 0.000 0.765 330 P CB -0.180 30.753 31.700 -1.279 0.000 0.783 331 Y N -1.544 118.534 120.300 -0.369 0.000 2.553 331 Y HA 0.487 5.037 4.550 0.001 0.000 0.347 331 Y C 0.347 176.090 175.900 -0.262 0.000 1.019 331 Y CA -1.115 56.821 58.100 -0.274 0.000 1.032 331 Y CB 1.469 39.793 38.460 -0.227 0.000 1.284 331 Y HN -0.265 nan 8.280 nan 0.000 0.466 332 Q N 2.123 121.870 119.800 -0.088 0.000 2.377 332 Q HA 0.740 5.081 4.340 0.001 0.000 0.271 332 Q C -1.361 174.371 176.000 -0.448 0.000 1.077 332 Q CA -0.837 54.802 55.803 -0.273 0.000 0.820 332 Q CB 3.104 31.665 28.738 -0.296 0.000 1.347 332 Q HN 0.549 nan 8.270 nan 0.000 0.444 333 I N 2.211 122.439 120.570 -0.570 0.000 2.433 333 I HA 0.382 4.552 4.170 0.001 0.000 0.292 333 I C -0.556 175.058 176.117 -0.838 0.000 1.001 333 I CA -0.719 60.219 61.300 -0.604 0.000 1.119 333 I CB 1.096 38.819 38.000 -0.463 0.000 1.289 333 I HN 0.511 nan 8.210 nan 0.000 0.438 334 H N 5.787 124.631 119.070 -0.377 0.000 2.622 334 H HA 0.345 4.902 4.556 0.001 0.000 0.363 334 H C -0.796 174.335 175.328 -0.329 0.000 1.151 334 H CA -0.579 55.320 56.048 -0.249 0.000 1.184 334 H CB 2.227 32.007 29.762 0.030 0.000 1.643 334 H HN 0.450 nan 8.280 nan 0.000 0.531 335 F N 0.474 120.561 119.950 0.227 0.000 2.668 335 F HA 0.024 4.552 4.527 0.001 0.000 0.301 335 F C 2.154 178.062 175.800 0.179 0.000 1.106 335 F CA -0.184 57.917 58.000 0.169 0.000 1.289 335 F CB 0.083 39.157 39.000 0.124 0.000 1.006 335 F HN 0.523 nan 8.300 nan 0.000 0.535 336 T N -2.526 112.229 114.554 0.335 0.000 2.897 336 T HA -0.213 4.138 4.350 0.001 0.000 0.271 336 T C 1.573 176.450 174.700 0.296 0.000 1.084 336 T CA 1.308 63.579 62.100 0.285 0.000 1.123 336 T CB -0.206 68.804 68.868 0.237 0.000 0.865 336 T HN 0.274 nan 8.240 nan 0.000 0.496 337 K N 0.691 121.214 120.400 0.205 0.000 2.358 337 K HA 0.179 4.500 4.320 0.001 0.000 0.197 337 K C 0.047 176.740 176.600 0.155 0.000 1.025 337 K CA 0.037 56.390 56.287 0.110 0.000 1.104 337 K CB 0.632 33.043 32.500 -0.148 0.000 0.855 337 K HN 0.221 nan 8.250 nan 0.000 0.531 338 T N 3.356 118.039 114.554 0.215 0.000 2.795 338 T HA 0.261 4.612 4.350 0.001 0.000 0.282 338 T C -2.657 172.156 174.700 0.189 0.000 0.980 338 T CA -1.849 60.346 62.100 0.159 0.000 1.012 338 T CB 1.714 70.706 68.868 0.207 0.000 0.936 338 T HN -0.131 nan 8.240 nan 0.000 0.457 339 P HA 0.154 nan 4.420 nan 0.000 0.267 339 P C 0.282 177.766 177.300 0.306 0.000 1.200 339 P CA -0.360 62.886 63.100 0.244 0.000 0.772 339 P CB 0.528 32.374 31.700 0.244 0.000 0.855 340 K N 1.588 122.099 120.400 0.185 0.000 2.446 340 K HA 0.182 4.503 4.320 0.001 0.000 0.203 340 K C -0.380 175.985 176.600 -0.393 0.000 1.027 340 K CA 0.012 56.248 56.287 -0.085 0.000 1.166 340 K CB -0.199 32.172 32.500 -0.214 0.000 0.869 340 K HN 0.518 nan 8.250 nan 0.000 0.504 341 Y N 0.261 120.722 120.300 0.268 0.000 2.477 341 Y HA 0.419 4.970 4.550 0.001 0.000 0.347 341 Y C -0.054 176.078 175.900 0.386 0.000 0.981 341 Y CA -1.783 56.467 58.100 0.250 0.000 1.033 341 Y CB 1.436 40.005 38.460 0.181 0.000 1.245 341 Y HN -0.027 nan 8.280 nan 0.000 0.455 342 F N -0.743 119.322 119.950 0.191 0.000 2.579 342 F HA 0.866 5.394 4.527 0.001 0.000 0.324 342 F C -1.238 174.603 175.800 0.068 0.000 1.058 342 F CA -1.650 56.426 58.000 0.128 0.000 0.944 342 F CB 1.405 40.255 39.000 -0.250 0.000 1.245 342 F HN 0.142 nan 8.300 nan 0.000 0.477 343 K N 3.528 123.888 120.400 -0.067 0.000 2.299 343 K HA 0.355 4.675 4.320 0.001 0.000 0.268 343 K C -2.730 173.580 176.600 -0.484 0.000 1.075 343 K CA -2.032 53.934 56.287 -0.536 0.000 0.936 343 K CB 0.432 32.520 32.500 -0.686 0.000 1.228 343 K HN 0.327 nan 8.250 nan 0.000 0.454 344 P HA -0.002 nan 4.420 nan 0.000 0.263 344 P C 0.618 177.874 177.300 -0.073 0.000 1.195 344 P CA 0.671 63.760 63.100 -0.017 0.000 0.762 344 P CB 1.142 32.863 31.700 0.035 0.000 0.799 345 G N 2.600 111.413 108.800 0.021 0.000 2.284 345 G HA2 -0.187 3.774 3.960 0.001 0.000 0.216 345 G HA3 -0.187 3.774 3.960 0.001 0.000 0.216 345 G C 0.083 174.972 174.900 -0.017 0.000 1.009 345 G CA -0.260 44.855 45.100 0.025 0.000 0.625 345 G HN 0.472 nan 8.290 nan 0.000 0.501 346 M N 1.490 121.035 119.600 -0.090 0.000 2.444 346 M HA 0.455 4.936 4.480 0.001 0.000 0.319 346 M C -2.435 173.801 176.300 -0.107 0.000 1.183 346 M CA -1.909 53.316 55.300 -0.125 0.000 1.032 346 M CB 1.012 33.476 32.600 -0.226 0.000 1.569 346 M HN -0.136 nan 8.290 nan 0.000 0.468 347 P HA -0.075 nan 4.420 nan 0.000 0.266 347 P C -1.335 175.908 177.300 -0.095 0.000 1.186 347 P CA 0.417 63.447 63.100 -0.117 0.000 0.767 347 P CB 0.189 31.801 31.700 -0.146 0.000 0.820 348 F N 3.005 122.874 119.950 -0.136 0.000 2.477 348 F HA 0.324 4.851 4.527 0.001 0.000 0.335 348 F C -0.620 175.167 175.800 -0.020 0.000 1.130 348 F CA -0.798 57.166 58.000 -0.061 0.000 0.948 348 F CB 1.031 39.988 39.000 -0.070 0.000 1.154 348 F HN 0.144 nan 8.300 nan 0.000 0.439 349 D N 6.715 126.828 120.400 -0.478 0.000 2.177 349 D HA 0.390 5.030 4.640 0.001 0.000 0.247 349 D C -0.781 175.150 176.300 -0.615 0.000 1.063 349 D CA -0.014 53.758 54.000 -0.379 0.000 0.867 349 D CB 2.281 42.987 40.800 -0.156 0.000 1.168 349 D HN 0.419 nan 8.370 nan 0.000 0.445 350 L N 2.056 123.088 121.223 -0.318 0.000 2.322 350 L HA 0.333 4.674 4.340 0.001 0.000 0.281 350 L C 0.118 176.961 176.870 -0.046 0.000 1.014 350 L CA -0.435 54.304 54.840 -0.169 0.000 0.815 350 L CB 1.415 43.478 42.059 0.008 0.000 1.247 350 L HN 0.147 nan 8.230 nan 0.000 0.421 351 M N 5.012 124.613 119.600 0.002 0.000 2.495 351 M HA 0.263 4.744 4.480 0.001 0.000 0.346 351 M C -0.397 175.966 176.300 0.104 0.000 1.251 351 M CA -0.487 54.823 55.300 0.016 0.000 1.249 351 M CB 0.825 33.401 32.600 -0.041 0.000 1.229 351 M HN 0.350 nan 8.290 nan 0.000 0.450 352 V N 2.702 122.684 119.914 0.112 0.000 2.530 352 V HA 0.447 4.567 4.120 0.001 0.000 0.282 352 V C -1.092 175.069 176.094 0.112 0.000 1.048 352 V CA -0.251 62.104 62.300 0.092 0.000 0.997 352 V CB 1.043 32.891 31.823 0.042 0.000 0.987 352 V HN 0.526 nan 8.190 nan 0.000 0.477 353 F N 6.533 126.431 119.950 -0.087 0.000 2.411 353 F HA 0.721 5.248 4.527 0.001 0.000 0.352 353 F C -0.371 175.419 175.800 -0.016 0.000 1.123 353 F CA -1.181 56.798 58.000 -0.036 0.000 1.044 353 F CB 1.523 40.523 39.000 0.001 0.000 1.135 353 F HN 0.466 nan 8.300 nan 0.000 0.461 354 V N 5.632 125.411 119.914 -0.226 0.000 2.384 354 V HA 0.462 4.582 4.120 0.001 0.000 0.287 354 V C 0.031 175.856 176.094 -0.448 0.000 1.020 354 V CA -0.518 61.578 62.300 -0.339 0.000 0.850 354 V CB 1.454 33.102 31.823 -0.291 0.000 0.987 354 V HN 0.878 nan 8.190 nan 0.000 0.436 355 T N 1.444 115.772 114.554 -0.377 0.000 2.950 355 T HA 0.542 4.892 4.350 0.001 0.000 0.288 355 T C -0.095 174.588 174.700 -0.027 0.000 1.035 355 T CA -0.879 61.070 62.100 -0.252 0.000 1.028 355 T CB 1.291 70.003 68.868 -0.260 0.000 1.109 355 T HN 0.539 nan 8.240 nan 0.000 0.514 356 N N 1.485 120.195 118.700 0.017 0.000 2.381 356 N HA 0.289 5.030 4.740 0.001 0.000 0.254 356 N C -1.929 173.572 175.510 -0.016 0.000 1.264 356 N CA -1.639 51.422 53.050 0.017 0.000 0.942 356 N CB 0.276 38.799 38.487 0.060 0.000 1.190 356 N HN 0.405 nan 8.380 nan 0.000 0.495 357 P HA -0.123 nan 4.420 nan 0.000 0.222 357 P C 0.099 177.425 177.300 0.043 0.000 1.147 357 P CA 1.030 64.119 63.100 -0.019 0.000 0.790 357 P CB 0.016 31.698 31.700 -0.030 0.000 0.780 358 D N -1.653 118.786 120.400 0.064 0.000 2.371 358 D HA 0.028 4.669 4.640 0.001 0.000 0.221 358 D C 1.511 177.839 176.300 0.047 0.000 0.986 358 D CA 0.941 54.980 54.000 0.066 0.000 0.899 358 D CB -1.057 39.789 40.800 0.076 0.000 0.902 358 D HN 0.223 nan 8.370 nan 0.000 0.530 359 G N -0.077 108.742 108.800 0.031 0.000 2.175 359 G HA2 -0.279 3.682 3.960 0.001 0.000 0.244 359 G HA3 -0.279 3.682 3.960 0.001 0.000 0.244 359 G C 0.370 175.277 174.900 0.012 0.000 0.982 359 G CA 0.347 45.453 45.100 0.010 0.000 0.641 359 G HN 0.868 nan 8.290 nan 0.000 0.527 360 S N 1.446 117.164 115.700 0.029 0.000 2.564 360 S HA 0.603 5.073 4.470 0.001 0.000 0.278 360 S C -1.789 172.827 174.600 0.027 0.000 1.333 360 S CA -0.869 57.359 58.200 0.047 0.000 1.048 360 S CB 1.723 64.956 63.200 0.055 0.000 0.900 360 S HN 0.333 nan 8.310 nan 0.000 0.505 361 P HA 0.145 nan 4.420 nan 0.000 0.262 361 P C -0.693 176.647 177.300 0.067 0.000 1.182 361 P CA 0.121 63.272 63.100 0.084 0.000 0.761 361 P CB 0.163 31.970 31.700 0.178 0.000 0.795 362 A N 4.278 127.115 122.820 0.029 0.000 2.274 362 A HA 0.426 4.747 4.320 0.001 0.000 0.309 362 A C -1.007 176.642 177.584 0.109 0.000 1.226 362 A CA -0.444 51.639 52.037 0.078 0.000 0.853 362 A CB 0.170 19.190 19.000 0.033 0.000 1.146 362 A HN 0.528 nan 8.150 nan 0.000 0.518 363 Y N 2.066 122.362 120.300 -0.007 0.000 2.360 363 Y HA 0.545 5.096 4.550 0.001 0.000 0.337 363 Y C 0.821 176.699 175.900 -0.035 0.000 1.039 363 Y CA -0.880 57.211 58.100 -0.017 0.000 1.109 363 Y CB 1.201 39.665 38.460 0.007 0.000 1.201 363 Y HN 0.903 nan 8.280 nan 0.000 0.458 364 R N 1.732 121.952 120.500 -0.467 0.000 3.854 364 R HA -0.107 4.234 4.340 0.001 0.000 0.352 364 R C -1.834 174.292 176.300 -0.289 0.000 1.156 364 R CA 0.800 56.572 56.100 -0.547 0.000 0.917 364 R CB -2.301 27.570 30.300 -0.714 0.000 1.471 364 R HN 0.345 nan 8.270 nan 0.000 0.521 365 V N 1.851 121.609 119.914 -0.259 0.000 2.406 365 V HA 0.371 4.492 4.120 0.001 0.000 0.272 365 V C -1.917 174.036 176.094 -0.235 0.000 1.043 365 V CA -1.534 60.575 62.300 -0.318 0.000 0.915 365 V CB 1.552 33.033 31.823 -0.570 0.000 0.988 365 V HN 0.001 nan 8.190 nan 0.000 0.466 366 P HA 0.278 nan 4.420 nan 0.000 0.276 366 P C -0.733 176.487 177.300 -0.134 0.000 1.235 366 P CA -0.028 62.993 63.100 -0.132 0.000 0.772 366 P CB 0.910 32.551 31.700 -0.099 0.000 0.871 367 V N 0.375 120.229 119.914 -0.101 0.000 2.769 367 V HA 0.979 5.100 4.120 0.001 0.000 0.312 367 V C -0.454 175.615 176.094 -0.043 0.000 1.061 367 V CA -1.285 60.968 62.300 -0.078 0.000 0.931 367 V CB 1.635 33.413 31.823 -0.074 0.000 1.010 367 V HN 0.649 nan 8.190 nan 0.000 0.433 368 A N 2.524 125.328 122.820 -0.026 0.000 2.527 368 A HA 0.885 5.206 4.320 0.001 0.000 0.293 368 A C -0.750 176.841 177.584 0.011 0.000 1.117 368 A CA -0.786 51.245 52.037 -0.009 0.000 0.723 368 A CB 1.914 20.905 19.000 -0.015 0.000 1.313 368 A HN 1.148 nan 8.150 nan 0.000 0.411 369 V N 1.631 121.553 119.914 0.015 0.000 2.649 369 V HA 0.163 4.283 4.120 0.001 0.000 0.292 369 V C 0.865 176.964 176.094 0.008 0.000 1.055 369 V CA -0.151 62.162 62.300 0.022 0.000 1.023 369 V CB 1.316 33.147 31.823 0.013 0.000 0.992 369 V HN 0.952 nan 8.190 nan 0.000 0.480 370 Q N 2.516 122.322 119.800 0.011 0.000 2.283 370 Q HA 0.381 4.722 4.340 0.001 0.000 0.301 370 Q C 0.602 176.599 176.000 -0.005 0.000 1.063 370 Q CA 1.235 57.039 55.803 0.003 0.000 0.952 370 Q CB 0.211 28.951 28.738 0.004 0.000 1.166 370 Q HN 1.150 nan 8.270 nan 0.000 0.381 371 G N 2.406 111.203 108.800 -0.005 0.000 2.500 371 G HA2 -0.099 3.861 3.960 0.001 0.000 0.209 371 G HA3 -0.099 3.861 3.960 0.001 0.000 0.209 371 G C -1.419 173.477 174.900 -0.007 0.000 1.283 371 G CA -0.350 44.746 45.100 -0.006 0.000 0.960 371 G HN 0.779 nan 8.290 nan 0.000 0.528 372 E N -0.356 119.840 120.200 -0.007 0.000 7.465 372 E HA -0.050 4.301 4.350 0.001 0.000 0.194 372 E C 0.407 177.001 176.600 -0.009 0.000 0.901 372 E CA 0.967 57.362 56.400 -0.008 0.000 1.685 372 E CB -1.305 28.390 29.700 -0.009 0.000 0.895 372 E HN 0.827 nan 8.360 nan 0.000 0.266 373 D N -0.317 120.078 120.400 -0.007 0.000 2.269 373 D HA -0.032 4.609 4.640 0.001 0.000 0.208 373 D C 0.960 177.255 176.300 -0.009 0.000 0.963 373 D CA 1.587 55.582 54.000 -0.008 0.000 0.864 373 D CB 0.351 41.148 40.800 -0.006 0.000 0.936 373 D HN 0.418 nan 8.370 nan 0.000 0.505 374 T N -1.356 113.192 114.554 -0.010 0.000 2.409 374 T HA 0.269 4.619 4.350 0.001 0.000 0.150 374 T C 1.137 175.829 174.700 -0.013 0.000 0.725 374 T CA 1.040 63.133 62.100 -0.012 0.000 0.969 374 T CB -0.195 68.667 68.868 -0.011 0.000 2.580 374 T HN 0.074 nan 8.240 nan 0.000 0.366 375 V N 0.326 120.233 119.914 -0.012 0.000 0.686 375 V HA -0.408 3.712 4.120 0.001 0.000 0.092 375 V C 0.145 176.228 176.094 -0.018 0.000 0.859 375 V CA 2.843 65.135 62.300 -0.013 0.000 3.114 375 V CB -2.111 29.706 31.823 -0.011 0.000 0.237 375 V HN 1.441 nan 8.190 nan 0.000 0.175 376 Q N -0.527 119.261 119.800 -0.021 0.000 3.177 376 Q HA 0.114 4.454 4.340 0.001 0.000 0.038 376 Q C -0.608 175.373 176.000 -0.033 0.000 1.678 376 Q CA 1.095 56.880 55.803 -0.029 0.000 0.268 376 Q CB -1.009 27.710 28.738 -0.031 0.000 0.584 376 Q HN 2.058 nan 8.270 nan 0.000 0.322 377 S N 3.232 118.908 115.700 -0.041 0.000 2.572 377 S HA 0.633 5.104 4.470 0.001 0.000 0.274 377 S C -1.408 173.156 174.600 -0.060 0.000 1.150 377 S CA -0.829 57.345 58.200 -0.043 0.000 0.944 377 S CB 0.845 64.026 63.200 -0.031 0.000 1.071 377 S HN 0.496 nan 8.310 nan 0.000 0.479 378 L N 4.412 125.597 121.223 -0.064 0.000 2.367 378 L HA 0.345 4.685 4.340 0.001 0.000 0.275 378 L C 1.280 178.115 176.870 -0.059 0.000 1.129 378 L CA 0.127 54.914 54.840 -0.088 0.000 0.839 378 L CB 0.498 42.494 42.059 -0.106 0.000 1.133 378 L HN 0.899 nan 8.230 nan 0.000 0.453 379 T N 1.189 115.702 114.554 -0.069 0.000 2.930 379 T HA 0.213 4.563 4.350 0.001 0.000 0.306 379 T C 0.471 175.227 174.700 0.093 0.000 1.045 379 T CA -0.791 61.309 62.100 -0.001 0.000 1.134 379 T CB 0.973 69.832 68.868 -0.014 0.000 0.961 379 T HN 0.426 nan 8.240 nan 0.000 0.545 380 Q N 1.944 121.826 119.800 0.136 0.000 2.247 380 Q HA 0.340 4.680 4.340 0.001 0.000 0.184 380 Q C 2.098 178.260 176.000 0.270 0.000 1.067 380 Q CA 0.061 55.996 55.803 0.221 0.000 1.115 380 Q CB -0.493 28.293 28.738 0.079 0.000 1.147 380 Q HN 0.925 nan 8.270 nan 0.000 0.599 381 G N 0.959 109.748 108.800 -0.019 0.000 2.475 381 G HA2 -0.265 3.695 3.960 0.001 0.000 0.220 381 G HA3 -0.265 3.695 3.960 0.001 0.000 0.220 381 G C 0.556 175.387 174.900 -0.115 0.000 1.125 381 G CA 1.367 46.256 45.100 -0.351 0.000 0.755 381 G HN 0.689 nan 8.290 nan 0.000 0.565 382 D N -0.773 119.613 120.400 -0.023 0.000 2.336 382 D HA 0.254 4.894 4.640 0.001 0.000 0.228 382 D C 1.595 178.005 176.300 0.184 0.000 1.120 382 D CA 0.243 54.259 54.000 0.027 0.000 0.839 382 D CB -0.581 40.182 40.800 -0.062 0.000 0.932 382 D HN 0.456 nan 8.370 nan 0.000 0.509 383 G N -0.188 108.728 108.800 0.193 0.000 2.168 383 G HA2 -0.239 3.722 3.960 0.001 0.000 0.263 383 G HA3 -0.239 3.722 3.960 0.001 0.000 0.263 383 G C 0.163 175.228 174.900 0.274 0.000 0.977 383 G CA 0.551 45.790 45.100 0.230 0.000 0.659 383 G HN 0.922 nan 8.290 nan 0.000 0.533 384 V N -1.015 119.012 119.914 0.188 0.000 2.581 384 V HA 0.963 5.084 4.120 0.001 0.000 0.303 384 V C 0.088 176.205 176.094 0.038 0.000 1.041 384 V CA 0.244 62.615 62.300 0.119 0.000 0.907 384 V CB 1.792 33.631 31.823 0.026 0.000 0.994 384 V HN 1.758 nan 8.190 nan 0.000 0.442 385 A N 5.047 127.880 122.820 0.021 0.000 2.384 385 A HA 0.822 5.143 4.320 0.001 0.000 0.312 385 A C -0.676 176.902 177.584 -0.009 0.000 1.113 385 A CA -0.994 51.040 52.037 -0.005 0.000 0.779 385 A CB 1.753 20.741 19.000 -0.019 0.000 1.307 385 A HN 1.039 nan 8.150 nan 0.000 0.436 386 K N 1.635 122.022 120.400 -0.022 0.000 2.307 386 K HA 0.682 5.002 4.320 0.001 0.000 0.263 386 K C -1.610 174.976 176.600 -0.024 0.000 0.973 386 K CA -0.336 55.932 56.287 -0.030 0.000 0.846 386 K CB 0.631 33.104 32.500 -0.046 0.000 1.100 386 K HN 0.636 nan 8.250 nan 0.000 0.438 387 L N 1.984 123.195 121.223 -0.019 0.000 2.333 387 L HA 0.507 4.848 4.340 0.001 0.000 0.269 387 L C -0.482 176.368 176.870 -0.034 0.000 1.010 387 L CA -0.960 53.871 54.840 -0.014 0.000 0.818 387 L CB 2.282 44.348 42.059 0.011 0.000 1.306 387 L HN 0.570 nan 8.230 nan 0.000 0.430 388 S N 2.302 117.988 115.700 -0.023 0.000 2.561 388 S HA 0.612 5.082 4.470 0.001 0.000 0.303 388 S C -0.852 173.745 174.600 -0.004 0.000 1.110 388 S CA -0.441 57.745 58.200 -0.025 0.000 1.034 388 S CB 1.700 64.886 63.200 -0.023 0.000 1.010 388 S HN 0.296 nan 8.310 nan 0.000 0.482 389 I N 2.937 123.520 120.570 0.021 0.000 2.530 389 I HA 0.411 4.582 4.170 0.001 0.000 0.297 389 I C -0.552 175.559 176.117 -0.010 0.000 1.011 389 I CA -0.873 60.432 61.300 0.008 0.000 1.107 389 I CB 2.023 40.034 38.000 0.018 0.000 1.285 389 I HN 0.564 nan 8.210 nan 0.000 0.436 390 N N 2.712 121.384 118.700 -0.045 0.000 2.479 390 N HA 0.377 5.118 4.740 0.001 0.000 0.285 390 N C -0.616 174.803 175.510 -0.152 0.000 1.075 390 N CA -0.127 52.888 53.050 -0.058 0.000 0.967 390 N CB 1.177 39.653 38.487 -0.019 0.000 1.137 390 N HN 0.536 nan 8.380 nan 0.000 0.472 391 T N -0.666 113.810 114.554 -0.130 0.000 2.823 391 T HA 0.369 4.720 4.350 0.001 0.000 0.279 391 T C -0.269 174.378 174.700 -0.087 0.000 0.998 391 T CA -0.865 61.103 62.100 -0.220 0.000 0.994 391 T CB 0.626 69.428 68.868 -0.110 0.000 0.960 391 T HN 0.315 nan 8.240 nan 0.000 0.448 392 H N 2.735 121.805 119.070 -0.001 0.000 2.679 392 H HA 0.241 4.798 4.556 0.001 0.000 0.369 392 H C -1.948 173.422 175.328 0.071 0.000 1.178 392 H CA -2.164 53.899 56.048 0.025 0.000 1.419 392 H CB 0.251 30.020 29.762 0.012 0.000 1.458 392 H HN 0.472 nan 8.280 nan 0.000 0.605 393 P HA -0.044 nan 4.420 nan 0.000 0.252 393 P C -0.109 177.284 177.300 0.154 0.000 1.265 393 P CA 0.210 63.402 63.100 0.152 0.000 0.775 393 P CB -0.106 31.669 31.700 0.126 0.000 1.128 394 S N -0.907 114.900 115.700 0.177 0.000 2.576 394 S HA 0.126 4.596 4.470 0.001 0.000 0.276 394 S C 1.106 175.809 174.600 0.171 0.000 1.339 394 S CA -0.449 57.842 58.200 0.151 0.000 1.039 394 S CB 1.221 64.505 63.200 0.140 0.000 0.902 394 S HN -0.108 nan 8.310 nan 0.000 0.516 395 Q N 0.936 120.810 119.800 0.124 0.000 2.444 395 Q HA 0.094 4.434 4.340 0.001 0.000 0.206 395 Q C 0.583 176.665 176.000 0.136 0.000 0.948 395 Q CA 0.313 56.180 55.803 0.106 0.000 0.946 395 Q CB 0.027 28.805 28.738 0.067 0.000 1.027 395 Q HN 0.687 nan 8.270 nan 0.000 0.513 396 K N 1.878 122.362 120.400 0.140 0.000 2.484 396 K HA 0.034 4.355 4.320 0.001 0.000 0.280 396 K C -2.396 174.295 176.600 0.152 0.000 1.013 396 K CA -1.289 55.062 56.287 0.107 0.000 1.029 396 K CB 0.167 32.705 32.500 0.063 0.000 0.902 396 K HN -0.044 nan 8.250 nan 0.000 0.481 397 P HA -0.044 nan 4.420 nan 0.000 0.264 397 P C -0.693 176.560 177.300 -0.078 0.000 1.193 397 P CA -0.219 62.926 63.100 0.075 0.000 0.763 397 P CB 0.347 32.059 31.700 0.020 0.000 0.810 398 L N 3.448 124.519 121.223 -0.254 0.000 2.265 398 L HA 0.439 4.780 4.340 0.001 0.000 0.288 398 L C 0.099 176.727 176.870 -0.403 0.000 1.058 398 L CA 0.106 54.620 54.840 -0.544 0.000 0.809 398 L CB 0.832 42.130 42.059 -1.268 0.000 1.179 398 L HN 0.239 nan 8.230 nan 0.000 0.429 399 S N 5.897 121.418 115.700 -0.299 0.000 2.489 399 S HA 0.732 5.202 4.470 0.001 0.000 0.291 399 S C -0.677 173.781 174.600 -0.237 0.000 1.151 399 S CA -0.666 57.396 58.200 -0.231 0.000 1.082 399 S CB 0.778 63.892 63.200 -0.143 0.000 1.019 399 S HN 0.661 nan 8.310 nan 0.000 0.492 400 I N 3.594 124.026 120.570 -0.230 0.000 2.571 400 I HA 0.520 4.690 4.170 0.001 0.000 0.289 400 I C -0.948 175.095 176.117 -0.124 0.000 1.115 400 I CA 0.058 61.248 61.300 -0.184 0.000 1.045 400 I CB 2.207 40.087 38.000 -0.199 0.000 1.238 400 I HN 0.566 nan 8.210 nan 0.000 0.424 401 T N 6.522 121.056 114.554 -0.033 0.000 2.794 401 T HA 0.614 4.964 4.350 0.001 0.000 0.280 401 T C -0.547 174.215 174.700 0.104 0.000 0.987 401 T CA -0.446 61.687 62.100 0.055 0.000 0.993 401 T CB 1.559 70.445 68.868 0.030 0.000 0.939 401 T HN 0.357 nan 8.240 nan 0.000 0.449 402 V N 4.331 124.379 119.914 0.224 0.000 2.581 402 V HA 0.569 4.690 4.120 0.001 0.000 0.303 402 V C 0.055 176.191 176.094 0.069 0.000 1.041 402 V CA -0.947 61.454 62.300 0.169 0.000 0.907 402 V CB 1.862 33.852 31.823 0.279 0.000 0.994 402 V HN 0.741 nan 8.190 nan 0.000 0.442 403 R N 1.548 122.059 120.500 0.019 0.000 2.740 403 R HA 0.557 4.898 4.340 0.001 0.000 0.282 403 R C -0.495 175.776 176.300 -0.049 0.000 0.969 403 R CA -0.753 55.337 56.100 -0.017 0.000 0.918 403 R CB 1.946 32.239 30.300 -0.011 0.000 1.175 403 R HN 0.640 nan 8.270 nan 0.000 0.464 404 T N 2.659 117.169 114.554 -0.072 0.000 2.916 404 T HA 0.075 4.425 4.350 0.001 0.000 0.303 404 T C 0.507 175.169 174.700 -0.062 0.000 1.025 404 T CA 0.231 62.272 62.100 -0.099 0.000 1.142 404 T CB 0.338 69.151 68.868 -0.092 0.000 0.947 404 T HN 0.248 nan 8.240 nan 0.000 0.544 405 K N 2.465 122.821 120.400 -0.075 0.000 2.934 405 K HA 0.164 4.485 4.320 0.001 0.000 0.210 405 K C -0.171 176.401 176.600 -0.047 0.000 1.122 405 K CA -0.617 55.641 56.287 -0.049 0.000 1.033 405 K CB 0.842 33.314 32.500 -0.046 0.000 0.779 405 K HN 0.268 nan 8.250 nan 0.000 0.459 406 K N 2.798 123.176 120.400 -0.036 0.000 2.402 406 K HA -0.028 4.293 4.320 0.001 0.000 0.285 406 K C 0.306 176.906 176.600 0.000 0.000 1.054 406 K CA 0.227 56.509 56.287 -0.008 0.000 1.001 406 K CB 0.376 32.929 32.500 0.089 0.000 0.946 406 K HN 0.193 nan 8.250 nan 0.000 0.473 407 Q N 3.407 123.200 119.800 -0.012 0.000 2.631 407 Q HA 0.040 4.381 4.340 0.001 0.000 0.210 407 Q C -0.092 175.905 176.000 -0.004 0.000 1.094 407 Q CA 0.326 56.122 55.803 -0.011 0.000 1.055 407 Q CB 0.243 28.972 28.738 -0.016 0.000 1.261 407 Q HN 0.713 nan 8.270 nan 0.000 0.615 408 E N -1.742 118.454 120.200 -0.007 0.000 3.146 408 E HA -0.312 4.038 4.350 0.001 0.000 0.277 408 E C -0.273 176.319 176.600 -0.013 0.000 1.003 408 E CA 1.400 57.796 56.400 -0.007 0.000 0.861 408 E CB -1.374 28.323 29.700 -0.004 0.000 1.436 408 E HN 0.612 nan 8.360 nan 0.000 0.455 409 L N 1.108 122.321 121.223 -0.016 0.000 2.433 409 L HA 0.246 4.586 4.340 0.001 0.000 0.200 409 L C 0.434 177.279 176.870 -0.041 0.000 1.059 409 L CA 2.109 56.928 54.840 -0.036 0.000 0.835 409 L CB 0.488 42.532 42.059 -0.024 0.000 1.076 409 L HN 0.838 nan 8.230 nan 0.000 0.481 410 S N -1.157 114.529 115.700 -0.023 0.000 2.978 410 S HA -0.134 4.336 4.470 0.001 0.000 0.855 410 S C 0.550 175.141 174.600 -0.015 0.000 0.951 410 S CA 0.426 58.616 58.200 -0.016 0.000 1.377 410 S CB -1.158 62.036 63.200 -0.010 0.000 0.983 410 S HN 0.297 nan 8.310 nan 0.000 0.235 411 E N 2.142 122.337 120.200 -0.008 0.000 2.268 411 E HA 0.168 4.519 4.350 0.001 0.000 0.195 411 E C 2.235 178.835 176.600 0.000 0.000 0.995 411 E CA 1.956 58.352 56.400 -0.006 0.000 0.836 411 E CB -0.528 29.169 29.700 -0.005 0.000 0.763 411 E HN 0.939 nan 8.360 nan 0.000 0.491 412 A N 0.453 123.279 122.820 0.010 0.000 1.968 412 A HA -0.100 4.220 4.320 0.001 0.000 0.217 412 A C 1.793 179.397 177.584 0.034 0.000 1.169 412 A CA 0.981 53.039 52.037 0.035 0.000 0.638 412 A CB -0.209 18.826 19.000 0.057 0.000 0.812 412 A HN 0.150 nan 8.150 nan 0.000 0.446 413 E N 0.262 120.455 120.200 -0.010 0.000 2.482 413 E HA -0.039 4.312 4.350 0.001 0.000 0.196 413 E C 0.002 176.548 176.600 -0.091 0.000 1.047 413 E CA 0.153 56.493 56.400 -0.101 0.000 0.869 413 E CB 0.062 29.640 29.700 -0.203 0.000 0.836 413 E HN 0.616 nan 8.360 nan 0.000 0.520 414 Q N 0.192 119.971 119.800 -0.036 0.000 2.299 414 Q HA 0.385 4.726 4.340 0.001 0.000 0.246 414 Q C -0.206 175.784 176.000 -0.017 0.000 0.935 414 Q CA -0.202 55.596 55.803 -0.010 0.000 0.887 414 Q CB 1.378 30.111 28.738 -0.008 0.000 1.223 414 Q HN 0.009 nan 8.270 nan 0.000 0.439 415 A N 1.504 124.320 122.820 -0.006 0.000 2.340 415 A HA 0.510 4.831 4.320 0.001 0.000 0.268 415 A C 0.104 177.655 177.584 -0.056 0.000 1.100 415 A CA -0.042 51.968 52.037 -0.045 0.000 0.803 415 A CB 0.825 19.790 19.000 -0.058 0.000 1.043 415 A HN 0.623 nan 8.150 nan 0.000 0.488 416 T N 0.264 114.782 114.554 -0.060 0.000 2.900 416 T HA 0.693 5.044 4.350 0.001 0.000 0.303 416 T C -1.013 173.664 174.700 -0.038 0.000 1.142 416 T CA -0.640 61.439 62.100 -0.034 0.000 1.007 416 T CB 1.176 70.040 68.868 -0.006 0.000 1.156 416 T HN 0.993 nan 8.240 nan 0.000 0.490 417 R N 1.393 121.908 120.500 0.025 0.000 2.604 417 R HA 0.633 4.973 4.340 0.001 0.000 0.261 417 R C -1.622 174.879 176.300 0.335 0.000 1.080 417 R CA -0.339 55.821 56.100 0.099 0.000 0.917 417 R CB 1.844 32.081 30.300 -0.105 0.000 1.252 417 R HN 0.729 nan 8.270 nan 0.000 0.456 418 T N 4.484 119.212 114.554 0.291 0.000 2.863 418 T HA 0.700 5.051 4.350 0.001 0.000 0.285 418 T C -0.434 174.336 174.700 0.117 0.000 1.009 418 T CA -0.701 61.504 62.100 0.174 0.000 0.989 418 T CB 1.085 69.989 68.868 0.059 0.000 1.004 418 T HN 0.629 nan 8.240 nan 0.000 0.455 419 M N 1.409 120.908 119.600 -0.168 0.000 2.691 419 M HA 0.711 5.192 4.480 0.001 0.000 0.293 419 M C -1.400 174.764 176.300 -0.226 0.000 1.259 419 M CA -1.034 54.129 55.300 -0.228 0.000 0.827 419 M CB 2.385 34.663 32.600 -0.535 0.000 1.753 419 M HN 0.435 nan 8.290 nan 0.000 0.465 420 Q N 0.971 120.662 119.800 -0.182 0.000 2.337 420 Q HA 0.804 5.145 4.340 0.001 0.000 0.270 420 Q C -1.936 173.935 176.000 -0.214 0.000 1.043 420 Q CA -0.707 54.979 55.803 -0.195 0.000 0.794 420 Q CB 2.592 31.254 28.738 -0.125 0.000 1.281 420 Q HN 0.952 nan 8.270 nan 0.000 0.446 421 A N 4.092 126.742 122.820 -0.284 0.000 2.340 421 A HA 0.736 5.057 4.320 0.001 0.000 0.331 421 A C -1.178 176.423 177.584 0.028 0.000 1.140 421 A CA -0.632 51.280 52.037 -0.209 0.000 0.801 421 A CB 0.857 19.608 19.000 -0.415 0.000 1.234 421 A HN 0.760 nan 8.150 nan 0.000 0.469 422 L N 2.608 123.847 121.223 0.026 0.000 2.331 422 L HA 0.470 4.810 4.340 0.001 0.000 0.275 422 L C -2.130 174.787 176.870 0.079 0.000 1.022 422 L CA -2.301 52.618 54.840 0.133 0.000 0.812 422 L CB 2.205 44.281 42.059 0.029 0.000 1.257 422 L HN 0.491 nan 8.230 nan 0.000 0.435 423 P HA -0.079 nan 4.420 nan 0.000 0.271 423 P C -0.993 176.232 177.300 -0.125 0.000 1.220 423 P CA -0.022 62.671 63.100 -0.678 0.000 0.768 423 P CB 0.273 31.694 31.700 -0.465 0.000 0.848 424 Y N 3.495 123.681 120.300 -0.190 0.000 2.650 424 Y HA 0.073 4.624 4.550 0.001 0.000 0.331 424 Y C 0.678 176.613 175.900 0.058 0.000 1.165 424 Y CA 0.534 58.629 58.100 -0.009 0.000 1.473 424 Y CB 0.368 38.875 38.460 0.079 0.000 1.224 424 Y HN 0.381 nan 8.280 nan 0.000 0.533 425 S N 5.057 120.592 115.700 -0.275 0.000 2.489 425 S HA 0.581 5.051 4.470 0.001 0.000 0.291 425 S C -0.116 174.321 174.600 -0.272 0.000 1.151 425 S CA -0.283 57.821 58.200 -0.160 0.000 1.082 425 S CB 0.989 64.107 63.200 -0.136 0.000 1.019 425 S HN 0.828 nan 8.310 nan 0.000 0.492 426 T N 0.684 115.187 114.554 -0.086 0.000 2.862 426 T HA 0.440 4.790 4.350 0.001 0.000 0.276 426 T C 1.322 175.988 174.700 -0.057 0.000 0.974 426 T CA -0.710 61.349 62.100 -0.069 0.000 0.966 426 T CB 0.739 69.519 68.868 -0.147 0.000 1.072 426 T HN 0.413 nan 8.240 nan 0.000 0.538 427 V N 0.903 120.799 119.914 -0.030 0.000 2.307 427 V HA 0.112 4.233 4.120 0.001 0.000 0.245 427 V C 2.315 178.397 176.094 -0.021 0.000 1.045 427 V CA 2.282 64.576 62.300 -0.011 0.000 1.024 427 V CB -0.868 30.938 31.823 -0.028 0.000 0.651 427 V HN 1.133 nan 8.190 nan 0.000 0.449 428 G N -0.977 107.806 108.800 -0.030 0.000 3.690 428 G HA2 0.149 4.110 3.960 0.001 0.000 0.283 428 G HA3 0.149 4.110 3.960 0.001 0.000 0.283 428 G C 0.143 175.035 174.900 -0.014 0.000 1.057 428 G CA -0.198 44.890 45.100 -0.021 0.000 0.821 428 G HN 0.515 nan 8.290 nan 0.000 0.526 429 N N 0.491 119.180 118.700 -0.018 0.000 2.699 429 N HA -0.213 4.527 4.740 0.001 0.000 0.256 429 N C 1.609 177.111 175.510 -0.014 0.000 0.993 429 N CA 0.927 53.971 53.050 -0.011 0.000 0.759 429 N CB -1.004 37.486 38.487 0.006 0.000 0.906 429 N HN 0.472 nan 8.380 nan 0.000 0.541 430 S N -1.222 114.454 115.700 -0.041 0.000 2.501 430 S HA 0.035 4.506 4.470 0.001 0.000 0.220 430 S C 0.807 175.376 174.600 -0.053 0.000 0.997 430 S CA 0.143 58.324 58.200 -0.032 0.000 0.919 430 S CB 0.287 63.467 63.200 -0.035 0.000 0.778 430 S HN 0.436 nan 8.310 nan 0.000 0.523 431 N N 2.012 120.629 118.700 -0.139 0.000 2.741 431 N HA -0.110 4.630 4.740 0.001 0.000 0.250 431 N C -1.586 173.747 175.510 -0.295 0.000 1.115 431 N CA 0.782 53.708 53.050 -0.207 0.000 0.724 431 N CB -1.931 36.589 38.487 0.056 0.000 1.090 431 N HN 0.545 nan 8.380 nan 0.000 0.558 432 N N 0.871 119.371 118.700 -0.332 0.000 2.426 432 N HA 0.332 5.072 4.740 0.001 0.000 0.257 432 N C -0.362 174.982 175.510 -0.276 0.000 1.002 432 N CA 0.088 53.054 53.050 -0.140 0.000 0.942 432 N CB 0.445 38.966 38.487 0.056 0.000 1.112 432 N HN 0.166 nan 8.380 nan 0.000 0.499 433 Y N 0.393 120.797 120.300 0.173 0.000 2.536 433 Y HA 0.538 5.089 4.550 0.001 0.000 0.347 433 Y C -0.155 175.846 175.900 0.168 0.000 1.000 433 Y CA -1.214 56.916 58.100 0.050 0.000 1.051 433 Y CB 1.594 40.040 38.460 -0.022 0.000 1.259 433 Y HN 0.275 nan 8.280 nan 0.000 0.468 434 L N 1.998 123.355 121.223 0.223 0.000 2.334 434 L HA 0.585 4.925 4.340 0.001 0.000 0.276 434 L C -1.470 175.464 176.870 0.108 0.000 1.014 434 L CA -0.516 54.469 54.840 0.242 0.000 0.815 434 L CB 1.304 43.526 42.059 0.271 0.000 1.268 434 L HN 0.782 nan 8.230 nan 0.000 0.428 435 H N 3.943 123.003 119.070 -0.016 0.000 2.924 435 H HA 0.608 5.165 4.556 0.001 0.000 0.333 435 H C -1.681 173.563 175.328 -0.141 0.000 0.979 435 H CA -0.449 55.554 56.048 -0.076 0.000 1.326 435 H CB 1.088 30.824 29.762 -0.043 0.000 1.600 435 H HN 0.659 nan 8.280 nan 0.000 0.520 436 L N 3.614 124.430 121.223 -0.678 0.000 2.343 436 L HA 0.609 4.950 4.340 0.001 0.000 0.275 436 L C -0.055 176.422 176.870 -0.655 0.000 1.056 436 L CA -0.577 53.883 54.840 -0.632 0.000 0.804 436 L CB 1.759 43.486 42.059 -0.553 0.000 1.203 436 L HN 0.553 nan 8.230 nan 0.000 0.440 437 S N 0.736 116.189 115.700 -0.411 0.000 2.533 437 S HA 0.740 5.211 4.470 0.001 0.000 0.271 437 S C -1.193 173.301 174.600 -0.177 0.000 1.143 437 S CA -0.584 57.462 58.200 -0.256 0.000 0.891 437 S CB 1.969 65.093 63.200 -0.127 0.000 1.105 437 S HN 0.453 nan 8.310 nan 0.000 0.468 438 V N 1.668 121.499 119.914 -0.138 0.000 3.007 438 V HA 0.663 4.784 4.120 0.001 0.000 0.311 438 V C -0.700 175.345 176.094 -0.082 0.000 1.120 438 V CA -1.091 61.145 62.300 -0.106 0.000 0.980 438 V CB 1.720 33.472 31.823 -0.117 0.000 1.033 438 V HN 0.839 nan 8.190 nan 0.000 0.429 439 L N 4.480 125.665 121.223 -0.065 0.000 2.500 439 L HA 0.320 4.661 4.340 0.001 0.000 0.272 439 L C 0.844 177.673 176.870 -0.068 0.000 1.149 439 L CA -0.185 54.622 54.840 -0.055 0.000 0.897 439 L CB 0.461 42.494 42.059 -0.043 0.000 1.178 439 L HN 0.917 nan 8.230 nan 0.000 0.473 440 R N 4.366 124.824 120.500 -0.070 0.000 2.248 440 R HA 0.267 4.608 4.340 0.001 0.000 0.337 440 R C -0.877 175.382 176.300 -0.068 0.000 1.085 440 R CA -0.229 55.821 56.100 -0.084 0.000 0.934 440 R CB 0.190 30.437 30.300 -0.088 0.000 1.034 440 R HN 0.617 nan 8.270 nan 0.000 0.465 441 T N -0.163 114.345 114.554 -0.076 0.000 2.838 441 T HA 0.325 4.675 4.350 0.001 0.000 0.292 441 T C -0.483 174.171 174.700 -0.077 0.000 1.113 441 T CA -1.083 60.980 62.100 -0.061 0.000 1.008 441 T CB 1.561 70.398 68.868 -0.051 0.000 1.259 441 T HN 0.459 nan 8.240 nan 0.000 0.520 442 E N 1.259 121.419 120.200 -0.066 0.000 2.238 442 E HA 0.151 4.501 4.350 0.001 0.000 0.264 442 E C -0.820 175.735 176.600 -0.075 0.000 1.136 442 E CA -0.075 56.278 56.400 -0.078 0.000 0.929 442 E CB 0.536 30.192 29.700 -0.073 0.000 1.010 442 E HN 0.412 nan 8.360 nan 0.000 0.440 443 L N 4.243 125.414 121.223 -0.085 0.000 2.272 443 L HA 0.351 4.691 4.340 0.001 0.000 0.289 443 L C -0.126 176.704 176.870 -0.066 0.000 1.032 443 L CA -0.425 54.372 54.840 -0.072 0.000 0.810 443 L CB 0.783 42.799 42.059 -0.070 0.000 1.205 443 L HN 0.358 nan 8.230 nan 0.000 0.422 444 R N 4.538 125.001 120.500 -0.061 0.000 2.807 444 R HA 0.499 4.840 4.340 0.001 0.000 0.276 444 R C -2.495 173.769 176.300 -0.060 0.000 0.979 444 R CA -1.850 54.216 56.100 -0.056 0.000 0.928 444 R CB 1.526 31.796 30.300 -0.050 0.000 1.191 444 R HN 0.387 nan 8.270 nan 0.000 0.471 445 P HA -0.104 nan 4.420 nan 0.000 0.263 445 P C 0.463 177.736 177.300 -0.046 0.000 1.162 445 P CA 1.543 64.617 63.100 -0.042 0.000 0.758 445 P CB 0.434 32.129 31.700 -0.008 0.000 0.773 446 G N 1.353 110.119 108.800 -0.057 0.000 2.175 446 G HA2 -0.201 3.759 3.960 0.001 0.000 0.244 446 G HA3 -0.201 3.759 3.960 0.001 0.000 0.244 446 G C -0.075 174.791 174.900 -0.056 0.000 0.982 446 G CA -0.276 44.797 45.100 -0.045 0.000 0.641 446 G HN 0.559 nan 8.290 nan 0.000 0.527 447 E N 0.283 120.436 120.200 -0.079 0.000 2.221 447 E HA 0.568 4.919 4.350 0.001 0.000 0.268 447 E C -0.559 175.982 176.600 -0.098 0.000 0.933 447 E CA -0.562 55.792 56.400 -0.075 0.000 0.809 447 E CB 1.328 30.987 29.700 -0.068 0.000 1.190 447 E HN 0.084 nan 8.360 nan 0.000 0.406 448 T N 2.070 116.578 114.554 -0.076 0.000 2.743 448 T HA 0.260 4.611 4.350 0.001 0.000 0.293 448 T C -0.449 174.209 174.700 -0.070 0.000 0.945 448 T CA -0.524 61.529 62.100 -0.078 0.000 1.030 448 T CB 0.253 69.090 68.868 -0.052 0.000 0.912 448 T HN 0.155 nan 8.240 nan 0.000 0.483 449 L N 4.541 125.716 121.223 -0.079 0.000 2.275 449 L HA 0.441 4.782 4.340 0.001 0.000 0.288 449 L C -0.305 176.540 176.870 -0.041 0.000 1.046 449 L CA -0.398 54.411 54.840 -0.051 0.000 0.805 449 L CB 0.612 42.658 42.059 -0.022 0.000 1.193 449 L HN 0.412 nan 8.230 nan 0.000 0.426 450 N N 4.597 123.277 118.700 -0.033 0.000 2.420 450 N HA 0.218 4.958 4.740 0.001 0.000 0.249 450 N C -1.043 174.452 175.510 -0.026 0.000 1.033 450 N CA -0.224 52.814 53.050 -0.020 0.000 0.944 450 N CB 1.504 39.982 38.487 -0.014 0.000 1.113 450 N HN 0.386 nan 8.380 nan 0.000 0.502 451 V N 2.945 122.850 119.914 -0.014 0.000 2.368 451 V HA 0.164 4.285 4.120 0.001 0.000 0.266 451 V C 0.230 176.322 176.094 -0.004 0.000 1.045 451 V CA -0.926 61.334 62.300 -0.067 0.000 0.899 451 V CB 0.187 31.935 31.823 -0.125 0.000 1.006 451 V HN 0.435 nan 8.190 nan 0.000 0.470 452 N N 4.531 123.188 118.700 -0.073 0.000 2.475 452 N HA 0.350 5.091 4.740 0.001 0.000 0.267 452 N C -0.819 174.606 175.510 -0.141 0.000 1.169 452 N CA 0.197 53.237 53.050 -0.018 0.000 0.947 452 N CB 0.253 38.723 38.487 -0.029 0.000 1.061 452 N HN 0.545 nan 8.380 nan 0.000 0.466 453 F N 2.128 121.989 119.950 -0.148 0.000 2.332 453 F HA 0.304 4.832 4.527 0.001 0.000 0.368 453 F C 0.036 175.744 175.800 -0.154 0.000 1.110 453 F CA -1.099 56.739 58.000 -0.270 0.000 1.087 453 F CB 0.794 39.467 39.000 -0.546 0.000 1.235 453 F HN 0.228 nan 8.300 nan 0.000 0.470 454 L N 5.660 126.914 121.223 0.050 0.000 2.265 454 L HA 0.549 4.890 4.340 0.001 0.000 0.289 454 L C -1.162 175.792 176.870 0.140 0.000 1.033 454 L CA -0.690 54.218 54.840 0.113 0.000 0.814 454 L CB 0.858 43.004 42.059 0.145 0.000 1.203 454 L HN 0.499 nan 8.230 nan 0.000 0.423 455 L N 5.373 126.686 121.223 0.149 0.000 2.305 455 L HA 0.559 4.899 4.340 0.001 0.000 0.281 455 L C -0.435 176.518 176.870 0.139 0.000 1.085 455 L CA -0.020 54.912 54.840 0.154 0.000 0.813 455 L CB 0.846 42.967 42.059 0.103 0.000 1.157 455 L HN 0.765 nan 8.230 nan 0.000 0.436 456 R N 6.645 127.259 120.500 0.191 0.000 2.337 456 R HA 0.815 5.156 4.340 0.001 0.000 0.319 456 R C -1.274 175.140 176.300 0.190 0.000 0.954 456 R CA -0.407 55.809 56.100 0.194 0.000 0.840 456 R CB 0.708 31.169 30.300 0.268 0.000 1.164 456 R HN 0.806 nan 8.270 nan 0.000 0.472 457 M N 0.814 120.487 119.600 0.122 0.000 2.790 457 M HA 0.389 4.869 4.480 0.001 0.000 0.272 457 M C -1.584 174.757 176.300 0.068 0.000 1.168 457 M CA -1.148 54.215 55.300 0.104 0.000 0.829 457 M CB 1.561 34.228 32.600 0.111 0.000 1.675 457 M HN 0.444 nan 8.290 nan 0.000 0.505 458 D N 1.686 122.124 120.400 0.064 0.000 2.414 458 D HA 0.119 4.759 4.640 0.001 0.000 0.242 458 D C 0.866 177.161 176.300 -0.009 0.000 1.129 458 D CA -0.196 53.820 54.000 0.027 0.000 0.885 458 D CB 0.871 41.683 40.800 0.019 0.000 1.198 458 D HN 0.829 nan 8.370 nan 0.000 0.437 459 R N 2.048 122.531 120.500 -0.029 0.000 2.139 459 R HA -0.180 4.161 4.340 0.001 0.000 0.243 459 R C 1.827 178.070 176.300 -0.095 0.000 1.145 459 R CA 1.414 57.486 56.100 -0.046 0.000 0.976 459 R CB -0.990 29.287 30.300 -0.039 0.000 0.866 459 R HN 0.464 nan 8.270 nan 0.000 0.449 460 A N 1.466 124.177 122.820 -0.182 0.000 1.972 460 A HA -0.148 4.172 4.320 0.001 0.000 0.219 460 A C 1.169 178.499 177.584 -0.422 0.000 1.169 460 A CA 1.308 53.127 52.037 -0.363 0.000 0.635 460 A CB -0.363 18.299 19.000 -0.562 0.000 0.810 460 A HN 0.454 nan 8.150 nan 0.000 0.446 461 H N -1.697 117.365 119.070 -0.014 0.000 3.233 461 H HA 0.114 4.671 4.556 0.001 0.000 0.263 461 H C 1.392 176.696 175.328 -0.040 0.000 1.168 461 H CA 0.795 56.830 56.048 -0.022 0.000 1.159 461 H CB 0.228 29.984 29.762 -0.010 0.000 1.593 461 H HN 0.804 nan 8.280 nan 0.000 0.580 462 E N 0.876 121.094 120.200 0.031 0.000 2.285 462 E HA 0.041 4.391 4.350 0.001 0.000 0.194 462 E C 1.948 178.511 176.600 -0.063 0.000 0.997 462 E CA 0.973 57.357 56.400 -0.026 0.000 0.845 462 E CB -0.083 29.599 29.700 -0.030 0.000 0.782 462 E HN 0.160 nan 8.360 nan 0.000 0.491 463 A N 1.004 123.800 122.820 -0.040 0.000 2.167 463 A HA -0.005 4.315 4.320 0.001 0.000 0.214 463 A C 1.856 179.402 177.584 -0.063 0.000 1.151 463 A CA 0.781 52.788 52.037 -0.051 0.000 0.735 463 A CB -0.312 18.669 19.000 -0.031 0.000 0.802 463 A HN 0.149 nan 8.150 nan 0.000 0.467 464 K N -0.224 120.144 120.400 -0.054 0.000 2.211 464 K HA 0.027 4.347 4.320 0.001 0.000 0.203 464 K C -0.091 176.418 176.600 -0.152 0.000 1.050 464 K CA 0.395 56.639 56.287 -0.071 0.000 0.945 464 K CB -0.057 32.421 32.500 -0.036 0.000 0.732 464 K HN 0.349 nan 8.250 nan 0.000 0.451 465 I N 2.189 122.632 120.570 -0.212 0.000 2.421 465 I HA 0.020 4.190 4.170 0.001 0.000 0.291 465 I C 0.861 176.757 176.117 -0.368 0.000 1.089 465 I CA 0.505 61.583 61.300 -0.370 0.000 1.354 465 I CB 0.791 38.487 38.000 -0.506 0.000 1.413 465 I HN 0.053 nan 8.210 nan 0.000 0.513 466 R N 5.604 125.865 120.500 -0.399 0.000 2.404 466 R HA 0.183 4.524 4.340 0.001 0.000 0.237 466 R C -0.603 175.602 176.300 -0.159 0.000 0.907 466 R CA 0.127 56.097 56.100 -0.216 0.000 1.063 466 R CB 0.236 30.507 30.300 -0.048 0.000 1.134 466 R HN 0.694 nan 8.270 nan 0.000 0.529 467 Y N -2.835 117.275 120.300 -0.316 0.000 2.641 467 Y HA 0.561 5.112 4.550 0.001 0.000 0.333 467 Y C -1.504 174.124 175.900 -0.454 0.000 1.174 467 Y CA -2.252 55.662 58.100 -0.309 0.000 1.057 467 Y CB 0.333 38.722 38.460 -0.118 0.000 1.322 467 Y HN -0.182 nan 8.280 nan 0.000 0.457 468 Y N 0.260 120.642 120.300 0.136 0.000 2.409 468 Y HA 0.647 5.198 4.550 0.001 0.000 0.339 468 Y C 0.057 176.075 175.900 0.196 0.000 1.033 468 Y CA -1.196 56.989 58.100 0.141 0.000 1.094 468 Y CB 2.338 40.858 38.460 0.100 0.000 1.210 468 Y HN 0.672 nan 8.280 nan 0.000 0.456 469 T N 3.719 118.413 114.554 0.233 0.000 2.771 469 T HA 0.314 4.665 4.350 0.001 0.000 0.291 469 T C -0.935 173.982 174.700 0.362 0.000 0.954 469 T CA -0.456 61.737 62.100 0.155 0.000 1.045 469 T CB -0.351 68.482 68.868 -0.059 0.000 0.917 469 T HN 0.501 nan 8.240 nan 0.000 0.484 470 Y N 1.929 122.417 120.300 0.313 0.000 2.509 470 Y HA 0.836 5.387 4.550 0.001 0.000 0.341 470 Y C -1.474 174.602 175.900 0.293 0.000 1.038 470 Y CA -1.921 56.386 58.100 0.345 0.000 1.089 470 Y CB 0.941 39.643 38.460 0.403 0.000 1.241 470 Y HN 0.383 nan 8.280 nan 0.000 0.468 471 L N 4.595 126.069 121.223 0.418 0.000 2.470 471 L HA 0.413 4.753 4.340 0.001 0.000 0.268 471 L C -1.285 175.779 176.870 0.324 0.000 0.964 471 L CA -0.679 54.338 54.840 0.295 0.000 0.839 471 L CB 2.054 44.298 42.059 0.308 0.000 1.276 471 L HN 0.569 nan 8.230 nan 0.000 0.403 472 I N 3.374 124.103 120.570 0.265 0.000 2.304 472 I HA 0.366 4.537 4.170 0.001 0.000 0.291 472 I C -0.074 176.123 176.117 0.133 0.000 1.018 472 I CA -0.340 61.093 61.300 0.221 0.000 1.260 472 I CB 1.351 39.399 38.000 0.079 0.000 1.390 472 I HN 0.676 nan 8.210 nan 0.000 0.475 473 M N 8.137 127.846 119.600 0.181 0.000 2.129 473 M HA 0.387 4.867 4.480 0.001 0.000 0.348 473 M C -0.738 175.649 176.300 0.144 0.000 1.116 473 M CA 0.328 55.703 55.300 0.126 0.000 1.022 473 M CB 0.724 33.397 32.600 0.122 0.000 1.599 473 M HN 0.617 nan 8.290 nan 0.000 0.449 474 N N 3.755 122.499 118.700 0.072 0.000 2.324 474 N HA 0.282 5.023 4.740 0.001 0.000 0.285 474 N C -1.151 174.406 175.510 0.079 0.000 1.076 474 N CA -0.229 52.873 53.050 0.088 0.000 0.864 474 N CB 1.529 39.996 38.487 -0.033 0.000 1.632 474 N HN 0.819 nan 8.380 nan 0.000 0.478 475 K N 1.993 122.474 120.400 0.136 0.000 3.012 475 K HA -0.243 4.078 4.320 0.001 0.000 0.259 475 K C 0.677 177.343 176.600 0.111 0.000 0.989 475 K CA 1.068 57.460 56.287 0.174 0.000 0.728 475 K CB -1.595 31.038 32.500 0.222 0.000 1.260 475 K HN 1.023 nan 8.250 nan 0.000 0.480 476 G N -0.243 108.595 108.800 0.064 0.000 2.176 476 G HA2 -0.344 3.617 3.960 0.001 0.000 0.253 476 G HA3 -0.344 3.617 3.960 0.001 0.000 0.253 476 G C -0.054 174.833 174.900 -0.021 0.000 0.979 476 G CA 0.627 45.727 45.100 -0.000 0.000 0.641 476 G HN 0.536 nan 8.290 nan 0.000 0.530 477 R N -0.910 119.589 120.500 -0.000 0.000 2.867 477 R HA 0.802 5.143 4.340 0.001 0.000 0.268 477 R C -0.240 176.057 176.300 -0.005 0.000 1.014 477 R CA -1.379 54.710 56.100 -0.018 0.000 0.946 477 R CB 0.552 30.834 30.300 -0.032 0.000 1.208 477 R HN 0.099 nan 8.270 nan 0.000 0.477 478 L N 2.881 124.098 121.223 -0.010 0.000 2.515 478 L HA 0.077 4.417 4.340 0.001 0.000 0.281 478 L C 0.759 177.608 176.870 -0.034 0.000 1.131 478 L CA -0.304 54.539 54.840 0.004 0.000 0.905 478 L CB 0.534 42.606 42.059 0.022 0.000 1.246 478 L HN 0.616 nan 8.230 nan 0.000 0.463 479 L N 3.784 124.963 121.223 -0.073 0.000 1.994 479 L HA -0.036 4.305 4.340 0.001 0.000 0.208 479 L C 0.812 177.620 176.870 -0.104 0.000 1.071 479 L CA 1.832 56.578 54.840 -0.158 0.000 0.745 479 L CB -0.306 41.528 42.059 -0.375 0.000 0.892 479 L HN 0.610 nan 8.230 nan 0.000 0.431 480 K N -1.481 118.891 120.400 -0.047 0.000 2.551 480 K HA 0.659 4.979 4.320 0.001 0.000 0.269 480 K C -1.909 174.712 176.600 0.035 0.000 0.949 480 K CA -0.216 56.082 56.287 0.018 0.000 0.849 480 K CB 1.870 34.424 32.500 0.090 0.000 1.411 480 K HN 0.075 nan 8.250 nan 0.000 0.432 481 A N 1.409 124.206 122.820 -0.038 0.000 2.549 481 A HA 0.896 5.216 4.320 0.001 0.000 0.297 481 A C -0.811 176.551 177.584 -0.370 0.000 1.061 481 A CA -0.160 51.771 52.037 -0.176 0.000 0.690 481 A CB 1.842 20.816 19.000 -0.043 0.000 1.287 481 A HN 0.945 nan 8.150 nan 0.000 0.402 482 G N 0.671 108.975 108.800 -0.828 0.000 2.561 482 G HA2 0.630 4.591 3.960 0.001 0.000 0.310 482 G HA3 0.630 4.591 3.960 0.001 0.000 0.310 482 G C -1.784 172.817 174.900 -0.499 0.000 1.292 482 G CA -0.762 43.959 45.100 -0.633 0.000 0.811 482 G HN 0.646 nan 8.290 nan 0.000 0.482 483 R N -0.004 120.451 120.500 -0.076 0.000 2.686 483 R HA 0.549 4.890 4.340 0.001 0.000 0.286 483 R C -1.333 175.107 176.300 0.232 0.000 0.969 483 R CA -0.852 55.298 56.100 0.082 0.000 0.898 483 R CB 2.111 32.378 30.300 -0.056 0.000 1.183 483 R HN 0.519 nan 8.270 nan 0.000 0.456 484 Q N 2.306 122.225 119.800 0.199 0.000 2.348 484 Q HA 0.260 4.600 4.340 0.001 0.000 0.265 484 Q C -0.493 175.530 176.000 0.039 0.000 0.998 484 Q CA -0.678 55.137 55.803 0.020 0.000 0.831 484 Q CB 1.418 29.904 28.738 -0.420 0.000 1.251 484 Q HN 0.520 nan 8.270 nan 0.000 0.456 485 V N 2.185 122.116 119.914 0.029 0.000 2.924 485 V HA 0.647 4.768 4.120 0.001 0.000 0.305 485 V C -0.266 175.821 176.094 -0.012 0.000 1.073 485 V CA -0.590 61.727 62.300 0.028 0.000 1.098 485 V CB 1.297 33.136 31.823 0.027 0.000 1.000 485 V HN 0.855 nan 8.190 nan 0.000 0.484 486 R N 1.655 122.123 120.500 -0.052 0.000 2.604 486 R HA 0.549 4.890 4.340 0.001 0.000 0.281 486 R C -1.197 175.064 176.300 -0.065 0.000 1.020 486 R CA -0.609 55.446 56.100 -0.074 0.000 0.899 486 R CB 2.315 32.493 30.300 -0.203 0.000 1.205 486 R HN 0.947 nan 8.270 nan 0.000 0.450 487 E N 3.076 123.254 120.200 -0.037 0.000 2.222 487 E HA 0.388 4.739 4.350 0.001 0.000 0.272 487 E C -2.461 174.115 176.600 -0.041 0.000 0.982 487 E CA -1.998 54.383 56.400 -0.032 0.000 0.842 487 E CB 1.259 30.951 29.700 -0.013 0.000 1.144 487 E HN 0.328 nan 8.360 nan 0.000 0.397 488 P HA 0.109 nan 4.420 nan 0.000 0.268 488 P C 0.445 177.730 177.300 -0.025 0.000 1.204 488 P CA 0.732 63.807 63.100 -0.041 0.000 0.768 488 P CB 0.681 32.360 31.700 -0.034 0.000 0.842 489 G N 1.790 110.575 108.800 -0.024 0.000 2.225 489 G HA2 -0.272 3.689 3.960 0.001 0.000 0.254 489 G HA3 -0.272 3.689 3.960 0.001 0.000 0.254 489 G C 0.113 175.014 174.900 0.002 0.000 0.988 489 G CA -0.314 44.780 45.100 -0.010 0.000 0.625 489 G HN 0.598 nan 8.290 nan 0.000 0.527 490 Q N 1.010 120.812 119.800 0.003 0.000 2.402 490 Q HA 0.292 4.633 4.340 0.001 0.000 0.238 490 Q C 0.496 176.524 176.000 0.046 0.000 1.126 490 Q CA -0.346 55.471 55.803 0.024 0.000 0.904 490 Q CB 0.664 29.417 28.738 0.026 0.000 1.357 490 Q HN 0.323 nan 8.270 nan 0.000 0.491 491 D N 1.533 121.963 120.400 0.049 0.000 2.117 491 D HA -0.072 4.569 4.640 0.001 0.000 0.197 491 D C 0.144 176.501 176.300 0.095 0.000 0.987 491 D CA 1.238 55.278 54.000 0.067 0.000 0.829 491 D CB 0.378 41.210 40.800 0.054 0.000 0.961 491 D HN 0.357 nan 8.370 nan 0.000 0.460 492 L N 0.802 122.076 121.223 0.085 0.000 2.349 492 L HA 0.347 4.688 4.340 0.001 0.000 0.278 492 L C -0.588 176.343 176.870 0.100 0.000 0.996 492 L CA -0.792 54.105 54.840 0.096 0.000 0.825 492 L CB 2.274 44.376 42.059 0.071 0.000 1.243 492 L HN -0.205 nan 8.230 nan 0.000 0.412 493 V N 1.705 121.700 119.914 0.134 0.000 2.864 493 V HA 0.736 4.856 4.120 0.001 0.000 0.314 493 V C -0.644 175.536 176.094 0.143 0.000 1.073 493 V CA -0.743 61.622 62.300 0.108 0.000 0.956 493 V CB 2.115 33.989 31.823 0.084 0.000 1.023 493 V HN 0.330 nan 8.190 nan 0.000 0.435 494 V N 4.277 124.249 119.914 0.097 0.000 2.407 494 V HA 0.465 4.586 4.120 0.001 0.000 0.291 494 V C -0.374 175.769 176.094 0.081 0.000 1.018 494 V CA -0.364 62.001 62.300 0.109 0.000 0.842 494 V CB 1.299 33.158 31.823 0.059 0.000 0.996 494 V HN 0.915 nan 8.190 nan 0.000 0.426 495 L N 8.721 130.023 121.223 0.131 0.000 2.260 495 L HA 0.615 4.956 4.340 0.001 0.000 0.289 495 L C -2.265 174.613 176.870 0.013 0.000 1.057 495 L CA -1.387 53.485 54.840 0.054 0.000 0.811 495 L CB 1.456 43.561 42.059 0.076 0.000 1.184 495 L HN 0.391 nan 8.230 nan 0.000 0.429 496 P HA 0.141 nan 4.420 nan 0.000 0.266 496 P C -0.832 176.446 177.300 -0.038 0.000 1.586 496 P CA -0.361 62.728 63.100 -0.018 0.000 1.088 496 P CB 0.783 32.477 31.700 -0.009 0.000 1.584 497 L N 3.229 124.413 121.223 -0.064 0.000 2.305 497 L HA 0.280 4.620 4.340 0.001 0.000 0.281 497 L C 0.195 176.979 176.870 -0.143 0.000 1.085 497 L CA 0.285 55.069 54.840 -0.093 0.000 0.813 497 L CB 0.783 42.779 42.059 -0.105 0.000 1.157 497 L HN 0.151 nan 8.230 nan 0.000 0.436 498 S N 6.191 121.803 115.700 -0.147 0.000 2.439 498 S HA 0.464 4.935 4.470 0.001 0.000 0.282 498 S C -0.096 174.223 174.600 -0.469 0.000 1.170 498 S CA -0.565 57.516 58.200 -0.198 0.000 1.054 498 S CB 0.221 63.370 63.200 -0.086 0.000 0.956 498 S HN 0.343 nan 8.310 nan 0.000 0.490 499 I N 4.287 124.543 120.570 -0.524 0.000 2.395 499 I HA 0.302 4.473 4.170 0.001 0.000 0.289 499 I C 1.136 177.032 176.117 -0.367 0.000 1.023 499 I CA -0.093 60.722 61.300 -0.808 0.000 1.350 499 I CB 0.310 38.029 38.000 -0.468 0.000 1.409 499 I HN 0.659 nan 8.210 nan 0.000 0.507 500 T N 0.474 114.924 114.554 -0.173 0.000 2.773 500 T HA 0.326 4.677 4.350 0.001 0.000 0.278 500 T C 1.090 175.904 174.700 0.190 0.000 1.011 500 T CA -0.021 62.134 62.100 0.092 0.000 1.014 500 T CB 1.421 70.396 68.868 0.177 0.000 1.293 500 T HN 0.630 nan 8.240 nan 0.000 0.554 501 T N -1.688 112.947 114.554 0.135 0.000 3.051 501 T HA -0.012 4.338 4.350 0.001 0.000 0.269 501 T C 0.999 175.782 174.700 0.138 0.000 1.127 501 T CA 0.896 63.066 62.100 0.116 0.000 1.107 501 T CB -0.613 68.314 68.868 0.098 0.000 0.898 501 T HN 0.567 nan 8.240 nan 0.000 0.517 502 D N 0.630 121.132 120.400 0.169 0.000 2.312 502 D HA 0.071 4.712 4.640 0.001 0.000 0.211 502 D C 1.014 177.292 176.300 -0.038 0.000 0.964 502 D CA 0.545 54.576 54.000 0.052 0.000 0.877 502 D CB -0.286 40.493 40.800 -0.035 0.000 0.924 502 D HN 0.531 nan 8.370 nan 0.000 0.515 503 F N 0.353 120.273 119.950 -0.051 0.000 2.776 503 F HA 0.201 4.729 4.527 0.001 0.000 0.300 503 F C 1.120 176.922 175.800 0.003 0.000 1.116 503 F CA -0.272 57.696 58.000 -0.053 0.000 1.375 503 F CB 0.155 39.066 39.000 -0.149 0.000 1.109 503 F HN -0.228 nan 8.300 nan 0.000 0.585 504 I N 3.231 123.819 120.570 0.029 0.000 2.692 504 I HA -0.002 4.168 4.170 0.001 0.000 0.284 504 I C -1.273 174.631 176.117 -0.356 0.000 1.159 504 I CA -1.224 59.903 61.300 -0.289 0.000 1.423 504 I CB 0.499 38.164 38.000 -0.558 0.000 1.380 504 I HN -0.152 nan 8.210 nan 0.000 0.580 505 P HA 0.058 nan 4.420 nan 0.000 0.257 505 P C -0.339 176.870 177.300 -0.152 0.000 1.241 505 P CA 0.382 63.197 63.100 -0.477 0.000 0.816 505 P CB 0.534 32.014 31.700 -0.367 0.000 1.150 506 S N -0.749 114.978 115.700 0.045 0.000 2.645 506 S HA 0.628 5.098 4.470 0.001 0.000 0.268 506 S C -1.187 173.628 174.600 0.357 0.000 1.110 506 S CA -0.921 57.356 58.200 0.129 0.000 0.823 506 S CB 0.533 63.769 63.200 0.060 0.000 1.091 506 S HN 0.113 nan 8.310 nan 0.000 0.466 507 F N -1.238 118.852 119.950 0.234 0.000 2.745 507 F HA 0.878 5.405 4.527 0.001 0.000 0.316 507 F C -1.092 174.889 175.800 0.301 0.000 1.155 507 F CA -1.262 56.879 58.000 0.234 0.000 0.937 507 F CB 1.230 40.353 39.000 0.204 0.000 1.361 507 F HN 0.751 nan 8.300 nan 0.000 0.472 508 R N 1.706 122.448 120.500 0.404 0.000 2.534 508 R HA 0.634 4.974 4.340 0.001 0.000 0.301 508 R C -1.893 174.617 176.300 0.350 0.000 0.961 508 R CA -1.057 55.189 56.100 0.243 0.000 0.871 508 R CB 2.121 32.484 30.300 0.105 0.000 1.170 508 R HN 0.676 nan 8.270 nan 0.000 0.446 509 L N 5.101 126.479 121.223 0.259 0.000 2.305 509 L HA 0.546 4.886 4.340 0.001 0.000 0.284 509 L C -1.053 175.891 176.870 0.123 0.000 1.013 509 L CA -0.589 54.412 54.840 0.268 0.000 0.819 509 L CB 1.566 43.785 42.059 0.266 0.000 1.227 509 L HN 0.481 nan 8.230 nan 0.000 0.417 510 V N 4.490 124.494 119.914 0.150 0.000 2.680 510 V HA 1.005 5.126 4.120 0.001 0.000 0.309 510 V C -0.694 175.498 176.094 0.162 0.000 1.052 510 V CA 0.023 62.355 62.300 0.052 0.000 0.908 510 V CB 1.646 33.437 31.823 -0.054 0.000 1.001 510 V HN 1.145 nan 8.190 nan 0.000 0.431 511 A N 5.140 128.028 122.820 0.115 0.000 2.454 511 A HA 1.017 5.337 4.320 0.001 0.000 0.302 511 A C -1.260 176.525 177.584 0.334 0.000 1.079 511 A CA -0.458 51.772 52.037 0.322 0.000 0.731 511 A CB 1.836 21.051 19.000 0.359 0.000 1.299 511 A HN 2.099 nan 8.150 nan 0.000 0.413 512 Y N -1.091 119.393 120.300 0.307 0.000 2.597 512 Y HA 0.785 5.335 4.550 0.001 0.000 0.340 512 Y C -1.090 175.070 175.900 0.433 0.000 1.097 512 Y CA -1.455 56.788 58.100 0.237 0.000 1.037 512 Y CB 1.037 39.577 38.460 0.134 0.000 1.305 512 Y HN 0.976 nan 8.280 nan 0.000 0.463 513 Y N -0.760 119.700 120.300 0.268 0.000 2.562 513 Y HA 0.860 5.411 4.550 0.001 0.000 0.343 513 Y C -0.855 175.077 175.900 0.053 0.000 1.025 513 Y CA -1.141 56.975 58.100 0.027 0.000 1.082 513 Y CB 2.042 40.481 38.460 -0.036 0.000 1.264 513 Y HN 0.886 nan 8.280 nan 0.000 0.478 514 T N 3.575 118.151 114.554 0.036 0.000 2.900 514 T HA 0.764 5.114 4.350 0.001 0.000 0.295 514 T C -1.398 173.263 174.700 -0.065 0.000 1.044 514 T CA -0.651 61.404 62.100 -0.075 0.000 0.995 514 T CB 0.930 69.687 68.868 -0.185 0.000 1.072 514 T HN 1.026 nan 8.240 nan 0.000 0.473 515 L N 2.228 123.411 121.223 -0.067 0.000 2.600 515 L HA 0.752 5.093 4.340 0.001 0.000 0.257 515 L C -1.484 175.326 176.870 -0.100 0.000 1.048 515 L CA -1.321 53.476 54.840 -0.071 0.000 0.869 515 L CB 1.750 43.793 42.059 -0.026 0.000 1.482 515 L HN 0.570 nan 8.230 nan 0.000 0.408 516 I N 1.107 121.613 120.570 -0.107 0.000 2.353 516 I HA 0.701 4.872 4.170 0.001 0.000 0.293 516 I C 0.041 176.032 176.117 -0.210 0.000 0.992 516 I CA 0.563 61.785 61.300 -0.130 0.000 1.268 516 I CB 1.216 39.155 38.000 -0.101 0.000 1.387 516 I HN 0.993 nan 8.210 nan 0.000 0.478 517 G N 4.947 113.590 108.800 -0.262 0.000 3.190 517 G HA2 0.385 4.346 3.960 0.001 0.000 0.191 517 G HA3 0.385 4.346 3.960 0.001 0.000 0.191 517 G C 0.940 175.585 174.900 -0.426 0.000 1.523 517 G CA 0.441 45.236 45.100 -0.508 0.000 0.842 517 G HN 0.724 nan 8.290 nan 0.000 0.782 518 A N 0.156 122.835 122.820 -0.236 0.000 1.827 518 A HA -0.139 4.182 4.320 0.001 0.000 0.262 518 A C 1.373 178.937 177.584 -0.033 0.000 2.408 518 A CA 3.725 55.725 52.037 -0.063 0.000 0.827 518 A CB -1.340 17.640 19.000 -0.034 0.000 0.840 518 A HN 1.993 nan 8.150 nan 0.000 0.513 519 S N -4.457 111.209 115.700 -0.055 0.000 2.612 519 S HA 0.522 4.992 4.470 0.001 0.000 0.167 519 S C 0.610 175.184 174.600 -0.044 0.000 0.961 519 S CA 0.448 58.628 58.200 -0.033 0.000 1.085 519 S CB 0.417 63.614 63.200 -0.005 0.000 1.477 519 S HN 2.393 nan 8.310 nan 0.000 0.413 520 G N 1.467 110.230 108.800 -0.062 0.000 2.205 520 G HA2 -0.332 3.629 3.960 0.001 0.000 0.261 520 G HA3 -0.332 3.629 3.960 0.001 0.000 0.261 520 G C 0.092 174.953 174.900 -0.066 0.000 0.980 520 G CA 0.415 45.481 45.100 -0.056 0.000 0.632 520 G HN 0.987 nan 8.290 nan 0.000 0.533 521 Q N 0.412 120.166 119.800 -0.077 0.000 2.297 521 Q HA 0.439 4.780 4.340 0.001 0.000 0.267 521 Q C 0.449 176.393 176.000 -0.094 0.000 1.006 521 Q CA -0.558 55.200 55.803 -0.075 0.000 0.896 521 Q CB 0.476 29.172 28.738 -0.069 0.000 1.186 521 Q HN 0.320 nan 8.270 nan 0.000 0.392 522 R N 3.211 123.660 120.500 -0.084 0.000 2.298 522 R HA 0.113 4.454 4.340 0.001 0.000 0.310 522 R C -1.220 175.004 176.300 -0.127 0.000 1.068 522 R CA 0.089 56.129 56.100 -0.101 0.000 0.957 522 R CB 0.724 30.972 30.300 -0.087 0.000 1.003 522 R HN 0.735 nan 8.270 nan 0.000 0.454 523 E N 3.282 123.391 120.200 -0.151 0.000 2.218 523 E HA 0.393 4.743 4.350 0.001 0.000 0.263 523 E C -1.516 174.917 176.600 -0.278 0.000 0.879 523 E CA -0.888 55.397 56.400 -0.192 0.000 0.762 523 E CB 1.397 31.018 29.700 -0.131 0.000 1.166 523 E HN 0.371 nan 8.360 nan 0.000 0.415 524 V N 4.801 124.431 119.914 -0.475 0.000 2.384 524 V HA 0.439 4.560 4.120 0.001 0.000 0.287 524 V C -0.533 175.267 176.094 -0.490 0.000 1.020 524 V CA -0.831 61.113 62.300 -0.593 0.000 0.850 524 V CB 1.449 32.651 31.823 -1.036 0.000 0.987 524 V HN 0.530 nan 8.190 nan 0.000 0.436 525 V N 3.852 123.497 119.914 -0.449 0.000 2.444 525 V HA 0.888 5.008 4.120 0.001 0.000 0.294 525 V C 0.208 176.174 176.094 -0.214 0.000 1.022 525 V CA -0.399 61.668 62.300 -0.388 0.000 0.850 525 V CB 1.486 32.756 31.823 -0.921 0.000 0.992 525 V HN 1.024 nan 8.190 nan 0.000 0.426 526 A N 3.328 126.148 122.820 0.000 0.000 2.401 526 A HA 0.901 5.222 4.320 0.001 0.000 0.310 526 A C -1.183 176.334 177.584 -0.112 0.000 1.075 526 A CA -0.453 51.551 52.037 -0.056 0.000 0.746 526 A CB 2.047 20.897 19.000 -0.250 0.000 1.277 526 A HN 0.734 nan 8.150 nan 0.000 0.425 527 D N -0.610 119.716 120.400 -0.123 0.000 2.566 527 D HA 0.774 5.415 4.640 0.001 0.000 0.254 527 D C -0.560 175.652 176.300 -0.147 0.000 1.090 527 D CA 0.518 54.433 54.000 -0.142 0.000 1.034 527 D CB 2.161 42.868 40.800 -0.156 0.000 1.434 527 D HN 0.888 nan 8.370 nan 0.000 0.509 528 S N -0.412 115.216 115.700 -0.120 0.000 2.547 528 S HA 0.697 5.168 4.470 0.001 0.000 0.270 528 S C -1.897 172.660 174.600 -0.071 0.000 1.150 528 S CA -0.748 57.398 58.200 -0.090 0.000 0.850 528 S CB 1.408 64.566 63.200 -0.071 0.000 1.118 528 S HN 0.396 nan 8.310 nan 0.000 0.461 529 V N 2.143 122.029 119.914 -0.048 0.000 2.808 529 V HA 0.686 4.806 4.120 0.001 0.000 0.308 529 V C -1.898 174.222 176.094 0.043 0.000 1.099 529 V CA -0.426 61.851 62.300 -0.039 0.000 0.920 529 V CB 2.014 33.757 31.823 -0.134 0.000 1.014 529 V HN 1.009 nan 8.190 nan 0.000 0.425 530 W N 6.458 127.660 121.300 -0.163 0.000 2.335 530 W HA 0.711 5.372 4.660 0.001 0.000 0.307 530 W C -1.063 175.270 176.519 -0.311 0.000 1.117 530 W CA -1.002 56.223 57.345 -0.200 0.000 1.228 530 W CB 1.407 30.792 29.460 -0.124 0.000 1.240 530 W HN 0.339 nan 8.180 nan 0.000 0.468 531 V N 6.927 126.606 119.914 -0.392 0.000 2.378 531 V HA 0.092 4.212 4.120 0.001 0.000 0.288 531 V C -0.147 175.562 176.094 -0.642 0.000 1.016 531 V CA -0.878 61.027 62.300 -0.658 0.000 0.840 531 V CB 1.324 32.582 31.823 -0.942 0.000 0.994 531 V HN 0.383 nan 8.190 nan 0.000 0.431 532 D N 3.495 123.558 120.400 -0.562 0.000 2.389 532 D HA 0.364 5.004 4.640 0.001 0.000 0.247 532 D C -0.485 175.668 176.300 -0.245 0.000 1.128 532 D CA 0.386 54.128 54.000 -0.430 0.000 0.884 532 D CB 1.573 42.090 40.800 -0.472 0.000 1.194 532 D HN 0.273 nan 8.370 nan 0.000 0.441 533 V N 3.377 123.199 119.914 -0.153 0.000 2.680 533 V HA 0.230 4.350 4.120 0.001 0.000 0.309 533 V C -0.004 176.003 176.094 -0.146 0.000 1.052 533 V CA -1.149 61.102 62.300 -0.081 0.000 0.908 533 V CB 1.844 33.695 31.823 0.047 0.000 1.001 533 V HN 0.484 nan 8.190 nan 0.000 0.431 534 K N 3.013 123.338 120.400 -0.125 0.000 2.436 534 K HA 0.059 4.380 4.320 0.001 0.000 0.282 534 K C -0.292 176.208 176.600 -0.167 0.000 1.044 534 K CA 0.251 56.460 56.287 -0.131 0.000 1.028 534 K CB -0.041 32.402 32.500 -0.095 0.000 0.919 534 K HN 0.589 nan 8.250 nan 0.000 0.474 535 D N 2.503 122.782 120.400 -0.201 0.000 2.390 535 D HA 0.150 4.790 4.640 0.001 0.000 0.249 535 D C -0.318 175.927 176.300 -0.093 0.000 1.144 535 D CA 0.382 54.208 54.000 -0.290 0.000 0.880 535 D CB 0.892 41.547 40.800 -0.243 0.000 1.182 535 D HN 0.693 nan 8.370 nan 0.000 0.451 536 S N 0.398 116.085 115.700 -0.022 0.000 2.790 536 S HA 0.471 4.942 4.470 0.001 0.000 0.292 536 S C -0.358 174.454 174.600 0.353 0.000 1.197 536 S CA -0.921 57.362 58.200 0.139 0.000 0.851 536 S CB 0.420 63.657 63.200 0.061 0.000 1.217 536 S HN 0.483 nan 8.310 nan 0.000 0.526 537 C N 1.095 120.542 119.300 0.245 0.000 2.700 537 C HA 0.303 4.763 4.460 0.001 0.000 0.397 537 C C 2.407 177.529 174.990 0.221 0.000 1.301 537 C CA -0.301 58.856 59.018 0.232 0.000 2.219 537 C CB -0.051 27.741 27.740 0.087 0.000 2.699 537 C HN 0.657 nan 8.230 nan 0.000 0.669 538 V N 2.437 122.494 119.914 0.238 0.000 2.295 538 V HA -0.023 4.097 4.120 0.001 0.000 0.246 538 V C 1.825 177.983 176.094 0.106 0.000 1.049 538 V CA 2.498 64.902 62.300 0.174 0.000 1.024 538 V CB -1.231 30.700 31.823 0.180 0.000 0.648 538 V HN 1.107 nan 8.190 nan 0.000 0.447 539 G N -1.586 107.265 108.800 0.085 0.000 3.286 539 G HA2 0.405 4.366 3.960 0.001 0.000 0.173 539 G HA3 0.405 4.366 3.960 0.001 0.000 0.173 539 G C -0.177 174.753 174.900 0.050 0.000 1.704 539 G CA 0.615 45.751 45.100 0.060 0.000 1.041 539 G HN 0.491 nan 8.290 nan 0.000 0.561 540 S N -1.521 114.200 115.700 0.036 0.000 2.584 540 S HA 0.491 4.962 4.470 0.001 0.000 0.280 540 S C -2.181 172.430 174.600 0.017 0.000 1.162 540 S CA -0.530 57.686 58.200 0.027 0.000 0.951 540 S CB 1.332 64.549 63.200 0.028 0.000 1.108 540 S HN 0.791 nan 8.310 nan 0.000 0.464 541 L N 5.474 126.702 121.223 0.008 0.000 2.439 541 L HA 0.814 5.155 4.340 0.001 0.000 0.270 541 L C -1.616 175.256 176.870 0.003 0.000 0.972 541 L CA -0.300 54.541 54.840 0.002 0.000 0.836 541 L CB 1.784 43.836 42.059 -0.012 0.000 1.255 541 L HN 0.531 nan 8.230 nan 0.000 0.404 542 V N 5.425 125.344 119.914 0.008 0.000 2.531 542 V HA 0.610 4.731 4.120 0.001 0.000 0.301 542 V C -0.539 175.562 176.094 0.012 0.000 1.034 542 V CA -0.762 61.544 62.300 0.009 0.000 0.865 542 V CB 2.078 33.908 31.823 0.011 0.000 0.995 542 V HN 0.456 nan 8.190 nan 0.000 0.424 543 V N 5.874 125.795 119.914 0.012 0.000 2.435 543 V HA 0.696 4.817 4.120 0.001 0.000 0.290 543 V C 0.043 176.147 176.094 0.017 0.000 1.030 543 V CA -0.476 61.834 62.300 0.016 0.000 0.881 543 V CB 1.471 33.306 31.823 0.019 0.000 0.983 543 V HN 1.074 nan 8.190 nan 0.000 0.445 544 K N 1.719 122.130 120.400 0.018 0.000 2.308 544 K HA 0.613 4.933 4.320 0.001 0.000 0.268 544 K C -0.678 175.933 176.600 0.019 0.000 0.992 544 K CA -0.769 55.529 56.287 0.019 0.000 0.836 544 K CB 1.510 34.020 32.500 0.016 0.000 1.507 544 K HN 0.353 nan 8.250 nan 0.000 0.394 545 S N -1.199 114.512 115.700 0.018 0.000 2.545 545 S HA 0.369 4.840 4.470 0.001 0.000 0.275 545 S C 0.689 175.299 174.600 0.016 0.000 1.299 545 S CA 0.027 58.238 58.200 0.018 0.000 1.048 545 S CB 0.609 63.820 63.200 0.018 0.000 0.938 545 S HN 0.685 nan 8.310 nan 0.000 0.496 546 G N 2.535 111.345 108.800 0.015 0.000 2.762 546 G HA2 0.132 4.092 3.960 0.001 0.000 0.209 546 G HA3 0.132 4.092 3.960 0.001 0.000 0.209 546 G C 0.403 175.310 174.900 0.013 0.000 1.134 546 G CA -0.032 45.077 45.100 0.014 0.000 0.781 546 G HN 0.692 nan 8.290 nan 0.000 0.528 547 Q N 0.459 120.266 119.800 0.012 0.000 2.378 547 Q HA 0.495 4.836 4.340 0.001 0.000 0.276 547 Q C -1.298 174.709 176.000 0.011 0.000 1.083 547 Q CA -0.542 55.268 55.803 0.011 0.000 0.856 547 Q CB 1.361 30.105 28.738 0.010 0.000 1.383 547 Q HN -0.080 nan 8.270 nan 0.000 0.458 548 S N 1.787 117.493 115.700 0.010 0.000 2.411 548 S HA 0.461 4.931 4.470 0.001 0.000 0.304 548 S C -0.606 174.000 174.600 0.010 0.000 1.098 548 S CA -0.132 58.074 58.200 0.010 0.000 1.068 548 S CB 0.233 63.438 63.200 0.009 0.000 1.032 548 S HN 0.626 nan 8.310 nan 0.000 0.511 549 E N 1.455 121.662 120.200 0.012 0.000 0.535 549 E HA 0.199 4.550 4.350 0.001 0.000 0.140 549 E C -1.887 174.722 176.600 0.015 0.000 2.523 549 E CA 0.230 56.637 56.400 0.012 0.000 1.501 549 E CB -0.148 29.558 29.700 0.011 0.000 0.441 549 E HN 0.615 nan 8.360 nan 0.000 0.896 550 D N -0.704 119.705 120.400 0.015 0.000 2.991 550 D HA 0.010 4.651 4.640 0.001 0.000 0.135 550 D C -1.371 174.939 176.300 0.016 0.000 0.838 550 D CA -0.255 53.753 54.000 0.014 0.000 1.325 550 D CB 0.293 41.100 40.800 0.012 0.000 5.251 550 D HN 0.248 nan 8.370 nan 0.000 0.705 551 R N 3.231 123.740 120.500 0.016 0.000 3.955 551 R HA 0.152 4.492 4.340 0.001 0.000 0.170 551 R C -0.351 175.961 176.300 0.019 0.000 1.821 551 R CA 0.798 56.909 56.100 0.019 0.000 1.329 551 R CB -1.622 28.689 30.300 0.018 0.000 1.345 551 R HN 0.654 nan 8.270 nan 0.000 0.763 552 Q N -0.288 119.526 119.800 0.022 0.000 3.149 552 Q HA -0.122 4.219 4.340 0.001 0.000 0.055 552 Q C -2.386 173.623 176.000 0.015 0.000 1.662 552 Q CA -0.017 55.801 55.803 0.024 0.000 0.281 552 Q CB -0.293 28.463 28.738 0.030 0.000 0.584 552 Q HN 0.365 nan 8.270 nan 0.000 0.322 553 P HA 0.326 nan 4.420 nan 0.000 0.274 553 P C -0.858 176.444 177.300 0.003 0.000 1.246 553 P CA -0.479 62.626 63.100 0.009 0.000 0.795 553 P CB 0.866 32.573 31.700 0.013 0.000 1.006 554 V N 2.210 122.122 119.914 -0.003 0.000 2.630 554 V HA 0.346 4.466 4.120 0.001 0.000 0.305 554 V C -2.165 173.923 176.094 -0.011 0.000 1.046 554 V CA -2.415 59.878 62.300 -0.013 0.000 0.934 554 V CB 1.384 33.198 31.823 -0.015 0.000 1.003 554 V HN 0.542 nan 8.190 nan 0.000 0.451 555 P HA 0.229 nan 4.420 nan 0.000 0.265 555 P C 0.784 178.077 177.300 -0.010 0.000 1.187 555 P CA 1.428 64.520 63.100 -0.013 0.000 0.766 555 P CB 0.521 32.208 31.700 -0.022 0.000 0.820 556 G N 1.189 109.986 108.800 -0.006 0.000 2.267 556 G HA2 -0.321 3.640 3.960 0.001 0.000 0.257 556 G HA3 -0.321 3.640 3.960 0.001 0.000 0.257 556 G C 0.381 175.279 174.900 -0.003 0.000 0.998 556 G CA 0.208 45.304 45.100 -0.005 0.000 0.620 556 G HN 0.703 nan 8.290 nan 0.000 0.529 557 Q N 1.332 121.130 119.800 -0.002 0.000 2.361 557 Q HA 0.379 4.720 4.340 0.001 0.000 0.276 557 Q C 1.000 177.001 176.000 0.002 0.000 1.022 557 Q CA 0.248 56.050 55.803 -0.001 0.000 0.898 557 Q CB 0.242 28.980 28.738 -0.000 0.000 1.246 557 Q HN 0.720 nan 8.270 nan 0.000 0.410 558 Q N 3.505 123.307 119.800 0.003 0.000 2.299 558 Q HA 0.448 4.789 4.340 0.001 0.000 0.246 558 Q C -0.689 175.315 176.000 0.007 0.000 0.935 558 Q CA -0.378 55.428 55.803 0.005 0.000 0.887 558 Q CB 1.122 29.862 28.738 0.004 0.000 1.223 558 Q HN 0.662 nan 8.270 nan 0.000 0.439 559 M N -0.319 119.286 119.600 0.009 0.000 2.618 559 M HA 0.532 5.012 4.480 0.001 0.000 0.281 559 M C -1.425 174.882 176.300 0.011 0.000 1.267 559 M CA -0.794 54.512 55.300 0.011 0.000 0.845 559 M CB 2.583 35.190 32.600 0.013 0.000 1.732 559 M HN 0.415 nan 8.290 nan 0.000 0.461 560 T N 2.798 117.359 114.554 0.012 0.000 2.733 560 T HA 0.551 4.902 4.350 0.001 0.000 0.294 560 T C -0.681 174.028 174.700 0.015 0.000 0.956 560 T CA -0.435 61.672 62.100 0.013 0.000 0.987 560 T CB 0.648 69.523 68.868 0.012 0.000 0.920 560 T HN 0.475 nan 8.240 nan 0.000 0.470 561 L N 3.770 125.002 121.223 0.016 0.000 2.350 561 L HA 0.489 4.829 4.340 0.001 0.000 0.275 561 L C 0.221 177.101 176.870 0.017 0.000 1.099 561 L CA -0.051 54.800 54.840 0.018 0.000 0.808 561 L CB 0.880 42.950 42.059 0.019 0.000 1.149 561 L HN 0.463 nan 8.230 nan 0.000 0.442 562 K N 4.662 125.073 120.400 0.018 0.000 2.358 562 K HA 0.558 4.878 4.320 0.001 0.000 0.260 562 K C -1.431 175.180 176.600 0.018 0.000 0.956 562 K CA -0.445 55.853 56.287 0.018 0.000 0.834 562 K CB 0.824 33.334 32.500 0.017 0.000 1.102 562 K HN 0.545 nan 8.250 nan 0.000 0.431 563 I N 4.640 125.221 120.570 0.019 0.000 2.382 563 I HA 0.187 4.358 4.170 0.001 0.000 0.286 563 I C -0.423 175.708 176.117 0.022 0.000 1.002 563 I CA -0.505 60.806 61.300 0.019 0.000 1.135 563 I CB 1.650 39.661 38.000 0.019 0.000 1.288 563 I HN 0.494 nan 8.210 nan 0.000 0.448 564 E N 5.618 125.830 120.200 0.021 0.000 2.171 564 E HA 0.774 5.124 4.350 0.001 0.000 0.271 564 E C -0.107 176.508 176.600 0.025 0.000 0.916 564 E CA -0.754 55.661 56.400 0.025 0.000 0.774 564 E CB 2.635 32.348 29.700 0.022 0.000 1.128 564 E HN 0.743 nan 8.360 nan 0.000 0.403 565 G N 2.169 110.989 108.800 0.033 0.000 2.650 565 G HA2 0.166 4.127 3.960 0.001 0.000 0.310 565 G HA3 0.166 4.127 3.960 0.001 0.000 0.310 565 G C -1.456 173.474 174.900 0.050 0.000 1.270 565 G CA -0.785 44.335 45.100 0.033 0.000 0.810 565 G HN 0.445 nan 8.290 nan 0.000 0.493 566 D N 0.521 120.950 120.400 0.048 0.000 2.304 566 D HA 0.266 4.907 4.640 0.001 0.000 0.250 566 D C -0.028 176.327 176.300 0.092 0.000 1.107 566 D CA 0.054 54.097 54.000 0.071 0.000 0.885 566 D CB 1.357 42.190 40.800 0.056 0.000 1.192 566 D HN 0.378 nan 8.370 nan 0.000 0.436 567 H N 0.393 119.473 119.070 0.017 0.000 3.125 567 H HA 0.224 4.780 4.556 0.001 0.000 0.310 567 H C 1.469 176.808 175.328 0.017 0.000 0.980 567 H CA 1.603 57.661 56.048 0.016 0.000 1.422 567 H CB 0.099 29.870 29.762 0.015 0.000 1.432 567 H HN 0.697 nan 8.280 nan 0.000 0.577 568 G N 2.583 111.130 108.800 -0.422 0.000 2.159 568 G HA2 -0.221 3.740 3.960 0.001 0.000 0.256 568 G HA3 -0.221 3.740 3.960 0.001 0.000 0.256 568 G C 0.365 175.194 174.900 -0.117 0.000 0.977 568 G CA 0.186 45.103 45.100 -0.305 0.000 0.652 568 G HN 0.967 nan 8.290 nan 0.000 0.531 569 A N -0.178 122.600 122.820 -0.068 0.000 2.388 569 A HA 0.719 5.039 4.320 0.001 0.000 0.257 569 A C 0.701 178.274 177.584 -0.019 0.000 1.095 569 A CA 0.431 52.454 52.037 -0.023 0.000 0.791 569 A CB 0.346 19.345 19.000 -0.001 0.000 1.029 569 A HN 0.854 nan 8.150 nan 0.000 0.489 570 R N 2.028 122.529 120.500 0.002 0.000 2.234 570 R HA 0.478 4.819 4.340 0.001 0.000 0.324 570 R C -1.365 174.955 176.300 0.033 0.000 1.054 570 R CA -0.188 55.921 56.100 0.015 0.000 0.912 570 R CB 0.479 30.794 30.300 0.025 0.000 1.030 570 R HN 0.449 nan 8.270 nan 0.000 0.455 571 V N 6.347 126.279 119.914 0.029 0.000 2.435 571 V HA 0.368 4.488 4.120 0.001 0.000 0.290 571 V C -0.166 175.959 176.094 0.052 0.000 1.030 571 V CA -0.711 61.612 62.300 0.037 0.000 0.881 571 V CB 1.486 33.323 31.823 0.023 0.000 0.983 571 V HN 0.655 nan 8.190 nan 0.000 0.445 572 V N 4.070 124.033 119.914 0.080 0.000 2.628 572 V HA 0.791 4.912 4.120 0.001 0.000 0.306 572 V C -0.722 175.422 176.094 0.083 0.000 1.045 572 V CA -0.669 61.684 62.300 0.088 0.000 0.905 572 V CB 1.757 33.661 31.823 0.134 0.000 0.997 572 V HN 0.665 nan 8.190 nan 0.000 0.436 573 L N 3.687 124.950 121.223 0.067 0.000 2.309 573 L HA 0.970 5.311 4.340 0.001 0.000 0.261 573 L C -0.881 176.029 176.870 0.068 0.000 1.021 573 L CA -1.029 53.848 54.840 0.061 0.000 0.823 573 L CB 2.416 44.501 42.059 0.044 0.000 1.366 573 L HN 0.676 nan 8.230 nan 0.000 0.423 574 V N -0.928 119.029 119.914 0.071 0.000 3.087 574 V HA 0.852 4.972 4.120 0.001 0.000 0.306 574 V C -0.706 175.427 176.094 0.066 0.000 1.187 574 V CA -0.843 61.500 62.300 0.071 0.000 0.999 574 V CB 1.705 33.584 31.823 0.094 0.000 1.049 574 V HN 0.833 nan 8.190 nan 0.000 0.431 575 A N 2.022 124.874 122.820 0.052 0.000 2.331 575 A HA 0.927 5.248 4.320 0.001 0.000 0.320 575 A C -0.844 176.758 177.584 0.029 0.000 1.138 575 A CA -0.650 51.415 52.037 0.047 0.000 0.790 575 A CB 1.530 20.549 19.000 0.033 0.000 1.206 575 A HN 1.099 nan 8.150 nan 0.000 0.470 576 V N 2.263 122.191 119.914 0.024 0.000 2.656 576 V HA 0.300 4.420 4.120 0.001 0.000 0.307 576 V C -0.334 175.674 176.094 -0.145 0.000 1.051 576 V CA -0.915 61.338 62.300 -0.078 0.000 0.893 576 V CB 1.847 33.604 31.823 -0.110 0.000 0.999 576 V HN 0.949 nan 8.190 nan 0.000 0.426 577 D N 3.072 123.363 120.400 -0.183 0.000 2.417 577 D HA 0.078 4.718 4.640 0.001 0.000 0.250 577 D C 1.007 177.117 176.300 -0.318 0.000 1.166 577 D CA 0.174 54.075 54.000 -0.165 0.000 0.881 577 D CB 1.192 41.926 40.800 -0.110 0.000 1.164 577 D HN 0.523 nan 8.370 nan 0.000 0.467 578 K N 2.191 122.487 120.400 -0.174 0.000 2.362 578 K HA -0.064 4.256 4.320 0.001 0.000 0.200 578 K C 1.793 178.298 176.600 -0.158 0.000 1.046 578 K CA 0.729 56.935 56.287 -0.135 0.000 0.952 578 K CB 0.069 32.618 32.500 0.082 0.000 0.753 578 K HN 0.530 nan 8.250 nan 0.000 0.466 579 G N 0.798 109.511 108.800 -0.145 0.000 2.470 579 G HA2 -0.182 3.779 3.960 0.001 0.000 0.220 579 G HA3 -0.182 3.779 3.960 0.001 0.000 0.220 579 G C 1.453 176.232 174.900 -0.201 0.000 1.121 579 G CA 0.351 45.376 45.100 -0.125 0.000 0.766 579 G HN 0.085 nan 8.290 nan 0.000 0.553 580 V N 0.444 120.152 119.914 -0.342 0.000 2.407 580 V HA -0.119 4.001 4.120 0.001 0.000 0.248 580 V C 2.366 178.265 176.094 -0.325 0.000 1.055 580 V CA 1.349 63.395 62.300 -0.424 0.000 1.049 580 V CB -0.563 30.901 31.823 -0.599 0.000 0.662 580 V HN 0.334 nan 8.190 nan 0.000 0.455 581 F N -0.654 119.238 119.950 -0.098 0.000 2.558 581 F HA 0.046 4.573 4.527 0.001 0.000 0.298 581 F C 2.177 177.919 175.800 -0.097 0.000 1.119 581 F CA 0.039 57.986 58.000 -0.087 0.000 1.451 581 F CB -1.241 37.727 39.000 -0.054 0.000 1.091 581 F HN -0.045 nan 8.300 nan 0.000 0.563 582 V N 0.214 120.142 119.914 0.023 0.000 2.490 582 V HA -0.259 3.862 4.120 0.001 0.000 0.250 582 V C 2.258 178.301 176.094 -0.086 0.000 1.061 582 V CA 1.580 63.851 62.300 -0.049 0.000 1.064 582 V CB -0.612 31.142 31.823 -0.116 0.000 0.670 582 V HN 0.311 nan 8.190 nan 0.000 0.461 583 L N -0.630 120.517 121.223 -0.128 0.000 2.202 583 L HA 0.179 4.519 4.340 0.001 0.000 0.205 583 L C 0.918 177.717 176.870 -0.118 0.000 1.083 583 L CA 0.745 55.478 54.840 -0.177 0.000 0.790 583 L CB 0.067 41.914 42.059 -0.354 0.000 0.942 583 L HN 0.386 nan 8.230 nan 0.000 0.452 584 N N 0.172 118.838 118.700 -0.055 0.000 2.648 584 N HA 0.067 4.807 4.740 0.001 0.000 0.272 584 N C -0.834 174.738 175.510 0.103 0.000 1.118 584 N CA -0.221 52.831 53.050 0.003 0.000 0.973 584 N CB 1.328 39.801 38.487 -0.024 0.000 1.565 584 N HN 0.114 nan 8.380 nan 0.000 0.542 585 K N 1.547 121.983 120.400 0.059 0.000 2.537 585 K HA 0.305 4.625 4.320 0.001 0.000 0.206 585 K C -0.318 176.266 176.600 -0.028 0.000 1.041 585 K CA -0.410 55.882 56.287 0.010 0.000 1.090 585 K CB 0.516 32.982 32.500 -0.057 0.000 0.833 585 K HN 0.226 nan 8.250 nan 0.000 0.493 586 K N 1.203 121.614 120.400 0.017 0.000 2.126 586 K HA 0.206 4.526 4.320 0.001 0.000 0.257 586 K C -0.375 176.254 176.600 0.049 0.000 1.007 586 K CA -0.393 55.908 56.287 0.024 0.000 0.928 586 K CB 0.446 32.967 32.500 0.035 0.000 1.013 586 K HN 0.196 nan 8.250 nan 0.000 0.473 587 N N -0.157 118.573 118.700 0.050 0.000 2.925 587 N HA -0.175 4.566 4.740 0.001 0.000 0.244 587 N C -1.267 174.290 175.510 0.078 0.000 1.000 587 N CA 0.645 53.745 53.050 0.082 0.000 0.895 587 N CB -0.968 37.595 38.487 0.127 0.000 1.119 587 N HN 0.462 nan 8.380 nan 0.000 0.569 588 K N 0.850 121.265 120.400 0.025 0.000 2.401 588 K HA 0.213 4.533 4.320 0.001 0.000 0.278 588 K C -0.025 176.579 176.600 0.006 0.000 1.018 588 K CA -0.508 55.780 56.287 0.002 0.000 0.981 588 K CB 0.625 33.065 32.500 -0.100 0.000 0.933 588 K HN 0.074 nan 8.250 nan 0.000 0.477 589 L N 3.792 125.027 121.223 0.021 0.000 2.418 589 L HA 0.084 4.425 4.340 0.001 0.000 0.274 589 L C -0.097 176.724 176.870 -0.081 0.000 1.135 589 L CA 0.912 55.744 54.840 -0.014 0.000 0.870 589 L CB 0.166 42.225 42.059 0.001 0.000 1.154 589 L HN 0.805 nan 8.230 nan 0.000 0.462 590 T N 0.759 115.247 114.554 -0.110 0.000 2.901 590 T HA 0.322 4.673 4.350 0.001 0.000 0.293 590 T C 0.444 175.018 174.700 -0.210 0.000 1.084 590 T CA -0.553 61.467 62.100 -0.133 0.000 1.008 590 T CB 1.441 70.260 68.868 -0.081 0.000 1.170 590 T HN 0.495 nan 8.240 nan 0.000 0.509 591 Q N 0.922 120.602 119.800 -0.200 0.000 2.119 591 Q HA -0.032 4.309 4.340 0.001 0.000 0.201 591 Q C 2.206 178.090 176.000 -0.193 0.000 0.972 591 Q CA 2.254 57.894 55.803 -0.272 0.000 0.847 591 Q CB -0.727 27.924 28.738 -0.146 0.000 0.903 591 Q HN 0.816 nan 8.270 nan 0.000 0.433 592 S N -0.044 115.634 115.700 -0.035 0.000 2.423 592 S HA -0.064 4.407 4.470 0.001 0.000 0.231 592 S C 1.558 176.171 174.600 0.023 0.000 1.014 592 S CA 0.916 59.154 58.200 0.063 0.000 0.965 592 S CB -0.123 63.113 63.200 0.061 0.000 0.785 592 S HN 0.334 nan 8.310 nan 0.000 0.495 593 K N 0.754 121.123 120.400 -0.051 0.000 2.296 593 K HA 0.213 4.534 4.320 0.001 0.000 0.200 593 K C 1.796 178.352 176.600 -0.072 0.000 1.048 593 K CA 0.575 56.849 56.287 -0.021 0.000 0.966 593 K CB -0.203 32.293 32.500 -0.007 0.000 0.754 593 K HN 0.385 nan 8.250 nan 0.000 0.466 594 I N -0.615 119.756 120.570 -0.331 0.000 2.233 594 I HA -0.217 3.954 4.170 0.001 0.000 0.243 594 I C 1.795 177.691 176.117 -0.367 0.000 1.093 594 I CA 1.303 62.213 61.300 -0.651 0.000 1.380 594 I CB -0.166 37.120 38.000 -1.190 0.000 1.067 594 I HN 0.256 nan 8.210 nan 0.000 0.413 595 W N 1.116 122.335 121.300 -0.136 0.000 2.465 595 W HA -0.206 4.455 4.660 0.001 0.000 0.268 595 W C 2.178 178.689 176.519 -0.012 0.000 1.242 595 W CA 0.693 58.001 57.345 -0.063 0.000 1.248 595 W CB -0.257 29.176 29.460 -0.045 0.000 1.118 595 W HN 0.229 nan 8.180 nan 0.000 0.587 596 D N -0.115 120.405 120.400 0.199 0.000 2.123 596 D HA -0.169 4.471 4.640 0.001 0.000 0.200 596 D C 2.000 178.392 176.300 0.154 0.000 0.976 596 D CA 1.383 55.480 54.000 0.161 0.000 0.831 596 D CB -0.193 40.680 40.800 0.122 0.000 0.974 596 D HN -0.101 nan 8.370 nan 0.000 0.469 597 V N 0.026 120.023 119.914 0.138 0.000 2.287 597 V HA -0.248 3.873 4.120 0.001 0.000 0.248 597 V C 2.627 178.768 176.094 0.079 0.000 1.053 597 V CA 1.492 63.875 62.300 0.138 0.000 1.027 597 V CB -0.470 31.475 31.823 0.204 0.000 0.646 597 V HN 0.181 nan 8.190 nan 0.000 0.447 598 V N -0.071 119.839 119.914 -0.007 0.000 2.231 598 V HA -0.323 3.797 4.120 0.001 0.000 0.250 598 V C 2.621 178.860 176.094 0.241 0.000 1.058 598 V CA 2.463 64.823 62.300 0.099 0.000 1.022 598 V CB -0.731 31.263 31.823 0.284 0.000 0.640 598 V HN 0.618 nan 8.190 nan 0.000 0.445 599 E N 0.065 120.407 120.200 0.238 0.000 2.204 599 E HA -0.225 4.126 4.350 0.001 0.000 0.195 599 E C 2.126 178.839 176.600 0.189 0.000 0.990 599 E CA 0.987 57.522 56.400 0.224 0.000 0.821 599 E CB -0.054 29.779 29.700 0.222 0.000 0.750 599 E HN 0.482 nan 8.360 nan 0.000 0.477 600 K N -0.338 120.169 120.400 0.180 0.000 2.288 600 K HA -0.007 4.313 4.320 0.001 0.000 0.201 600 K C 1.560 178.254 176.600 0.156 0.000 1.048 600 K CA 0.828 57.207 56.287 0.154 0.000 0.956 600 K CB 0.084 32.675 32.500 0.150 0.000 0.746 600 K HN 0.069 nan 8.250 nan 0.000 0.461 601 A N 1.211 124.156 122.820 0.208 0.000 2.345 601 A HA 0.037 4.357 4.320 0.001 0.000 0.225 601 A C -0.190 177.482 177.584 0.148 0.000 1.243 601 A CA -0.282 51.886 52.037 0.217 0.000 0.875 601 A CB -0.003 19.232 19.000 0.391 0.000 0.929 601 A HN 0.042 nan 8.150 nan 0.000 0.502 602 D N 0.325 120.797 120.400 0.120 0.000 2.506 602 D HA 0.022 4.663 4.640 0.001 0.000 0.234 602 D C 1.400 177.709 176.300 0.015 0.000 1.143 602 D CA 0.499 54.536 54.000 0.061 0.000 0.871 602 D CB 0.572 41.379 40.800 0.012 0.000 1.190 602 D HN 0.512 nan 8.370 nan 0.000 0.459 603 I N -0.724 119.846 120.570 -0.001 0.000 3.860 603 I HA 0.287 4.457 4.170 0.001 0.000 0.319 603 I C 0.968 177.066 176.117 -0.031 0.000 1.279 603 I CA -0.265 61.026 61.300 -0.014 0.000 1.220 603 I CB 0.245 38.236 38.000 -0.014 0.000 1.027 603 I HN 0.157 nan 8.210 nan 0.000 0.428 604 G N 0.116 108.879 108.800 -0.061 0.000 2.467 604 G HA2 0.340 4.301 3.960 0.001 0.000 0.257 604 G HA3 0.340 4.301 3.960 0.001 0.000 0.257 604 G C 0.128 174.920 174.900 -0.180 0.000 1.227 604 G CA -0.312 44.716 45.100 -0.121 0.000 0.835 604 G HN 0.416 nan 8.290 nan 0.000 0.556 605 c N 0.214 118.710 118.600 -0.173 0.000 3.270 605 c HA 0.382 4.953 4.570 0.001 0.000 0.369 605 c C 1.403 175.378 174.090 -0.193 0.000 1.326 605 c CA 0.639 56.877 56.329 -0.151 0.000 1.846 605 c CB -0.642 41.831 42.510 -0.061 0.000 2.534 605 c HN 0.949 nan 8.230 nan 0.000 0.649 606 T N -1.853 112.570 114.554 -0.219 0.000 2.907 606 T HA 0.472 4.822 4.350 0.001 0.000 0.290 606 T C -2.680 171.884 174.700 -0.228 0.000 1.066 606 T CA -1.188 60.828 62.100 -0.140 0.000 1.012 606 T CB 1.682 70.566 68.868 0.027 0.000 1.184 606 T HN -0.181 nan 8.240 nan 0.000 0.522 607 P HA 0.374 nan 4.420 nan 0.000 0.249 607 P C 0.651 178.062 177.300 0.185 0.000 1.229 607 P CA 0.545 63.797 63.100 0.253 0.000 0.788 607 P CB -0.233 31.713 31.700 0.411 0.000 1.072 608 G N -2.010 106.855 108.800 0.109 0.000 2.359 608 G HA2 0.251 4.211 3.960 0.001 0.000 0.303 608 G HA3 0.251 4.211 3.960 0.001 0.000 0.303 608 G C -0.411 174.570 174.900 0.135 0.000 1.293 608 G CA -0.197 44.955 45.100 0.087 0.000 0.964 608 G HN 0.120 nan 8.290 nan 0.000 0.531 609 S N -2.357 113.394 115.700 0.085 0.000 2.924 609 S HA 0.366 4.837 4.470 0.001 0.000 0.634 609 S C 0.944 175.559 174.600 0.026 0.000 3.063 609 S CA 2.116 60.378 58.200 0.103 0.000 3.276 609 S CB -0.844 62.497 63.200 0.234 0.000 0.332 609 S HN 2.911 nan 8.310 nan 0.000 1.789 610 G N -0.553 108.181 108.800 -0.110 0.000 2.488 610 G HA2 0.482 4.443 3.960 0.001 0.000 0.301 610 G HA3 0.482 4.443 3.960 0.001 0.000 0.301 610 G C -0.121 174.199 174.900 -0.966 0.000 1.339 610 G CA 0.307 45.011 45.100 -0.660 0.000 0.803 610 G HN 0.682 nan 8.290 nan 0.000 0.482 611 K N -0.659 119.101 120.400 -1.066 0.000 2.097 611 K HA -0.027 4.294 4.320 0.001 0.000 0.206 611 K C 0.321 176.592 176.600 -0.548 0.000 1.049 611 K CA 2.268 58.175 56.287 -0.632 0.000 0.933 611 K CB -0.048 32.248 32.500 -0.341 0.000 0.717 611 K HN 0.669 nan 8.250 nan 0.000 0.442 612 D N -3.458 116.599 120.400 -0.571 0.000 2.838 612 D HA -0.053 4.588 4.640 0.001 0.000 0.334 612 D C 0.753 176.836 176.300 -0.363 0.000 1.315 612 D CA -0.578 52.971 54.000 -0.753 0.000 0.917 612 D CB -0.331 40.146 40.800 -0.538 0.000 1.435 612 D HN -0.035 nan 8.370 nan 0.000 0.517 613 Y N -0.550 119.656 120.300 -0.157 0.000 2.193 613 Y HA 0.002 4.553 4.550 0.001 0.000 0.285 613 Y C 2.109 178.059 175.900 0.083 0.000 1.166 613 Y CA 1.933 60.060 58.100 0.045 0.000 1.181 613 Y CB -1.111 37.361 38.460 0.020 0.000 0.976 613 Y HN 0.415 nan 8.280 nan 0.000 0.520 614 A N 1.345 123.634 122.820 -0.885 0.000 1.877 614 A HA -0.015 4.306 4.320 0.001 0.000 0.216 614 A C 2.517 180.004 177.584 -0.162 0.000 1.186 614 A CA 1.724 53.458 52.037 -0.505 0.000 0.620 614 A CB -1.649 16.969 19.000 -0.637 0.000 0.822 614 A HN 0.639 nan 8.150 nan 0.000 0.443 615 G N -0.702 107.961 108.800 -0.228 0.000 2.422 615 G HA2 -0.029 3.931 3.960 0.001 0.000 0.218 615 G HA3 -0.029 3.931 3.960 0.001 0.000 0.218 615 G C 1.479 176.308 174.900 -0.118 0.000 1.140 615 G CA 1.076 46.074 45.100 -0.170 0.000 0.775 615 G HN 0.289 nan 8.290 nan 0.000 0.545 616 V N 0.506 120.354 119.914 -0.110 0.000 2.231 616 V HA -0.201 3.919 4.120 0.001 0.000 0.248 616 V C 2.484 178.527 176.094 -0.086 0.000 1.054 616 V CA 1.949 64.184 62.300 -0.107 0.000 1.015 616 V CB -0.691 31.049 31.823 -0.138 0.000 0.638 616 V HN 0.332 nan 8.190 nan 0.000 0.444 617 F N 0.234 120.166 119.950 -0.029 0.000 2.102 617 F HA -0.190 4.337 4.527 0.001 0.000 0.298 617 F C 2.877 178.679 175.800 0.003 0.000 1.105 617 F CA 2.000 60.003 58.000 0.006 0.000 1.239 617 F CB -0.839 38.172 39.000 0.017 0.000 0.991 617 F HN 0.086 nan 8.300 nan 0.000 0.474 618 S N -0.250 115.556 115.700 0.177 0.000 2.356 618 S HA -0.193 4.278 4.470 0.001 0.000 0.223 618 S C 1.826 176.450 174.600 0.041 0.000 1.032 618 S CA 1.737 59.990 58.200 0.087 0.000 1.005 618 S CB -0.437 62.783 63.200 0.034 0.000 0.867 618 S HN 0.272 nan 8.310 nan 0.000 0.449 619 D N 1.173 121.578 120.400 0.010 0.000 2.178 619 D HA 0.037 4.677 4.640 0.001 0.000 0.201 619 D C 1.779 178.062 176.300 -0.029 0.000 0.980 619 D CA 1.196 55.189 54.000 -0.012 0.000 0.842 619 D CB -0.350 40.440 40.800 -0.017 0.000 0.948 619 D HN 0.487 nan 8.370 nan 0.000 0.472 620 A N -0.709 122.107 122.820 -0.007 0.000 2.251 620 A HA 0.459 4.779 4.320 0.001 0.000 0.209 620 A C 1.552 179.146 177.584 0.018 0.000 1.187 620 A CA 0.882 52.910 52.037 -0.015 0.000 0.823 620 A CB 0.003 19.006 19.000 0.006 0.000 0.846 620 A HN 0.224 nan 8.150 nan 0.000 0.486 621 G N -1.215 107.608 108.800 0.038 0.000 2.141 621 G HA2 -0.131 3.829 3.960 0.001 0.000 0.195 621 G HA3 -0.131 3.829 3.960 0.001 0.000 0.195 621 G C -0.260 174.690 174.900 0.084 0.000 1.012 621 G CA 0.089 45.215 45.100 0.043 0.000 0.696 621 G HN 0.414 nan 8.290 nan 0.000 0.508 622 L N 0.854 122.157 121.223 0.135 0.000 2.370 622 L HA 0.761 5.101 4.340 0.001 0.000 0.266 622 L C 0.874 177.839 176.870 0.158 0.000 1.002 622 L CA -0.645 54.305 54.840 0.183 0.000 0.818 622 L CB 2.294 44.549 42.059 0.325 0.000 1.325 622 L HN 0.332 nan 8.230 nan 0.000 0.418 623 T N -1.202 113.417 114.554 0.108 0.000 2.922 623 T HA 0.594 4.944 4.350 0.001 0.000 0.285 623 T C -0.818 173.875 174.700 -0.013 0.000 1.005 623 T CA -0.429 61.702 62.100 0.050 0.000 1.061 623 T CB 1.548 70.431 68.868 0.025 0.000 1.007 623 T HN 0.329 nan 8.240 nan 0.000 0.502 624 F N 1.282 121.045 119.950 -0.312 0.000 2.547 624 F HA 0.614 5.142 4.527 0.001 0.000 0.316 624 F C -0.975 174.675 175.800 -0.250 0.000 1.121 624 F CA -0.307 57.396 58.000 -0.495 0.000 0.911 624 F CB 2.129 40.431 39.000 -1.164 0.000 1.179 624 F HN 0.825 nan 8.300 nan 0.000 0.443 625 T N 3.725 117.795 114.554 -0.808 0.000 2.971 625 T HA 0.551 4.901 4.350 0.001 0.000 0.304 625 T C -0.942 173.335 174.700 -0.705 0.000 1.038 625 T CA -0.825 60.940 62.100 -0.559 0.000 1.007 625 T CB 1.516 70.241 68.868 -0.237 0.000 1.055 625 T HN 0.683 nan 8.240 nan 0.000 0.451 626 S N 0.619 116.018 115.700 -0.501 0.000 2.677 626 S HA 0.597 5.068 4.470 0.001 0.000 0.304 626 S C 1.281 175.800 174.600 -0.135 0.000 1.108 626 S CA -0.159 57.846 58.200 -0.325 0.000 0.944 626 S CB 1.619 64.677 63.200 -0.235 0.000 1.127 626 S HN 0.688 nan 8.310 nan 0.000 0.511 627 S N 0.500 116.149 115.700 -0.086 0.000 2.522 627 S HA -0.001 4.470 4.470 0.001 0.000 0.227 627 S C 1.241 175.831 174.600 -0.017 0.000 0.986 627 S CA 0.597 58.786 58.200 -0.018 0.000 0.929 627 S CB -0.738 62.496 63.200 0.056 0.000 0.769 627 S HN 1.114 nan 8.310 nan 0.000 0.529 628 S N -0.115 115.564 115.700 -0.035 0.000 2.575 628 S HA 0.589 5.060 4.470 0.001 0.000 0.237 628 S C 1.220 175.814 174.600 -0.011 0.000 0.975 628 S CA -0.004 58.182 58.200 -0.024 0.000 0.960 628 S CB -0.063 63.115 63.200 -0.037 0.000 0.822 628 S HN 1.243 nan 8.310 nan 0.000 0.472 629 G N 0.696 109.490 108.800 -0.011 0.000 2.132 629 G HA2 -0.227 3.734 3.960 0.001 0.000 0.234 629 G HA3 -0.227 3.734 3.960 0.001 0.000 0.234 629 G C -0.292 174.635 174.900 0.045 0.000 0.989 629 G CA -0.360 44.744 45.100 0.006 0.000 0.676 629 G HN 0.540 nan 8.290 nan 0.000 0.522 630 Q N 0.533 120.376 119.800 0.073 0.000 2.279 630 Q HA 0.610 4.951 4.340 0.001 0.000 0.256 630 Q C 0.382 176.531 176.000 0.249 0.000 0.937 630 Q CA 0.277 56.211 55.803 0.218 0.000 0.933 630 Q CB 0.950 29.831 28.738 0.237 0.000 1.189 630 Q HN 0.806 nan 8.270 nan 0.000 0.417 631 Q N -0.355 119.615 119.800 0.282 0.000 2.472 631 Q HA 0.549 4.889 4.340 0.001 0.000 0.281 631 Q C -1.066 174.996 176.000 0.105 0.000 0.997 631 Q CA -1.078 54.834 55.803 0.181 0.000 0.828 631 Q CB 0.788 29.539 28.738 0.021 0.000 1.443 631 Q HN 0.548 nan 8.270 nan 0.000 0.390 632 T N -0.609 113.986 114.554 0.069 0.000 2.932 632 T HA 0.506 4.856 4.350 0.001 0.000 0.312 632 T C 0.599 175.285 174.700 -0.024 0.000 1.071 632 T CA -0.058 62.041 62.100 -0.003 0.000 1.128 632 T CB 0.689 69.575 68.868 0.031 0.000 0.984 632 T HN 0.742 nan 8.240 nan 0.000 0.549 633 A N 2.997 125.791 122.820 -0.044 0.000 2.386 633 A HA 0.331 4.652 4.320 0.001 0.000 0.248 633 A C 0.776 178.345 177.584 -0.024 0.000 1.082 633 A CA -0.785 51.229 52.037 -0.039 0.000 0.789 633 A CB 0.022 18.994 19.000 -0.046 0.000 1.025 633 A HN 0.831 nan 8.150 nan 0.000 0.490 634 Q N 0.772 120.552 119.800 -0.033 0.000 2.300 634 Q HA 0.051 4.392 4.340 0.001 0.000 0.280 634 Q C 0.101 176.111 176.000 0.016 0.000 1.033 634 Q CA 0.372 56.158 55.803 -0.028 0.000 0.903 634 Q CB 0.478 29.165 28.738 -0.084 0.000 1.195 634 Q HN 0.649 nan 8.270 nan 0.000 0.386 635 R N 1.545 122.077 120.500 0.053 0.000 2.196 635 R HA 0.381 4.721 4.340 0.001 0.000 0.340 635 R C 0.212 176.610 176.300 0.164 0.000 1.043 635 R CA 0.174 56.322 56.100 0.079 0.000 0.883 635 R CB 0.412 30.749 30.300 0.061 0.000 1.078 635 R HN 0.701 nan 8.270 nan 0.000 0.462 636 A N 4.035 126.948 122.820 0.156 0.000 2.140 636 A HA 0.128 4.449 4.320 0.001 0.000 0.209 636 A C -0.168 177.490 177.584 0.122 0.000 1.181 636 A CA 0.155 52.342 52.037 0.250 0.000 0.824 636 A CB 0.225 19.352 19.000 0.211 0.000 0.879 636 A HN 0.708 nan 8.150 nan 0.000 0.480 637 E N -0.252 119.987 120.200 0.066 0.000 2.227 637 E HA 0.492 4.843 4.350 0.001 0.000 0.282 637 E C 0.299 176.899 176.600 0.001 0.000 1.015 637 E CA -0.226 56.190 56.400 0.028 0.000 0.823 637 E CB 1.301 31.017 29.700 0.028 0.000 1.081 637 E HN 0.251 nan 8.360 nan 0.000 0.396 638 L N 1.347 122.559 121.223 -0.018 0.000 2.418 638 L HA -0.019 4.321 4.340 0.001 0.000 0.218 638 L C 0.642 177.503 176.870 -0.014 0.000 1.125 638 L CA 0.635 55.456 54.840 -0.031 0.000 0.835 638 L CB -0.070 41.962 42.059 -0.045 0.000 0.953 638 L HN 0.451 nan 8.230 nan 0.000 0.454 639 Q N -1.476 118.322 119.800 -0.003 0.000 2.486 639 Q HA 0.316 4.657 4.340 0.001 0.000 0.274 639 Q C -0.706 175.298 176.000 0.007 0.000 1.076 639 Q CA -0.737 55.069 55.803 0.005 0.000 0.872 639 Q CB 1.672 30.415 28.738 0.009 0.000 1.383 639 Q HN -0.028 nan 8.270 nan 0.000 0.478 640 c N 2.057 120.662 118.600 0.008 0.000 2.605 640 c HA 0.299 4.870 4.570 0.001 0.000 0.404 640 c C -1.822 172.277 174.090 0.014 0.000 1.284 640 c CA -0.582 55.750 56.329 0.006 0.000 2.199 640 c CB -0.572 41.937 42.510 -0.002 0.000 2.647 640 c HN 0.559 nan 8.230 nan 0.000 0.604 641 P HA 0.070 nan 4.420 nan 0.000 0.261 641 P C -0.576 176.740 177.300 0.026 0.000 1.173 641 P CA 0.402 63.515 63.100 0.023 0.000 0.760 641 P CB 0.310 32.026 31.700 0.027 0.000 0.783 642 Q N 3.365 123.181 119.800 0.027 0.000 2.395 642 Q HA 0.202 4.543 4.340 0.001 0.000 0.271 642 Q C -1.290 174.731 176.000 0.035 0.000 1.026 642 Q CA -0.381 55.440 55.803 0.030 0.000 0.900 642 Q CB -0.769 27.985 28.738 0.027 0.000 1.266 642 Q HN 0.439 nan 8.270 nan 0.000 0.430 643 P HA 0.000 nan 4.420 nan 0.000 0.216 643 P CA 0.000 63.129 63.100 0.047 0.000 0.800 643 P CB 0.000 31.734 31.700 0.057 0.000 0.726