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 3eya_1_H DATA FIRST_RESID 1 DATA SEQUENCE MKQTVAAYIA KTLESAGVKR IWGVTGDSLN GLSDSLNRMG TIEWMSTRHE DATA SEQUENCE EVAAFAAGAE AQLSGELAVC AGSCGPGNLH LINGLFDCHR NHVPVLAIAA DATA SEQUENCE HIPSSEIGSG YFQETHPQEL FRECSHYCEL VSSPEQIPQV LAIAMRKAVL DATA SEQUENCE NRGVSVVVLP GDVALKPAPE GATMHWYHAP QPVVTPEEEE LRKLAQLLRY DATA SEQUENCE SSNIALMCGS GCAGAHKELV EFAGKIKAPI VHALRGKEHV EYDNPYDVGM DATA SEQUENCE TGLIGFSSGF HTMMNADTLV LLGTQFPYRA FYPTDAKIIQ IDINPASIGA DATA SEQUENCE HSKVDMALVG DIKSTLRALL PLVEEKADRK FLDKALEDYR DARKGLDDLA DATA SEQUENCE KPSEKAIHPQ YLAQQISHFA ADDAIFTCDV GTPTVWAARY LKMNGKRRLL DATA SEQUENCE GSFNHGSMAN AMPQALGAQA TEPERQVVAM CGDGGFSMLM GDFLSVVQMK DATA SEQUENCE LPVKIVVFNN SVLGXXXXXX XXXXXXXXGT ELHDTNFARI AEACGITGIR DATA SEQUENCE VEKASEVDEA LQRAFSIDGP VLVDVVVAKE ELAIPP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.328 176.300 0.047 0.000 1.140 1 M CA 0.000 55.329 55.300 0.048 0.000 0.988 1 M CB 0.000 32.625 32.600 0.041 0.000 1.302 2 K N 1.884 122.304 120.400 0.034 0.000 2.285 2 K HA 0.491 4.812 4.320 0.001 0.000 0.286 2 K C -1.079 175.541 176.600 0.033 0.000 1.072 2 K CA -0.092 56.212 56.287 0.029 0.000 0.913 2 K CB 1.276 33.786 32.500 0.017 0.000 1.067 2 K HN 0.802 nan 8.250 nan 0.000 0.479 3 Q N 0.503 120.328 119.800 0.041 0.000 2.648 3 Q HA 0.314 4.655 4.340 0.001 0.000 0.300 3 Q C -0.951 175.079 176.000 0.049 0.000 0.954 3 Q CA -1.041 54.791 55.803 0.048 0.000 0.757 3 Q CB 0.896 29.677 28.738 0.072 0.000 1.482 3 Q HN 0.629 nan 8.270 nan 0.000 0.437 4 T N -1.885 112.698 114.554 0.049 0.000 2.860 4 T HA 0.191 4.542 4.350 0.001 0.000 0.299 4 T C 1.311 176.057 174.700 0.076 0.000 1.045 4 T CA -0.266 61.861 62.100 0.045 0.000 1.071 4 T CB 0.886 69.773 68.868 0.032 0.000 0.985 4 T HN 0.432 nan 8.240 nan 0.000 0.537 5 V N 2.071 122.021 119.914 0.060 0.000 2.324 5 V HA -0.206 3.915 4.120 0.001 0.000 0.250 5 V C 3.055 179.228 176.094 0.132 0.000 1.060 5 V CA 2.500 64.851 62.300 0.085 0.000 1.042 5 V CB -1.627 30.224 31.823 0.048 0.000 0.650 5 V HN 1.100 nan 8.190 nan 0.000 0.450 6 A N -0.298 122.571 122.820 0.083 0.000 1.933 6 A HA -0.097 4.224 4.320 0.001 0.000 0.218 6 A C 2.416 180.040 177.584 0.067 0.000 1.175 6 A CA 2.027 54.104 52.037 0.068 0.000 0.628 6 A CB -0.735 18.286 19.000 0.035 0.000 0.814 6 A HN 0.592 nan 8.150 nan 0.000 0.444 7 A N -1.458 121.404 122.820 0.070 0.000 1.933 7 A HA -0.109 4.212 4.320 0.001 0.000 0.218 7 A C 2.124 179.750 177.584 0.070 0.000 1.175 7 A CA 1.638 53.709 52.037 0.056 0.000 0.628 7 A CB -0.803 18.229 19.000 0.054 0.000 0.814 7 A HN 0.760 nan 8.150 nan 0.000 0.444 8 Y N 0.593 120.899 120.300 0.011 0.000 2.145 8 Y HA -0.202 4.348 4.550 0.001 0.000 0.286 8 Y C 1.967 177.873 175.900 0.010 0.000 1.145 8 Y CA 1.846 59.955 58.100 0.016 0.000 1.148 8 Y CB -0.272 38.200 38.460 0.021 0.000 0.981 8 Y HN 0.273 nan 8.280 nan 0.000 0.507 9 I N 0.228 120.821 120.570 0.037 0.000 2.163 9 I HA -0.359 3.812 4.170 0.001 0.000 0.243 9 I C 2.703 178.748 176.117 -0.119 0.000 1.085 9 I CA 1.365 62.635 61.300 -0.052 0.000 1.347 9 I CB -0.831 37.198 38.000 0.049 0.000 1.044 9 I HN 0.361 nan 8.210 nan 0.000 0.408 10 A N 0.377 123.159 122.820 -0.063 0.000 1.902 10 A HA -0.193 4.128 4.320 0.001 0.000 0.217 10 A C 2.347 179.873 177.584 -0.097 0.000 1.181 10 A CA 1.441 53.443 52.037 -0.058 0.000 0.623 10 A CB -0.374 18.614 19.000 -0.020 0.000 0.818 10 A HN 0.187 nan 8.150 nan 0.000 0.443 11 K N -0.541 119.788 120.400 -0.118 0.000 2.097 11 K HA -0.088 4.232 4.320 0.001 0.000 0.206 11 K C 2.087 178.581 176.600 -0.178 0.000 1.049 11 K CA 1.795 58.008 56.287 -0.122 0.000 0.933 11 K CB -0.739 31.700 32.500 -0.102 0.000 0.717 11 K HN 0.534 nan 8.250 nan 0.000 0.442 12 T N 2.143 116.520 114.554 -0.295 0.000 2.777 12 T HA -0.037 4.314 4.350 0.001 0.000 0.266 12 T C 2.021 176.561 174.700 -0.266 0.000 1.040 12 T CA 0.824 62.743 62.100 -0.302 0.000 1.141 12 T CB -0.108 68.498 68.868 -0.436 0.000 0.868 12 T HN 0.107 nan 8.240 nan 0.000 0.444 13 L N 0.845 121.922 121.223 -0.244 0.000 2.046 13 L HA -0.111 4.229 4.340 0.001 0.000 0.208 13 L C 2.808 179.574 176.870 -0.174 0.000 1.077 13 L CA 1.473 56.173 54.840 -0.232 0.000 0.747 13 L CB -0.578 41.386 42.059 -0.159 0.000 0.896 13 L HN 0.348 nan 8.230 nan 0.000 0.432 14 E N -0.116 120.011 120.200 -0.123 0.000 2.085 14 E HA -0.282 4.069 4.350 0.001 0.000 0.194 14 E C 2.330 178.888 176.600 -0.071 0.000 0.994 14 E CA 1.651 58.004 56.400 -0.078 0.000 0.801 14 E CB 0.009 29.675 29.700 -0.055 0.000 0.743 14 E HN 0.324 nan 8.360 nan 0.000 0.453 15 S N -0.519 115.125 115.700 -0.093 0.000 2.402 15 S HA -0.054 4.417 4.470 0.001 0.000 0.229 15 S C 1.829 176.388 174.600 -0.068 0.000 1.021 15 S CA 0.999 59.155 58.200 -0.074 0.000 0.974 15 S CB -0.147 62.999 63.200 -0.090 0.000 0.800 15 S HN 0.397 nan 8.310 nan 0.000 0.484 16 A N -0.220 122.485 122.820 -0.192 0.000 2.235 16 A HA 0.464 4.785 4.320 0.001 0.000 0.208 16 A C 1.659 179.254 177.584 0.019 0.000 1.172 16 A CA 0.922 52.769 52.037 -0.318 0.000 0.786 16 A CB -1.084 17.390 19.000 -0.877 0.000 0.804 16 A HN 1.368 nan 8.150 nan 0.000 0.479 17 G N -1.198 107.611 108.800 0.014 0.000 2.157 17 G HA2 -0.131 3.830 3.960 0.001 0.000 0.248 17 G HA3 -0.131 3.830 3.960 0.001 0.000 0.248 17 G C 0.492 175.388 174.900 -0.007 0.000 0.979 17 G CA 0.479 45.601 45.100 0.037 0.000 0.650 17 G HN 1.777 nan 8.290 nan 0.000 0.529 18 V N -0.252 119.632 119.914 -0.050 0.000 2.673 18 V HA 0.565 4.686 4.120 0.001 0.000 0.303 18 V C 1.202 177.277 176.094 -0.032 0.000 1.046 18 V CA 1.412 63.687 62.300 -0.043 0.000 1.126 18 V CB 1.140 32.925 31.823 -0.063 0.000 0.934 18 V HN 0.351 nan 8.190 nan 0.000 0.487 19 K N 5.040 125.425 120.400 -0.024 0.000 2.370 19 K HA 0.289 4.610 4.320 0.001 0.000 0.194 19 K C 0.385 176.945 176.600 -0.067 0.000 1.070 19 K CA 0.278 56.544 56.287 -0.034 0.000 0.998 19 K CB 0.374 32.861 32.500 -0.022 0.000 0.911 19 K HN 0.896 nan 8.250 nan 0.000 0.533 20 R N 0.158 120.607 120.500 -0.085 0.000 2.692 20 R HA 0.489 4.830 4.340 0.001 0.000 0.269 20 R C -1.405 174.780 176.300 -0.191 0.000 1.030 20 R CA -0.770 55.213 56.100 -0.196 0.000 0.882 20 R CB 1.016 31.094 30.300 -0.370 0.000 1.250 20 R HN -0.144 nan 8.270 nan 0.000 0.465 21 I N 1.135 121.543 120.570 -0.271 0.000 2.465 21 I HA 0.392 4.563 4.170 0.001 0.000 0.291 21 I C -1.098 174.661 176.117 -0.596 0.000 1.014 21 I CA -0.743 60.420 61.300 -0.228 0.000 1.093 21 I CB 1.682 39.677 38.000 -0.008 0.000 1.267 21 I HN 0.479 nan 8.210 nan 0.000 0.431 22 W N 4.994 126.044 121.300 -0.417 0.000 2.390 22 W HA 0.704 5.365 4.660 0.002 0.000 0.312 22 W C 0.605 176.771 176.519 -0.588 0.000 1.123 22 W CA 0.011 57.055 57.345 -0.501 0.000 1.202 22 W CB 1.609 30.916 29.460 -0.255 0.000 1.251 22 W HN 0.617 nan 8.180 nan 0.000 0.511 23 G N 0.227 108.689 108.800 -0.564 0.000 2.427 23 G HA2 0.519 4.480 3.960 0.001 0.000 0.306 23 G HA3 0.519 4.480 3.960 0.001 0.000 0.306 23 G C -2.166 172.761 174.900 0.044 0.000 1.280 23 G CA -0.815 44.153 45.100 -0.221 0.000 0.837 23 G HN 0.261 nan 8.290 nan 0.000 0.482 24 V N 1.099 121.203 119.914 0.318 0.000 2.588 24 V HA 0.627 4.747 4.120 0.001 0.000 0.304 24 V C 0.904 177.269 176.094 0.452 0.000 1.042 24 V CA -0.100 62.428 62.300 0.381 0.000 0.877 24 V CB 1.375 33.327 31.823 0.214 0.000 0.996 24 V HN 1.283 nan 8.190 nan 0.000 0.425 25 T N 1.389 116.160 114.554 0.361 0.000 2.652 25 T HA 0.688 5.038 4.350 0.001 0.000 0.319 25 T C 0.328 175.072 174.700 0.072 0.000 1.029 25 T CA 0.238 62.396 62.100 0.097 0.000 0.990 25 T CB 1.184 69.991 68.868 -0.101 0.000 1.098 25 T HN 1.515 nan 8.240 nan 0.000 0.520 26 G N -0.857 107.949 108.800 0.010 0.000 2.387 26 G HA2 0.400 4.361 3.960 0.001 0.000 0.294 26 G HA3 0.400 4.361 3.960 0.001 0.000 0.294 26 G C -0.430 174.470 174.900 -0.000 0.000 1.509 26 G CA -0.570 44.542 45.100 0.022 0.000 0.806 26 G HN 0.482 nan 8.290 nan 0.000 0.546 27 D N 0.195 120.606 120.400 0.019 0.000 2.182 27 D HA -0.095 4.546 4.640 0.001 0.000 0.201 27 D C 2.677 178.986 176.300 0.015 0.000 0.986 27 D CA 1.975 55.984 54.000 0.015 0.000 0.847 27 D CB 0.139 40.963 40.800 0.039 0.000 0.942 27 D HN 0.397 nan 8.370 nan 0.000 0.467 28 S N -0.614 115.104 115.700 0.030 0.000 2.555 28 S HA -0.012 4.459 4.470 0.001 0.000 0.230 28 S C 1.630 176.242 174.600 0.021 0.000 0.978 28 S CA 0.246 58.466 58.200 0.032 0.000 0.934 28 S CB -0.158 63.071 63.200 0.049 0.000 0.766 28 S HN 0.236 nan 8.310 nan 0.000 0.533 29 L N 0.967 122.190 121.223 -0.001 0.000 2.700 29 L HA 0.295 4.636 4.340 0.001 0.000 0.234 29 L C 1.456 178.281 176.870 -0.075 0.000 1.156 29 L CA -0.239 54.583 54.840 -0.030 0.000 0.946 29 L CB -0.268 41.763 42.059 -0.047 0.000 1.216 29 L HN 0.129 nan 8.230 nan 0.000 0.493 30 N N 1.139 119.805 118.700 -0.056 0.000 2.069 30 N HA -0.162 4.579 4.740 0.001 0.000 0.191 30 N C 1.949 177.422 175.510 -0.061 0.000 1.031 30 N CA 1.636 54.646 53.050 -0.067 0.000 0.852 30 N CB -0.398 38.064 38.487 -0.041 0.000 1.018 30 N HN 0.357 nan 8.380 nan 0.000 0.423 31 G N 1.129 109.908 108.800 -0.034 0.000 2.491 31 G HA2 -0.231 3.729 3.960 0.001 0.000 0.218 31 G HA3 -0.231 3.729 3.960 0.001 0.000 0.218 31 G C 1.589 176.471 174.900 -0.030 0.000 1.180 31 G CA 0.838 45.925 45.100 -0.021 0.000 0.774 31 G HN 0.284 nan 8.290 nan 0.000 0.562 32 L N 1.000 122.202 121.223 -0.035 0.000 2.017 32 L HA 0.007 4.348 4.340 0.001 0.000 0.208 32 L C 3.020 179.832 176.870 -0.096 0.000 1.073 32 L CA 2.428 57.246 54.840 -0.037 0.000 0.745 32 L CB -0.732 41.322 42.059 -0.008 0.000 0.894 32 L HN 0.188 nan 8.230 nan 0.000 0.432 33 S N -0.455 115.135 115.700 -0.183 0.000 2.359 33 S HA -0.264 4.207 4.470 0.001 0.000 0.224 33 S C 1.658 176.165 174.600 -0.155 0.000 1.035 33 S CA 1.533 59.576 58.200 -0.262 0.000 1.018 33 S CB -0.627 62.373 63.200 -0.334 0.000 0.876 33 S HN 0.742 nan 8.310 nan 0.000 0.448 34 D N 1.050 121.386 120.400 -0.107 0.000 2.117 34 D HA -0.081 4.560 4.640 0.001 0.000 0.197 34 D C 1.922 178.192 176.300 -0.050 0.000 0.987 34 D CA 1.685 55.643 54.000 -0.070 0.000 0.829 34 D CB -0.363 40.406 40.800 -0.052 0.000 0.961 34 D HN 0.253 nan 8.370 nan 0.000 0.460 35 S N -0.487 115.190 115.700 -0.039 0.000 2.368 35 S HA -0.070 4.401 4.470 0.001 0.000 0.225 35 S C 2.077 176.664 174.600 -0.022 0.000 1.030 35 S CA 0.806 58.994 58.200 -0.021 0.000 0.999 35 S CB -0.338 62.858 63.200 -0.007 0.000 0.844 35 S HN 0.328 nan 8.310 nan 0.000 0.459 36 L N 1.542 122.747 121.223 -0.031 0.000 2.046 36 L HA -0.140 4.200 4.340 0.001 0.000 0.208 36 L C 2.443 179.299 176.870 -0.024 0.000 1.077 36 L CA 1.256 56.086 54.840 -0.016 0.000 0.747 36 L CB -0.667 41.392 42.059 -0.001 0.000 0.896 36 L HN 0.312 nan 8.230 nan 0.000 0.432 37 N N 0.463 119.135 118.700 -0.046 0.000 2.120 37 N HA -0.174 4.566 4.740 0.001 0.000 0.188 37 N C 1.965 177.460 175.510 -0.026 0.000 1.024 37 N CA 1.396 54.422 53.050 -0.041 0.000 0.852 37 N CB 0.031 38.483 38.487 -0.059 0.000 1.003 37 N HN 0.112 nan 8.380 nan 0.000 0.424 38 R N -0.542 119.944 120.500 -0.023 0.000 2.092 38 R HA -0.030 4.310 4.340 0.001 0.000 0.231 38 R C 2.259 178.553 176.300 -0.009 0.000 1.119 38 R CA 1.245 57.336 56.100 -0.014 0.000 0.970 38 R CB -0.256 30.037 30.300 -0.011 0.000 0.864 38 R HN 0.370 nan 8.270 nan 0.000 0.440 39 M N -0.617 118.978 119.600 -0.010 0.000 2.156 39 M HA -0.012 4.468 4.480 0.001 0.000 0.264 39 M C 0.948 177.244 176.300 -0.006 0.000 1.067 39 M CA 1.684 56.980 55.300 -0.007 0.000 1.131 39 M CB 0.132 32.727 32.600 -0.008 0.000 1.368 39 M HN 0.443 nan 8.290 nan 0.000 0.416 40 G N 0.062 108.858 108.800 -0.007 0.000 2.225 40 G HA2 -0.307 3.654 3.960 0.001 0.000 0.267 40 G HA3 -0.307 3.654 3.960 0.001 0.000 0.267 40 G C 0.495 175.391 174.900 -0.006 0.000 1.024 40 G CA 0.915 46.011 45.100 -0.006 0.000 0.784 40 G HN 0.571 nan 8.290 nan 0.000 0.507 41 T N -2.883 111.667 114.554 -0.007 0.000 3.125 41 T HA 0.439 4.789 4.350 0.001 0.000 0.252 41 T C 1.256 175.947 174.700 -0.015 0.000 0.981 41 T CA 0.317 62.410 62.100 -0.010 0.000 1.069 41 T CB 0.377 69.238 68.868 -0.010 0.000 1.091 41 T HN 0.360 nan 8.240 nan 0.000 0.460 42 I N 2.734 123.297 120.570 -0.012 0.000 2.496 42 I HA 0.278 4.448 4.170 0.001 0.000 0.285 42 I C 0.301 176.416 176.117 -0.004 0.000 1.080 42 I CA -0.379 60.912 61.300 -0.015 0.000 1.404 42 I CB 1.008 39.004 38.000 -0.006 0.000 1.403 42 I HN 0.406 nan 8.210 nan 0.000 0.539 43 E N 7.221 127.396 120.200 -0.041 0.000 2.227 43 E HA 0.073 4.423 4.350 0.001 0.000 0.282 43 E C -1.117 175.452 176.600 -0.052 0.000 1.015 43 E CA -0.728 55.645 56.400 -0.045 0.000 0.823 43 E CB 1.086 30.723 29.700 -0.103 0.000 1.081 43 E HN 0.564 nan 8.360 nan 0.000 0.396 44 W N 7.670 128.872 121.300 -0.164 0.000 2.335 44 W HA 0.200 4.861 4.660 0.001 0.000 0.306 44 W C -1.331 175.047 176.519 -0.234 0.000 1.216 44 W CA -0.817 56.425 57.345 -0.172 0.000 1.237 44 W CB 1.025 30.425 29.460 -0.099 0.000 1.243 44 W HN 0.465 nan 8.180 nan 0.000 0.493 45 M N 6.026 125.076 119.600 -0.916 0.000 2.047 45 M HA 0.066 4.546 4.480 0.001 0.000 0.342 45 M C -0.030 175.857 176.300 -0.688 0.000 1.058 45 M CA -0.292 54.516 55.300 -0.820 0.000 0.991 45 M CB 0.822 32.572 32.600 -1.418 0.000 1.474 45 M HN 0.270 nan 8.290 nan 0.000 0.419 46 S N 3.033 118.554 115.700 -0.299 0.000 2.430 46 S HA 0.487 4.958 4.470 0.001 0.000 0.289 46 S C 0.399 175.026 174.600 0.044 0.000 1.143 46 S CA -0.384 57.788 58.200 -0.048 0.000 1.067 46 S CB 0.325 63.656 63.200 0.218 0.000 0.964 46 S HN 0.762 nan 8.310 nan 0.000 0.485 47 T N 3.135 117.741 114.554 0.087 0.000 2.923 47 T HA 0.526 4.876 4.350 0.001 0.000 0.281 47 T C 1.088 175.869 174.700 0.135 0.000 0.995 47 T CA -0.894 61.288 62.100 0.136 0.000 0.985 47 T CB 0.737 69.709 68.868 0.173 0.000 1.114 47 T HN 0.432 nan 8.240 nan 0.000 0.548 48 R N -0.357 120.224 120.500 0.135 0.000 2.173 48 R HA 0.184 4.524 4.340 0.001 0.000 0.208 48 R C 0.500 176.897 176.300 0.161 0.000 1.035 48 R CA 0.675 56.854 56.100 0.132 0.000 1.004 48 R CB -0.678 29.691 30.300 0.115 0.000 0.917 48 R HN 0.763 nan 8.270 nan 0.000 0.462 49 H N 0.053 119.164 119.070 0.070 0.000 2.771 49 H HA 0.198 4.755 4.556 0.001 0.000 0.361 49 H C -0.088 175.285 175.328 0.075 0.000 1.108 49 H CA -0.285 55.790 56.048 0.046 0.000 1.201 49 H CB 1.812 31.545 29.762 -0.048 0.000 1.681 49 H HN -0.195 nan 8.280 nan 0.000 0.534 50 E N 2.388 122.727 120.200 0.231 0.000 2.265 50 E HA -0.160 4.190 4.350 0.001 0.000 0.196 50 E C 1.667 178.431 176.600 0.273 0.000 0.996 50 E CA 1.074 57.621 56.400 0.246 0.000 0.832 50 E CB 0.256 30.091 29.700 0.226 0.000 0.756 50 E HN 0.736 nan 8.360 nan 0.000 0.491 51 E N 0.353 120.825 120.200 0.453 0.000 2.085 51 E HA -0.203 4.147 4.350 0.001 0.000 0.194 51 E C 1.751 178.446 176.600 0.159 0.000 0.994 51 E CA 1.346 57.855 56.400 0.181 0.000 0.801 51 E CB 0.111 29.794 29.700 -0.029 0.000 0.743 51 E HN 0.127 nan 8.360 nan 0.000 0.453 52 V N 1.017 121.044 119.914 0.187 0.000 2.427 52 V HA -0.230 3.891 4.120 0.001 0.000 0.248 52 V C 2.416 178.546 176.094 0.059 0.000 1.051 52 V CA 1.576 63.972 62.300 0.160 0.000 1.048 52 V CB -0.688 31.197 31.823 0.104 0.000 0.666 52 V HN 0.447 nan 8.190 nan 0.000 0.456 53 A N 0.209 123.075 122.820 0.076 0.000 1.908 53 A HA -0.175 4.146 4.320 0.001 0.000 0.218 53 A C 2.431 179.940 177.584 -0.126 0.000 1.181 53 A CA 2.287 54.346 52.037 0.036 0.000 0.627 53 A CB -0.762 18.305 19.000 0.112 0.000 0.818 53 A HN 0.567 nan 8.150 nan 0.000 0.445 54 A N -1.276 121.488 122.820 -0.093 0.000 1.873 54 A HA 0.054 4.375 4.320 0.001 0.000 0.215 54 A C 1.947 179.388 177.584 -0.238 0.000 1.186 54 A CA 1.477 53.404 52.037 -0.184 0.000 0.616 54 A CB -0.753 18.123 19.000 -0.206 0.000 0.823 54 A HN 0.425 nan 8.150 nan 0.000 0.442 55 F N 0.375 120.217 119.950 -0.180 0.000 2.095 55 F HA -0.172 4.356 4.527 0.001 0.000 0.298 55 F C 2.828 178.430 175.800 -0.330 0.000 1.104 55 F CA 1.138 59.017 58.000 -0.203 0.000 1.232 55 F CB -0.688 38.214 39.000 -0.165 0.000 0.987 55 F HN 0.263 nan 8.300 nan 0.000 0.475 56 A N -0.243 122.388 122.820 -0.315 0.000 1.902 56 A HA -0.059 4.261 4.320 0.001 0.000 0.217 56 A C 2.420 179.465 177.584 -0.900 0.000 1.181 56 A CA 1.778 53.354 52.037 -0.769 0.000 0.623 56 A CB -1.361 16.784 19.000 -1.426 0.000 0.818 56 A HN 0.316 nan 8.150 nan 0.000 0.443 57 A N -0.415 121.882 122.820 -0.871 0.000 1.908 57 A HA 0.084 4.405 4.320 0.001 0.000 0.218 57 A C 2.431 179.873 177.584 -0.236 0.000 1.181 57 A CA 2.011 53.747 52.037 -0.502 0.000 0.627 57 A CB -1.453 17.403 19.000 -0.240 0.000 0.818 57 A HN 0.770 nan 8.150 nan 0.000 0.445 58 G N -0.580 108.100 108.800 -0.200 0.000 2.442 58 G HA2 -0.019 3.942 3.960 0.001 0.000 0.219 58 G HA3 -0.019 3.942 3.960 0.001 0.000 0.219 58 G C 1.716 176.567 174.900 -0.082 0.000 1.141 58 G CA 1.492 46.526 45.100 -0.109 0.000 0.763 58 G HN 0.821 nan 8.290 nan 0.000 0.554 59 A N 0.660 123.409 122.820 -0.118 0.000 1.930 59 A HA 0.002 4.323 4.320 0.001 0.000 0.217 59 A C 2.146 179.695 177.584 -0.058 0.000 1.175 59 A CA 1.968 53.954 52.037 -0.085 0.000 0.627 59 A CB -0.440 18.491 19.000 -0.115 0.000 0.815 59 A HN 0.501 nan 8.150 nan 0.000 0.443 60 E N 0.036 120.188 120.200 -0.079 0.000 2.051 60 E HA -0.142 4.208 4.350 0.001 0.000 0.192 60 E C 2.092 178.706 176.600 0.022 0.000 0.991 60 E CA 1.185 57.591 56.400 0.011 0.000 0.799 60 E CB -0.285 29.477 29.700 0.102 0.000 0.748 60 E HN 0.511 nan 8.360 nan 0.000 0.449 61 A N 0.630 123.453 122.820 0.005 0.000 1.930 61 A HA -0.238 4.082 4.320 0.001 0.000 0.217 61 A C 2.131 179.735 177.584 0.032 0.000 1.175 61 A CA 1.696 53.746 52.037 0.021 0.000 0.627 61 A CB -0.648 18.359 19.000 0.012 0.000 0.815 61 A HN 0.350 nan 8.150 nan 0.000 0.443 62 Q N -0.103 119.713 119.800 0.025 0.000 2.061 62 Q HA -0.115 4.226 4.340 0.001 0.000 0.204 62 Q C 1.812 177.846 176.000 0.056 0.000 0.984 62 Q CA 1.959 57.791 55.803 0.048 0.000 0.846 62 Q CB -0.414 28.348 28.738 0.040 0.000 0.902 62 Q HN 0.653 nan 8.270 nan 0.000 0.421 63 L N -0.417 120.829 121.223 0.038 0.000 2.095 63 L HA -0.052 4.288 4.340 0.001 0.000 0.204 63 L C 2.442 179.334 176.870 0.038 0.000 1.080 63 L CA 1.206 56.068 54.840 0.037 0.000 0.759 63 L CB -0.388 41.684 42.059 0.021 0.000 0.914 63 L HN 0.316 nan 8.230 nan 0.000 0.439 64 S N -0.851 114.871 115.700 0.037 0.000 2.470 64 S HA 0.078 4.549 4.470 0.001 0.000 0.225 64 S C 1.675 176.295 174.600 0.034 0.000 1.006 64 S CA 0.474 58.693 58.200 0.032 0.000 0.934 64 S CB 0.170 63.389 63.200 0.033 0.000 0.778 64 S HN 0.492 nan 8.310 nan 0.000 0.517 65 G N 0.475 109.301 108.800 0.044 0.000 2.155 65 G HA2 -0.243 3.718 3.960 0.001 0.000 0.257 65 G HA3 -0.243 3.718 3.960 0.001 0.000 0.257 65 G C -0.196 174.733 174.900 0.048 0.000 0.983 65 G CA 0.502 45.631 45.100 0.048 0.000 0.676 65 G HN 0.630 nan 8.290 nan 0.000 0.528 66 E N -1.360 118.866 120.200 0.044 0.000 2.336 66 E HA 0.618 4.968 4.350 0.001 0.000 0.267 66 E C -0.090 176.534 176.600 0.040 0.000 0.906 66 E CA -1.300 55.129 56.400 0.047 0.000 0.781 66 E CB 1.743 31.464 29.700 0.034 0.000 1.261 66 E HN 0.189 nan 8.360 nan 0.000 0.436 67 L N 2.029 123.270 121.223 0.031 0.000 2.601 67 L HA 0.167 4.508 4.340 0.001 0.000 0.277 67 L C -0.712 176.159 176.870 0.002 0.000 1.219 67 L CA 0.839 55.678 54.840 -0.003 0.000 0.915 67 L CB -0.141 41.875 42.059 -0.072 0.000 1.160 67 L HN 0.586 nan 8.230 nan 0.000 0.494 68 A N 4.815 127.641 122.820 0.011 0.000 2.350 68 A HA 0.880 5.201 4.320 0.001 0.000 0.318 68 A C -1.181 176.420 177.584 0.028 0.000 1.132 68 A CA -0.594 51.469 52.037 0.042 0.000 0.811 68 A CB 1.729 20.761 19.000 0.054 0.000 1.313 68 A HN 0.550 nan 8.150 nan 0.000 0.454 69 V N -0.011 119.950 119.914 0.078 0.000 2.760 69 V HA 0.555 4.676 4.120 0.001 0.000 0.309 69 V C -0.168 175.985 176.094 0.098 0.000 1.077 69 V CA -0.570 61.758 62.300 0.045 0.000 0.910 69 V CB 1.110 32.942 31.823 0.014 0.000 1.008 69 V HN 1.466 nan 8.190 nan 0.000 0.424 70 C N 2.032 121.353 119.300 0.035 0.000 3.044 70 C HA 1.077 5.538 4.460 0.001 0.000 0.315 70 C C -0.069 174.931 174.990 0.017 0.000 1.320 70 C CA -0.524 58.515 59.018 0.035 0.000 1.582 70 C CB 1.188 28.933 27.740 0.008 0.000 2.039 70 C HN 1.494 nan 8.230 nan 0.000 0.466 71 A N 0.175 123.020 122.820 0.043 0.000 2.572 71 A HA 1.001 5.321 4.320 0.001 0.000 0.295 71 A C -0.489 177.186 177.584 0.152 0.000 1.072 71 A CA 0.253 52.361 52.037 0.118 0.000 0.691 71 A CB 1.354 20.515 19.000 0.268 0.000 1.291 71 A HN 2.443 nan 8.150 nan 0.000 0.404 72 G N 0.210 109.092 108.800 0.137 0.000 2.667 72 G HA2 0.644 4.604 3.960 0.001 0.000 0.298 72 G HA3 0.644 4.604 3.960 0.001 0.000 0.298 72 G C -0.072 174.903 174.900 0.126 0.000 1.377 72 G CA 0.246 45.431 45.100 0.142 0.000 0.964 72 G HN 1.573 nan 8.290 nan 0.000 0.493 73 S N -0.905 114.861 115.700 0.111 0.000 2.626 73 S HA 0.394 4.865 4.470 0.001 0.000 0.257 73 S C 1.203 175.839 174.600 0.061 0.000 1.288 73 S CA -0.012 58.234 58.200 0.077 0.000 0.980 73 S CB 0.138 63.372 63.200 0.056 0.000 0.975 73 S HN 1.588 nan 8.310 nan 0.000 0.577 74 C N -0.035 119.295 119.300 0.051 0.000 2.700 74 C HA 0.707 5.167 4.460 0.001 0.000 0.397 74 C C 1.863 176.854 174.990 0.000 0.000 1.301 74 C CA -0.013 59.043 59.018 0.064 0.000 2.219 74 C CB -1.030 26.752 27.740 0.069 0.000 2.699 74 C HN 1.832 nan 8.230 nan 0.000 0.669 75 G N 3.452 112.268 108.800 0.026 0.000 2.602 75 G HA2 -0.246 3.715 3.960 0.001 0.000 0.310 75 G HA3 -0.246 3.715 3.960 0.001 0.000 0.310 75 G C -1.138 173.718 174.900 -0.073 0.000 1.183 75 G CA 0.593 45.667 45.100 -0.043 0.000 0.979 75 G HN 0.609 nan 8.290 nan 0.000 0.545 76 P HA -0.018 nan 4.420 nan 0.000 0.218 76 P C 2.012 179.139 177.300 -0.289 0.000 1.148 76 P CA 2.606 65.553 63.100 -0.254 0.000 0.822 76 P CB -0.721 30.797 31.700 -0.303 0.000 0.784 77 G N 1.275 109.986 108.800 -0.148 0.000 2.511 77 G HA2 -0.308 3.652 3.960 0.001 0.000 0.216 77 G HA3 -0.308 3.652 3.960 0.001 0.000 0.216 77 G C 1.392 176.320 174.900 0.048 0.000 1.218 77 G CA 1.368 46.437 45.100 -0.052 0.000 0.788 77 G HN 0.435 nan 8.290 nan 0.000 0.560 78 N N 0.246 119.001 118.700 0.091 0.000 2.270 78 N HA -0.002 4.738 4.740 0.001 0.000 0.181 78 N C 1.970 177.663 175.510 0.305 0.000 1.016 78 N CA 1.141 54.297 53.050 0.177 0.000 0.870 78 N CB -0.453 38.140 38.487 0.177 0.000 0.979 78 N HN 0.267 nan 8.380 nan 0.000 0.431 79 L N 0.862 122.198 121.223 0.189 0.000 2.079 79 L HA -0.142 4.198 4.340 0.001 0.000 0.210 79 L C 1.854 178.882 176.870 0.263 0.000 1.081 79 L CA 1.815 56.751 54.840 0.161 0.000 0.752 79 L CB -1.113 40.955 42.059 0.015 0.000 0.896 79 L HN 0.366 nan 8.230 nan 0.000 0.433 80 H N -1.369 117.785 119.070 0.141 0.000 2.489 80 H HA -0.131 4.425 4.556 0.001 0.000 0.295 80 H C 2.070 177.528 175.328 0.217 0.000 1.082 80 H CA 0.952 57.111 56.048 0.185 0.000 1.295 80 H CB 0.037 29.830 29.762 0.053 0.000 1.380 80 H HN 0.364 nan 8.280 nan 0.000 0.548 81 L N 0.037 121.444 121.223 0.306 0.000 2.291 81 L HA -0.120 4.220 4.340 0.001 0.000 0.214 81 L C 2.390 179.360 176.870 0.167 0.000 1.120 81 L CA 0.356 55.300 54.840 0.174 0.000 0.799 81 L CB -0.123 41.978 42.059 0.070 0.000 0.925 81 L HN 0.340 nan 8.230 nan 0.000 0.446 82 I N 0.621 121.381 120.570 0.317 0.000 2.163 82 I HA -0.371 3.800 4.170 0.001 0.000 0.243 82 I C 2.332 178.597 176.117 0.247 0.000 1.085 82 I CA 1.715 63.243 61.300 0.380 0.000 1.347 82 I CB 0.037 38.226 38.000 0.315 0.000 1.044 82 I HN 0.375 nan 8.210 nan 0.000 0.408 83 N N 0.663 119.445 118.700 0.136 0.000 2.188 83 N HA -0.121 4.620 4.740 0.001 0.000 0.184 83 N C 1.786 177.169 175.510 -0.213 0.000 1.018 83 N CA 1.644 54.738 53.050 0.073 0.000 0.858 83 N CB -0.410 38.133 38.487 0.094 0.000 0.989 83 N HN 0.408 nan 8.380 nan 0.000 0.426 84 G N 0.140 108.675 108.800 -0.441 0.000 2.421 84 G HA2 -0.110 3.851 3.960 0.001 0.000 0.217 84 G HA3 -0.110 3.851 3.960 0.001 0.000 0.217 84 G C 1.492 176.090 174.900 -0.503 0.000 1.143 84 G CA 0.414 44.954 45.100 -0.934 0.000 0.784 84 G HN 0.307 nan 8.290 nan 0.000 0.541 85 L N -0.855 120.212 121.223 -0.259 0.000 2.093 85 L HA 0.064 4.405 4.340 0.001 0.000 0.208 85 L C 2.598 179.319 176.870 -0.248 0.000 1.085 85 L CA 0.530 55.234 54.840 -0.228 0.000 0.755 85 L CB -0.391 41.546 42.059 -0.203 0.000 0.904 85 L HN 0.114 nan 8.230 nan 0.000 0.435 86 F N 0.778 120.525 119.950 -0.339 0.000 2.126 86 F HA -0.291 4.236 4.527 0.001 0.000 0.299 86 F C 2.335 177.836 175.800 -0.498 0.000 1.096 86 F CA 2.061 59.762 58.000 -0.498 0.000 1.255 86 F CB -0.305 38.098 39.000 -0.994 0.000 0.997 86 F HN 0.171 nan 8.300 nan 0.000 0.479 87 D N -0.711 119.509 120.400 -0.300 0.000 2.097 87 D HA -0.190 4.451 4.640 0.001 0.000 0.195 87 D C 2.254 178.497 176.300 -0.094 0.000 0.989 87 D CA 1.659 55.598 54.000 -0.101 0.000 0.827 87 D CB -0.317 40.468 40.800 -0.024 0.000 0.966 87 D HN 0.242 nan 8.370 nan 0.000 0.456 88 C N -0.435 118.777 119.300 -0.147 0.000 2.413 88 C HA -0.124 4.337 4.460 0.001 0.000 0.276 88 C C 2.547 177.491 174.990 -0.076 0.000 1.236 88 C CA 1.171 60.126 59.018 -0.105 0.000 1.735 88 C CB -1.451 26.213 27.740 -0.126 0.000 2.031 88 C HN 0.517 nan 8.230 nan 0.000 0.474 89 H N 0.595 119.545 119.070 -0.199 0.000 2.363 89 H HA 0.001 4.558 4.556 0.001 0.000 0.301 89 H C 2.422 177.672 175.328 -0.129 0.000 1.074 89 H CA 1.428 57.362 56.048 -0.188 0.000 1.354 89 H CB -0.094 29.496 29.762 -0.287 0.000 1.397 89 H HN 0.166 nan 8.280 nan 0.000 0.516 90 R N 0.275 120.703 120.500 -0.120 0.000 2.148 90 R HA -0.013 4.328 4.340 0.001 0.000 0.227 90 R C 1.063 177.108 176.300 -0.425 0.000 1.103 90 R CA 0.725 56.723 56.100 -0.171 0.000 0.983 90 R CB -0.248 30.069 30.300 0.028 0.000 0.874 90 R HN 0.437 nan 8.270 nan 0.000 0.451 91 N N 0.525 119.041 118.700 -0.306 0.000 2.461 91 N HA -0.054 4.687 4.740 0.001 0.000 0.188 91 N C -0.518 174.796 175.510 -0.326 0.000 1.134 91 N CA 0.253 53.117 53.050 -0.311 0.000 0.878 91 N CB -0.216 38.213 38.487 -0.097 0.000 0.972 91 N HN 0.403 nan 8.380 nan 0.000 0.456 92 H N -2.167 116.874 119.070 -0.049 0.000 2.756 92 H HA -0.111 4.446 4.556 0.001 0.000 0.315 92 H C -0.354 174.974 175.328 -0.000 0.000 1.210 92 H CA 0.227 56.246 56.048 -0.048 0.000 1.150 92 H CB -2.193 27.562 29.762 -0.011 0.000 1.463 92 H HN 0.046 nan 8.280 nan 0.000 0.427 93 V N -2.133 117.818 119.914 0.061 0.000 2.667 93 V HA 0.633 4.754 4.120 0.001 0.000 0.308 93 V C -2.276 173.851 176.094 0.054 0.000 1.048 93 V CA -2.655 59.681 62.300 0.060 0.000 0.928 93 V CB 2.373 34.213 31.823 0.028 0.000 1.004 93 V HN -0.015 nan 8.190 nan 0.000 0.444 94 P HA 0.313 nan 4.420 nan 0.000 0.274 94 P C -0.754 176.562 177.300 0.026 0.000 1.291 94 P CA 0.106 63.246 63.100 0.067 0.000 0.815 94 P CB 1.076 32.820 31.700 0.073 0.000 0.897 95 V N 5.545 125.464 119.914 0.009 0.000 2.638 95 V HA 0.293 4.414 4.120 0.001 0.000 0.306 95 V C -0.097 175.972 176.094 -0.042 0.000 1.052 95 V CA -0.867 61.416 62.300 -0.028 0.000 0.885 95 V CB 2.337 34.122 31.823 -0.063 0.000 0.999 95 V HN 0.345 nan 8.190 nan 0.000 0.424 96 L N 4.721 125.915 121.223 -0.047 0.000 2.282 96 L HA 0.895 5.235 4.340 0.001 0.000 0.288 96 L C 0.235 177.061 176.870 -0.074 0.000 1.033 96 L CA 0.007 54.813 54.840 -0.056 0.000 0.807 96 L CB 1.234 43.257 42.059 -0.060 0.000 1.209 96 L HN 0.778 nan 8.230 nan 0.000 0.423 97 A N 6.571 129.321 122.820 -0.117 0.000 2.271 97 A HA 0.664 4.985 4.320 0.001 0.000 0.317 97 A C -0.507 177.008 177.584 -0.116 0.000 1.245 97 A CA -0.454 51.491 52.037 -0.154 0.000 0.857 97 A CB 0.149 18.965 19.000 -0.308 0.000 1.175 97 A HN 0.716 nan 8.150 nan 0.000 0.512 98 I N 2.792 123.330 120.570 -0.052 0.000 2.291 98 I HA 0.366 4.537 4.170 0.001 0.000 0.290 98 I C 0.690 176.802 176.117 -0.008 0.000 1.050 98 I CA 0.008 61.302 61.300 -0.011 0.000 1.245 98 I CB 1.494 39.519 38.000 0.042 0.000 1.405 98 I HN 0.677 nan 8.210 nan 0.000 0.478 99 A N 6.241 129.043 122.820 -0.030 0.000 2.366 99 A HA 0.740 5.061 4.320 0.001 0.000 0.322 99 A C 0.497 178.117 177.584 0.060 0.000 1.397 99 A CA -0.494 51.546 52.037 0.005 0.000 0.984 99 A CB 0.185 19.176 19.000 -0.014 0.000 1.149 99 A HN 0.773 nan 8.150 nan 0.000 0.540 100 A N 2.294 125.165 122.820 0.086 0.000 2.483 100 A HA 0.504 4.825 4.320 0.001 0.000 0.238 100 A C 0.134 177.816 177.584 0.164 0.000 1.070 100 A CA 0.285 52.386 52.037 0.107 0.000 0.770 100 A CB -0.001 19.052 19.000 0.088 0.000 1.008 100 A HN 1.028 nan 8.150 nan 0.000 0.497 101 H N 0.126 119.209 119.070 0.022 0.000 2.907 101 H HA 0.595 5.151 4.556 0.001 0.000 0.361 101 H C 0.110 175.441 175.328 0.006 0.000 1.194 101 H CA -0.777 55.276 56.048 0.008 0.000 1.152 101 H CB 0.972 30.734 29.762 -0.000 0.000 1.867 101 H HN 0.733 nan 8.280 nan 0.000 0.561 102 I N 0.076 120.445 120.570 -0.335 0.000 3.246 102 I HA 0.331 4.502 4.170 0.001 0.000 0.280 102 I C -2.121 173.823 176.117 -0.288 0.000 1.239 102 I CA -1.962 59.197 61.300 -0.236 0.000 1.336 102 I CB 0.007 37.899 38.000 -0.180 0.000 1.383 102 I HN 0.353 nan 8.210 nan 0.000 0.617 103 P HA 0.009 nan 4.420 nan 0.000 0.265 103 P C 0.525 177.677 177.300 -0.247 0.000 1.193 103 P CA 0.031 63.015 63.100 -0.193 0.000 0.765 103 P CB 0.838 32.422 31.700 -0.193 0.000 0.823 104 S N 1.517 117.115 115.700 -0.171 0.000 2.419 104 S HA -0.175 4.296 4.470 0.001 0.000 0.233 104 S C 1.733 176.246 174.600 -0.144 0.000 1.016 104 S CA 1.471 59.584 58.200 -0.146 0.000 0.974 104 S CB -1.323 61.836 63.200 -0.069 0.000 0.786 104 S HN 0.516 nan 8.310 nan 0.000 0.492 105 S N 1.495 117.102 115.700 -0.154 0.000 2.447 105 S HA 0.009 4.480 4.470 0.001 0.000 0.233 105 S C 1.402 175.892 174.600 -0.184 0.000 1.006 105 S CA 0.674 58.789 58.200 -0.141 0.000 0.957 105 S CB -0.319 62.805 63.200 -0.127 0.000 0.773 105 S HN 0.494 nan 8.310 nan 0.000 0.507 106 E N 0.812 120.835 120.200 -0.294 0.000 2.472 106 E HA 0.356 4.707 4.350 0.001 0.000 0.196 106 E C 0.384 176.866 176.600 -0.197 0.000 1.033 106 E CA -0.277 55.904 56.400 -0.364 0.000 0.886 106 E CB -0.176 28.961 29.700 -0.939 0.000 0.944 106 E HN 0.604 nan 8.360 nan 0.000 0.492 107 I N 1.060 121.527 120.570 -0.172 0.000 2.775 107 I HA -0.033 4.138 4.170 0.001 0.000 0.290 107 I C 1.431 177.538 176.117 -0.017 0.000 1.203 107 I CA 1.286 62.522 61.300 -0.106 0.000 1.433 107 I CB 0.333 38.277 38.000 -0.093 0.000 1.354 107 I HN 0.288 nan 8.210 nan 0.000 0.579 108 G N 3.861 112.685 108.800 0.041 0.000 2.157 108 G HA2 -0.287 3.674 3.960 0.001 0.000 0.248 108 G HA3 -0.287 3.674 3.960 0.001 0.000 0.248 108 G C 0.672 175.619 174.900 0.077 0.000 0.979 108 G CA 0.446 45.601 45.100 0.091 0.000 0.650 108 G HN 0.772 nan 8.290 nan 0.000 0.529 109 S N -0.731 115.014 115.700 0.075 0.000 2.559 109 S HA 0.488 4.959 4.470 0.001 0.000 0.226 109 S C 1.697 176.365 174.600 0.113 0.000 1.000 109 S CA 1.060 59.309 58.200 0.083 0.000 0.948 109 S CB 0.767 64.011 63.200 0.073 0.000 0.870 109 S HN 2.275 nan 8.310 nan 0.000 0.497 110 G N 1.216 110.092 108.800 0.127 0.000 2.291 110 G HA2 -0.284 3.677 3.960 0.001 0.000 0.271 110 G HA3 -0.284 3.677 3.960 0.001 0.000 0.271 110 G C -0.316 174.680 174.900 0.160 0.000 1.099 110 G CA 0.036 45.209 45.100 0.123 0.000 0.919 110 G HN 0.624 nan 8.290 nan 0.000 0.496 111 Y N -0.261 120.060 120.300 0.035 0.000 2.299 111 Y HA 0.584 5.135 4.550 0.001 0.000 0.335 111 Y C 0.870 176.830 175.900 0.099 0.000 1.287 111 Y CA -1.505 56.631 58.100 0.059 0.000 1.424 111 Y CB 0.319 38.794 38.460 0.024 0.000 1.326 111 Y HN 0.416 nan 8.280 nan 0.000 0.567 112 F N 4.603 124.070 119.950 -0.805 0.000 2.604 112 F HA -0.058 4.469 4.527 0.001 0.000 0.393 112 F C 0.875 176.534 175.800 -0.235 0.000 1.043 112 F CA 0.870 58.534 58.000 -0.560 0.000 1.227 112 F CB -0.049 38.488 39.000 -0.771 0.000 1.016 112 F HN 0.784 nan 8.300 nan 0.000 0.556 113 Q N 0.827 120.265 119.800 -0.604 0.000 2.362 113 Q HA -0.339 4.002 4.340 0.001 0.000 0.220 113 Q C 0.249 176.157 176.000 -0.153 0.000 0.713 113 Q CA 1.341 56.861 55.803 -0.472 0.000 1.345 113 Q CB -1.554 26.799 28.738 -0.642 0.000 1.570 113 Q HN 0.856 nan 8.270 nan 0.000 0.701 114 E N 1.584 121.760 120.200 -0.040 0.000 2.480 114 E HA 0.123 4.474 4.350 0.001 0.000 0.258 114 E C 0.214 176.838 176.600 0.040 0.000 0.984 114 E CA 1.118 57.538 56.400 0.034 0.000 0.930 114 E CB 0.562 30.309 29.700 0.079 0.000 0.936 114 E HN 0.279 nan 8.360 nan 0.000 0.466 115 T N 1.527 116.120 114.554 0.065 0.000 2.804 115 T HA 0.377 4.727 4.350 0.001 0.000 0.290 115 T C -0.857 173.850 174.700 0.011 0.000 1.099 115 T CA -0.944 61.206 62.100 0.082 0.000 1.011 115 T CB 1.005 69.890 68.868 0.029 0.000 1.291 115 T HN 0.486 nan 8.240 nan 0.000 0.523 116 H N 0.795 119.855 119.070 -0.016 0.000 2.418 116 H HA 0.404 4.961 4.556 0.001 0.000 0.238 116 H C -2.185 173.058 175.328 -0.141 0.000 1.403 116 H CA -1.813 54.195 56.048 -0.067 0.000 1.419 116 H CB 1.141 30.884 29.762 -0.031 0.000 1.463 116 H HN 0.393 nan 8.280 nan 0.000 0.515 117 P HA -0.218 nan 4.420 nan 0.000 0.218 117 P C 1.690 179.025 177.300 0.057 0.000 1.148 117 P CA 0.989 64.070 63.100 -0.031 0.000 0.822 117 P CB 0.435 32.181 31.700 0.076 0.000 0.784 118 Q N 0.236 120.025 119.800 -0.017 0.000 2.364 118 Q HA -0.160 4.181 4.340 0.001 0.000 0.209 118 Q C 1.292 177.291 176.000 -0.002 0.000 0.977 118 Q CA 1.622 57.425 55.803 0.000 0.000 0.885 118 Q CB -0.797 27.921 28.738 -0.033 0.000 0.941 118 Q HN 0.370 nan 8.270 nan 0.000 0.464 119 E N 0.552 120.748 120.200 -0.007 0.000 2.162 119 E HA 0.121 4.472 4.350 0.001 0.000 0.193 119 E C 2.237 178.788 176.600 -0.082 0.000 0.953 119 E CA 0.214 56.593 56.400 -0.035 0.000 0.849 119 E CB 0.066 29.745 29.700 -0.035 0.000 0.810 119 E HN 0.172 nan 8.360 nan 0.000 0.470 120 L N 0.156 121.278 121.223 -0.168 0.000 2.079 120 L HA -0.166 4.174 4.340 0.001 0.000 0.210 120 L C 1.587 178.253 176.870 -0.341 0.000 1.081 120 L CA 1.153 55.798 54.840 -0.325 0.000 0.752 120 L CB -0.200 41.503 42.059 -0.592 0.000 0.896 120 L HN 0.125 nan 8.230 nan 0.000 0.433 121 F N -0.936 118.969 119.950 -0.075 0.000 2.732 121 F HA 0.108 4.636 4.527 0.001 0.000 0.303 121 F C 2.215 177.893 175.800 -0.203 0.000 1.110 121 F CA -0.095 57.818 58.000 -0.145 0.000 1.355 121 F CB -0.456 38.452 39.000 -0.153 0.000 1.081 121 F HN -0.125 nan 8.300 nan 0.000 0.565 122 R N 0.526 121.014 120.500 -0.021 0.000 2.096 122 R HA -0.232 4.108 4.340 0.001 0.000 0.240 122 R C 2.123 178.350 176.300 -0.121 0.000 1.139 122 R CA 1.964 58.025 56.100 -0.064 0.000 0.952 122 R CB -0.386 29.889 30.300 -0.042 0.000 0.854 122 R HN 0.370 nan 8.270 nan 0.000 0.436 123 E N 0.416 120.549 120.200 -0.111 0.000 2.152 123 E HA -0.145 4.206 4.350 0.001 0.000 0.192 123 E C 0.860 177.211 176.600 -0.414 0.000 0.983 123 E CA 1.171 57.499 56.400 -0.120 0.000 0.818 123 E CB 0.154 29.910 29.700 0.094 0.000 0.758 123 E HN 0.532 nan 8.360 nan 0.000 0.467 124 C N 0.883 119.749 119.300 -0.723 0.000 2.336 124 C HA 0.576 5.037 4.460 0.001 0.000 0.332 124 C C 0.265 174.642 174.990 -1.021 0.000 1.375 124 C CA -0.465 57.906 59.018 -1.079 0.000 1.785 124 C CB -1.709 25.060 27.740 -1.619 0.000 2.407 124 C HN 0.190 nan 8.230 nan 0.000 0.562 125 S N -1.211 113.865 115.700 -1.039 0.000 2.588 125 S HA 0.488 4.959 4.470 0.001 0.000 0.269 125 S C -0.179 174.068 174.600 -0.587 0.000 1.157 125 S CA -0.428 57.202 58.200 -0.950 0.000 0.824 125 S CB 0.378 63.329 63.200 -0.414 0.000 1.126 125 S HN 0.715 nan 8.310 nan 0.000 0.464 126 H N -0.349 118.668 119.070 -0.088 0.000 2.672 126 H HA 0.399 4.956 4.556 0.001 0.000 0.277 126 H C -0.841 174.572 175.328 0.141 0.000 1.074 126 H CA -0.346 55.750 56.048 0.081 0.000 1.173 126 H CB 0.314 30.194 29.762 0.197 0.000 1.558 126 H HN 0.618 nan 8.280 nan 0.000 0.539 127 Y N 0.757 121.173 120.300 0.193 0.000 2.442 127 Y HA 0.418 4.968 4.550 0.001 0.000 0.330 127 Y C -1.940 173.977 175.900 0.030 0.000 1.100 127 Y CA -1.472 56.697 58.100 0.116 0.000 1.034 127 Y CB 2.008 40.556 38.460 0.148 0.000 1.285 127 Y HN 0.279 nan 8.280 nan 0.000 0.440 128 C N 7.091 126.071 119.300 -0.535 0.000 2.968 128 C HA 0.651 5.112 4.460 0.001 0.000 0.389 128 C C -1.975 172.784 174.990 -0.386 0.000 1.068 128 C CA -0.109 58.725 59.018 -0.307 0.000 1.272 128 C CB 0.111 27.771 27.740 -0.133 0.000 1.711 128 C HN 0.875 nan 8.230 nan 0.000 0.501 129 E N 3.183 123.209 120.200 -0.290 0.000 2.390 129 E HA 0.409 4.760 4.350 0.001 0.000 0.277 129 E C -1.475 175.095 176.600 -0.050 0.000 0.939 129 E CA -0.726 55.560 56.400 -0.190 0.000 0.769 129 E CB 2.310 31.877 29.700 -0.221 0.000 1.251 129 E HN 0.618 nan 8.360 nan 0.000 0.450 130 L N 1.542 122.750 121.223 -0.025 0.000 2.292 130 L HA 0.257 4.598 4.340 0.001 0.000 0.284 130 L C -0.837 176.057 176.870 0.040 0.000 1.065 130 L CA -0.457 54.390 54.840 0.011 0.000 0.806 130 L CB 1.177 43.248 42.059 0.020 0.000 1.175 130 L HN 0.280 nan 8.230 nan 0.000 0.431 131 V N 5.964 125.912 119.914 0.057 0.000 2.322 131 V HA 0.197 4.317 4.120 0.001 0.000 0.258 131 V C 1.047 177.173 176.094 0.054 0.000 1.074 131 V CA 0.162 62.498 62.300 0.059 0.000 0.909 131 V CB 0.121 31.983 31.823 0.066 0.000 1.090 131 V HN 1.029 nan 8.190 nan 0.000 0.486 132 S N 2.273 117.999 115.700 0.043 0.000 2.458 132 S HA 0.021 4.492 4.470 0.001 0.000 0.223 132 S C 0.959 175.571 174.600 0.020 0.000 1.019 132 S CA 0.557 58.778 58.200 0.034 0.000 0.937 132 S CB 0.261 63.478 63.200 0.029 0.000 0.788 132 S HN 0.687 nan 8.310 nan 0.000 0.511 133 S N 0.608 116.319 115.700 0.018 0.000 2.532 133 S HA 0.453 4.924 4.470 0.001 0.000 0.299 133 S C -2.516 172.084 174.600 0.001 0.000 1.105 133 S CA -1.790 56.414 58.200 0.007 0.000 1.018 133 S CB 1.561 64.764 63.200 0.005 0.000 1.021 133 S HN -0.171 nan 8.310 nan 0.000 0.483 134 P HA -0.100 nan 4.420 nan 0.000 0.217 134 P C 1.012 178.283 177.300 -0.049 0.000 1.148 134 P CA 1.005 64.088 63.100 -0.027 0.000 0.828 134 P CB 0.153 31.834 31.700 -0.032 0.000 0.783 135 E N -0.316 119.862 120.200 -0.036 0.000 2.265 135 E HA -0.183 4.167 4.350 0.001 0.000 0.196 135 E C 1.907 178.489 176.600 -0.031 0.000 0.996 135 E CA 0.962 57.337 56.400 -0.042 0.000 0.832 135 E CB -0.399 29.286 29.700 -0.024 0.000 0.756 135 E HN 0.518 nan 8.360 nan 0.000 0.491 136 Q N -0.051 119.744 119.800 -0.009 0.000 2.230 136 Q HA -0.068 4.272 4.340 0.001 0.000 0.202 136 Q C 2.153 178.165 176.000 0.021 0.000 0.963 136 Q CA 0.363 56.177 55.803 0.018 0.000 0.866 136 Q CB -0.085 28.678 28.738 0.041 0.000 0.931 136 Q HN 0.152 nan 8.270 nan 0.000 0.452 137 I N 1.374 121.937 120.570 -0.011 0.000 2.264 137 I HA -0.174 3.997 4.170 0.001 0.000 0.248 137 I C -1.192 174.960 176.117 0.059 0.000 1.111 137 I CA 1.210 62.525 61.300 0.025 0.000 1.382 137 I CB -0.584 37.426 38.000 0.017 0.000 1.060 137 I HN 0.075 nan 8.210 nan 0.000 0.418 138 P HA -0.140 nan 4.420 nan 0.000 0.217 138 P C 1.480 178.851 177.300 0.118 0.000 1.151 138 P CA 1.403 64.549 63.100 0.076 0.000 0.828 138 P CB 0.006 31.693 31.700 -0.022 0.000 0.788 139 Q N -0.783 119.059 119.800 0.071 0.000 2.049 139 Q HA -0.066 4.275 4.340 0.001 0.000 0.198 139 Q C 2.199 178.241 176.000 0.070 0.000 0.971 139 Q CA 1.143 56.986 55.803 0.068 0.000 0.833 139 Q CB -1.510 27.262 28.738 0.058 0.000 0.896 139 Q HN 0.037 nan 8.270 nan 0.000 0.434 140 V N 0.551 120.529 119.914 0.106 0.000 2.295 140 V HA -0.226 3.895 4.120 0.001 0.000 0.246 140 V C 2.050 178.183 176.094 0.064 0.000 1.049 140 V CA 1.544 63.937 62.300 0.155 0.000 1.024 140 V CB -0.527 31.421 31.823 0.208 0.000 0.648 140 V HN 0.298 nan 8.190 nan 0.000 0.447 141 L N 0.544 121.827 121.223 0.100 0.000 2.093 141 L HA -0.043 4.298 4.340 0.001 0.000 0.208 141 L C 2.421 179.315 176.870 0.040 0.000 1.085 141 L CA 2.251 57.135 54.840 0.074 0.000 0.755 141 L CB -0.893 41.255 42.059 0.148 0.000 0.904 141 L HN 0.230 nan 8.230 nan 0.000 0.435 142 A N -0.327 122.554 122.820 0.103 0.000 1.877 142 A HA -0.170 4.151 4.320 0.001 0.000 0.216 142 A C 2.246 179.870 177.584 0.066 0.000 1.186 142 A CA 2.099 54.242 52.037 0.178 0.000 0.620 142 A CB -0.809 18.292 19.000 0.169 0.000 0.822 142 A HN 0.479 nan 8.150 nan 0.000 0.443 143 I N -0.288 120.214 120.570 -0.113 0.000 2.202 143 I HA -0.233 3.937 4.170 0.001 0.000 0.242 143 I C 2.998 178.842 176.117 -0.455 0.000 1.091 143 I CA 0.940 62.063 61.300 -0.294 0.000 1.368 143 I CB -0.425 37.302 38.000 -0.456 0.000 1.058 143 I HN 0.341 nan 8.210 nan 0.000 0.410 144 A N 0.865 123.323 122.820 -0.604 0.000 1.873 144 A HA -0.279 4.042 4.320 0.001 0.000 0.218 144 A C 2.361 179.879 177.584 -0.109 0.000 1.193 144 A CA 2.153 53.978 52.037 -0.353 0.000 0.629 144 A CB -0.702 18.240 19.000 -0.098 0.000 0.826 144 A HN 0.367 nan 8.150 nan 0.000 0.447 145 M N -2.220 117.324 119.600 -0.094 0.000 2.156 145 M HA -0.077 4.403 4.480 0.001 0.000 0.264 145 M C 2.401 178.741 176.300 0.066 0.000 1.067 145 M CA 1.711 56.937 55.300 -0.123 0.000 1.131 145 M CB -0.182 32.139 32.600 -0.465 0.000 1.368 145 M HN 0.367 nan 8.290 nan 0.000 0.416 146 R N 0.642 121.270 120.500 0.214 0.000 2.081 146 R HA -0.096 4.244 4.340 0.001 0.000 0.235 146 R C 1.985 178.331 176.300 0.076 0.000 1.131 146 R CA 1.620 57.862 56.100 0.237 0.000 0.960 146 R CB -0.025 30.368 30.300 0.154 0.000 0.856 146 R HN 0.209 nan 8.270 nan 0.000 0.436 147 K N -0.686 119.699 120.400 -0.026 0.000 2.057 147 K HA -0.040 4.281 4.320 0.001 0.000 0.206 147 K C 2.037 178.629 176.600 -0.013 0.000 1.050 147 K CA 1.250 57.447 56.287 -0.150 0.000 0.935 147 K CB -0.142 32.195 32.500 -0.272 0.000 0.715 147 K HN 0.214 nan 8.250 nan 0.000 0.439 148 A N 0.855 123.792 122.820 0.195 0.000 1.883 148 A HA -0.163 4.157 4.320 0.001 0.000 0.217 148 A C 2.333 180.026 177.584 0.182 0.000 1.186 148 A CA 1.735 53.945 52.037 0.289 0.000 0.624 148 A CB -0.702 18.385 19.000 0.146 0.000 0.822 148 A HN 0.088 nan 8.150 nan 0.000 0.444 149 V N -0.476 119.515 119.914 0.130 0.000 2.302 149 V HA -0.157 3.964 4.120 0.001 0.000 0.243 149 V C 2.515 178.679 176.094 0.116 0.000 1.036 149 V CA 1.839 64.218 62.300 0.131 0.000 1.020 149 V CB -0.614 31.317 31.823 0.181 0.000 0.657 149 V HN 0.536 nan 8.190 nan 0.000 0.453 150 L N -0.261 121.018 121.223 0.094 0.000 2.162 150 L HA -0.003 4.338 4.340 0.001 0.000 0.205 150 L C 1.940 178.827 176.870 0.028 0.000 1.086 150 L CA 1.386 56.261 54.840 0.058 0.000 0.778 150 L CB -0.442 41.643 42.059 0.043 0.000 0.928 150 L HN 0.381 nan 8.230 nan 0.000 0.446 151 N N -0.036 118.662 118.700 -0.003 0.000 2.412 151 N HA 0.054 4.795 4.740 0.001 0.000 0.184 151 N C -0.518 175.074 175.510 0.137 0.000 1.101 151 N CA -0.170 52.875 53.050 -0.008 0.000 0.881 151 N CB 0.266 38.617 38.487 -0.227 0.000 0.969 151 N HN 0.068 nan 8.380 nan 0.000 0.459 152 R N 0.048 120.657 120.500 0.180 0.000 2.983 152 R HA -0.139 4.202 4.340 0.001 0.000 0.272 152 R C -0.239 176.193 176.300 0.221 0.000 0.926 152 R CA 0.311 56.518 56.100 0.179 0.000 0.667 152 R CB -1.928 28.440 30.300 0.113 0.000 1.540 152 R HN 0.464 nan 8.270 nan 0.000 0.467 153 G N -0.857 108.102 108.800 0.265 0.000 2.428 153 G HA2 0.418 4.379 3.960 0.001 0.000 0.305 153 G HA3 0.418 4.379 3.960 0.001 0.000 0.305 153 G C -1.134 173.770 174.900 0.006 0.000 1.260 153 G CA -0.516 44.639 45.100 0.092 0.000 0.853 153 G HN 0.137 nan 8.290 nan 0.000 0.480 154 V N 0.829 120.701 119.914 -0.069 0.000 2.481 154 V HA 0.662 4.783 4.120 0.001 0.000 0.286 154 V C 0.141 176.081 176.094 -0.257 0.000 1.042 154 V CA -0.276 61.920 62.300 -0.174 0.000 0.928 154 V CB 1.322 32.999 31.823 -0.244 0.000 0.986 154 V HN 0.700 nan 8.190 nan 0.000 0.462 155 S N 2.952 118.619 115.700 -0.055 0.000 2.513 155 S HA 0.741 5.211 4.470 0.001 0.000 0.299 155 S C -0.694 173.898 174.600 -0.014 0.000 1.087 155 S CA -0.557 57.688 58.200 0.075 0.000 1.012 155 S CB 2.010 65.325 63.200 0.192 0.000 1.044 155 S HN 0.440 nan 8.310 nan 0.000 0.485 156 V N 2.817 122.734 119.914 0.006 0.000 2.540 156 V HA 0.536 4.656 4.120 0.001 0.000 0.302 156 V C -0.704 175.400 176.094 0.016 0.000 1.035 156 V CA -0.653 61.593 62.300 -0.091 0.000 0.873 156 V CB 1.808 33.491 31.823 -0.233 0.000 0.992 156 V HN 0.665 nan 8.190 nan 0.000 0.428 157 V N 5.446 125.364 119.914 0.006 0.000 2.409 157 V HA 0.442 4.563 4.120 0.001 0.000 0.291 157 V C -0.231 175.872 176.094 0.016 0.000 1.020 157 V CA -0.575 61.758 62.300 0.055 0.000 0.848 157 V CB 1.965 33.836 31.823 0.080 0.000 0.990 157 V HN 0.625 nan 8.190 nan 0.000 0.430 158 V N 6.555 126.479 119.914 0.016 0.000 2.370 158 V HA 0.482 4.603 4.120 0.001 0.000 0.279 158 V C -0.384 175.740 176.094 0.050 0.000 1.029 158 V CA -0.487 61.815 62.300 0.004 0.000 0.870 158 V CB 1.486 33.271 31.823 -0.063 0.000 0.984 158 V HN 0.628 nan 8.190 nan 0.000 0.451 159 L N 8.963 130.236 121.223 0.083 0.000 2.427 159 L HA 0.636 4.977 4.340 0.001 0.000 0.264 159 L C -2.650 174.293 176.870 0.122 0.000 0.989 159 L CA -1.799 53.097 54.840 0.094 0.000 0.865 159 L CB 1.916 44.019 42.059 0.074 0.000 1.209 159 L HN 0.371 nan 8.230 nan 0.000 0.430 160 P HA 0.154 nan 4.420 nan 0.000 0.266 160 P C 0.856 178.176 177.300 0.034 0.000 1.195 160 P CA 0.188 63.331 63.100 0.071 0.000 0.768 160 P CB 0.848 32.555 31.700 0.012 0.000 0.838 161 G N 3.110 111.920 108.800 0.018 0.000 2.450 161 G HA2 -0.266 3.695 3.960 0.001 0.000 0.220 161 G HA3 -0.266 3.695 3.960 0.001 0.000 0.220 161 G C 1.042 175.943 174.900 0.002 0.000 1.130 161 G CA 0.785 45.893 45.100 0.014 0.000 0.760 161 G HN 0.579 nan 8.290 nan 0.000 0.557 162 D N 0.752 121.144 120.400 -0.014 0.000 2.123 162 D HA -0.089 4.552 4.640 0.001 0.000 0.200 162 D C 2.491 178.787 176.300 -0.007 0.000 0.976 162 D CA 0.976 54.966 54.000 -0.017 0.000 0.831 162 D CB -0.859 39.920 40.800 -0.035 0.000 0.974 162 D HN 0.248 nan 8.370 nan 0.000 0.469 163 V N 1.695 121.609 119.914 -0.001 0.000 2.407 163 V HA -0.184 3.937 4.120 0.001 0.000 0.248 163 V C 2.929 179.033 176.094 0.016 0.000 1.055 163 V CA 1.669 63.974 62.300 0.008 0.000 1.049 163 V CB -0.994 30.840 31.823 0.018 0.000 0.662 163 V HN 0.362 nan 8.190 nan 0.000 0.455 164 A N -0.334 122.500 122.820 0.023 0.000 1.978 164 A HA -0.160 4.161 4.320 0.001 0.000 0.220 164 A C 2.103 179.699 177.584 0.021 0.000 1.170 164 A CA 1.750 53.804 52.037 0.029 0.000 0.636 164 A CB -0.469 18.548 19.000 0.029 0.000 0.810 164 A HN 0.550 nan 8.150 nan 0.000 0.448 165 L N -1.296 119.933 121.223 0.011 0.000 2.592 165 L HA 0.091 4.432 4.340 0.001 0.000 0.227 165 L C 0.666 177.539 176.870 0.005 0.000 1.127 165 L CA -0.002 54.841 54.840 0.006 0.000 0.884 165 L CB -0.049 42.010 42.059 -0.001 0.000 1.065 165 L HN 0.206 nan 8.230 nan 0.000 0.457 166 K N 0.542 120.945 120.400 0.005 0.000 2.107 166 K HA 0.257 4.578 4.320 0.001 0.000 0.251 166 K C -2.303 174.298 176.600 0.002 0.000 1.012 166 K CA -1.842 54.445 56.287 0.000 0.000 0.920 166 K CB 0.337 32.834 32.500 -0.004 0.000 1.033 166 K HN -0.253 nan 8.250 nan 0.000 0.478 167 P HA -0.001 nan 4.420 nan 0.000 0.271 167 P C -1.070 176.219 177.300 -0.019 0.000 1.220 167 P CA -0.008 63.090 63.100 -0.003 0.000 0.768 167 P CB 0.812 32.509 31.700 -0.006 0.000 0.848 168 A N 6.134 128.942 122.820 -0.020 0.000 2.406 168 A HA 0.358 4.679 4.320 0.001 0.000 0.243 168 A C -2.009 175.516 177.584 -0.099 0.000 1.082 168 A CA -1.031 50.955 52.037 -0.085 0.000 0.786 168 A CB -1.356 17.595 19.000 -0.081 0.000 1.029 168 A HN 0.415 nan 8.150 nan 0.000 0.495 169 P HA 0.085 nan 4.420 nan 0.000 0.265 169 P C 0.296 177.548 177.300 -0.080 0.000 1.193 169 P CA 0.140 63.173 63.100 -0.111 0.000 0.765 169 P CB 0.448 32.064 31.700 -0.140 0.000 0.823 170 E N 2.057 122.235 120.200 -0.037 0.000 2.150 170 E HA -0.094 4.257 4.350 0.001 0.000 0.193 170 E C 1.910 178.513 176.600 0.005 0.000 0.985 170 E CA 1.170 57.564 56.400 -0.009 0.000 0.814 170 E CB -0.292 29.407 29.700 -0.001 0.000 0.752 170 E HN 0.636 nan 8.360 nan 0.000 0.466 171 G N 0.938 109.735 108.800 -0.005 0.000 2.985 171 G HA2 0.194 4.154 3.960 0.001 0.000 0.209 171 G HA3 0.194 4.154 3.960 0.001 0.000 0.209 171 G C 0.528 175.445 174.900 0.029 0.000 1.165 171 G CA 0.240 45.347 45.100 0.012 0.000 0.776 171 G HN 0.229 nan 8.290 nan 0.000 0.541 172 A N 0.690 123.516 122.820 0.009 0.000 2.483 172 A HA 0.516 4.836 4.320 0.001 0.000 0.238 172 A C 0.847 178.554 177.584 0.205 0.000 1.070 172 A CA 0.696 52.760 52.037 0.044 0.000 0.770 172 A CB 0.118 19.001 19.000 -0.196 0.000 1.008 172 A HN 0.542 nan 8.150 nan 0.000 0.497 173 T N 0.203 114.912 114.554 0.259 0.000 2.895 173 T HA 0.579 4.930 4.350 0.001 0.000 0.283 173 T C 0.457 175.332 174.700 0.291 0.000 1.014 173 T CA -0.555 61.695 62.100 0.249 0.000 1.037 173 T CB 0.926 69.894 68.868 0.167 0.000 1.006 173 T HN 0.468 nan 8.240 nan 0.000 0.468 174 M N 0.908 120.612 119.600 0.174 0.000 2.367 174 M HA 0.240 4.720 4.480 0.001 0.000 0.256 174 M C 0.519 176.863 176.300 0.073 0.000 1.091 174 M CA -0.278 55.022 55.300 -0.001 0.000 1.049 174 M CB -0.163 32.384 32.600 -0.090 0.000 1.406 174 M HN 0.795 nan 8.290 nan 0.000 0.498 175 H N 0.908 120.026 119.070 0.079 0.000 2.928 175 H HA -0.038 4.518 4.556 0.001 0.000 0.338 175 H C -1.277 174.156 175.328 0.175 0.000 1.047 175 H CA 0.552 56.663 56.048 0.105 0.000 1.435 175 H CB 0.589 30.401 29.762 0.083 0.000 1.428 175 H HN 0.344 nan 8.280 nan 0.000 0.590 176 W N 7.793 128.722 121.300 -0.619 0.000 2.417 176 W HA 0.197 4.858 4.660 0.001 0.000 0.315 176 W C -1.651 174.628 176.519 -0.400 0.000 1.045 176 W CA -1.130 55.980 57.345 -0.392 0.000 1.221 176 W CB 0.725 29.929 29.460 -0.427 0.000 1.309 176 W HN 0.615 nan 8.180 nan 0.000 0.453 177 Y N 5.603 125.469 120.300 -0.722 0.000 2.365 177 Y HA 0.168 4.719 4.550 0.001 0.000 0.340 177 Y C -0.231 175.195 175.900 -0.789 0.000 1.016 177 Y CA 0.121 57.923 58.100 -0.496 0.000 1.196 177 Y CB 0.315 38.609 38.460 -0.278 0.000 1.167 177 Y HN 0.318 nan 8.280 nan 0.000 0.509 178 H N 4.638 123.197 119.070 -0.851 0.000 3.015 178 H HA 0.436 4.993 4.556 0.001 0.000 0.268 178 H C -0.266 174.860 175.328 -0.336 0.000 1.113 178 H CA 0.265 56.080 56.048 -0.388 0.000 1.479 178 H CB 0.427 30.082 29.762 -0.179 0.000 1.493 178 H HN 0.733 nan 8.280 nan 0.000 0.486 179 A N 5.928 128.770 122.820 0.036 0.000 2.252 179 A HA 0.390 4.710 4.320 0.001 0.000 0.309 179 A C -2.032 175.622 177.584 0.116 0.000 1.285 179 A CA -1.481 50.646 52.037 0.149 0.000 0.900 179 A CB -0.002 19.070 19.000 0.121 0.000 1.157 179 A HN 0.484 nan 8.150 nan 0.000 0.536 180 P HA 0.169 nan 4.420 nan 0.000 0.274 180 P C -0.331 177.005 177.300 0.061 0.000 1.256 180 P CA -0.490 62.654 63.100 0.073 0.000 0.795 180 P CB 0.369 32.101 31.700 0.053 0.000 1.038 181 Q N 1.028 120.857 119.800 0.048 0.000 2.369 181 Q HA 0.089 4.430 4.340 0.001 0.000 0.295 181 Q C -1.674 174.340 176.000 0.025 0.000 1.075 181 Q CA -0.491 55.331 55.803 0.033 0.000 0.941 181 Q CB -0.759 27.993 28.738 0.023 0.000 1.260 181 Q HN 0.438 nan 8.270 nan 0.000 0.417 182 P HA 0.177 nan 4.420 nan 0.000 0.277 182 P C -0.634 176.668 177.300 0.004 0.000 1.271 182 P CA -0.483 62.623 63.100 0.010 0.000 0.795 182 P CB 0.606 32.308 31.700 0.003 0.000 1.101 183 V N 1.136 121.050 119.914 0.000 0.000 2.455 183 V HA 0.217 4.338 4.120 0.001 0.000 0.273 183 V C 0.639 176.727 176.094 -0.010 0.000 1.045 183 V CA -0.285 62.012 62.300 -0.005 0.000 0.976 183 V CB 0.842 32.662 31.823 -0.005 0.000 0.993 183 V HN 0.465 nan 8.190 nan 0.000 0.475 184 V N 3.355 123.260 119.914 -0.014 0.000 2.443 184 V HA 0.907 5.027 4.120 0.001 0.000 0.293 184 V C -0.492 175.588 176.094 -0.024 0.000 1.021 184 V CA 0.133 62.423 62.300 -0.018 0.000 0.848 184 V CB 1.823 33.636 31.823 -0.017 0.000 0.998 184 V HN 0.971 nan 8.190 nan 0.000 0.424 185 T N 5.880 120.420 114.554 -0.024 0.000 2.916 185 T HA 0.737 5.088 4.350 0.001 0.000 0.305 185 T C -3.046 171.637 174.700 -0.028 0.000 1.119 185 T CA -1.329 60.752 62.100 -0.030 0.000 1.008 185 T CB 2.173 71.022 68.868 -0.032 0.000 1.129 185 T HN 0.713 nan 8.240 nan 0.000 0.480 186 P HA 0.303 nan 4.420 nan 0.000 0.269 186 P C -0.407 176.879 177.300 -0.023 0.000 1.215 186 P CA -0.302 62.782 63.100 -0.027 0.000 0.780 186 P CB 0.300 31.982 31.700 -0.031 0.000 0.898 187 E N 0.950 121.139 120.200 -0.018 0.000 2.534 187 E HA -0.170 4.181 4.350 0.001 0.000 0.264 187 E C 1.277 177.869 176.600 -0.015 0.000 0.981 187 E CA 0.581 56.973 56.400 -0.015 0.000 0.948 187 E CB 0.168 29.861 29.700 -0.012 0.000 0.934 187 E HN 0.428 nan 8.360 nan 0.000 0.459 188 E N 3.091 123.283 120.200 -0.013 0.000 2.097 188 E HA -0.330 4.021 4.350 0.001 0.000 0.196 188 E C 1.361 177.956 176.600 -0.009 0.000 1.000 188 E CA 1.466 57.859 56.400 -0.012 0.000 0.804 188 E CB 0.116 29.810 29.700 -0.010 0.000 0.740 188 E HN 0.666 nan 8.360 nan 0.000 0.454 189 E N -0.178 120.018 120.200 -0.007 0.000 2.153 189 E HA -0.192 4.159 4.350 0.001 0.000 0.194 189 E C 1.862 178.460 176.600 -0.003 0.000 0.988 189 E CA 0.782 57.180 56.400 -0.003 0.000 0.811 189 E CB 0.173 29.871 29.700 -0.003 0.000 0.746 189 E HN 0.261 nan 8.360 nan 0.000 0.466 190 E N 0.493 120.689 120.200 -0.007 0.000 2.106 190 E HA -0.143 4.207 4.350 0.001 0.000 0.192 190 E C 2.326 178.922 176.600 -0.008 0.000 0.984 190 E CA 0.511 56.907 56.400 -0.007 0.000 0.806 190 E CB -0.211 29.483 29.700 -0.011 0.000 0.750 190 E HN 0.364 nan 8.360 nan 0.000 0.458 191 L N 0.410 121.625 121.223 -0.014 0.000 2.046 191 L HA -0.148 4.193 4.340 0.001 0.000 0.208 191 L C 2.656 179.523 176.870 -0.005 0.000 1.077 191 L CA 1.150 55.980 54.840 -0.018 0.000 0.747 191 L CB -0.383 41.660 42.059 -0.027 0.000 0.896 191 L HN 0.036 nan 8.230 nan 0.000 0.432 192 R N 0.156 120.656 120.500 -0.001 0.000 2.096 192 R HA -0.140 4.201 4.340 0.001 0.000 0.235 192 R C 2.331 178.641 176.300 0.017 0.000 1.127 192 R CA 1.110 57.215 56.100 0.008 0.000 0.968 192 R CB -0.214 30.091 30.300 0.007 0.000 0.861 192 R HN 0.368 nan 8.270 nan 0.000 0.440 193 K N 0.526 120.935 120.400 0.016 0.000 2.057 193 K HA -0.149 4.172 4.320 0.001 0.000 0.207 193 K C 2.096 178.714 176.600 0.031 0.000 1.049 193 K CA 0.971 57.272 56.287 0.024 0.000 0.931 193 K CB -0.274 32.235 32.500 0.016 0.000 0.714 193 K HN 0.041 nan 8.250 nan 0.000 0.440 194 L N 1.341 122.577 121.223 0.022 0.000 2.017 194 L HA -0.134 4.207 4.340 0.001 0.000 0.208 194 L C 2.234 179.130 176.870 0.044 0.000 1.073 194 L CA 1.902 56.760 54.840 0.030 0.000 0.745 194 L CB -0.818 41.250 42.059 0.015 0.000 0.894 194 L HN 0.120 nan 8.230 nan 0.000 0.432 195 A N -1.030 121.811 122.820 0.034 0.000 1.908 195 A HA -0.308 4.013 4.320 0.001 0.000 0.218 195 A C 2.339 179.937 177.584 0.023 0.000 1.181 195 A CA 1.920 53.978 52.037 0.034 0.000 0.627 195 A CB -0.759 18.253 19.000 0.020 0.000 0.818 195 A HN 0.683 nan 8.150 nan 0.000 0.445 196 Q N -0.631 119.194 119.800 0.041 0.000 2.084 196 Q HA -0.124 4.216 4.340 0.001 0.000 0.202 196 Q C 2.054 178.129 176.000 0.124 0.000 0.978 196 Q CA 1.470 57.320 55.803 0.077 0.000 0.844 196 Q CB -0.221 28.585 28.738 0.114 0.000 0.898 196 Q HN 0.692 nan 8.270 nan 0.000 0.426 197 L N 0.306 121.589 121.223 0.100 0.000 2.017 197 L HA -0.206 4.135 4.340 0.001 0.000 0.208 197 L C 2.220 179.137 176.870 0.078 0.000 1.073 197 L CA 1.148 56.050 54.840 0.104 0.000 0.745 197 L CB -0.181 41.918 42.059 0.066 0.000 0.894 197 L HN 0.382 nan 8.230 nan 0.000 0.432 198 L N -0.509 120.741 121.223 0.044 0.000 2.083 198 L HA -0.235 4.105 4.340 0.001 0.000 0.209 198 L C 2.745 179.584 176.870 -0.051 0.000 1.083 198 L CA 1.229 56.075 54.840 0.011 0.000 0.752 198 L CB -0.588 41.493 42.059 0.038 0.000 0.899 198 L HN 0.333 nan 8.230 nan 0.000 0.433 199 R N -0.214 120.222 120.500 -0.106 0.000 2.120 199 R HA -0.198 4.143 4.340 0.001 0.000 0.234 199 R C 1.125 177.188 176.300 -0.395 0.000 1.123 199 R CA 1.566 57.497 56.100 -0.281 0.000 0.975 199 R CB -0.049 30.025 30.300 -0.376 0.000 0.866 199 R HN 0.301 nan 8.270 nan 0.000 0.446 200 Y N -0.169 120.121 120.300 -0.017 0.000 2.607 200 Y HA 0.383 4.934 4.550 0.001 0.000 0.266 200 Y C -0.110 175.771 175.900 -0.031 0.000 1.178 200 Y CA -0.377 57.710 58.100 -0.022 0.000 1.226 200 Y CB 0.886 39.336 38.460 -0.017 0.000 1.144 200 Y HN -0.091 nan 8.280 nan 0.000 0.528 201 S N -0.633 115.098 115.700 0.053 0.000 2.578 201 S HA 0.723 5.194 4.470 0.001 0.000 0.301 201 S C -0.112 174.464 174.600 -0.039 0.000 1.091 201 S CA -0.702 57.502 58.200 0.007 0.000 1.032 201 S CB 1.848 65.044 63.200 -0.008 0.000 1.064 201 S HN 0.062 nan 8.310 nan 0.000 0.508 202 S N 1.583 117.240 115.700 -0.072 0.000 2.671 202 S HA 0.528 4.998 4.470 0.001 0.000 0.299 202 S C -0.738 173.733 174.600 -0.215 0.000 1.116 202 S CA -1.075 57.059 58.200 -0.110 0.000 0.912 202 S CB 0.837 63.985 63.200 -0.087 0.000 1.130 202 S HN 0.741 nan 8.310 nan 0.000 0.501 203 N N 0.837 119.365 118.700 -0.288 0.000 2.667 203 N HA -0.151 4.590 4.740 0.001 0.000 0.263 203 N C -1.109 173.981 175.510 -0.701 0.000 1.038 203 N CA 0.576 53.174 53.050 -0.753 0.000 0.749 203 N CB -1.405 36.541 38.487 -0.901 0.000 0.892 203 N HN 0.565 nan 8.380 nan 0.000 0.546 204 I N -0.027 120.389 120.570 -0.256 0.000 2.353 204 I HA 0.539 4.710 4.170 0.001 0.000 0.293 204 I C 0.845 177.022 176.117 0.100 0.000 0.992 204 I CA -0.624 60.616 61.300 -0.099 0.000 1.268 204 I CB 1.486 39.435 38.000 -0.086 0.000 1.387 204 I HN 0.287 nan 8.210 nan 0.000 0.478 205 A N 7.269 130.155 122.820 0.110 0.000 2.380 205 A HA 0.876 5.197 4.320 0.001 0.000 0.315 205 A C -0.826 176.790 177.584 0.053 0.000 1.101 205 A CA -0.640 51.486 52.037 0.149 0.000 0.771 205 A CB 1.211 20.333 19.000 0.202 0.000 1.287 205 A HN 0.674 nan 8.150 nan 0.000 0.436 206 L N 1.528 122.767 121.223 0.026 0.000 2.307 206 L HA 0.576 4.917 4.340 0.001 0.000 0.284 206 L C -0.387 176.487 176.870 0.007 0.000 1.023 206 L CA -0.574 54.288 54.840 0.036 0.000 0.810 206 L CB 1.694 43.781 42.059 0.048 0.000 1.231 206 L HN 0.767 nan 8.230 nan 0.000 0.423 207 M N 4.104 123.713 119.600 0.015 0.000 2.066 207 M HA 0.408 4.888 4.480 0.001 0.000 0.340 207 M C -1.195 175.117 176.300 0.021 0.000 1.053 207 M CA -0.103 55.176 55.300 -0.035 0.000 0.983 207 M CB 0.636 33.202 32.600 -0.057 0.000 1.520 207 M HN 0.564 nan 8.290 nan 0.000 0.428 208 C N 3.948 123.265 119.300 0.027 0.000 2.379 208 C HA 0.978 5.438 4.460 0.001 0.000 0.323 208 C C 0.844 175.898 174.990 0.105 0.000 1.262 208 C CA -0.731 58.330 59.018 0.072 0.000 1.581 208 C CB 0.573 28.358 27.740 0.075 0.000 2.221 208 C HN 1.017 nan 8.230 nan 0.000 0.497 209 G N 0.969 109.838 108.800 0.116 0.000 3.075 209 G HA2 0.490 4.451 3.960 0.001 0.000 0.253 209 G HA3 0.490 4.451 3.960 0.001 0.000 0.253 209 G C 0.868 175.860 174.900 0.153 0.000 1.353 209 G CA 0.379 45.569 45.100 0.150 0.000 1.051 209 G HN 0.811 nan 8.290 nan 0.000 0.553 210 S N -1.239 114.572 115.700 0.185 0.000 2.507 210 S HA 0.025 4.495 4.470 0.001 0.000 0.235 210 S C 2.197 176.804 174.600 0.012 0.000 0.988 210 S CA 1.345 59.650 58.200 0.176 0.000 0.944 210 S CB -0.348 63.009 63.200 0.261 0.000 0.762 210 S HN 0.965 nan 8.310 nan 0.000 0.526 211 G N 0.352 109.175 108.800 0.038 0.000 2.498 211 G HA2 -0.146 3.815 3.960 0.001 0.000 0.219 211 G HA3 -0.146 3.815 3.960 0.001 0.000 0.219 211 G C 1.173 176.053 174.900 -0.033 0.000 1.119 211 G CA 0.844 45.940 45.100 -0.008 0.000 0.766 211 G HN 0.659 nan 8.290 nan 0.000 0.552 212 C N 0.955 120.245 119.300 -0.018 0.000 2.576 212 C HA 0.577 5.038 4.460 0.001 0.000 0.267 212 C C 1.982 176.940 174.990 -0.055 0.000 1.364 212 C CA -0.850 58.160 59.018 -0.013 0.000 1.723 212 C CB -1.403 26.358 27.740 0.035 0.000 1.778 212 C HN 0.596 nan 8.230 nan 0.000 0.572 213 A N 0.558 123.239 122.820 -0.232 0.000 2.567 213 A HA 0.397 4.717 4.320 0.001 0.000 0.240 213 A C 1.479 178.998 177.584 -0.109 0.000 1.053 213 A CA 1.199 52.993 52.037 -0.404 0.000 0.755 213 A CB -0.518 17.985 19.000 -0.828 0.000 0.978 213 A HN 1.486 nan 8.150 nan 0.000 0.507 214 G N 0.917 109.726 108.800 0.015 0.000 2.199 214 G HA2 0.051 4.012 3.960 0.001 0.000 0.254 214 G HA3 0.051 4.012 3.960 0.001 0.000 0.254 214 G C 0.761 175.697 174.900 0.060 0.000 0.982 214 G CA 0.789 45.917 45.100 0.047 0.000 0.632 214 G HN 2.203 nan 8.290 nan 0.000 0.529 215 A N -0.249 122.607 122.820 0.060 0.000 2.564 215 A HA 0.548 4.869 4.320 0.001 0.000 0.279 215 A C 1.221 178.846 177.584 0.068 0.000 1.232 215 A CA 1.139 53.202 52.037 0.044 0.000 0.950 215 A CB -0.384 18.615 19.000 -0.001 0.000 1.138 215 A HN 0.604 nan 8.150 nan 0.000 0.526 216 H N 1.303 120.387 119.070 0.024 0.000 2.289 216 H HA -0.194 4.363 4.556 0.001 0.000 0.296 216 H C 1.968 177.295 175.328 -0.002 0.000 1.091 216 H CA 2.278 58.322 56.048 -0.006 0.000 1.274 216 H CB 0.070 29.825 29.762 -0.011 0.000 1.364 216 H HN 0.572 nan 8.280 nan 0.000 0.490 217 K N 0.379 120.869 120.400 0.149 0.000 2.032 217 K HA -0.190 4.131 4.320 0.001 0.000 0.209 217 K C 2.090 178.703 176.600 0.022 0.000 1.048 217 K CA 2.055 58.400 56.287 0.096 0.000 0.927 217 K CB 0.070 32.634 32.500 0.108 0.000 0.712 217 K HN 0.250 nan 8.250 nan 0.000 0.441 218 E N 0.874 121.083 120.200 0.015 0.000 2.072 218 E HA -0.170 4.181 4.350 0.001 0.000 0.191 218 E C 1.774 178.379 176.600 0.008 0.000 0.985 218 E CA 0.850 57.251 56.400 0.002 0.000 0.801 218 E CB -0.232 29.454 29.700 -0.023 0.000 0.750 218 E HN 0.219 nan 8.360 nan 0.000 0.452 219 L N 0.127 121.335 121.223 -0.025 0.000 2.012 219 L HA -0.150 4.191 4.340 0.001 0.000 0.210 219 L C 2.055 178.911 176.870 -0.025 0.000 1.073 219 L CA 1.515 56.351 54.840 -0.007 0.000 0.748 219 L CB -0.488 41.531 42.059 -0.066 0.000 0.891 219 L HN 0.027 nan 8.230 nan 0.000 0.431 220 V N -0.253 119.589 119.914 -0.119 0.000 2.427 220 V HA -0.266 3.855 4.120 0.001 0.000 0.248 220 V C 2.596 178.675 176.094 -0.024 0.000 1.051 220 V CA 1.887 64.149 62.300 -0.063 0.000 1.048 220 V CB -0.566 31.190 31.823 -0.112 0.000 0.666 220 V HN 0.610 nan 8.190 nan 0.000 0.456 221 E N -0.437 119.766 120.200 0.005 0.000 2.072 221 E HA -0.250 4.101 4.350 0.001 0.000 0.191 221 E C 2.110 178.712 176.600 0.004 0.000 0.985 221 E CA 1.429 57.839 56.400 0.017 0.000 0.801 221 E CB -0.175 29.549 29.700 0.041 0.000 0.750 221 E HN 0.525 nan 8.360 nan 0.000 0.452 222 F N 1.341 121.209 119.950 -0.136 0.000 2.075 222 F HA -0.119 4.409 4.527 0.001 0.000 0.297 222 F C 2.097 177.761 175.800 -0.226 0.000 1.113 222 F CA 1.646 59.559 58.000 -0.144 0.000 1.218 222 F CB -0.874 38.058 39.000 -0.112 0.000 0.984 222 F HN 0.080 nan 8.300 nan 0.000 0.472 223 A N 0.267 122.845 122.820 -0.403 0.000 1.908 223 A HA -0.111 4.209 4.320 0.001 0.000 0.218 223 A C 2.513 179.545 177.584 -0.919 0.000 1.181 223 A CA 1.912 53.531 52.037 -0.697 0.000 0.627 223 A CB -1.825 16.784 19.000 -0.652 0.000 0.818 223 A HN 0.533 nan 8.150 nan 0.000 0.445 224 G N -0.812 107.412 108.800 -0.959 0.000 2.408 224 G HA2 -0.217 3.744 3.960 0.001 0.000 0.217 224 G HA3 -0.217 3.744 3.960 0.001 0.000 0.217 224 G C 1.641 176.364 174.900 -0.295 0.000 1.150 224 G CA 1.163 45.872 45.100 -0.651 0.000 0.776 224 G HN 0.577 nan 8.290 nan 0.000 0.542 225 K N 0.433 120.680 120.400 -0.255 0.000 2.025 225 K HA 0.013 4.334 4.320 0.001 0.000 0.207 225 K C 2.318 178.797 176.600 -0.202 0.000 1.049 225 K CA 1.407 57.596 56.287 -0.162 0.000 0.933 225 K CB -0.239 32.209 32.500 -0.088 0.000 0.714 225 K HN 0.502 nan 8.250 nan 0.000 0.438 226 I N -2.583 117.788 120.570 -0.332 0.000 3.883 226 I HA 0.120 4.291 4.170 0.001 0.000 0.326 226 I C -0.761 175.212 176.117 -0.240 0.000 1.283 226 I CA -0.292 60.830 61.300 -0.296 0.000 1.161 226 I CB 0.375 38.130 38.000 -0.408 0.000 1.012 226 I HN -0.043 nan 8.210 nan 0.000 0.421 227 K N 1.539 121.786 120.400 -0.255 0.000 3.393 227 K HA -0.140 4.181 4.320 0.001 0.000 0.272 227 K C -0.202 176.328 176.600 -0.117 0.000 1.004 227 K CA 0.988 57.181 56.287 -0.157 0.000 0.764 227 K CB -2.068 30.400 32.500 -0.053 0.000 1.373 227 K HN 0.654 nan 8.250 nan 0.000 0.458 228 A N 1.564 124.249 122.820 -0.225 0.000 2.304 228 A HA 0.626 4.947 4.320 0.001 0.000 0.314 228 A C -2.104 175.428 177.584 -0.087 0.000 1.187 228 A CA -1.478 50.491 52.037 -0.114 0.000 0.810 228 A CB 1.145 20.026 19.000 -0.199 0.000 1.183 228 A HN 0.029 nan 8.150 nan 0.000 0.487 229 P HA 0.270 nan 4.420 nan 0.000 0.272 229 P C -0.657 176.624 177.300 -0.032 0.000 1.223 229 P CA 0.226 63.305 63.100 -0.036 0.000 0.784 229 P CB 0.823 32.427 31.700 -0.161 0.000 0.923 230 I N 1.757 122.310 120.570 -0.028 0.000 2.404 230 I HA 0.305 4.476 4.170 0.001 0.000 0.293 230 I C 0.449 176.521 176.117 -0.074 0.000 0.992 230 I CA -0.986 60.297 61.300 -0.028 0.000 1.149 230 I CB 2.010 40.016 38.000 0.008 0.000 1.315 230 I HN 0.111 nan 8.210 nan 0.000 0.446 231 V N 6.403 126.253 119.914 -0.107 0.000 2.667 231 V HA 0.583 4.704 4.120 0.001 0.000 0.308 231 V C -0.792 175.204 176.094 -0.163 0.000 1.048 231 V CA -0.196 61.975 62.300 -0.215 0.000 0.928 231 V CB 1.733 33.365 31.823 -0.318 0.000 1.004 231 V HN 0.813 nan 8.190 nan 0.000 0.444 232 H N 4.316 123.284 119.070 -0.171 0.000 2.524 232 H HA 0.822 5.379 4.556 0.002 0.000 0.353 232 H C -0.139 175.105 175.328 -0.141 0.000 1.136 232 H CA -0.367 55.613 56.048 -0.113 0.000 1.193 232 H CB 1.776 31.509 29.762 -0.049 0.000 1.558 232 H HN 0.979 nan 8.280 nan 0.000 0.515 233 A N 2.717 125.557 122.820 0.032 0.000 2.366 233 A HA 0.120 4.441 4.320 0.001 0.000 0.249 233 A C 1.383 179.047 177.584 0.133 0.000 1.084 233 A CA -0.545 51.541 52.037 0.082 0.000 0.794 233 A CB 0.308 19.426 19.000 0.196 0.000 1.034 233 A HN 0.721 nan 8.150 nan 0.000 0.491 234 L N 0.802 122.061 121.223 0.060 0.000 2.043 234 L HA -0.179 4.161 4.340 0.001 0.000 0.212 234 L C 2.354 179.162 176.870 -0.103 0.000 1.075 234 L CA 2.062 56.841 54.840 -0.102 0.000 0.752 234 L CB -0.527 41.316 42.059 -0.361 0.000 0.891 234 L HN 0.757 nan 8.230 nan 0.000 0.432 235 R N -0.871 119.637 120.500 0.014 0.000 2.307 235 R HA 0.064 4.405 4.340 0.001 0.000 0.199 235 R C 1.892 178.316 176.300 0.207 0.000 1.000 235 R CA 0.692 56.877 56.100 0.142 0.000 1.023 235 R CB -0.526 29.927 30.300 0.255 0.000 0.908 235 R HN 0.548 nan 8.270 nan 0.000 0.473 236 G N 1.327 110.237 108.800 0.183 0.000 2.683 236 G HA2 -0.171 3.790 3.960 0.001 0.000 0.213 236 G HA3 -0.171 3.790 3.960 0.001 0.000 0.213 236 G C 1.332 176.269 174.900 0.061 0.000 1.142 236 G CA -0.165 45.059 45.100 0.208 0.000 0.793 236 G HN 0.206 nan 8.290 nan 0.000 0.534 237 K N 1.574 121.955 120.400 -0.031 0.000 2.020 237 K HA -0.219 4.102 4.320 0.001 0.000 0.212 237 K C 2.378 178.880 176.600 -0.163 0.000 1.050 237 K CA 1.980 58.105 56.287 -0.270 0.000 0.929 237 K CB -0.282 32.160 32.500 -0.095 0.000 0.714 237 K HN 0.514 nan 8.250 nan 0.000 0.443 238 E N -0.919 119.201 120.200 -0.132 0.000 2.265 238 E HA -0.208 4.143 4.350 0.001 0.000 0.196 238 E C 1.331 177.873 176.600 -0.097 0.000 0.996 238 E CA 1.138 57.442 56.400 -0.161 0.000 0.832 238 E CB -0.185 29.359 29.700 -0.259 0.000 0.756 238 E HN 0.537 nan 8.360 nan 0.000 0.491 239 H N -0.457 118.714 119.070 0.168 0.000 2.592 239 H HA 0.204 4.761 4.556 0.001 0.000 0.265 239 H C 1.439 176.911 175.328 0.240 0.000 0.955 239 H CA 0.714 56.908 56.048 0.244 0.000 1.175 239 H CB 1.244 31.101 29.762 0.159 0.000 1.433 239 H HN 0.129 nan 8.280 nan 0.000 0.537 240 V N -0.305 119.717 119.914 0.180 0.000 3.350 240 V HA 0.014 4.134 4.120 0.001 0.000 0.246 240 V C 1.034 177.074 176.094 -0.090 0.000 1.363 240 V CA 0.082 62.396 62.300 0.024 0.000 1.162 240 V CB 1.137 32.960 31.823 -0.001 0.000 0.947 240 V HN 0.147 nan 8.190 nan 0.000 0.454 241 E N 1.415 121.554 120.200 -0.102 0.000 2.325 241 E HA 0.255 4.605 4.350 0.001 0.000 0.295 241 E C -1.131 175.563 176.600 0.156 0.000 1.461 241 E CA -0.219 56.135 56.400 -0.076 0.000 1.698 241 E CB -0.038 29.514 29.700 -0.245 0.000 1.496 241 E HN 0.682 nan 8.360 nan 0.000 0.474 242 Y N -2.861 117.485 120.300 0.077 0.000 2.662 242 Y HA 0.220 4.770 4.550 0.001 0.000 0.334 242 Y C -0.657 175.335 175.900 0.153 0.000 1.185 242 Y CA -1.655 56.483 58.100 0.065 0.000 1.074 242 Y CB 0.423 38.881 38.460 -0.003 0.000 1.330 242 Y HN -0.065 nan 8.280 nan 0.000 0.458 243 D N 1.741 122.248 120.400 0.178 0.000 2.720 243 D HA -0.234 4.406 4.640 0.001 0.000 0.229 243 D C -0.837 175.513 176.300 0.083 0.000 1.198 243 D CA 1.548 55.624 54.000 0.127 0.000 0.639 243 D CB -0.799 40.106 40.800 0.176 0.000 1.003 243 D HN 0.683 nan 8.370 nan 0.000 0.411 244 N N 0.155 118.852 118.700 -0.004 0.000 2.653 244 N HA 0.166 4.907 4.740 0.001 0.000 0.261 244 N C -2.148 173.256 175.510 -0.175 0.000 1.216 244 N CA -1.450 51.553 53.050 -0.077 0.000 0.784 244 N CB 1.311 39.748 38.487 -0.085 0.000 1.327 244 N HN -0.190 nan 8.380 nan 0.000 0.539 245 P HA 0.023 nan 4.420 nan 0.000 0.242 245 P C 0.197 177.123 177.300 -0.623 0.000 1.197 245 P CA 0.702 63.509 63.100 -0.489 0.000 0.765 245 P CB 0.049 31.390 31.700 -0.598 0.000 0.936 246 Y N -0.820 119.409 120.300 -0.119 0.000 2.478 246 Y HA 0.177 4.728 4.550 0.001 0.000 0.261 246 Y C 1.176 176.965 175.900 -0.184 0.000 1.127 246 Y CA -0.751 57.266 58.100 -0.139 0.000 1.288 246 Y CB -0.325 38.062 38.460 -0.122 0.000 1.084 246 Y HN -0.034 nan 8.280 nan 0.000 0.530 247 D N 0.689 121.015 120.400 -0.123 0.000 2.348 247 D HA 0.068 4.708 4.640 0.001 0.000 0.253 247 D C 0.307 176.339 176.300 -0.447 0.000 1.161 247 D CA 0.381 54.282 54.000 -0.166 0.000 0.876 247 D CB 1.849 42.602 40.800 -0.079 0.000 1.160 247 D HN 0.036 nan 8.370 nan 0.000 0.459 248 V N 3.350 123.043 119.914 -0.367 0.000 3.253 248 V HA 0.336 4.457 4.120 0.001 0.000 0.320 248 V C 0.863 176.845 176.094 -0.187 0.000 1.442 248 V CA 0.812 62.842 62.300 -0.449 0.000 1.097 248 V CB -0.066 31.624 31.823 -0.221 0.000 1.008 248 V HN 0.937 nan 8.190 nan 0.000 0.463 249 G N 0.776 109.449 108.800 -0.211 0.000 2.418 249 G HA2 -0.121 3.840 3.960 0.001 0.000 0.206 249 G HA3 -0.121 3.840 3.960 0.001 0.000 0.206 249 G C -0.576 173.762 174.900 -0.936 0.000 1.202 249 G CA -0.111 44.751 45.100 -0.397 0.000 1.061 249 G HN 0.195 nan 8.290 nan 0.000 0.563 250 M N 0.698 119.563 119.600 -1.224 0.000 2.619 250 M HA 0.604 5.084 4.480 0.001 0.000 0.297 250 M C 0.456 176.333 176.300 -0.704 0.000 1.229 250 M CA -0.532 54.232 55.300 -0.893 0.000 0.860 250 M CB 2.569 34.767 32.600 -0.670 0.000 1.741 250 M HN 0.895 nan 8.290 nan 0.000 0.462 251 T N -1.205 113.032 114.554 -0.528 0.000 2.855 251 T HA 0.930 5.281 4.350 0.001 0.000 0.275 251 T C 0.333 174.790 174.700 -0.406 0.000 1.022 251 T CA -0.182 61.695 62.100 -0.372 0.000 0.977 251 T CB 1.127 69.820 68.868 -0.292 0.000 1.559 251 T HN 1.106 nan 8.240 nan 0.000 0.600 252 G N -0.719 107.588 108.800 -0.822 0.000 2.756 252 G HA2 -0.130 3.831 3.960 0.001 0.000 0.678 252 G HA3 -0.130 3.831 3.960 0.001 0.000 0.678 252 G C 0.370 174.787 174.900 -0.805 0.000 1.349 252 G CA -0.268 44.072 45.100 -1.266 0.000 0.847 252 G HN 0.801 nan 8.290 nan 0.000 0.548 253 L N 0.194 121.046 121.223 -0.618 0.000 2.187 253 L HA -0.023 4.318 4.340 0.001 0.000 0.213 253 L C 2.711 179.455 176.870 -0.210 0.000 1.100 253 L CA 2.074 56.760 54.840 -0.257 0.000 0.765 253 L CB -0.355 41.582 42.059 -0.204 0.000 0.904 253 L HN 0.678 nan 8.230 nan 0.000 0.437 254 I N -3.560 116.863 120.570 -0.245 0.000 3.883 254 I HA 0.282 4.453 4.170 0.001 0.000 0.326 254 I C 1.294 177.367 176.117 -0.073 0.000 1.283 254 I CA -0.162 61.045 61.300 -0.155 0.000 1.161 254 I CB -0.493 37.398 38.000 -0.182 0.000 1.012 254 I HN -0.026 nan 8.210 nan 0.000 0.421 255 G N 1.714 110.424 108.800 -0.149 0.000 2.489 255 G HA2 0.452 4.413 3.960 0.001 0.000 0.271 255 G HA3 0.452 4.413 3.960 0.001 0.000 0.271 255 G C -0.524 174.399 174.900 0.037 0.000 1.427 255 G CA -0.267 44.713 45.100 -0.200 0.000 1.057 255 G HN 0.408 nan 8.290 nan 0.000 0.532 256 F N -3.420 116.477 119.950 -0.089 0.000 2.726 256 F HA 0.539 5.067 4.527 0.001 0.000 0.324 256 F C 1.433 177.212 175.800 -0.035 0.000 1.140 256 F CA -0.517 57.443 58.000 -0.066 0.000 0.964 256 F CB 0.960 39.924 39.000 -0.059 0.000 1.399 256 F HN 0.471 nan 8.300 nan 0.000 0.491 257 S N 0.051 115.857 115.700 0.177 0.000 2.365 257 S HA -0.247 4.224 4.470 0.001 0.000 0.225 257 S C 1.858 176.495 174.600 0.062 0.000 1.039 257 S CA 1.896 60.115 58.200 0.032 0.000 1.033 257 S CB -1.413 61.838 63.200 0.086 0.000 0.887 257 S HN 0.856 nan 8.310 nan 0.000 0.447 258 S N 2.274 118.084 115.700 0.183 0.000 2.356 258 S HA 0.022 4.492 4.470 0.001 0.000 0.223 258 S C 2.176 176.784 174.600 0.014 0.000 1.032 258 S CA 1.076 59.376 58.200 0.166 0.000 1.005 258 S CB -1.757 61.621 63.200 0.298 0.000 0.867 258 S HN 0.725 nan 8.310 nan 0.000 0.449 259 G N 0.958 109.670 108.800 -0.147 0.000 2.421 259 G HA2 -0.154 3.806 3.960 0.001 0.000 0.216 259 G HA3 -0.154 3.806 3.960 0.001 0.000 0.216 259 G C 1.211 176.019 174.900 -0.154 0.000 1.171 259 G CA 0.865 45.799 45.100 -0.276 0.000 0.775 259 G HN 0.521 nan 8.290 nan 0.000 0.543 260 F N 1.290 121.097 119.950 -0.237 0.000 2.069 260 F HA -0.129 4.399 4.527 0.001 0.000 0.298 260 F C 2.772 178.524 175.800 -0.079 0.000 1.113 260 F CA 2.111 60.018 58.000 -0.156 0.000 1.214 260 F CB -0.331 38.560 39.000 -0.182 0.000 0.978 260 F HN 0.177 nan 8.300 nan 0.000 0.474 261 H N -0.448 118.605 119.070 -0.028 0.000 2.387 261 H HA -0.087 4.470 4.556 0.001 0.000 0.299 261 H C 2.314 177.580 175.328 -0.104 0.000 1.090 261 H CA 1.860 57.839 56.048 -0.115 0.000 1.332 261 H CB -1.133 28.668 29.762 0.065 0.000 1.386 261 H HN 0.286 nan 8.280 nan 0.000 0.516 262 T N 1.430 116.001 114.554 0.027 0.000 2.746 262 T HA -0.124 4.227 4.350 0.001 0.000 0.267 262 T C 2.271 177.017 174.700 0.077 0.000 1.039 262 T CA 0.966 63.072 62.100 0.009 0.000 1.142 262 T CB -0.053 68.750 68.868 -0.109 0.000 0.866 262 T HN 0.160 nan 8.240 nan 0.000 0.444 263 M N 0.419 119.979 119.600 -0.066 0.000 2.086 263 M HA 0.008 4.489 4.480 0.001 0.000 0.261 263 M C 2.309 178.555 176.300 -0.089 0.000 1.067 263 M CA 1.396 56.639 55.300 -0.095 0.000 1.116 263 M CB -0.732 31.747 32.600 -0.202 0.000 1.348 263 M HN 0.231 nan 8.290 nan 0.000 0.407 264 M N 0.206 119.678 119.600 -0.213 0.000 2.213 264 M HA -0.146 4.335 4.480 0.001 0.000 0.263 264 M C 1.309 177.573 176.300 -0.060 0.000 1.062 264 M CA 1.427 56.606 55.300 -0.202 0.000 1.105 264 M CB -1.523 30.821 32.600 -0.426 0.000 1.385 264 M HN 0.234 nan 8.290 nan 0.000 0.417 265 N N 0.264 118.976 118.700 0.021 0.000 2.373 265 N HA 0.156 4.897 4.740 0.001 0.000 0.181 265 N C 0.360 175.883 175.510 0.022 0.000 1.082 265 N CA 0.186 53.280 53.050 0.072 0.000 0.885 265 N CB -0.092 38.496 38.487 0.168 0.000 0.977 265 N HN 0.183 nan 8.380 nan 0.000 0.462 266 A N 0.729 123.565 122.820 0.026 0.000 2.531 266 A HA 0.054 4.375 4.320 0.001 0.000 0.236 266 A C 0.624 178.079 177.584 -0.216 0.000 1.062 266 A CA 0.144 52.047 52.037 -0.223 0.000 0.760 266 A CB 0.306 19.281 19.000 -0.042 0.000 0.995 266 A HN 0.040 nan 8.150 nan 0.000 0.501 267 D N 0.096 120.308 120.400 -0.313 0.000 2.346 267 D HA 0.107 4.748 4.640 0.001 0.000 0.206 267 D C -0.112 176.114 176.300 -0.124 0.000 1.001 267 D CA 1.284 55.175 54.000 -0.183 0.000 0.871 267 D CB 0.387 41.073 40.800 -0.189 0.000 0.943 267 D HN 0.502 nan 8.370 nan 0.000 0.518 268 T N 0.714 115.185 114.554 -0.137 0.000 2.971 268 T HA 0.465 4.815 4.350 0.001 0.000 0.304 268 T C -1.185 173.492 174.700 -0.038 0.000 1.038 268 T CA -0.585 61.474 62.100 -0.069 0.000 1.007 268 T CB 2.307 71.135 68.868 -0.067 0.000 1.055 268 T HN -0.169 nan 8.240 nan 0.000 0.451 269 L N 3.971 125.200 121.223 0.009 0.000 2.381 269 L HA 0.766 5.107 4.340 0.001 0.000 0.274 269 L C -1.280 175.628 176.870 0.064 0.000 0.988 269 L CA -0.635 54.232 54.840 0.046 0.000 0.824 269 L CB 1.777 43.885 42.059 0.081 0.000 1.263 269 L HN 0.499 nan 8.230 nan 0.000 0.410 270 V N 6.356 126.316 119.914 0.076 0.000 2.334 270 V HA 0.384 4.505 4.120 0.001 0.000 0.281 270 V C 0.033 176.187 176.094 0.100 0.000 1.016 270 V CA -0.589 61.768 62.300 0.096 0.000 0.832 270 V CB 1.262 33.172 31.823 0.145 0.000 0.999 270 V HN 0.561 nan 8.190 nan 0.000 0.439 271 L N 6.474 127.757 121.223 0.100 0.000 2.283 271 L HA 0.454 4.795 4.340 0.001 0.000 0.287 271 L C -0.460 176.460 176.870 0.084 0.000 1.073 271 L CA -0.091 54.818 54.840 0.114 0.000 0.822 271 L CB 0.478 42.623 42.059 0.144 0.000 1.186 271 L HN 0.457 nan 8.230 nan 0.000 0.436 272 L N 3.889 125.159 121.223 0.079 0.000 2.295 272 L HA 0.407 4.747 4.340 0.001 0.000 0.281 272 L C 0.960 177.863 176.870 0.056 0.000 1.018 272 L CA -0.510 54.362 54.840 0.052 0.000 0.841 272 L CB 1.399 43.486 42.059 0.047 0.000 1.218 272 L HN 0.879 nan 8.230 nan 0.000 0.424 273 G N 1.773 110.600 108.800 0.045 0.000 2.371 273 G HA2 -0.252 3.708 3.960 0.001 0.000 0.299 273 G HA3 -0.252 3.708 3.960 0.001 0.000 0.299 273 G C 0.051 175.004 174.900 0.088 0.000 1.014 273 G CA 0.780 45.907 45.100 0.046 0.000 1.097 273 G HN 0.607 nan 8.290 nan 0.000 0.512 274 T N -1.374 113.251 114.554 0.118 0.000 2.903 274 T HA 0.655 5.006 4.350 0.001 0.000 0.299 274 T C 0.448 175.277 174.700 0.215 0.000 1.093 274 T CA -0.362 61.842 62.100 0.173 0.000 1.002 274 T CB 1.746 70.727 68.868 0.189 0.000 1.127 274 T HN 0.209 nan 8.240 nan 0.000 0.488 275 Q N 1.895 121.840 119.800 0.241 0.000 2.118 275 Q HA 0.276 4.616 4.340 0.001 0.000 0.219 275 Q C -0.514 175.577 176.000 0.151 0.000 0.794 275 Q CA -0.473 55.484 55.803 0.257 0.000 1.035 275 Q CB 0.416 29.285 28.738 0.218 0.000 1.177 275 Q HN 0.715 nan 8.270 nan 0.000 0.478 276 F N 3.897 123.874 119.950 0.044 0.000 2.460 276 F HA -0.069 4.458 4.527 0.001 0.000 0.413 276 F C -1.721 173.919 175.800 -0.266 0.000 0.967 276 F CA -0.645 57.305 58.000 -0.082 0.000 1.122 276 F CB 0.956 39.937 39.000 -0.032 0.000 0.927 276 F HN 0.085 nan 8.300 nan 0.000 0.527 277 P HA -0.014 nan 4.420 nan 0.000 0.257 277 P C -0.841 175.873 177.300 -0.976 0.000 1.241 277 P CA 0.487 62.727 63.100 -1.433 0.000 0.816 277 P CB 0.044 30.987 31.700 -1.263 0.000 1.150 278 Y N 0.886 120.769 120.300 -0.696 0.000 2.650 278 Y HA 0.322 4.872 4.550 0.001 0.000 0.343 278 Y C 1.888 177.945 175.900 0.262 0.000 1.078 278 Y CA -0.402 57.583 58.100 -0.193 0.000 1.356 278 Y CB -0.045 38.272 38.460 -0.237 0.000 1.204 278 Y HN -0.236 nan 8.280 nan 0.000 0.508 279 R N 1.707 122.437 120.500 0.382 0.000 2.127 279 R HA -0.178 4.163 4.340 0.001 0.000 0.238 279 R C 2.029 178.595 176.300 0.443 0.000 1.134 279 R CA 1.334 57.716 56.100 0.471 0.000 0.975 279 R CB -0.102 30.371 30.300 0.287 0.000 0.865 279 R HN 0.727 nan 8.270 nan 0.000 0.447 280 A N -0.244 122.759 122.820 0.305 0.000 2.209 280 A HA -0.031 4.290 4.320 0.001 0.000 0.212 280 A C 1.270 178.857 177.584 0.005 0.000 1.158 280 A CA 0.681 52.776 52.037 0.096 0.000 0.742 280 A CB -0.274 18.690 19.000 -0.060 0.000 0.790 280 A HN 0.224 nan 8.150 nan 0.000 0.472 281 F N -1.971 118.138 119.950 0.265 0.000 2.765 281 F HA 0.221 4.750 4.527 0.003 0.000 0.302 281 F C 0.267 176.083 175.800 0.027 0.000 1.111 281 F CA -0.161 57.949 58.000 0.183 0.000 1.359 281 F CB -0.151 39.017 39.000 0.279 0.000 1.097 281 F HN 0.138 nan 8.300 nan 0.000 0.577 282 Y N 1.877 122.347 120.300 0.284 0.000 2.307 282 Y HA 0.286 4.837 4.550 0.001 0.000 0.324 282 Y C -1.770 174.170 175.900 0.066 0.000 1.238 282 Y CA -2.905 55.289 58.100 0.157 0.000 1.280 282 Y CB -0.071 38.489 38.460 0.167 0.000 1.248 282 Y HN -0.213 nan 8.280 nan 0.000 0.508 283 P HA 0.125 nan 4.420 nan 0.000 0.276 283 P C -0.159 177.191 177.300 0.084 0.000 1.244 283 P CA -0.219 62.930 63.100 0.082 0.000 0.801 283 P CB 1.526 33.249 31.700 0.039 0.000 1.006 284 T N -0.109 114.473 114.554 0.046 0.000 2.852 284 T HA -0.050 4.301 4.350 0.001 0.000 0.256 284 T C 0.398 175.109 174.700 0.019 0.000 1.038 284 T CA 1.435 63.557 62.100 0.036 0.000 1.141 284 T CB -0.573 68.311 68.868 0.026 0.000 0.869 284 T HN 0.567 nan 8.240 nan 0.000 0.439 285 D N 1.585 121.990 120.400 0.008 0.000 3.072 285 D HA 0.525 5.166 4.640 0.001 0.000 0.250 285 D C -0.316 175.976 176.300 -0.013 0.000 1.304 285 D CA -0.382 53.616 54.000 -0.004 0.000 0.861 285 D CB -0.284 40.510 40.800 -0.010 0.000 1.062 285 D HN 0.334 nan 8.370 nan 0.000 0.481 286 A N 0.301 123.118 122.820 -0.005 0.000 2.435 286 A HA 0.535 4.856 4.320 0.001 0.000 0.304 286 A C -0.248 177.332 177.584 -0.007 0.000 1.064 286 A CA -1.026 51.002 52.037 -0.014 0.000 0.727 286 A CB 1.528 20.524 19.000 -0.006 0.000 1.284 286 A HN 0.053 nan 8.150 nan 0.000 0.415 287 K N 1.302 121.693 120.400 -0.014 0.000 2.339 287 K HA 0.417 4.738 4.320 0.001 0.000 0.286 287 K C -1.024 175.579 176.600 0.004 0.000 1.050 287 K CA 0.453 56.737 56.287 -0.006 0.000 0.956 287 K CB 0.505 33.001 32.500 -0.007 0.000 0.990 287 K HN 0.553 nan 8.250 nan 0.000 0.475 288 I N 5.195 125.769 120.570 0.006 0.000 2.406 288 I HA 0.342 4.512 4.170 0.001 0.000 0.290 288 I C -0.253 175.872 176.117 0.013 0.000 0.999 288 I CA -0.761 60.548 61.300 0.016 0.000 1.124 288 I CB 1.329 39.331 38.000 0.002 0.000 1.289 288 I HN 0.382 nan 8.210 nan 0.000 0.441 289 I N 5.824 126.411 120.570 0.029 0.000 2.433 289 I HA 0.385 4.556 4.170 0.001 0.000 0.292 289 I C -0.422 175.716 176.117 0.035 0.000 1.001 289 I CA -0.447 60.870 61.300 0.029 0.000 1.119 289 I CB 1.910 39.935 38.000 0.042 0.000 1.289 289 I HN 0.564 nan 8.210 nan 0.000 0.438 290 Q N 6.655 126.468 119.800 0.022 0.000 2.323 290 Q HA 0.648 4.989 4.340 0.001 0.000 0.271 290 Q C -1.740 174.268 176.000 0.013 0.000 1.048 290 Q CA -0.570 55.249 55.803 0.026 0.000 0.792 290 Q CB 2.239 30.989 28.738 0.020 0.000 1.280 290 Q HN 0.609 nan 8.270 nan 0.000 0.441 291 I N 3.168 123.745 120.570 0.013 0.000 2.406 291 I HA 0.520 4.691 4.170 0.001 0.000 0.290 291 I C -0.796 175.320 176.117 -0.002 0.000 0.999 291 I CA -0.623 60.673 61.300 -0.007 0.000 1.124 291 I CB 1.756 39.739 38.000 -0.029 0.000 1.289 291 I HN 0.629 nan 8.210 nan 0.000 0.441 292 D N 4.842 125.237 120.400 -0.009 0.000 2.654 292 D HA 0.311 4.952 4.640 0.001 0.000 0.231 292 D C 0.347 176.634 176.300 -0.021 0.000 1.239 292 D CA -0.464 53.530 54.000 -0.009 0.000 0.790 292 D CB 2.531 43.333 40.800 0.002 0.000 1.480 292 D HN 0.527 nan 8.370 nan 0.000 0.442 293 I N -0.466 120.086 120.570 -0.030 0.000 3.059 293 I HA 0.183 4.354 4.170 0.001 0.000 0.270 293 I C 0.703 176.801 176.117 -0.031 0.000 1.238 293 I CA 0.118 61.399 61.300 -0.032 0.000 1.478 293 I CB -0.129 37.849 38.000 -0.038 0.000 1.097 293 I HN -0.034 nan 8.210 nan 0.000 0.455 294 N N 1.825 120.504 118.700 -0.034 0.000 2.476 294 N HA 0.300 5.041 4.740 0.001 0.000 0.257 294 N C -1.986 173.514 175.510 -0.018 0.000 0.970 294 N CA -2.525 50.507 53.050 -0.031 0.000 0.938 294 N CB 1.731 40.188 38.487 -0.050 0.000 1.144 294 N HN -0.205 nan 8.380 nan 0.000 0.500 295 P HA -0.103 nan 4.420 nan 0.000 0.217 295 P C 0.691 177.984 177.300 -0.011 0.000 1.148 295 P CA 1.123 64.217 63.100 -0.011 0.000 0.828 295 P CB 0.266 31.961 31.700 -0.008 0.000 0.783 296 A N -1.057 121.760 122.820 -0.005 0.000 2.121 296 A HA -0.088 4.233 4.320 0.001 0.000 0.218 296 A C 2.173 179.749 177.584 -0.012 0.000 1.154 296 A CA 1.561 53.596 52.037 -0.004 0.000 0.679 296 A CB -1.111 17.898 19.000 0.015 0.000 0.795 296 A HN 0.136 nan 8.150 nan 0.000 0.458 297 S N -0.594 115.103 115.700 -0.005 0.000 2.501 297 S HA 0.214 4.685 4.470 0.001 0.000 0.220 297 S C 0.598 175.192 174.600 -0.009 0.000 0.997 297 S CA -0.112 58.094 58.200 0.010 0.000 0.919 297 S CB -0.185 63.034 63.200 0.032 0.000 0.778 297 S HN 0.505 nan 8.310 nan 0.000 0.523 298 I N 2.135 122.693 120.570 -0.020 0.000 2.363 298 I HA 0.270 4.441 4.170 0.001 0.000 0.292 298 I C 1.278 177.365 176.117 -0.051 0.000 1.075 298 I CA 0.075 61.360 61.300 -0.025 0.000 1.333 298 I CB 0.379 38.367 38.000 -0.019 0.000 1.415 298 I HN 0.362 nan 8.210 nan 0.000 0.502 299 G N 4.496 113.256 108.800 -0.067 0.000 2.141 299 G HA2 -0.302 3.659 3.960 0.001 0.000 0.242 299 G HA3 -0.302 3.659 3.960 0.001 0.000 0.242 299 G C 0.979 175.789 174.900 -0.151 0.000 0.982 299 G CA 0.301 45.343 45.100 -0.096 0.000 0.662 299 G HN 0.777 nan 8.290 nan 0.000 0.527 300 A N -0.485 122.209 122.820 -0.210 0.000 2.014 300 A HA 0.214 4.534 4.320 0.001 0.000 0.218 300 A C 1.557 178.722 177.584 -0.699 0.000 1.163 300 A CA 1.873 53.640 52.037 -0.450 0.000 0.652 300 A CB -0.233 18.446 19.000 -0.534 0.000 0.808 300 A HN 0.707 nan 8.150 nan 0.000 0.449 301 H N -1.433 117.606 119.070 -0.051 0.000 2.885 301 H HA 0.287 4.843 4.556 0.001 0.000 0.254 301 H C -0.300 174.878 175.328 -0.250 0.000 1.185 301 H CA 0.613 56.634 56.048 -0.046 0.000 1.029 301 H CB 0.120 29.943 29.762 0.101 0.000 1.743 301 H HN 0.553 nan 8.280 nan 0.000 0.632 302 S N 0.219 115.771 115.700 -0.246 0.000 2.595 302 S HA 0.343 4.814 4.470 0.001 0.000 0.270 302 S C -0.788 173.701 174.600 -0.185 0.000 1.145 302 S CA -1.193 56.806 58.200 -0.336 0.000 0.825 302 S CB 2.538 65.276 63.200 -0.770 0.000 1.107 302 S HN 0.309 nan 8.310 nan 0.000 0.461 303 K N 0.261 120.586 120.400 -0.126 0.000 2.286 303 K HA 0.626 4.947 4.320 0.001 0.000 0.256 303 K C -0.861 175.690 176.600 -0.082 0.000 0.999 303 K CA -0.626 55.613 56.287 -0.079 0.000 0.908 303 K CB 0.370 32.842 32.500 -0.047 0.000 0.981 303 K HN 0.466 nan 8.250 nan 0.000 0.500 304 V N 2.171 122.052 119.914 -0.054 0.000 2.569 304 V HA 0.066 4.187 4.120 0.001 0.000 0.301 304 V C -0.293 175.786 176.094 -0.024 0.000 1.044 304 V CA -0.706 61.570 62.300 -0.040 0.000 0.874 304 V CB 1.564 33.364 31.823 -0.039 0.000 1.002 304 V HN 0.939 nan 8.190 nan 0.000 0.424 305 D N 3.406 123.796 120.400 -0.016 0.000 2.271 305 D HA 0.117 4.758 4.640 0.001 0.000 0.206 305 D C 0.428 176.725 176.300 -0.006 0.000 0.967 305 D CA 0.987 54.981 54.000 -0.010 0.000 0.867 305 D CB 0.888 41.684 40.800 -0.006 0.000 0.960 305 D HN 0.422 nan 8.370 nan 0.000 0.509 306 M N 0.628 120.227 119.600 -0.003 0.000 2.277 306 M HA 0.461 4.942 4.480 0.001 0.000 0.282 306 M C -2.178 174.121 176.300 -0.002 0.000 1.074 306 M CA -0.417 54.883 55.300 -0.000 0.000 0.954 306 M CB 2.480 35.084 32.600 0.007 0.000 1.672 306 M HN -0.197 nan 8.290 nan 0.000 0.471 307 A N 4.928 127.745 122.820 -0.006 0.000 2.342 307 A HA 0.898 5.219 4.320 0.001 0.000 0.323 307 A C -1.804 175.774 177.584 -0.009 0.000 1.125 307 A CA -0.568 51.464 52.037 -0.008 0.000 0.785 307 A CB 1.127 20.119 19.000 -0.012 0.000 1.221 307 A HN 0.739 nan 8.150 nan 0.000 0.463 308 L N 1.877 123.093 121.223 -0.011 0.000 2.431 308 L HA 0.508 4.849 4.340 0.001 0.000 0.266 308 L C -0.516 176.343 176.870 -0.019 0.000 0.978 308 L CA -0.490 54.340 54.840 -0.017 0.000 0.822 308 L CB 2.094 44.139 42.059 -0.023 0.000 1.310 308 L HN 0.400 nan 8.230 nan 0.000 0.409 309 V N 1.880 121.782 119.914 -0.020 0.000 2.383 309 V HA 0.932 5.053 4.120 0.001 0.000 0.275 309 V C 0.515 176.594 176.094 -0.026 0.000 1.036 309 V CA -0.083 62.204 62.300 -0.021 0.000 0.889 309 V CB 0.772 32.584 31.823 -0.018 0.000 0.985 309 V HN 0.914 nan 8.190 nan 0.000 0.459 310 G N 3.402 112.184 108.800 -0.029 0.000 2.489 310 G HA2 0.461 4.422 3.960 0.001 0.000 0.291 310 G HA3 0.461 4.422 3.960 0.001 0.000 0.291 310 G C -1.734 173.144 174.900 -0.037 0.000 1.487 310 G CA -0.768 44.311 45.100 -0.035 0.000 0.795 310 G HN 0.764 nan 8.290 nan 0.000 0.513 311 D N 0.209 120.587 120.400 -0.037 0.000 2.304 311 D HA 0.314 4.955 4.640 0.001 0.000 0.250 311 D C 1.509 177.780 176.300 -0.048 0.000 1.107 311 D CA -0.709 53.269 54.000 -0.037 0.000 0.885 311 D CB 0.660 41.443 40.800 -0.029 0.000 1.192 311 D HN 0.101 nan 8.370 nan 0.000 0.436 312 I N 3.123 123.663 120.570 -0.049 0.000 2.163 312 I HA -0.198 3.973 4.170 0.001 0.000 0.243 312 I C 2.203 178.276 176.117 -0.073 0.000 1.085 312 I CA 1.358 62.619 61.300 -0.065 0.000 1.347 312 I CB -1.176 36.794 38.000 -0.050 0.000 1.044 312 I HN 0.713 nan 8.210 nan 0.000 0.408 313 K N 1.113 121.483 120.400 -0.049 0.000 2.009 313 K HA -0.216 4.105 4.320 0.001 0.000 0.210 313 K C 2.389 178.960 176.600 -0.050 0.000 1.049 313 K CA 2.384 58.647 56.287 -0.041 0.000 0.929 313 K CB -0.028 32.460 32.500 -0.020 0.000 0.714 313 K HN 0.394 nan 8.250 nan 0.000 0.440 314 S N -0.521 115.153 115.700 -0.044 0.000 2.406 314 S HA -0.080 4.390 4.470 0.001 0.000 0.228 314 S C 1.901 176.464 174.600 -0.062 0.000 1.020 314 S CA 1.514 59.688 58.200 -0.043 0.000 0.965 314 S CB -0.444 62.738 63.200 -0.030 0.000 0.798 314 S HN 0.336 nan 8.310 nan 0.000 0.488 315 T N 3.396 117.903 114.554 -0.078 0.000 2.674 315 T HA 0.068 4.418 4.350 0.001 0.000 0.265 315 T C 1.750 176.358 174.700 -0.152 0.000 1.039 315 T CA 1.625 63.663 62.100 -0.104 0.000 1.150 315 T CB -0.584 68.217 68.868 -0.111 0.000 0.864 315 T HN 0.325 nan 8.240 nan 0.000 0.427 316 L N 0.227 121.338 121.223 -0.187 0.000 2.083 316 L HA -0.065 4.275 4.340 0.001 0.000 0.209 316 L C 2.916 179.695 176.870 -0.151 0.000 1.083 316 L CA 1.283 55.969 54.840 -0.256 0.000 0.752 316 L CB -0.495 41.402 42.059 -0.271 0.000 0.899 316 L HN 0.164 nan 8.230 nan 0.000 0.433 317 R N -0.130 120.314 120.500 -0.093 0.000 2.096 317 R HA -0.132 4.209 4.340 0.001 0.000 0.235 317 R C 2.370 178.640 176.300 -0.051 0.000 1.127 317 R CA 1.406 57.473 56.100 -0.055 0.000 0.968 317 R CB -0.317 29.962 30.300 -0.036 0.000 0.861 317 R HN 0.357 nan 8.270 nan 0.000 0.440 318 A N 0.367 123.150 122.820 -0.061 0.000 2.016 318 A HA -0.068 4.253 4.320 0.001 0.000 0.217 318 A C 1.919 179.471 177.584 -0.053 0.000 1.162 318 A CA 0.629 52.637 52.037 -0.048 0.000 0.662 318 A CB -0.156 18.816 19.000 -0.046 0.000 0.812 318 A HN 0.222 nan 8.150 nan 0.000 0.450 319 L N -0.434 120.737 121.223 -0.087 0.000 2.095 319 L HA 0.080 4.420 4.340 0.001 0.000 0.204 319 L C 2.173 179.017 176.870 -0.043 0.000 1.080 319 L CA 1.319 56.107 54.840 -0.087 0.000 0.759 319 L CB -0.527 41.424 42.059 -0.180 0.000 0.914 319 L HN 0.352 nan 8.230 nan 0.000 0.439 320 L N 0.091 121.287 121.223 -0.044 0.000 2.021 320 L HA -0.220 4.121 4.340 0.001 0.000 0.215 320 L C -0.329 176.556 176.870 0.024 0.000 1.074 320 L CA 1.779 56.631 54.840 0.021 0.000 0.760 320 L CB -1.815 40.255 42.059 0.019 0.000 0.889 320 L HN 0.291 nan 8.230 nan 0.000 0.433 321 P HA -0.109 nan 4.420 nan 0.000 0.226 321 P C 1.598 178.901 177.300 0.005 0.000 1.153 321 P CA 1.160 64.263 63.100 0.005 0.000 0.777 321 P CB 0.082 31.781 31.700 -0.001 0.000 0.794 322 L N -2.017 119.208 121.223 0.005 0.000 2.446 322 L HA 0.058 4.399 4.340 0.001 0.000 0.219 322 L C 0.641 177.517 176.870 0.010 0.000 1.116 322 L CA 0.177 55.020 54.840 0.004 0.000 0.844 322 L CB -0.160 41.900 42.059 0.001 0.000 0.970 322 L HN -0.239 nan 8.230 nan 0.000 0.457 323 V N 0.855 120.786 119.914 0.028 0.000 2.406 323 V HA 0.100 4.220 4.120 0.001 0.000 0.272 323 V C 0.387 176.486 176.094 0.007 0.000 1.043 323 V CA -0.528 61.794 62.300 0.037 0.000 0.915 323 V CB 1.352 33.244 31.823 0.115 0.000 0.988 323 V HN 0.155 nan 8.190 nan 0.000 0.466 324 E N 3.397 123.583 120.200 -0.024 0.000 2.354 324 E HA 0.141 4.492 4.350 0.001 0.000 0.269 324 E C 0.069 176.640 176.600 -0.047 0.000 1.036 324 E CA -0.334 56.042 56.400 -0.039 0.000 0.876 324 E CB 0.777 30.438 29.700 -0.065 0.000 1.009 324 E HN 0.678 nan 8.360 nan 0.000 0.416 325 E N 3.171 123.346 120.200 -0.041 0.000 2.376 325 E HA -0.010 4.341 4.350 0.001 0.000 0.266 325 E C -0.680 175.884 176.600 -0.060 0.000 1.009 325 E CA 0.143 56.513 56.400 -0.050 0.000 0.902 325 E CB 0.575 30.255 29.700 -0.034 0.000 0.972 325 E HN 0.237 nan 8.360 nan 0.000 0.439 326 K N 2.284 122.640 120.400 -0.073 0.000 2.156 326 K HA 0.311 4.631 4.320 0.001 0.000 0.271 326 K C 0.165 176.737 176.600 -0.047 0.000 0.995 326 K CA -0.286 55.960 56.287 -0.068 0.000 0.890 326 K CB 1.846 34.297 32.500 -0.082 0.000 1.073 326 K HN 0.464 nan 8.250 nan 0.000 0.454 327 A N 1.744 124.544 122.820 -0.034 0.000 2.021 327 A HA -0.077 4.244 4.320 0.001 0.000 0.216 327 A C 0.623 178.201 177.584 -0.010 0.000 1.163 327 A CA 0.676 52.702 52.037 -0.019 0.000 0.676 327 A CB -0.135 18.857 19.000 -0.014 0.000 0.818 327 A HN 0.758 nan 8.150 nan 0.000 0.453 328 D N 0.718 121.110 120.400 -0.012 0.000 2.338 328 D HA 0.195 4.836 4.640 0.001 0.000 0.255 328 D C 0.857 177.167 176.300 0.016 0.000 1.237 328 D CA -0.101 53.901 54.000 0.002 0.000 0.883 328 D CB 0.355 41.154 40.800 -0.001 0.000 1.087 328 D HN 0.472 nan 8.370 nan 0.000 0.485 329 R N 2.288 122.805 120.500 0.029 0.000 2.596 329 R HA 0.264 4.604 4.340 0.001 0.000 0.369 329 R C 1.045 177.380 176.300 0.057 0.000 1.042 329 R CA -0.568 55.557 56.100 0.043 0.000 1.120 329 R CB 0.198 30.518 30.300 0.034 0.000 1.353 329 R HN 0.117 nan 8.270 nan 0.000 0.564 330 K N 0.636 121.078 120.400 0.069 0.000 2.032 330 K HA -0.139 4.182 4.320 0.001 0.000 0.209 330 K C 1.332 177.999 176.600 0.112 0.000 1.048 330 K CA 1.889 58.222 56.287 0.077 0.000 0.927 330 K CB -0.244 32.302 32.500 0.077 0.000 0.712 330 K HN 0.091 nan 8.250 nan 0.000 0.441 331 F N 1.682 121.626 119.950 -0.010 0.000 2.102 331 F HA -0.183 4.345 4.527 0.001 0.000 0.298 331 F C 1.956 177.755 175.800 -0.002 0.000 1.105 331 F CA 1.045 59.038 58.000 -0.011 0.000 1.239 331 F CB -0.467 38.519 39.000 -0.023 0.000 0.991 331 F HN -0.065 nan 8.300 nan 0.000 0.474 332 L N 0.687 121.892 121.223 -0.030 0.000 2.012 332 L HA -0.210 4.131 4.340 0.001 0.000 0.210 332 L C 1.946 178.756 176.870 -0.099 0.000 1.073 332 L CA 2.204 56.981 54.840 -0.105 0.000 0.748 332 L CB -1.256 40.817 42.059 0.024 0.000 0.891 332 L HN 0.042 nan 8.230 nan 0.000 0.431 333 D N -0.394 119.983 120.400 -0.038 0.000 2.144 333 D HA -0.206 4.435 4.640 0.001 0.000 0.199 333 D C 2.147 178.421 176.300 -0.043 0.000 0.984 333 D CA 1.282 55.267 54.000 -0.024 0.000 0.834 333 D CB -0.030 40.771 40.800 0.002 0.000 0.955 333 D HN 0.257 nan 8.370 nan 0.000 0.465 334 K N 1.080 121.439 120.400 -0.068 0.000 2.057 334 K HA 0.001 4.322 4.320 0.001 0.000 0.206 334 K C 1.822 178.359 176.600 -0.106 0.000 1.050 334 K CA 1.394 57.639 56.287 -0.069 0.000 0.935 334 K CB -0.488 31.981 32.500 -0.051 0.000 0.715 334 K HN 0.003 nan 8.250 nan 0.000 0.439 335 A N 0.719 123.399 122.820 -0.233 0.000 1.902 335 A HA -0.109 4.212 4.320 0.001 0.000 0.217 335 A C 2.212 179.768 177.584 -0.047 0.000 1.181 335 A CA 1.625 53.537 52.037 -0.208 0.000 0.623 335 A CB -0.720 18.049 19.000 -0.386 0.000 0.818 335 A HN 0.331 nan 8.150 nan 0.000 0.443 336 L N -1.056 120.144 121.223 -0.039 0.000 2.083 336 L HA -0.184 4.157 4.340 0.001 0.000 0.209 336 L C 2.640 179.571 176.870 0.102 0.000 1.083 336 L CA 1.705 56.572 54.840 0.046 0.000 0.752 336 L CB -0.426 41.638 42.059 0.008 0.000 0.899 336 L HN 0.569 nan 8.230 nan 0.000 0.433 337 E N 0.158 120.386 120.200 0.047 0.000 2.072 337 E HA -0.223 4.128 4.350 0.001 0.000 0.191 337 E C 1.627 178.264 176.600 0.062 0.000 0.985 337 E CA 1.188 57.614 56.400 0.044 0.000 0.801 337 E CB 0.189 29.901 29.700 0.019 0.000 0.750 337 E HN 0.388 nan 8.360 nan 0.000 0.452 338 D N -0.297 120.147 120.400 0.074 0.000 2.149 338 D HA -0.191 4.449 4.640 0.001 0.000 0.198 338 D C 1.586 177.976 176.300 0.149 0.000 0.990 338 D CA 0.883 54.949 54.000 0.111 0.000 0.839 338 D CB -0.373 40.508 40.800 0.136 0.000 0.948 338 D HN 0.279 nan 8.370 nan 0.000 0.460 339 Y N 1.608 121.934 120.300 0.044 0.000 2.145 339 Y HA -0.154 4.397 4.550 0.001 0.000 0.286 339 Y C 2.351 178.280 175.900 0.048 0.000 1.145 339 Y CA 1.543 59.686 58.100 0.071 0.000 1.148 339 Y CB -0.138 38.352 38.460 0.050 0.000 0.981 339 Y HN -0.200 nan 8.280 nan 0.000 0.507 340 R N 0.317 120.792 120.500 -0.041 0.000 2.096 340 R HA -0.205 4.136 4.340 0.001 0.000 0.240 340 R C 1.678 177.891 176.300 -0.145 0.000 1.139 340 R CA 2.222 58.246 56.100 -0.127 0.000 0.952 340 R CB -0.483 29.806 30.300 -0.019 0.000 0.854 340 R HN 0.420 nan 8.270 nan 0.000 0.436 341 D N -0.096 120.264 120.400 -0.067 0.000 2.097 341 D HA -0.118 4.523 4.640 0.001 0.000 0.195 341 D C 1.740 177.991 176.300 -0.082 0.000 0.989 341 D CA 1.500 55.470 54.000 -0.049 0.000 0.827 341 D CB -0.319 40.484 40.800 0.006 0.000 0.966 341 D HN 0.349 nan 8.370 nan 0.000 0.456 342 A N 0.879 123.652 122.820 -0.079 0.000 1.902 342 A HA -0.173 4.148 4.320 0.001 0.000 0.217 342 A C 2.201 179.617 177.584 -0.280 0.000 1.181 342 A CA 1.250 53.231 52.037 -0.093 0.000 0.623 342 A CB -0.450 18.611 19.000 0.101 0.000 0.818 342 A HN 0.063 nan 8.150 nan 0.000 0.443 343 R N -0.403 119.838 120.500 -0.430 0.000 2.115 343 R HA -0.118 4.223 4.340 0.001 0.000 0.230 343 R C 2.262 178.397 176.300 -0.275 0.000 1.111 343 R CA 1.603 57.423 56.100 -0.468 0.000 0.976 343 R CB -0.188 29.758 30.300 -0.589 0.000 0.870 343 R HN 0.624 nan 8.270 nan 0.000 0.445 344 K N -0.503 119.775 120.400 -0.204 0.000 2.097 344 K HA -0.089 4.232 4.320 0.001 0.000 0.205 344 K C 1.886 178.426 176.600 -0.099 0.000 1.050 344 K CA 1.516 57.728 56.287 -0.124 0.000 0.938 344 K CB -0.229 32.216 32.500 -0.092 0.000 0.718 344 K HN 0.231 nan 8.250 nan 0.000 0.442 345 G N 1.376 110.112 108.800 -0.107 0.000 2.418 345 G HA2 -0.209 3.751 3.960 0.001 0.000 0.217 345 G HA3 -0.209 3.751 3.960 0.001 0.000 0.217 345 G C 1.341 176.197 174.900 -0.074 0.000 1.158 345 G CA 0.441 45.495 45.100 -0.077 0.000 0.771 345 G HN 0.154 nan 8.290 nan 0.000 0.545 346 L N 1.296 122.437 121.223 -0.136 0.000 2.042 346 L HA -0.051 4.290 4.340 0.001 0.000 0.210 346 L C 2.311 179.231 176.870 0.083 0.000 1.076 346 L CA 1.629 56.407 54.840 -0.103 0.000 0.749 346 L CB -0.790 41.029 42.059 -0.399 0.000 0.893 346 L HN 0.143 nan 8.230 nan 0.000 0.432 347 D N -0.718 119.687 120.400 0.008 0.000 2.178 347 D HA -0.144 4.497 4.640 0.001 0.000 0.202 347 D C 1.747 178.055 176.300 0.013 0.000 0.974 347 D CA 0.830 54.857 54.000 0.046 0.000 0.841 347 D CB -0.090 40.702 40.800 -0.013 0.000 0.953 347 D HN 0.306 nan 8.370 nan 0.000 0.478 348 D N -0.049 120.339 120.400 -0.019 0.000 2.219 348 D HA -0.041 4.600 4.640 0.001 0.000 0.205 348 D C 2.073 178.333 176.300 -0.066 0.000 0.970 348 D CA 0.284 54.259 54.000 -0.041 0.000 0.851 348 D CB -0.003 40.769 40.800 -0.047 0.000 0.943 348 D HN 0.263 nan 8.370 nan 0.000 0.488 349 L N 0.064 121.252 121.223 -0.058 0.000 2.395 349 L HA 0.069 4.410 4.340 0.001 0.000 0.218 349 L C 1.337 178.100 176.870 -0.178 0.000 1.130 349 L CA 0.246 55.001 54.840 -0.141 0.000 0.826 349 L CB -0.007 42.004 42.059 -0.080 0.000 0.941 349 L HN -0.111 nan 8.230 nan 0.000 0.451 350 A N 1.150 123.910 122.820 -0.100 0.000 3.282 350 A HA 0.294 4.615 4.320 0.001 0.000 0.287 350 A C 0.059 177.672 177.584 0.047 0.000 1.366 350 A CA -0.451 51.524 52.037 -0.102 0.000 1.069 350 A CB -0.689 18.191 19.000 -0.199 0.000 1.109 350 A HN 0.272 nan 8.150 nan 0.000 0.638 351 K N 0.111 120.490 120.400 -0.036 0.000 2.208 351 K HA 0.733 5.054 4.320 0.001 0.000 0.247 351 K C -3.109 173.170 176.600 -0.535 0.000 0.953 351 K CA -2.279 53.903 56.287 -0.177 0.000 0.837 351 K CB 1.646 34.079 32.500 -0.110 0.000 1.131 351 K HN 0.032 nan 8.250 nan 0.000 0.431 352 P HA 0.051 nan 4.420 nan 0.000 0.274 352 P C -0.769 176.265 177.300 -0.442 0.000 1.237 352 P CA -0.353 62.164 63.100 -0.971 0.000 0.793 352 P CB 1.400 32.656 31.700 -0.739 0.000 0.977 353 S N -0.294 115.181 115.700 -0.376 0.000 2.596 353 S HA 0.239 4.710 4.470 0.001 0.000 0.270 353 S C 0.385 174.859 174.600 -0.210 0.000 1.155 353 S CA -0.484 57.566 58.200 -0.250 0.000 0.827 353 S CB 1.302 64.343 63.200 -0.265 0.000 1.130 353 S HN 0.354 nan 8.310 nan 0.000 0.467 354 E N 0.556 120.666 120.200 -0.150 0.000 2.400 354 E HA 0.141 4.492 4.350 0.001 0.000 0.195 354 E C 1.091 177.620 176.600 -0.118 0.000 1.012 354 E CA 0.262 56.590 56.400 -0.119 0.000 0.875 354 E CB 0.181 29.830 29.700 -0.086 0.000 0.859 354 E HN 0.356 nan 8.360 nan 0.000 0.498 355 K N 0.439 120.758 120.400 -0.135 0.000 2.001 355 K HA 0.078 4.399 4.320 0.001 0.000 0.208 355 K C 0.117 176.631 176.600 -0.142 0.000 1.048 355 K CA 1.099 57.314 56.287 -0.120 0.000 0.932 355 K CB 0.310 32.747 32.500 -0.105 0.000 0.715 355 K HN 0.102 nan 8.250 nan 0.000 0.437 356 A N -0.883 121.802 122.820 -0.226 0.000 2.549 356 A HA 0.424 4.745 4.320 0.001 0.000 0.291 356 A C -1.500 175.882 177.584 -0.336 0.000 1.034 356 A CA -0.864 51.045 52.037 -0.213 0.000 0.655 356 A CB 0.449 19.357 19.000 -0.154 0.000 1.299 356 A HN 0.059 nan 8.150 nan 0.000 0.427 357 I N 3.011 123.445 120.570 -0.227 0.000 2.312 357 I HA 0.238 4.408 4.170 0.001 0.000 0.291 357 I C -0.221 175.777 176.117 -0.199 0.000 1.031 357 I CA -0.558 60.617 61.300 -0.209 0.000 1.293 357 I CB 0.622 38.561 38.000 -0.102 0.000 1.403 357 I HN 0.508 nan 8.210 nan 0.000 0.484 358 H N 8.635 127.650 119.070 -0.092 0.000 2.975 358 H HA 0.070 4.627 4.556 0.001 0.000 0.303 358 H C -1.468 173.728 175.328 -0.220 0.000 1.023 358 H CA -2.006 53.949 56.048 -0.154 0.000 1.473 358 H CB 0.516 30.170 29.762 -0.179 0.000 1.498 358 H HN 0.422 nan 8.280 nan 0.000 0.549 359 P HA -0.173 nan 4.420 nan 0.000 0.219 359 P C 1.232 178.151 177.300 -0.634 0.000 1.146 359 P CA 1.110 64.018 63.100 -0.320 0.000 0.808 359 P CB 0.423 31.958 31.700 -0.275 0.000 0.779 360 Q N -1.008 118.263 119.800 -0.881 0.000 2.172 360 Q HA -0.185 4.156 4.340 0.001 0.000 0.200 360 Q C 2.186 177.748 176.000 -0.729 0.000 0.964 360 Q CA 1.105 56.279 55.803 -1.048 0.000 0.855 360 Q CB -1.601 26.463 28.738 -1.123 0.000 0.918 360 Q HN 0.237 nan 8.270 nan 0.000 0.444 361 Y N 2.243 122.260 120.300 -0.473 0.000 2.128 361 Y HA -0.233 4.318 4.550 0.001 0.000 0.284 361 Y C 2.229 177.991 175.900 -0.230 0.000 1.154 361 Y CA 1.481 59.406 58.100 -0.293 0.000 1.149 361 Y CB -0.462 37.897 38.460 -0.169 0.000 0.976 361 Y HN 0.152 nan 8.280 nan 0.000 0.505 362 L N 0.812 121.855 121.223 -0.300 0.000 2.012 362 L HA -0.123 4.218 4.340 0.001 0.000 0.210 362 L C 2.432 179.183 176.870 -0.198 0.000 1.073 362 L CA 2.357 56.990 54.840 -0.345 0.000 0.748 362 L CB -1.433 40.390 42.059 -0.393 0.000 0.891 362 L HN 0.261 nan 8.230 nan 0.000 0.431 363 A N -1.069 121.711 122.820 -0.067 0.000 1.902 363 A HA -0.286 4.035 4.320 0.001 0.000 0.217 363 A C 2.340 179.925 177.584 0.002 0.000 1.181 363 A CA 1.766 53.868 52.037 0.108 0.000 0.623 363 A CB -0.786 18.340 19.000 0.210 0.000 0.818 363 A HN 0.694 nan 8.150 nan 0.000 0.443 364 Q N -1.072 118.629 119.800 -0.165 0.000 2.135 364 Q HA -0.239 4.102 4.340 0.001 0.000 0.204 364 Q C 1.984 177.934 176.000 -0.084 0.000 0.981 364 Q CA 1.657 57.405 55.803 -0.093 0.000 0.856 364 Q CB -0.110 28.533 28.738 -0.159 0.000 0.902 364 Q HN 0.646 nan 8.270 nan 0.000 0.425 365 Q N 0.073 119.762 119.800 -0.185 0.000 2.187 365 Q HA -0.028 4.313 4.340 0.001 0.000 0.199 365 Q C 2.159 178.260 176.000 0.170 0.000 0.957 365 Q CA 0.712 56.464 55.803 -0.086 0.000 0.857 365 Q CB -0.064 28.534 28.738 -0.234 0.000 0.929 365 Q HN 0.500 nan 8.270 nan 0.000 0.453 366 I N 0.491 121.157 120.570 0.160 0.000 2.163 366 I HA -0.296 3.875 4.170 0.001 0.000 0.243 366 I C 2.522 178.846 176.117 0.345 0.000 1.085 366 I CA 1.299 62.806 61.300 0.345 0.000 1.347 366 I CB -0.336 37.861 38.000 0.329 0.000 1.044 366 I HN 0.136 nan 8.210 nan 0.000 0.408 367 S N -0.358 115.441 115.700 0.165 0.000 2.382 367 S HA -0.297 4.174 4.470 0.001 0.000 0.228 367 S C 2.111 176.789 174.600 0.130 0.000 1.027 367 S CA 1.775 60.036 58.200 0.102 0.000 0.991 367 S CB -0.376 62.836 63.200 0.020 0.000 0.823 367 S HN 0.560 nan 8.310 nan 0.000 0.469 368 H N -0.527 118.517 119.070 -0.043 0.000 2.357 368 H HA 0.081 4.638 4.556 0.001 0.000 0.301 368 H C 1.275 176.481 175.328 -0.203 0.000 1.082 368 H CA 2.064 57.981 56.048 -0.218 0.000 1.342 368 H CB -0.294 29.184 29.762 -0.473 0.000 1.389 368 H HN 0.494 nan 8.280 nan 0.000 0.511 369 F N 0.120 120.142 119.950 0.120 0.000 2.714 369 F HA 0.411 4.939 4.527 0.001 0.000 0.294 369 F C 1.613 177.564 175.800 0.251 0.000 1.120 369 F CA 0.377 58.462 58.000 0.142 0.000 1.398 369 F CB -0.380 38.762 39.000 0.236 0.000 1.120 369 F HN 0.181 nan 8.300 nan 0.000 0.589 370 A N 0.830 123.875 122.820 0.374 0.000 2.406 370 A HA 0.573 4.893 4.320 0.001 0.000 0.243 370 A C 0.680 178.232 177.584 -0.053 0.000 1.082 370 A CA -0.112 51.904 52.037 -0.034 0.000 0.786 370 A CB -0.238 18.820 19.000 0.098 0.000 1.029 370 A HN 0.244 nan 8.150 nan 0.000 0.495 371 A N 0.551 123.249 122.820 -0.204 0.000 2.507 371 A HA 0.332 4.653 4.320 0.001 0.000 0.235 371 A C 0.781 178.323 177.584 -0.069 0.000 1.070 371 A CA 0.449 52.410 52.037 -0.127 0.000 0.768 371 A CB -0.053 18.844 19.000 -0.172 0.000 1.011 371 A HN 0.982 nan 8.150 nan 0.000 0.502 372 D N -0.332 120.039 120.400 -0.048 0.000 2.336 372 D HA -0.008 4.632 4.640 0.001 0.000 0.229 372 D C 0.047 176.320 176.300 -0.046 0.000 1.061 372 D CA 0.723 54.708 54.000 -0.026 0.000 0.875 372 D CB 0.180 40.967 40.800 -0.022 0.000 0.904 372 D HN 0.489 nan 8.370 nan 0.000 0.525 373 D N -0.596 119.757 120.400 -0.078 0.000 2.650 373 D HA 0.264 4.905 4.640 0.001 0.000 0.265 373 D C 0.255 176.464 176.300 -0.152 0.000 1.339 373 D CA -0.731 53.213 54.000 -0.093 0.000 0.816 373 D CB -0.445 40.305 40.800 -0.083 0.000 1.091 373 D HN 0.185 nan 8.370 nan 0.000 0.483 374 A N 0.573 123.256 122.820 -0.229 0.000 2.466 374 A HA 0.402 4.723 4.320 0.001 0.000 0.238 374 A C 0.263 177.549 177.584 -0.497 0.000 1.074 374 A CA -0.074 51.680 52.037 -0.472 0.000 0.774 374 A CB 0.145 18.654 19.000 -0.818 0.000 1.015 374 A HN 0.397 nan 8.150 nan 0.000 0.498 375 I N 1.537 121.820 120.570 -0.478 0.000 2.321 375 I HA 0.317 4.488 4.170 0.001 0.000 0.291 375 I C -0.981 174.883 176.117 -0.422 0.000 0.998 375 I CA 0.042 61.155 61.300 -0.312 0.000 1.227 375 I CB 0.815 38.719 38.000 -0.159 0.000 1.368 375 I HN 0.488 nan 8.210 nan 0.000 0.466 376 F N 3.752 123.701 119.950 -0.002 0.000 2.443 376 F HA 0.528 5.056 4.527 0.001 0.000 0.335 376 F C 0.735 176.550 175.800 0.026 0.000 1.104 376 F CA -0.632 57.383 58.000 0.025 0.000 1.013 376 F CB 1.944 40.976 39.000 0.054 0.000 1.136 376 F HN 0.350 nan 8.300 nan 0.000 0.470 377 T N -0.578 114.090 114.554 0.190 0.000 2.908 377 T HA 0.746 5.097 4.350 0.001 0.000 0.290 377 T C -0.835 173.924 174.700 0.098 0.000 1.034 377 T CA -0.889 61.265 62.100 0.090 0.000 1.010 377 T CB 1.398 70.266 68.868 -0.001 0.000 1.068 377 T HN 0.922 nan 8.240 nan 0.000 0.481 378 C N 1.068 120.385 119.300 0.029 0.000 2.686 378 C HA 0.702 5.162 4.460 0.001 0.000 0.318 378 C C -0.522 174.430 174.990 -0.063 0.000 1.160 378 C CA -1.028 58.001 59.018 0.018 0.000 1.396 378 C CB 0.695 28.481 27.740 0.078 0.000 1.924 378 C HN 0.901 nan 8.230 nan 0.000 0.471 379 D N 1.757 122.110 120.400 -0.079 0.000 2.414 379 D HA 0.255 4.896 4.640 0.001 0.000 0.242 379 D C 0.338 176.582 176.300 -0.094 0.000 1.129 379 D CA 0.240 54.176 54.000 -0.107 0.000 0.885 379 D CB 1.669 42.416 40.800 -0.088 0.000 1.198 379 D HN 0.562 nan 8.370 nan 0.000 0.437 380 V N 2.175 122.033 119.914 -0.093 0.000 2.540 380 V HA 0.446 4.567 4.120 0.001 0.000 0.297 380 V C 1.206 177.253 176.094 -0.079 0.000 1.024 380 V CA 1.268 63.531 62.300 -0.061 0.000 1.105 380 V CB 0.237 32.027 31.823 -0.055 0.000 0.938 380 V HN 0.869 nan 8.190 nan 0.000 0.482 381 G N 4.003 112.744 108.800 -0.098 0.000 2.298 381 G HA2 -0.040 3.921 3.960 0.001 0.000 0.309 381 G HA3 -0.040 3.921 3.960 0.001 0.000 0.309 381 G C 0.615 175.378 174.900 -0.230 0.000 1.279 381 G CA 0.325 45.349 45.100 -0.127 0.000 1.042 381 G HN 1.066 nan 8.290 nan 0.000 0.480 382 T N -1.444 112.953 114.554 -0.262 0.000 2.803 382 T HA -0.029 4.321 4.350 0.001 0.000 0.269 382 T C 0.111 174.354 174.700 -0.762 0.000 1.052 382 T CA 2.431 64.208 62.100 -0.540 0.000 1.136 382 T CB -1.034 67.687 68.868 -0.245 0.000 0.864 382 T HN 0.330 nan 8.240 nan 0.000 0.467 383 P HA -0.012 nan 4.420 nan 0.000 0.218 383 P C 1.618 178.742 177.300 -0.293 0.000 1.149 383 P CA 1.134 63.933 63.100 -0.501 0.000 0.817 383 P CB -0.389 31.064 31.700 -0.412 0.000 0.785 384 T N -0.861 113.565 114.554 -0.213 0.000 2.746 384 T HA -0.093 4.257 4.350 0.001 0.000 0.267 384 T C 1.795 176.395 174.700 -0.167 0.000 1.039 384 T CA 1.235 63.297 62.100 -0.062 0.000 1.142 384 T CB -0.946 67.944 68.868 0.037 0.000 0.866 384 T HN -0.099 nan 8.240 nan 0.000 0.444 385 V N 0.084 119.763 119.914 -0.391 0.000 2.295 385 V HA -0.192 3.928 4.120 0.001 0.000 0.246 385 V C 2.105 178.087 176.094 -0.186 0.000 1.049 385 V CA 1.533 63.565 62.300 -0.447 0.000 1.024 385 V CB -0.875 30.412 31.823 -0.893 0.000 0.648 385 V HN 0.654 nan 8.190 nan 0.000 0.447 386 W N -0.023 121.291 121.300 0.023 0.000 2.418 386 W HA 0.044 4.705 4.660 0.001 0.000 0.292 386 W C 2.650 179.253 176.519 0.140 0.000 1.213 386 W CA 0.457 57.894 57.345 0.153 0.000 1.283 386 W CB -0.459 29.033 29.460 0.054 0.000 1.119 386 W HN 0.176 nan 8.180 nan 0.000 0.542 387 A N 1.194 124.132 122.820 0.197 0.000 1.858 387 A HA -0.131 4.190 4.320 0.001 0.000 0.216 387 A C 2.101 179.728 177.584 0.071 0.000 1.190 387 A CA 2.459 54.557 52.037 0.102 0.000 0.617 387 A CB -1.348 17.696 19.000 0.073 0.000 0.827 387 A HN 0.212 nan 8.150 nan 0.000 0.443 388 A N -0.405 122.439 122.820 0.040 0.000 1.917 388 A HA -0.209 4.112 4.320 0.001 0.000 0.219 388 A C 2.264 179.890 177.584 0.070 0.000 1.182 388 A CA 1.830 53.883 52.037 0.027 0.000 0.633 388 A CB -0.407 18.579 19.000 -0.024 0.000 0.819 388 A HN 0.573 nan 8.150 nan 0.000 0.448 389 R N -3.253 117.263 120.500 0.028 0.000 2.223 389 R HA 0.121 4.461 4.340 0.001 0.000 0.198 389 R C 0.892 176.867 176.300 -0.541 0.000 0.984 389 R CA 0.933 56.880 56.100 -0.255 0.000 1.018 389 R CB 0.033 30.097 30.300 -0.394 0.000 0.945 389 R HN 0.670 nan 8.270 nan 0.000 0.479 390 Y N -0.546 119.795 120.300 0.069 0.000 2.432 390 Y HA 0.277 4.828 4.550 0.001 0.000 0.252 390 Y C 0.368 176.253 175.900 -0.025 0.000 1.097 390 Y CA -0.444 57.670 58.100 0.022 0.000 1.250 390 Y CB 0.766 39.252 38.460 0.044 0.000 1.245 390 Y HN -0.179 nan 8.280 nan 0.000 0.522 391 L N 2.405 123.652 121.223 0.040 0.000 2.361 391 L HA 0.145 4.486 4.340 0.001 0.000 0.278 391 L C 0.277 177.109 176.870 -0.063 0.000 1.113 391 L CA -0.067 54.699 54.840 -0.123 0.000 0.849 391 L CB 0.766 42.642 42.059 -0.305 0.000 1.155 391 L HN 0.023 nan 8.230 nan 0.000 0.452 392 K N 4.665 125.041 120.400 -0.041 0.000 2.276 392 K HA 0.332 4.652 4.320 0.001 0.000 0.285 392 K C -0.413 176.194 176.600 0.010 0.000 1.062 392 K CA -0.677 55.618 56.287 0.013 0.000 0.918 392 K CB 0.673 33.198 32.500 0.041 0.000 1.055 392 K HN 0.403 nan 8.250 nan 0.000 0.477 393 M N 2.907 122.523 119.600 0.028 0.000 2.368 393 M HA 0.186 4.667 4.480 0.001 0.000 0.311 393 M C 0.454 176.735 176.300 -0.031 0.000 1.168 393 M CA -0.460 54.842 55.300 0.003 0.000 1.044 393 M CB 0.926 33.538 32.600 0.020 0.000 1.506 393 M HN 0.785 nan 8.290 nan 0.000 0.475 394 N N -1.334 117.211 118.700 -0.258 0.000 2.036 394 N HA 0.195 4.936 4.740 0.001 0.000 0.224 394 N C 0.634 175.582 175.510 -0.938 0.000 1.381 394 N CA 0.478 53.292 53.050 -0.393 0.000 0.746 394 N CB 0.097 38.490 38.487 -0.156 0.000 1.213 394 N HN 0.929 nan 8.380 nan 0.000 0.524 395 G N 0.508 108.486 108.800 -1.369 0.000 2.195 395 G HA2 -0.359 3.602 3.960 0.001 0.000 0.246 395 G HA3 -0.359 3.602 3.960 0.001 0.000 0.246 395 G C 0.790 175.436 174.900 -0.424 0.000 0.984 395 G CA 0.799 45.204 45.100 -1.159 0.000 0.633 395 G HN 0.475 nan 8.290 nan 0.000 0.525 396 K N -0.496 119.720 120.400 -0.307 0.000 2.380 396 K HA 0.276 4.597 4.320 0.001 0.000 0.200 396 K C 1.415 177.949 176.600 -0.110 0.000 1.201 396 K CA -0.357 55.835 56.287 -0.158 0.000 0.916 396 K CB 0.399 32.825 32.500 -0.122 0.000 1.187 396 K HN 0.259 nan 8.250 nan 0.000 0.498 397 R N 1.511 121.957 120.500 -0.089 0.000 2.756 397 R HA 0.123 4.464 4.340 0.001 0.000 0.264 397 R C -0.100 176.204 176.300 0.007 0.000 1.026 397 R CA 0.374 56.476 56.100 0.004 0.000 1.121 397 R CB 0.383 30.768 30.300 0.143 0.000 0.999 397 R HN -0.034 nan 8.270 nan 0.000 0.449 398 R N 1.229 121.769 120.500 0.067 0.000 2.807 398 R HA 0.463 4.804 4.340 0.001 0.000 0.276 398 R C -1.321 175.086 176.300 0.177 0.000 0.979 398 R CA -1.238 54.899 56.100 0.062 0.000 0.928 398 R CB 1.582 31.894 30.300 0.020 0.000 1.191 398 R HN 0.299 nan 8.270 nan 0.000 0.471 399 L N 2.787 124.096 121.223 0.145 0.000 2.404 399 L HA 0.512 4.853 4.340 0.001 0.000 0.272 399 L C -1.476 175.523 176.870 0.214 0.000 0.980 399 L CA -0.286 54.687 54.840 0.222 0.000 0.836 399 L CB 1.311 43.494 42.059 0.206 0.000 1.238 399 L HN 0.459 nan 8.230 nan 0.000 0.408 400 L N 4.561 125.872 121.223 0.148 0.000 2.342 400 L HA 1.018 5.359 4.340 0.001 0.000 0.271 400 L C 0.368 177.114 176.870 -0.207 0.000 1.008 400 L CA -0.557 54.292 54.840 0.015 0.000 0.818 400 L CB 1.771 43.815 42.059 -0.025 0.000 1.296 400 L HN 0.759 nan 8.230 nan 0.000 0.427 401 G N -0.152 108.235 108.800 -0.688 0.000 2.706 401 G HA2 0.312 4.273 3.960 0.001 0.000 0.307 401 G HA3 0.312 4.273 3.960 0.001 0.000 0.307 401 G C -1.425 172.956 174.900 -0.864 0.000 1.307 401 G CA -0.276 44.169 45.100 -1.091 0.000 0.790 401 G HN 0.351 nan 8.290 nan 0.000 0.503 402 S N 0.073 115.383 115.700 -0.651 0.000 2.514 402 S HA 0.416 4.886 4.470 0.001 0.000 0.179 402 S C 0.371 174.902 174.600 -0.116 0.000 1.409 402 S CA -0.669 57.394 58.200 -0.228 0.000 1.138 402 S CB -0.681 62.514 63.200 -0.007 0.000 1.217 402 S HN 0.370 nan 8.310 nan 0.000 0.493 403 F N 1.324 121.309 119.950 0.058 0.000 2.367 403 F HA 0.193 4.720 4.527 0.001 0.000 0.298 403 F C 2.117 177.939 175.800 0.037 0.000 1.094 403 F CA 0.257 58.282 58.000 0.041 0.000 1.409 403 F CB -0.295 38.733 39.000 0.047 0.000 1.064 403 F HN 0.412 nan 8.300 nan 0.000 0.528 404 N N -1.299 117.520 118.700 0.199 0.000 2.428 404 N HA -0.092 4.649 4.740 0.001 0.000 0.181 404 N C 1.761 177.361 175.510 0.150 0.000 1.028 404 N CA 0.895 54.022 53.050 0.130 0.000 0.877 404 N CB -0.532 38.001 38.487 0.078 0.000 1.064 404 N HN 0.233 nan 8.380 nan 0.000 0.434 405 H N 0.036 119.145 119.070 0.066 0.000 2.482 405 H HA 0.181 4.738 4.556 0.001 0.000 0.286 405 H C 0.625 175.985 175.328 0.053 0.000 1.017 405 H CA 1.232 57.325 56.048 0.074 0.000 1.322 405 H CB -0.294 29.531 29.762 0.106 0.000 1.426 405 H HN 0.289 nan 8.280 nan 0.000 0.546 406 G N 0.588 109.387 108.800 -0.002 0.000 2.225 406 G HA2 -0.274 3.687 3.960 0.001 0.000 0.264 406 G HA3 -0.274 3.687 3.960 0.001 0.000 0.264 406 G C 0.057 174.881 174.900 -0.128 0.000 1.060 406 G CA 0.654 45.720 45.100 -0.056 0.000 0.833 406 G HN 0.663 nan 8.290 nan 0.000 0.498 407 S N -0.307 115.351 115.700 -0.070 0.000 2.499 407 S HA 0.676 5.147 4.470 0.001 0.000 0.279 407 S C 1.225 175.807 174.600 -0.031 0.000 1.219 407 S CA -0.530 57.655 58.200 -0.025 0.000 1.062 407 S CB 0.344 63.679 63.200 0.226 0.000 0.978 407 S HN 0.390 nan 8.310 nan 0.000 0.489 408 M N 3.791 123.360 119.600 -0.052 0.000 2.243 408 M HA 0.147 4.627 4.480 0.001 0.000 0.309 408 M C 1.298 177.528 176.300 -0.117 0.000 1.050 408 M CA 1.256 56.512 55.300 -0.073 0.000 1.139 408 M CB -0.004 32.563 32.600 -0.055 0.000 1.457 408 M HN 1.101 nan 8.290 nan 0.000 0.440 409 A N 0.758 123.481 122.820 -0.161 0.000 3.080 409 A HA -0.179 4.141 4.320 0.001 0.000 0.254 409 A C 1.072 178.394 177.584 -0.438 0.000 1.277 409 A CA 1.149 53.054 52.037 -0.220 0.000 1.065 409 A CB -2.548 16.352 19.000 -0.168 0.000 1.160 409 A HN 1.025 nan 8.150 nan 0.000 0.886 410 N N 0.103 118.478 118.700 -0.542 0.000 2.376 410 N HA 0.138 4.879 4.740 0.001 0.000 0.177 410 N C 1.700 176.882 175.510 -0.546 0.000 1.024 410 N CA 1.411 53.899 53.050 -0.936 0.000 0.893 410 N CB -0.635 37.453 38.487 -0.664 0.000 0.980 410 N HN 1.108 nan 8.380 nan 0.000 0.439 411 A N 2.272 124.913 122.820 -0.299 0.000 1.858 411 A HA -0.113 4.208 4.320 0.001 0.000 0.216 411 A C 2.395 179.913 177.584 -0.109 0.000 1.190 411 A CA 1.732 53.673 52.037 -0.161 0.000 0.617 411 A CB -0.707 18.251 19.000 -0.069 0.000 0.827 411 A HN 0.430 nan 8.150 nan 0.000 0.443 412 M N -0.265 119.293 119.600 -0.071 0.000 2.132 412 M HA -0.030 4.450 4.480 0.001 0.000 0.263 412 M C -1.058 175.211 176.300 -0.052 0.000 1.065 412 M CA 1.851 57.157 55.300 0.010 0.000 1.122 412 M CB -0.834 31.837 32.600 0.120 0.000 1.365 412 M HN 0.135 nan 8.290 nan 0.000 0.411 413 P HA -0.143 nan 4.420 nan 0.000 0.215 413 P C 1.084 178.290 177.300 -0.158 0.000 1.153 413 P CA 1.494 64.507 63.100 -0.145 0.000 0.853 413 P CB -0.148 31.428 31.700 -0.207 0.000 0.788 414 Q N -0.863 118.824 119.800 -0.189 0.000 2.119 414 Q HA -0.107 4.233 4.340 0.001 0.000 0.201 414 Q C 2.215 178.153 176.000 -0.104 0.000 0.972 414 Q CA 1.503 57.221 55.803 -0.142 0.000 0.847 414 Q CB -0.675 27.982 28.738 -0.135 0.000 0.903 414 Q HN 0.168 nan 8.270 nan 0.000 0.433 415 A N 0.708 123.487 122.820 -0.069 0.000 1.933 415 A HA -0.190 4.131 4.320 0.001 0.000 0.218 415 A C 1.997 179.575 177.584 -0.010 0.000 1.175 415 A CA 1.054 53.076 52.037 -0.025 0.000 0.628 415 A CB -0.557 18.451 19.000 0.014 0.000 0.814 415 A HN 0.282 nan 8.150 nan 0.000 0.444 416 L N -0.037 121.179 121.223 -0.013 0.000 2.012 416 L HA -0.109 4.231 4.340 0.001 0.000 0.210 416 L C 2.600 179.492 176.870 0.037 0.000 1.073 416 L CA 2.190 57.051 54.840 0.035 0.000 0.748 416 L CB -1.194 40.880 42.059 0.025 0.000 0.891 416 L HN 0.372 nan 8.230 nan 0.000 0.431 417 G N -1.785 106.905 108.800 -0.185 0.000 2.402 417 G HA2 -0.196 3.765 3.960 0.001 0.000 0.216 417 G HA3 -0.196 3.765 3.960 0.001 0.000 0.216 417 G C 1.634 176.535 174.900 0.003 0.000 1.162 417 G CA 0.818 45.770 45.100 -0.246 0.000 0.777 417 G HN 0.579 nan 8.290 nan 0.000 0.539 418 A N 0.346 123.150 122.820 -0.026 0.000 1.858 418 A HA -0.128 4.193 4.320 0.001 0.000 0.216 418 A C 2.328 179.927 177.584 0.026 0.000 1.190 418 A CA 2.319 54.354 52.037 -0.003 0.000 0.617 418 A CB -0.574 18.408 19.000 -0.029 0.000 0.827 418 A HN 0.395 nan 8.150 nan 0.000 0.443 419 Q N -0.266 119.554 119.800 0.033 0.000 2.124 419 Q HA -0.054 4.287 4.340 0.001 0.000 0.202 419 Q C 2.011 178.053 176.000 0.070 0.000 0.977 419 Q CA 2.159 57.984 55.803 0.037 0.000 0.850 419 Q CB -0.583 28.178 28.738 0.039 0.000 0.901 419 Q HN 0.581 nan 8.270 nan 0.000 0.429 420 A N -1.126 121.780 122.820 0.144 0.000 1.969 420 A HA -0.120 4.201 4.320 0.001 0.000 0.218 420 A C 2.192 179.844 177.584 0.113 0.000 1.169 420 A CA 1.760 53.888 52.037 0.151 0.000 0.635 420 A CB -0.682 18.488 19.000 0.283 0.000 0.810 420 A HN 0.467 nan 8.150 nan 0.000 0.445 421 T N 0.046 114.676 114.554 0.127 0.000 2.896 421 T HA -0.001 4.350 4.350 0.001 0.000 0.263 421 T C 0.464 175.189 174.700 0.041 0.000 1.050 421 T CA 0.979 63.132 62.100 0.088 0.000 1.140 421 T CB -0.013 68.906 68.868 0.085 0.000 0.877 421 T HN 0.406 nan 8.240 nan 0.000 0.457 422 E N 1.320 121.536 120.200 0.027 0.000 2.916 422 E HA 0.182 4.532 4.350 0.001 0.000 0.217 422 E C -2.033 174.564 176.600 -0.004 0.000 1.100 422 E CA -1.821 54.580 56.400 0.002 0.000 0.891 422 E CB 1.384 31.075 29.700 -0.014 0.000 1.311 422 E HN 0.275 nan 8.360 nan 0.000 0.421 423 P HA -0.127 nan 4.420 nan 0.000 0.222 423 P C 0.741 178.033 177.300 -0.014 0.000 1.147 423 P CA 1.041 64.139 63.100 -0.002 0.000 0.790 423 P CB 0.572 32.271 31.700 -0.002 0.000 0.780 424 E N -0.799 119.390 120.200 -0.019 0.000 2.474 424 E HA 0.037 4.388 4.350 0.001 0.000 0.194 424 E C 0.871 177.446 176.600 -0.041 0.000 1.041 424 E CA 0.071 56.455 56.400 -0.026 0.000 0.874 424 E CB 0.050 29.737 29.700 -0.023 0.000 0.914 424 E HN 0.208 nan 8.360 nan 0.000 0.498 425 R N 1.249 121.719 120.500 -0.050 0.000 2.486 425 R HA 0.132 4.473 4.340 0.001 0.000 0.286 425 R C -0.088 176.149 176.300 -0.106 0.000 0.999 425 R CA -0.353 55.700 56.100 -0.078 0.000 0.993 425 R CB 0.901 31.155 30.300 -0.076 0.000 1.084 425 R HN -0.115 nan 8.270 nan 0.000 0.487 426 Q N 2.540 122.247 119.800 -0.156 0.000 2.304 426 Q HA 0.294 4.635 4.340 0.001 0.000 0.260 426 Q C -1.237 174.606 176.000 -0.261 0.000 0.965 426 Q CA -0.310 55.365 55.803 -0.213 0.000 0.898 426 Q CB 0.916 29.473 28.738 -0.301 0.000 1.196 426 Q HN 0.387 nan 8.270 nan 0.000 0.402 427 V N 4.801 124.591 119.914 -0.207 0.000 2.487 427 V HA 0.392 4.513 4.120 0.001 0.000 0.298 427 V C -0.692 175.309 176.094 -0.154 0.000 1.028 427 V CA -0.771 61.413 62.300 -0.193 0.000 0.860 427 V CB 1.927 33.695 31.823 -0.092 0.000 0.991 427 V HN 0.593 nan 8.190 nan 0.000 0.427 428 V N 3.987 123.789 119.914 -0.187 0.000 2.376 428 V HA 0.694 4.815 4.120 0.001 0.000 0.287 428 V C 0.366 176.531 176.094 0.117 0.000 1.015 428 V CA -0.600 61.695 62.300 -0.008 0.000 0.834 428 V CB 1.687 33.518 31.823 0.014 0.000 1.001 428 V HN 0.964 nan 8.190 nan 0.000 0.428 429 A N 6.675 129.575 122.820 0.133 0.000 2.279 429 A HA 0.733 5.054 4.320 0.001 0.000 0.306 429 A C -0.022 177.670 177.584 0.180 0.000 1.300 429 A CA -0.406 51.709 52.037 0.131 0.000 0.925 429 A CB 0.139 19.198 19.000 0.098 0.000 1.152 429 A HN 0.849 nan 8.150 nan 0.000 0.544 430 M N 3.159 122.880 119.600 0.203 0.000 2.261 430 M HA 0.200 4.680 4.480 0.001 0.000 0.349 430 M C -0.877 175.498 176.300 0.124 0.000 1.305 430 M CA 0.037 55.489 55.300 0.253 0.000 1.240 430 M CB 0.029 32.762 32.600 0.222 0.000 1.394 430 M HN 0.627 nan 8.290 nan 0.000 0.438 431 C N 1.857 121.252 119.300 0.159 0.000 2.365 431 C HA 0.817 5.278 4.460 0.001 0.000 0.349 431 C C 1.161 176.198 174.990 0.078 0.000 1.191 431 C CA -0.889 58.168 59.018 0.065 0.000 2.114 431 C CB 1.137 28.892 27.740 0.026 0.000 2.367 431 C HN 0.951 nan 8.230 nan 0.000 0.530 432 G N 1.156 109.966 108.800 0.018 0.000 2.504 432 G HA2 0.343 4.304 3.960 0.001 0.000 0.288 432 G HA3 0.343 4.304 3.960 0.001 0.000 0.288 432 G C 0.637 175.529 174.900 -0.013 0.000 1.182 432 G CA -0.093 45.027 45.100 0.032 0.000 0.894 432 G HN 0.837 nan 8.290 nan 0.000 0.521 433 D N 0.150 120.553 120.400 0.005 0.000 2.183 433 D HA -0.076 4.564 4.640 0.001 0.000 0.203 433 D C 2.143 178.493 176.300 0.082 0.000 0.969 433 D CA 1.169 55.148 54.000 -0.035 0.000 0.842 433 D CB -0.779 40.141 40.800 0.200 0.000 0.957 433 D HN 0.471 nan 8.370 nan 0.000 0.484 434 G N 0.854 109.702 108.800 0.081 0.000 2.404 434 G HA2 -0.140 3.821 3.960 0.001 0.000 0.215 434 G HA3 -0.140 3.821 3.960 0.001 0.000 0.215 434 G C 1.759 176.674 174.900 0.026 0.000 1.174 434 G CA 1.054 46.194 45.100 0.067 0.000 0.780 434 G HN 0.465 nan 8.290 nan 0.000 0.537 435 G N 0.370 109.171 108.800 0.002 0.000 2.421 435 G HA2 -0.199 3.762 3.960 0.001 0.000 0.216 435 G HA3 -0.199 3.762 3.960 0.001 0.000 0.216 435 G C 1.651 176.531 174.900 -0.034 0.000 1.171 435 G CA 0.957 46.036 45.100 -0.035 0.000 0.775 435 G HN 0.335 nan 8.290 nan 0.000 0.543 436 F N 2.822 122.665 119.950 -0.179 0.000 2.102 436 F HA -0.156 4.371 4.527 0.001 0.000 0.298 436 F C 3.005 178.722 175.800 -0.139 0.000 1.105 436 F CA 2.092 59.958 58.000 -0.222 0.000 1.239 436 F CB -0.279 38.460 39.000 -0.435 0.000 0.991 436 F HN 0.258 nan 8.300 nan 0.000 0.474 437 S N -0.140 115.542 115.700 -0.030 0.000 2.461 437 S HA -0.210 4.261 4.470 0.001 0.000 0.228 437 S C 2.119 176.676 174.600 -0.073 0.000 1.005 437 S CA 0.863 59.055 58.200 -0.013 0.000 0.942 437 S CB -0.864 62.480 63.200 0.240 0.000 0.776 437 S HN 0.631 nan 8.310 nan 0.000 0.514 438 M N 0.604 120.160 119.600 -0.074 0.000 2.213 438 M HA 0.166 4.647 4.480 0.001 0.000 0.263 438 M C 0.567 176.791 176.300 -0.126 0.000 1.062 438 M CA 1.516 56.770 55.300 -0.076 0.000 1.105 438 M CB -0.041 32.519 32.600 -0.066 0.000 1.385 438 M HN 0.315 nan 8.290 nan 0.000 0.417 439 L N -0.171 120.942 121.223 -0.184 0.000 3.255 439 L HA 0.212 4.552 4.340 0.001 0.000 0.293 439 L C 1.213 177.943 176.870 -0.233 0.000 1.302 439 L CA -0.344 54.381 54.840 -0.192 0.000 0.977 439 L CB 0.220 42.165 42.059 -0.190 0.000 1.390 439 L HN 0.352 nan 8.230 nan 0.000 0.588 440 M N -0.039 119.391 119.600 -0.283 0.000 2.267 440 M HA -0.121 4.359 4.480 0.001 0.000 0.263 440 M C 2.016 178.224 176.300 -0.154 0.000 1.063 440 M CA 2.020 57.071 55.300 -0.417 0.000 1.090 440 M CB -0.006 32.407 32.600 -0.310 0.000 1.392 440 M HN 0.500 nan 8.290 nan 0.000 0.422 441 G N -0.306 108.466 108.800 -0.046 0.000 2.450 441 G HA2 -0.220 3.741 3.960 0.001 0.000 0.220 441 G HA3 -0.220 3.741 3.960 0.001 0.000 0.220 441 G C 1.095 176.037 174.900 0.070 0.000 1.130 441 G CA 1.021 46.146 45.100 0.043 0.000 0.760 441 G HN 0.485 nan 8.290 nan 0.000 0.557 442 D N -0.460 119.967 120.400 0.045 0.000 2.363 442 D HA -0.011 4.630 4.640 0.001 0.000 0.226 442 D C 1.648 178.020 176.300 0.120 0.000 1.020 442 D CA -0.171 53.874 54.000 0.074 0.000 0.892 442 D CB 0.015 40.852 40.800 0.062 0.000 0.900 442 D HN 0.254 nan 8.370 nan 0.000 0.531 443 F N 1.659 121.580 119.950 -0.049 0.000 2.161 443 F HA -0.166 4.362 4.527 0.001 0.000 0.300 443 F C 1.983 177.827 175.800 0.073 0.000 1.089 443 F CA 1.011 59.036 58.000 0.042 0.000 1.282 443 F CB -0.361 38.681 39.000 0.069 0.000 1.010 443 F HN -0.083 nan 8.300 nan 0.000 0.485 444 L N -0.949 120.289 121.223 0.025 0.000 2.265 444 L HA -0.211 4.130 4.340 0.001 0.000 0.215 444 L C 2.395 179.230 176.870 -0.057 0.000 1.117 444 L CA 1.145 55.951 54.840 -0.057 0.000 0.782 444 L CB -0.852 41.224 42.059 0.029 0.000 0.914 444 L HN 0.052 nan 8.230 nan 0.000 0.441 445 S N -0.625 115.072 115.700 -0.005 0.000 2.406 445 S HA -0.105 4.366 4.470 0.001 0.000 0.228 445 S C 2.064 176.659 174.600 -0.008 0.000 1.020 445 S CA 0.752 58.965 58.200 0.022 0.000 0.965 445 S CB -0.026 63.222 63.200 0.081 0.000 0.798 445 S HN 0.167 nan 8.310 nan 0.000 0.488 446 V N 1.466 121.345 119.914 -0.058 0.000 2.332 446 V HA -0.157 3.964 4.120 0.001 0.000 0.248 446 V C 2.256 178.286 176.094 -0.107 0.000 1.055 446 V CA 1.513 63.767 62.300 -0.076 0.000 1.038 446 V CB -0.696 31.049 31.823 -0.130 0.000 0.651 446 V HN 0.342 nan 8.190 nan 0.000 0.450 447 V N -0.556 119.255 119.914 -0.171 0.000 2.255 447 V HA -0.306 3.814 4.120 0.001 0.000 0.243 447 V C 2.381 178.440 176.094 -0.058 0.000 1.038 447 V CA 2.318 64.546 62.300 -0.120 0.000 1.008 447 V CB -0.693 31.047 31.823 -0.138 0.000 0.645 447 V HN 0.573 nan 8.190 nan 0.000 0.449 448 Q N -0.627 119.148 119.800 -0.042 0.000 2.135 448 Q HA -0.219 4.122 4.340 0.001 0.000 0.204 448 Q C 2.066 178.060 176.000 -0.009 0.000 0.981 448 Q CA 1.973 57.768 55.803 -0.014 0.000 0.856 448 Q CB -0.091 28.650 28.738 0.004 0.000 0.902 448 Q HN 0.584 nan 8.270 nan 0.000 0.425 449 M N -0.142 119.454 119.600 -0.007 0.000 2.556 449 M HA 0.061 4.541 4.480 0.001 0.000 0.245 449 M C -0.370 175.925 176.300 -0.008 0.000 1.128 449 M CA 0.373 55.669 55.300 -0.007 0.000 1.069 449 M CB 0.634 33.240 32.600 0.011 0.000 1.469 449 M HN -0.023 nan 8.290 nan 0.000 0.494 450 K N 1.307 121.699 120.400 -0.013 0.000 3.150 450 K HA -0.161 4.160 4.320 0.001 0.000 0.267 450 K C -1.075 175.524 176.600 -0.001 0.000 1.028 450 K CA 0.505 56.785 56.287 -0.012 0.000 0.753 450 K CB -2.526 29.968 32.500 -0.010 0.000 1.288 450 K HN 0.412 nan 8.250 nan 0.000 0.473 451 L N 1.752 122.979 121.223 0.008 0.000 2.265 451 L HA 0.243 4.584 4.340 0.001 0.000 0.289 451 L C -1.320 175.563 176.870 0.021 0.000 1.033 451 L CA -1.999 52.855 54.840 0.023 0.000 0.814 451 L CB 0.846 42.934 42.059 0.050 0.000 1.203 451 L HN -0.092 nan 8.230 nan 0.000 0.423 452 P HA 0.010 nan 4.420 nan 0.000 0.237 452 P C 0.056 177.378 177.300 0.036 0.000 1.723 452 P CA -0.079 63.036 63.100 0.024 0.000 0.882 452 P CB -0.404 31.305 31.700 0.016 0.000 1.810 453 V N -1.555 118.389 119.914 0.050 0.000 2.740 453 V HA 0.209 4.330 4.120 0.001 0.000 0.303 453 V C 0.456 176.610 176.094 0.099 0.000 1.054 453 V CA -0.316 62.021 62.300 0.062 0.000 1.106 453 V CB 0.250 32.121 31.823 0.081 0.000 0.957 453 V HN -0.007 nan 8.190 nan 0.000 0.486 454 K N 5.303 125.766 120.400 0.105 0.000 2.292 454 K HA 0.562 4.883 4.320 0.001 0.000 0.270 454 K C -0.682 176.017 176.600 0.166 0.000 1.062 454 K CA -0.213 56.178 56.287 0.174 0.000 0.916 454 K CB 1.287 33.964 32.500 0.295 0.000 1.166 454 K HN 0.734 nan 8.250 nan 0.000 0.458 455 I N 2.790 123.443 120.570 0.138 0.000 2.315 455 I HA 0.152 4.322 4.170 0.001 0.000 0.291 455 I C -0.214 175.913 176.117 0.018 0.000 1.006 455 I CA -0.943 60.406 61.300 0.082 0.000 1.265 455 I CB 1.348 39.379 38.000 0.051 0.000 1.387 455 I HN 0.064 nan 8.210 nan 0.000 0.475 456 V N 7.655 127.601 119.914 0.055 0.000 2.334 456 V HA 0.276 4.396 4.120 0.001 0.000 0.281 456 V C 0.029 176.126 176.094 0.005 0.000 1.016 456 V CA -0.714 61.591 62.300 0.007 0.000 0.832 456 V CB 1.638 33.509 31.823 0.081 0.000 0.999 456 V HN 0.362 nan 8.190 nan 0.000 0.439 457 V N 5.636 125.461 119.914 -0.149 0.000 2.406 457 V HA 0.343 4.464 4.120 0.001 0.000 0.272 457 V C -0.110 175.958 176.094 -0.044 0.000 1.043 457 V CA -0.310 61.901 62.300 -0.149 0.000 0.915 457 V CB 0.935 32.494 31.823 -0.440 0.000 0.988 457 V HN 0.674 nan 8.190 nan 0.000 0.466 458 F N 4.086 124.008 119.950 -0.047 0.000 2.566 458 F HA 0.237 4.765 4.527 0.001 0.000 0.349 458 F C 1.069 176.888 175.800 0.032 0.000 1.245 458 F CA -0.363 57.654 58.000 0.029 0.000 1.169 458 F CB -0.232 38.839 39.000 0.118 0.000 1.470 458 F HN 0.444 nan 8.300 nan 0.000 0.634 459 N N 3.196 121.959 118.700 0.105 0.000 2.663 459 N HA -0.027 4.714 4.740 0.001 0.000 0.250 459 N C 0.402 175.991 175.510 0.131 0.000 1.129 459 N CA -0.054 53.080 53.050 0.138 0.000 0.995 459 N CB -0.128 38.449 38.487 0.151 0.000 1.324 459 N HN 0.414 nan 8.380 nan 0.000 0.512 460 N N 0.727 119.521 118.700 0.157 0.000 2.235 460 N HA -0.052 4.688 4.740 0.001 0.000 0.209 460 N C 0.091 175.666 175.510 0.108 0.000 1.122 460 N CA 0.134 53.263 53.050 0.131 0.000 0.845 460 N CB -0.344 38.239 38.487 0.161 0.000 1.004 460 N HN 0.270 nan 8.380 nan 0.000 0.499 461 S N -1.969 113.807 115.700 0.126 0.000 3.486 461 S HA -0.218 4.253 4.470 0.001 0.000 0.371 461 S C -0.094 174.561 174.600 0.091 0.000 1.001 461 S CA 0.630 58.895 58.200 0.109 0.000 1.164 461 S CB -2.240 60.992 63.200 0.055 0.000 0.911 461 S HN 0.513 nan 8.310 nan 0.000 0.472 462 V N 0.271 120.246 119.914 0.102 0.000 3.242 462 V HA 0.510 4.630 4.120 0.001 0.000 0.298 462 V C -0.552 175.590 176.094 0.080 0.000 1.352 462 V CA -1.162 61.188 62.300 0.082 0.000 1.052 462 V CB 2.087 33.953 31.823 0.071 0.000 1.101 462 V HN 0.441 nan 8.190 nan 0.000 0.446 463 L N 4.739 125.998 121.223 0.060 0.000 2.423 463 L HA 0.455 4.796 4.340 0.001 0.000 0.249 463 L C 1.111 178.001 176.870 0.033 0.000 1.276 463 L CA 0.207 55.072 54.840 0.042 0.000 1.199 463 L CB -0.037 42.041 42.059 0.031 0.000 1.407 463 L HN 0.807 nan 8.230 nan 0.000 0.410 480 T N 0.245 114.816 114.554 0.028 0.000 2.990 480 T HA 0.254 4.604 4.350 0.001 0.000 0.249 480 T C 0.335 175.060 174.700 0.042 0.000 1.039 480 T CA -0.018 62.101 62.100 0.032 0.000 1.036 480 T CB 0.473 69.359 68.868 0.029 0.000 0.994 480 T HN 0.144 nan 8.240 nan 0.000 0.489 481 E N 2.465 122.690 120.200 0.042 0.000 2.217 481 E HA 0.337 4.688 4.350 0.001 0.000 0.279 481 E C -0.402 176.235 176.600 0.062 0.000 1.068 481 E CA -0.073 56.355 56.400 0.046 0.000 0.882 481 E CB 1.089 30.811 29.700 0.037 0.000 1.039 481 E HN 0.489 nan 8.360 nan 0.000 0.418 482 L N 2.370 123.636 121.223 0.073 0.000 2.379 482 L HA 0.205 4.545 4.340 0.001 0.000 0.269 482 L C 1.012 177.941 176.870 0.099 0.000 1.084 482 L CA -0.748 54.152 54.840 0.100 0.000 0.802 482 L CB 0.831 42.964 42.059 0.123 0.000 1.175 482 L HN 0.477 nan 8.230 nan 0.000 0.448 483 H N 2.483 121.568 119.070 0.025 0.000 2.848 483 H HA -0.008 4.549 4.556 0.001 0.000 0.341 483 H C -0.827 174.493 175.328 -0.014 0.000 1.060 483 H CA -0.492 55.557 56.048 0.002 0.000 1.444 483 H CB 0.899 30.656 29.762 -0.009 0.000 1.446 483 H HN 0.492 nan 8.280 nan 0.000 0.583 484 D N 4.566 124.767 120.400 -0.333 0.000 2.383 484 D HA -0.003 4.638 4.640 0.001 0.000 0.275 484 D C -0.090 176.131 176.300 -0.130 0.000 1.344 484 D CA 0.558 54.441 54.000 -0.195 0.000 0.984 484 D CB 0.044 40.711 40.800 -0.222 0.000 1.104 484 D HN 0.355 nan 8.370 nan 0.000 0.524 485 T N 2.326 116.792 114.554 -0.148 0.000 2.824 485 T HA 0.196 4.547 4.350 0.001 0.000 0.280 485 T C 0.447 174.892 174.700 -0.426 0.000 0.995 485 T CA -0.862 61.032 62.100 -0.343 0.000 1.009 485 T CB 1.231 69.679 68.868 -0.700 0.000 0.955 485 T HN 0.127 nan 8.240 nan 0.000 0.452 486 N N 2.343 120.829 118.700 -0.358 0.000 2.589 486 N HA 0.194 4.935 4.740 0.001 0.000 0.232 486 N C 0.070 175.417 175.510 -0.272 0.000 1.015 486 N CA -0.549 52.358 53.050 -0.238 0.000 0.931 486 N CB 0.077 38.496 38.487 -0.114 0.000 1.150 486 N HN 0.429 nan 8.380 nan 0.000 0.512 487 F N 1.783 121.698 119.950 -0.059 0.000 2.325 487 F HA 0.065 4.593 4.527 0.001 0.000 0.299 487 F C 2.285 178.015 175.800 -0.117 0.000 1.090 487 F CA 0.659 58.592 58.000 -0.111 0.000 1.392 487 F CB -0.255 38.592 39.000 -0.254 0.000 1.053 487 F HN 0.574 nan 8.300 nan 0.000 0.521 488 A N 0.166 123.023 122.820 0.062 0.000 1.902 488 A HA -0.183 4.138 4.320 0.001 0.000 0.217 488 A C 2.403 180.014 177.584 0.046 0.000 1.181 488 A CA 1.399 53.456 52.037 0.033 0.000 0.623 488 A CB -0.626 18.378 19.000 0.006 0.000 0.818 488 A HN 0.242 nan 8.150 nan 0.000 0.443 489 R N -0.660 119.853 120.500 0.022 0.000 2.081 489 R HA -0.061 4.280 4.340 0.001 0.000 0.235 489 R C 1.999 178.336 176.300 0.061 0.000 1.131 489 R CA 1.554 57.669 56.100 0.026 0.000 0.960 489 R CB -0.402 29.895 30.300 -0.005 0.000 0.856 489 R HN 0.616 nan 8.270 nan 0.000 0.436 490 I N 0.248 120.860 120.570 0.070 0.000 2.252 490 I HA -0.256 3.915 4.170 0.001 0.000 0.245 490 I C 2.555 178.810 176.117 0.230 0.000 1.102 490 I CA 1.174 62.554 61.300 0.132 0.000 1.385 490 I CB -0.353 37.737 38.000 0.150 0.000 1.064 490 I HN 0.186 nan 8.210 nan 0.000 0.414 491 A N 0.490 123.452 122.820 0.236 0.000 1.865 491 A HA -0.232 4.089 4.320 0.001 0.000 0.217 491 A C 2.245 179.999 177.584 0.283 0.000 1.191 491 A CA 1.668 53.954 52.037 0.415 0.000 0.623 491 A CB -0.546 18.645 19.000 0.319 0.000 0.826 491 A HN 0.361 nan 8.150 nan 0.000 0.444 492 E N -0.220 120.079 120.200 0.166 0.000 2.118 492 E HA -0.182 4.169 4.350 0.001 0.000 0.195 492 E C 2.268 178.931 176.600 0.106 0.000 0.992 492 E CA 1.267 57.734 56.400 0.111 0.000 0.804 492 E CB -0.490 29.252 29.700 0.071 0.000 0.741 492 E HN 0.606 nan 8.360 nan 0.000 0.458 493 A N 0.361 123.252 122.820 0.118 0.000 2.067 493 A HA -0.128 4.193 4.320 0.001 0.000 0.219 493 A C 2.313 179.965 177.584 0.113 0.000 1.158 493 A CA 0.891 52.988 52.037 0.100 0.000 0.661 493 A CB -0.407 18.650 19.000 0.094 0.000 0.801 493 A HN 0.304 nan 8.150 nan 0.000 0.452 494 C N -1.303 118.096 119.300 0.165 0.000 2.626 494 C HA 0.446 4.907 4.460 0.001 0.000 0.266 494 C C 1.962 176.989 174.990 0.062 0.000 1.317 494 C CA 0.223 59.324 59.018 0.137 0.000 1.716 494 C CB -1.062 26.816 27.740 0.230 0.000 1.819 494 C HN 1.026 nan 8.230 nan 0.000 0.578 495 G N 0.943 109.785 108.800 0.070 0.000 2.141 495 G HA2 -0.235 3.725 3.960 0.001 0.000 0.242 495 G HA3 -0.235 3.725 3.960 0.001 0.000 0.242 495 G C -0.128 174.788 174.900 0.028 0.000 0.982 495 G CA -0.082 45.040 45.100 0.037 0.000 0.662 495 G HN 0.534 nan 8.290 nan 0.000 0.527 496 I N 1.471 122.078 120.570 0.061 0.000 2.460 496 I HA 0.341 4.511 4.170 0.001 0.000 0.298 496 I C 0.915 177.101 176.117 0.114 0.000 0.989 496 I CA -0.818 60.526 61.300 0.074 0.000 1.173 496 I CB 1.634 39.687 38.000 0.089 0.000 1.338 496 I HN 0.014 nan 8.210 nan 0.000 0.456 497 T N 4.334 118.936 114.554 0.081 0.000 2.871 497 T HA 0.233 4.583 4.350 0.001 0.000 0.296 497 T C 0.303 175.053 174.700 0.084 0.000 0.998 497 T CA -0.216 61.924 62.100 0.066 0.000 1.162 497 T CB 0.199 69.091 68.868 0.040 0.000 0.947 497 T HN 0.816 nan 8.240 nan 0.000 0.536 498 G N 2.488 111.326 108.800 0.063 0.000 2.530 498 G HA2 0.655 4.616 3.960 0.001 0.000 0.316 498 G HA3 0.655 4.616 3.960 0.001 0.000 0.316 498 G C -0.790 174.114 174.900 0.007 0.000 1.298 498 G CA -0.759 44.369 45.100 0.047 0.000 0.948 498 G HN 0.748 nan 8.290 nan 0.000 0.486 499 I N 1.625 122.184 120.570 -0.019 0.000 2.410 499 I HA 0.366 4.537 4.170 0.001 0.000 0.286 499 I C -0.061 176.026 176.117 -0.050 0.000 1.009 499 I CA -0.995 60.280 61.300 -0.042 0.000 1.111 499 I CB 2.136 40.095 38.000 -0.069 0.000 1.262 499 I HN 0.332 nan 8.210 nan 0.000 0.443 500 R N 5.936 126.410 120.500 -0.043 0.000 2.221 500 R HA 0.560 4.901 4.340 0.001 0.000 0.327 500 R C -1.546 174.719 176.300 -0.058 0.000 1.033 500 R CA -0.266 55.807 56.100 -0.044 0.000 0.887 500 R CB 0.949 31.229 30.300 -0.032 0.000 1.057 500 R HN 0.448 nan 8.270 nan 0.000 0.455 501 V N 5.595 125.467 119.914 -0.070 0.000 2.409 501 V HA 0.330 4.451 4.120 0.001 0.000 0.291 501 V C 0.273 176.324 176.094 -0.071 0.000 1.020 501 V CA -0.405 61.848 62.300 -0.078 0.000 0.848 501 V CB 1.531 33.291 31.823 -0.104 0.000 0.990 501 V HN 0.958 nan 8.190 nan 0.000 0.430 502 E N 2.308 122.470 120.200 -0.063 0.000 2.474 502 E HA 0.222 4.573 4.350 0.001 0.000 0.215 502 E C -0.059 176.502 176.600 -0.066 0.000 0.867 502 E CA -0.068 56.295 56.400 -0.061 0.000 1.135 502 E CB 1.007 30.676 29.700 -0.052 0.000 1.147 502 E HN 0.556 nan 8.360 nan 0.000 0.534 503 K N 0.480 120.843 120.400 -0.061 0.000 2.182 503 K HA 0.474 4.795 4.320 0.001 0.000 0.262 503 K C 0.428 176.998 176.600 -0.051 0.000 0.957 503 K CA -0.196 56.053 56.287 -0.064 0.000 0.842 503 K CB 1.790 34.256 32.500 -0.057 0.000 1.099 503 K HN -0.076 nan 8.250 nan 0.000 0.438 504 A N 1.564 124.344 122.820 -0.066 0.000 1.978 504 A HA -0.189 4.131 4.320 0.001 0.000 0.220 504 A C 1.990 179.602 177.584 0.046 0.000 1.170 504 A CA 2.249 54.276 52.037 -0.016 0.000 0.636 504 A CB -0.655 18.238 19.000 -0.179 0.000 0.810 504 A HN 0.796 nan 8.150 nan 0.000 0.448 505 S N -0.253 115.438 115.700 -0.015 0.000 2.474 505 S HA -0.113 4.357 4.470 0.001 0.000 0.235 505 S C 1.336 175.939 174.600 0.005 0.000 0.997 505 S CA 1.218 59.419 58.200 0.001 0.000 0.949 505 S CB -0.339 62.845 63.200 -0.027 0.000 0.766 505 S HN 0.710 nan 8.310 nan 0.000 0.517 506 E N 0.656 120.848 120.200 -0.013 0.000 2.442 506 E HA 0.096 4.447 4.350 0.001 0.000 0.195 506 E C 1.700 178.266 176.600 -0.056 0.000 1.030 506 E CA 0.262 56.638 56.400 -0.040 0.000 0.869 506 E CB -0.056 29.613 29.700 -0.053 0.000 0.857 506 E HN 0.364 nan 8.360 nan 0.000 0.505 507 V N 1.958 121.861 119.914 -0.019 0.000 2.261 507 V HA -0.279 3.842 4.120 0.001 0.000 0.246 507 V C 1.674 177.697 176.094 -0.118 0.000 1.047 507 V CA 2.097 64.357 62.300 -0.066 0.000 1.015 507 V CB -0.357 31.447 31.823 -0.032 0.000 0.642 507 V HN 0.206 nan 8.190 nan 0.000 0.446 508 D N -0.020 120.352 120.400 -0.048 0.000 2.106 508 D HA -0.221 4.420 4.640 0.001 0.000 0.191 508 D C 2.159 178.237 176.300 -0.370 0.000 0.997 508 D CA 1.877 55.808 54.000 -0.116 0.000 0.834 508 D CB -0.320 40.531 40.800 0.086 0.000 0.956 508 D HN 0.743 nan 8.370 nan 0.000 0.448 509 E N 0.848 120.911 120.200 -0.229 0.000 2.150 509 E HA -0.063 4.288 4.350 0.001 0.000 0.193 509 E C 1.839 178.280 176.600 -0.266 0.000 0.985 509 E CA 1.484 57.739 56.400 -0.241 0.000 0.814 509 E CB -0.295 29.321 29.700 -0.141 0.000 0.752 509 E HN 0.158 nan 8.360 nan 0.000 0.466 510 A N 1.132 123.809 122.820 -0.238 0.000 1.902 510 A HA -0.063 4.258 4.320 0.001 0.000 0.217 510 A C 2.311 179.681 177.584 -0.357 0.000 1.181 510 A CA 1.436 53.330 52.037 -0.239 0.000 0.623 510 A CB -0.718 18.169 19.000 -0.189 0.000 0.818 510 A HN 0.341 nan 8.150 nan 0.000 0.443 511 L N -0.993 119.951 121.223 -0.466 0.000 2.056 511 L HA -0.231 4.110 4.340 0.001 0.000 0.207 511 L C 2.904 179.220 176.870 -0.924 0.000 1.078 511 L CA 1.495 55.874 54.840 -0.768 0.000 0.749 511 L CB -0.651 41.044 42.059 -0.608 0.000 0.901 511 L HN 0.477 nan 8.230 nan 0.000 0.433 512 Q N -0.488 118.892 119.800 -0.701 0.000 2.084 512 Q HA -0.219 4.122 4.340 0.001 0.000 0.202 512 Q C 2.397 178.232 176.000 -0.276 0.000 0.978 512 Q CA 1.321 56.833 55.803 -0.485 0.000 0.844 512 Q CB -0.118 28.319 28.738 -0.502 0.000 0.898 512 Q HN 0.350 nan 8.270 nan 0.000 0.426 513 R N 0.177 120.521 120.500 -0.261 0.000 2.073 513 R HA -0.131 4.210 4.340 0.001 0.000 0.234 513 R C 2.237 178.464 176.300 -0.122 0.000 1.134 513 R CA 1.215 57.224 56.100 -0.152 0.000 0.952 513 R CB -0.293 29.926 30.300 -0.135 0.000 0.850 513 R HN 0.242 nan 8.270 nan 0.000 0.433 514 A N 0.604 123.302 122.820 -0.204 0.000 1.908 514 A HA -0.182 4.139 4.320 0.001 0.000 0.218 514 A C 1.872 179.508 177.584 0.085 0.000 1.181 514 A CA 1.402 53.373 52.037 -0.110 0.000 0.627 514 A CB -0.633 18.239 19.000 -0.212 0.000 0.818 514 A HN 0.291 nan 8.150 nan 0.000 0.445 515 F N 0.670 120.598 119.950 -0.037 0.000 2.259 515 F HA -0.025 4.503 4.527 0.001 0.000 0.298 515 F C 2.666 178.451 175.800 -0.025 0.000 1.088 515 F CA 0.822 58.809 58.000 -0.023 0.000 1.358 515 F CB -1.048 37.945 39.000 -0.011 0.000 1.040 515 F HN 0.157 nan 8.300 nan 0.000 0.505 516 S N -0.132 115.650 115.700 0.136 0.000 2.414 516 S HA 0.057 4.528 4.470 0.001 0.000 0.227 516 S C 1.029 175.657 174.600 0.046 0.000 1.022 516 S CA 0.038 58.278 58.200 0.067 0.000 0.958 516 S CB -0.283 62.931 63.200 0.023 0.000 0.797 516 S HN 0.086 nan 8.310 nan 0.000 0.493 517 I N 3.063 123.658 120.570 0.041 0.000 2.752 517 I HA -0.069 4.101 4.170 0.001 0.000 0.289 517 I C 0.378 176.515 176.117 0.034 0.000 1.197 517 I CA 0.074 61.391 61.300 0.029 0.000 1.432 517 I CB 0.278 38.292 38.000 0.024 0.000 1.359 517 I HN 0.012 nan 8.210 nan 0.000 0.571 518 D N 6.075 126.488 120.400 0.022 0.000 2.671 518 D HA 0.385 5.026 4.640 0.001 0.000 0.228 518 D C 0.117 176.427 176.300 0.017 0.000 1.102 518 D CA 0.463 54.473 54.000 0.018 0.000 1.044 518 D CB -0.267 40.539 40.800 0.011 0.000 1.113 518 D HN 0.718 nan 8.370 nan 0.000 0.480 519 G N 1.442 110.256 108.800 0.025 0.000 2.315 519 G HA2 0.198 4.159 3.960 0.001 0.000 0.294 519 G HA3 0.198 4.159 3.960 0.001 0.000 0.294 519 G C -3.154 171.769 174.900 0.038 0.000 1.300 519 G CA -0.999 44.114 45.100 0.023 0.000 0.843 519 G HN 0.033 nan 8.290 nan 0.000 0.527 520 P HA 0.567 nan 4.420 nan 0.000 0.274 520 P C -0.663 176.687 177.300 0.083 0.000 1.231 520 P CA -0.313 62.823 63.100 0.059 0.000 0.790 520 P CB 1.821 33.539 31.700 0.030 0.000 0.951 521 V N 2.907 122.892 119.914 0.118 0.000 2.888 521 V HA 0.364 4.485 4.120 0.001 0.000 0.309 521 V C -0.256 175.916 176.094 0.131 0.000 1.114 521 V CA -0.760 61.607 62.300 0.111 0.000 0.940 521 V CB 2.285 34.152 31.823 0.072 0.000 1.021 521 V HN 0.450 nan 8.190 nan 0.000 0.426 522 L N 4.444 125.736 121.223 0.116 0.000 2.305 522 L HA 0.738 5.079 4.340 0.001 0.000 0.284 522 L C -0.978 175.869 176.870 -0.039 0.000 1.013 522 L CA -0.445 54.410 54.840 0.024 0.000 0.819 522 L CB 1.584 43.628 42.059 -0.024 0.000 1.227 522 L HN 0.525 nan 8.230 nan 0.000 0.417 523 V N 3.720 123.587 119.914 -0.079 0.000 2.333 523 V HA 0.260 4.380 4.120 0.001 0.000 0.274 523 V C -0.482 175.530 176.094 -0.137 0.000 1.028 523 V CA -0.526 61.711 62.300 -0.106 0.000 0.851 523 V CB 1.257 33.003 31.823 -0.129 0.000 1.000 523 V HN 0.651 nan 8.190 nan 0.000 0.456 524 D N 4.825 125.161 120.400 -0.106 0.000 2.428 524 D HA 0.336 4.976 4.640 0.001 0.000 0.221 524 D C -0.531 175.720 176.300 -0.082 0.000 1.123 524 D CA -0.093 53.861 54.000 -0.077 0.000 0.869 524 D CB 1.334 42.140 40.800 0.010 0.000 1.032 524 D HN 0.280 nan 8.370 nan 0.000 0.506 525 V N 4.579 124.414 119.914 -0.132 0.000 2.328 525 V HA 0.216 4.337 4.120 0.001 0.000 0.278 525 V C 0.480 176.512 176.094 -0.104 0.000 1.021 525 V CA -1.028 61.179 62.300 -0.155 0.000 0.838 525 V CB 1.519 33.175 31.823 -0.278 0.000 0.999 525 V HN 0.293 nan 8.190 nan 0.000 0.447 526 V N 6.859 126.735 119.914 -0.064 0.000 2.425 526 V HA 0.175 4.296 4.120 0.001 0.000 0.276 526 V C 0.341 176.407 176.094 -0.046 0.000 1.017 526 V CA 0.154 62.435 62.300 -0.032 0.000 1.062 526 V CB 0.934 32.739 31.823 -0.030 0.000 0.997 526 V HN 0.757 nan 8.190 nan 0.000 0.476 527 V N 3.041 122.950 119.914 -0.009 0.000 2.815 527 V HA 0.991 5.112 4.120 0.001 0.000 0.314 527 V C 0.347 176.465 176.094 0.041 0.000 1.064 527 V CA -0.838 61.462 62.300 -0.000 0.000 0.952 527 V CB 1.615 33.460 31.823 0.036 0.000 1.020 527 V HN 0.892 nan 8.190 nan 0.000 0.439 528 A N 3.142 125.981 122.820 0.032 0.000 2.386 528 A HA 0.502 4.823 4.320 0.001 0.000 0.246 528 A C 0.409 178.068 177.584 0.124 0.000 1.089 528 A CA -0.487 51.589 52.037 0.065 0.000 0.790 528 A CB 0.110 19.156 19.000 0.076 0.000 1.042 528 A HN 0.901 nan 8.150 nan 0.000 0.497 529 K N 1.973 122.444 120.400 0.119 0.000 2.227 529 K HA 0.406 4.727 4.320 0.001 0.000 0.280 529 K C -0.545 176.148 176.600 0.154 0.000 1.041 529 K CA -0.290 56.084 56.287 0.145 0.000 0.905 529 K CB 1.191 33.755 32.500 0.106 0.000 1.068 529 K HN 0.675 nan 8.250 nan 0.000 0.470 530 E N 2.077 122.407 120.200 0.217 0.000 2.390 530 E HA 0.332 4.683 4.350 0.001 0.000 0.249 530 E C -0.457 176.258 176.600 0.191 0.000 0.981 530 E CA -0.736 55.789 56.400 0.208 0.000 0.860 530 E CB 1.537 31.405 29.700 0.281 0.000 1.278 530 E HN 0.451 nan 8.360 nan 0.000 0.416 531 E N 0.305 120.603 120.200 0.163 0.000 2.235 531 E HA 0.295 4.646 4.350 0.001 0.000 0.265 531 E C 1.013 177.701 176.600 0.148 0.000 0.940 531 E CA -0.438 56.034 56.400 0.120 0.000 0.819 531 E CB 1.737 31.477 29.700 0.066 0.000 1.206 531 E HN 0.241 nan 8.360 nan 0.000 0.409 532 L N 0.899 122.165 121.223 0.071 0.000 2.007 532 L HA 0.020 4.361 4.340 0.001 0.000 0.205 532 L C 1.152 178.051 176.870 0.048 0.000 1.073 532 L CA 0.600 55.464 54.840 0.040 0.000 0.744 532 L CB -0.291 41.748 42.059 -0.034 0.000 0.898 532 L HN 0.548 nan 8.230 nan 0.000 0.435 533 A N 0.667 123.497 122.820 0.018 0.000 2.567 533 A HA 0.194 4.515 4.320 0.001 0.000 0.240 533 A C -0.244 177.353 177.584 0.022 0.000 1.053 533 A CA 0.228 52.267 52.037 0.003 0.000 0.755 533 A CB -0.446 18.546 19.000 -0.014 0.000 0.978 533 A HN 0.233 nan 8.150 nan 0.000 0.507 534 I N 3.794 124.373 120.570 0.016 0.000 2.359 534 I HA 0.302 4.472 4.170 0.001 0.000 0.294 534 I C -1.858 174.261 176.117 0.004 0.000 0.987 534 I CA -1.914 59.396 61.300 0.016 0.000 1.225 534 I CB 1.485 39.494 38.000 0.015 0.000 1.366 534 I HN 0.471 nan 8.210 nan 0.000 0.466 535 P HA 0.143 nan 4.420 nan 0.000 0.264 535 P C -2.273 175.028 177.300 0.001 0.000 1.193 535 P CA -0.580 62.518 63.100 -0.004 0.000 0.763 535 P CB -0.357 31.336 31.700 -0.012 0.000 0.810 536 P HA 0.000 nan 4.420 nan 0.000 0.216 536 P CA 0.000 63.112 63.100 0.019 0.000 0.800 536 P CB 0.000 31.716 31.700 0.028 0.000 0.726