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_F 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 ELAIP 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 0.000 176.325 176.300 0.041 0.000 1.140 1 M CA 0.000 55.325 55.300 0.041 0.000 0.988 1 M CB 0.000 32.623 32.600 0.038 0.000 1.302 2 K N 1.639 122.058 120.400 0.032 0.000 2.285 2 K HA 0.598 4.920 4.320 0.003 0.000 0.286 2 K C -0.368 176.253 176.600 0.035 0.000 1.072 2 K CA -0.237 56.066 56.287 0.027 0.000 0.913 2 K CB 0.525 33.035 32.500 0.018 0.000 1.067 2 K HN 0.674 nan 8.250 nan 0.000 0.479 3 Q N 0.142 119.968 119.800 0.043 0.000 2.630 3 Q HA 0.305 4.647 4.340 0.003 0.000 0.295 3 Q C -0.863 175.168 176.000 0.052 0.000 0.944 3 Q CA -1.148 54.686 55.803 0.052 0.000 0.766 3 Q CB 1.056 29.841 28.738 0.079 0.000 1.471 3 Q HN 0.555 nan 8.270 nan 0.000 0.416 4 T N -1.910 112.675 114.554 0.052 0.000 2.868 4 T HA 0.223 4.575 4.350 0.003 0.000 0.292 4 T C 1.306 176.054 174.700 0.080 0.000 1.028 4 T CA -0.264 61.864 62.100 0.048 0.000 1.059 4 T CB 0.956 69.845 68.868 0.035 0.000 0.991 4 T HN 0.433 nan 8.240 nan 0.000 0.531 5 V N 2.021 121.973 119.914 0.063 0.000 2.324 5 V HA -0.207 3.915 4.120 0.003 0.000 0.250 5 V C 3.071 179.247 176.094 0.137 0.000 1.060 5 V CA 2.509 64.862 62.300 0.090 0.000 1.042 5 V CB -1.637 30.217 31.823 0.052 0.000 0.650 5 V HN 1.098 nan 8.190 nan 0.000 0.450 6 A N -0.279 122.593 122.820 0.088 0.000 1.933 6 A HA -0.116 4.206 4.320 0.003 0.000 0.218 6 A C 2.416 180.044 177.584 0.074 0.000 1.175 6 A CA 2.098 54.179 52.037 0.073 0.000 0.628 6 A CB -0.743 18.280 19.000 0.040 0.000 0.814 6 A HN 0.598 nan 8.150 nan 0.000 0.444 7 A N -1.489 121.378 122.820 0.077 0.000 1.933 7 A HA -0.101 4.221 4.320 0.003 0.000 0.218 7 A C 2.128 179.760 177.584 0.080 0.000 1.175 7 A CA 1.625 53.700 52.037 0.063 0.000 0.628 7 A CB -0.809 18.227 19.000 0.060 0.000 0.814 7 A HN 0.761 nan 8.150 nan 0.000 0.444 8 Y N 0.610 120.922 120.300 0.020 0.000 2.181 8 Y HA -0.207 4.345 4.550 0.003 0.000 0.288 8 Y C 1.963 177.877 175.900 0.024 0.000 1.146 8 Y CA 1.855 59.972 58.100 0.027 0.000 1.164 8 Y CB -0.270 38.209 38.460 0.031 0.000 0.982 8 Y HN 0.275 nan 8.280 nan 0.000 0.515 9 I N 0.226 120.830 120.570 0.057 0.000 2.163 9 I HA -0.357 3.815 4.170 0.003 0.000 0.243 9 I C 2.714 178.768 176.117 -0.104 0.000 1.085 9 I CA 1.354 62.634 61.300 -0.033 0.000 1.347 9 I CB -0.847 37.190 38.000 0.062 0.000 1.044 9 I HN 0.359 nan 8.210 nan 0.000 0.408 10 A N 0.421 123.211 122.820 -0.050 0.000 1.902 10 A HA -0.203 4.119 4.320 0.003 0.000 0.217 10 A C 2.348 179.881 177.584 -0.085 0.000 1.181 10 A CA 1.489 53.498 52.037 -0.048 0.000 0.623 10 A CB -0.391 18.601 19.000 -0.013 0.000 0.818 10 A HN 0.194 nan 8.150 nan 0.000 0.443 11 K N -0.562 119.776 120.400 -0.104 0.000 2.097 11 K HA -0.093 4.228 4.320 0.003 0.000 0.206 11 K C 2.107 178.613 176.600 -0.156 0.000 1.049 11 K CA 1.819 58.041 56.287 -0.107 0.000 0.933 11 K CB -0.772 31.675 32.500 -0.088 0.000 0.717 11 K HN 0.544 nan 8.250 nan 0.000 0.442 12 T N 2.204 116.597 114.554 -0.270 0.000 2.777 12 T HA -0.047 4.305 4.350 0.003 0.000 0.266 12 T C 2.032 176.596 174.700 -0.227 0.000 1.040 12 T CA 0.870 62.810 62.100 -0.265 0.000 1.141 12 T CB -0.140 68.487 68.868 -0.403 0.000 0.868 12 T HN 0.109 nan 8.240 nan 0.000 0.444 13 L N 0.861 121.953 121.223 -0.218 0.000 2.042 13 L HA -0.126 4.216 4.340 0.003 0.000 0.210 13 L C 2.817 179.589 176.870 -0.164 0.000 1.076 13 L CA 1.511 56.223 54.840 -0.213 0.000 0.749 13 L CB -0.594 41.377 42.059 -0.147 0.000 0.893 13 L HN 0.357 nan 8.230 nan 0.000 0.432 14 E N -0.135 119.997 120.200 -0.114 0.000 2.085 14 E HA -0.280 4.072 4.350 0.003 0.000 0.194 14 E C 2.330 178.885 176.600 -0.075 0.000 0.994 14 E CA 1.643 57.996 56.400 -0.078 0.000 0.801 14 E CB 0.013 29.682 29.700 -0.052 0.000 0.743 14 E HN 0.329 nan 8.360 nan 0.000 0.453 15 S N -0.506 115.147 115.700 -0.078 0.000 2.402 15 S HA -0.045 4.426 4.470 0.003 0.000 0.229 15 S C 1.840 176.406 174.600 -0.057 0.000 1.021 15 S CA 0.979 59.148 58.200 -0.051 0.000 0.974 15 S CB -0.142 63.038 63.200 -0.034 0.000 0.800 15 S HN 0.395 nan 8.310 nan 0.000 0.484 16 A N -0.189 122.541 122.820 -0.151 0.000 2.235 16 A HA 0.458 4.780 4.320 0.003 0.000 0.208 16 A C 1.661 179.158 177.584 -0.143 0.000 1.172 16 A CA 0.935 52.819 52.037 -0.254 0.000 0.786 16 A CB -1.108 17.427 19.000 -0.775 0.000 0.804 16 A HN 1.376 nan 8.150 nan 0.000 0.479 17 G N -1.225 107.512 108.800 -0.105 0.000 2.157 17 G HA2 -0.129 3.833 3.960 0.003 0.000 0.248 17 G HA3 -0.129 3.833 3.960 0.003 0.000 0.248 17 G C 0.487 175.341 174.900 -0.077 0.000 0.979 17 G CA 0.481 45.536 45.100 -0.076 0.000 0.650 17 G HN 1.781 nan 8.290 nan 0.000 0.529 18 V N -0.304 119.551 119.914 -0.098 0.000 2.673 18 V HA 0.579 4.701 4.120 0.003 0.000 0.303 18 V C 1.193 177.254 176.094 -0.055 0.000 1.046 18 V CA 1.379 63.635 62.300 -0.073 0.000 1.126 18 V CB 1.162 32.936 31.823 -0.081 0.000 0.934 18 V HN 0.346 nan 8.190 nan 0.000 0.487 19 K N 4.992 125.367 120.400 -0.043 0.000 2.370 19 K HA 0.291 4.613 4.320 0.003 0.000 0.194 19 K C 0.384 176.938 176.600 -0.077 0.000 1.070 19 K CA 0.267 56.525 56.287 -0.049 0.000 0.998 19 K CB 0.382 32.860 32.500 -0.036 0.000 0.911 19 K HN 0.896 nan 8.250 nan 0.000 0.533 20 R N 0.155 120.599 120.500 -0.093 0.000 2.692 20 R HA 0.484 4.826 4.340 0.003 0.000 0.269 20 R C -1.419 174.765 176.300 -0.192 0.000 1.030 20 R CA -0.767 55.214 56.100 -0.199 0.000 0.882 20 R CB 1.001 31.080 30.300 -0.368 0.000 1.250 20 R HN -0.143 nan 8.270 nan 0.000 0.465 21 I N 1.163 121.571 120.570 -0.270 0.000 2.465 21 I HA 0.392 4.564 4.170 0.003 0.000 0.291 21 I C -1.090 174.670 176.117 -0.595 0.000 1.014 21 I CA -0.742 60.421 61.300 -0.228 0.000 1.093 21 I CB 1.665 39.659 38.000 -0.010 0.000 1.267 21 I HN 0.479 nan 8.210 nan 0.000 0.431 22 W N 5.014 126.064 121.300 -0.416 0.000 2.390 22 W HA 0.704 5.366 4.660 0.003 0.000 0.312 22 W C 0.603 176.773 176.519 -0.580 0.000 1.123 22 W CA 0.005 57.052 57.345 -0.498 0.000 1.202 22 W CB 1.604 30.911 29.460 -0.255 0.000 1.251 22 W HN 0.614 nan 8.180 nan 0.000 0.511 23 G N 0.230 108.697 108.800 -0.555 0.000 2.428 23 G HA2 0.525 4.487 3.960 0.003 0.000 0.305 23 G HA3 0.525 4.487 3.960 0.003 0.000 0.305 23 G C -2.159 172.770 174.900 0.049 0.000 1.260 23 G CA -0.809 44.163 45.100 -0.213 0.000 0.853 23 G HN 0.262 nan 8.290 nan 0.000 0.480 24 V N 1.056 121.160 119.914 0.318 0.000 2.656 24 V HA 0.630 4.752 4.120 0.003 0.000 0.307 24 V C 0.888 177.250 176.094 0.447 0.000 1.051 24 V CA -0.104 62.425 62.300 0.380 0.000 0.893 24 V CB 1.404 33.354 31.823 0.212 0.000 0.999 24 V HN 1.284 nan 8.190 nan 0.000 0.426 25 T N 1.330 116.096 114.554 0.354 0.000 2.652 25 T HA 0.701 5.053 4.350 0.003 0.000 0.319 25 T C 0.323 175.065 174.700 0.070 0.000 1.029 25 T CA 0.229 62.385 62.100 0.093 0.000 0.990 25 T CB 1.216 70.020 68.868 -0.105 0.000 1.098 25 T HN 1.520 nan 8.240 nan 0.000 0.520 26 G N -0.861 107.944 108.800 0.008 0.000 2.387 26 G HA2 0.399 4.361 3.960 0.003 0.000 0.294 26 G HA3 0.399 4.361 3.960 0.003 0.000 0.294 26 G C -0.433 174.466 174.900 -0.000 0.000 1.509 26 G CA -0.569 44.543 45.100 0.021 0.000 0.806 26 G HN 0.482 nan 8.290 nan 0.000 0.546 27 D N 0.201 120.612 120.400 0.019 0.000 2.182 27 D HA -0.100 4.542 4.640 0.003 0.000 0.201 27 D C 2.700 179.009 176.300 0.015 0.000 0.986 27 D CA 1.989 55.998 54.000 0.015 0.000 0.847 27 D CB 0.128 40.952 40.800 0.039 0.000 0.942 27 D HN 0.408 nan 8.370 nan 0.000 0.467 28 S N -0.597 115.122 115.700 0.031 0.000 2.547 28 S HA -0.036 4.436 4.470 0.003 0.000 0.235 28 S C 1.633 176.247 174.600 0.022 0.000 0.980 28 S CA 0.323 58.543 58.200 0.034 0.000 0.941 28 S CB -0.186 63.044 63.200 0.051 0.000 0.763 28 S HN 0.242 nan 8.310 nan 0.000 0.532 29 L N 0.945 122.168 121.223 -0.001 0.000 2.700 29 L HA 0.304 4.646 4.340 0.003 0.000 0.234 29 L C 1.428 178.254 176.870 -0.074 0.000 1.156 29 L CA -0.245 54.578 54.840 -0.028 0.000 0.946 29 L CB -0.237 41.795 42.059 -0.046 0.000 1.216 29 L HN 0.127 nan 8.230 nan 0.000 0.493 30 N N 1.120 119.787 118.700 -0.055 0.000 2.069 30 N HA -0.160 4.582 4.740 0.003 0.000 0.191 30 N C 1.947 177.421 175.510 -0.060 0.000 1.031 30 N CA 1.626 54.636 53.050 -0.066 0.000 0.852 30 N CB -0.387 38.076 38.487 -0.040 0.000 1.018 30 N HN 0.358 nan 8.380 nan 0.000 0.423 31 G N 1.151 109.931 108.800 -0.032 0.000 2.491 31 G HA2 -0.233 3.729 3.960 0.003 0.000 0.218 31 G HA3 -0.233 3.729 3.960 0.003 0.000 0.218 31 G C 1.584 176.468 174.900 -0.027 0.000 1.180 31 G CA 0.836 45.925 45.100 -0.019 0.000 0.774 31 G HN 0.282 nan 8.290 nan 0.000 0.562 32 L N 0.980 122.183 121.223 -0.032 0.000 2.017 32 L HA 0.015 4.357 4.340 0.003 0.000 0.208 32 L C 3.016 179.831 176.870 -0.092 0.000 1.073 32 L CA 2.406 57.225 54.840 -0.035 0.000 0.745 32 L CB -0.727 41.328 42.059 -0.006 0.000 0.894 32 L HN 0.188 nan 8.230 nan 0.000 0.432 33 S N -0.516 115.076 115.700 -0.180 0.000 2.359 33 S HA -0.236 4.236 4.470 0.003 0.000 0.224 33 S C 1.756 176.265 174.600 -0.152 0.000 1.035 33 S CA 1.442 59.487 58.200 -0.259 0.000 1.018 33 S CB -0.541 62.458 63.200 -0.334 0.000 0.876 33 S HN 0.566 nan 8.310 nan 0.000 0.448 34 D N 1.014 121.351 120.400 -0.105 0.000 2.116 34 D HA -0.083 4.559 4.640 0.003 0.000 0.193 34 D C 2.094 178.366 176.300 -0.047 0.000 0.998 34 D CA 1.354 55.314 54.000 -0.067 0.000 0.836 34 D CB -0.098 40.674 40.800 -0.046 0.000 0.951 34 D HN 0.326 nan 8.370 nan 0.000 0.449 35 S N 0.503 116.181 115.700 -0.036 0.000 2.368 35 S HA -0.118 4.353 4.470 0.003 0.000 0.225 35 S C 2.282 176.870 174.600 -0.019 0.000 1.030 35 S CA 0.591 58.781 58.200 -0.017 0.000 0.999 35 S CB -0.308 62.890 63.200 -0.003 0.000 0.844 35 S HN 0.290 nan 8.310 nan 0.000 0.459 36 L N 1.705 122.912 121.223 -0.028 0.000 2.046 36 L HA -0.123 4.219 4.340 0.003 0.000 0.208 36 L C 2.462 179.319 176.870 -0.022 0.000 1.077 36 L CA 0.935 55.767 54.840 -0.014 0.000 0.747 36 L CB -0.662 41.399 42.059 0.002 0.000 0.896 36 L HN 0.312 nan 8.230 nan 0.000 0.432 37 N N 0.098 118.772 118.700 -0.044 0.000 2.120 37 N HA -0.144 4.598 4.740 0.003 0.000 0.188 37 N C 1.942 177.437 175.510 -0.024 0.000 1.024 37 N CA 1.106 54.133 53.050 -0.039 0.000 0.852 37 N CB -0.052 38.402 38.487 -0.055 0.000 1.003 37 N HN 0.325 nan 8.380 nan 0.000 0.424 38 R N 0.429 120.916 120.500 -0.022 0.000 2.092 38 R HA -0.003 4.339 4.340 0.003 0.000 0.231 38 R C 2.159 178.454 176.300 -0.008 0.000 1.119 38 R CA 0.591 56.683 56.100 -0.013 0.000 0.970 38 R CB -0.484 29.810 30.300 -0.010 0.000 0.864 38 R HN 0.320 nan 8.270 nan 0.000 0.440 39 M N -0.043 119.552 119.600 -0.008 0.000 2.123 39 M HA -0.019 4.463 4.480 0.003 0.000 0.263 39 M C 0.861 177.158 176.300 -0.006 0.000 1.069 39 M CA 1.773 57.069 55.300 -0.006 0.000 1.133 39 M CB -0.086 32.510 32.600 -0.006 0.000 1.356 39 M HN 0.458 nan 8.290 nan 0.000 0.415 40 G N 0.020 108.816 108.800 -0.007 0.000 2.225 40 G HA2 -0.307 3.655 3.960 0.003 0.000 0.267 40 G HA3 -0.307 3.655 3.960 0.003 0.000 0.267 40 G C 0.494 175.389 174.900 -0.008 0.000 1.024 40 G CA 0.916 46.012 45.100 -0.007 0.000 0.784 40 G HN 0.572 nan 8.290 nan 0.000 0.507 41 T N -2.894 111.654 114.554 -0.009 0.000 3.125 41 T HA 0.440 4.792 4.350 0.003 0.000 0.252 41 T C 1.255 175.944 174.700 -0.019 0.000 0.981 41 T CA 0.312 62.404 62.100 -0.014 0.000 1.069 41 T CB 0.382 69.242 68.868 -0.014 0.000 1.091 41 T HN 0.358 nan 8.240 nan 0.000 0.460 42 I N 2.730 123.291 120.570 -0.015 0.000 2.496 42 I HA 0.280 4.451 4.170 0.003 0.000 0.285 42 I C 0.300 176.413 176.117 -0.007 0.000 1.080 42 I CA -0.388 60.900 61.300 -0.019 0.000 1.404 42 I CB 1.027 39.022 38.000 -0.009 0.000 1.403 42 I HN 0.408 nan 8.210 nan 0.000 0.539 43 E N 7.222 127.396 120.200 -0.044 0.000 2.227 43 E HA 0.075 4.427 4.350 0.003 0.000 0.282 43 E C -1.133 175.435 176.600 -0.054 0.000 1.015 43 E CA -0.728 55.643 56.400 -0.048 0.000 0.823 43 E CB 1.109 30.745 29.700 -0.106 0.000 1.081 43 E HN 0.563 nan 8.360 nan 0.000 0.396 44 W N 7.602 128.804 121.300 -0.164 0.000 2.335 44 W HA 0.208 4.870 4.660 0.003 0.000 0.306 44 W C -1.346 175.033 176.519 -0.233 0.000 1.216 44 W CA -0.822 56.420 57.345 -0.172 0.000 1.237 44 W CB 1.066 30.466 29.460 -0.099 0.000 1.243 44 W HN 0.465 nan 8.180 nan 0.000 0.493 45 M N 6.038 125.081 119.600 -0.929 0.000 2.047 45 M HA 0.067 4.549 4.480 0.003 0.000 0.342 45 M C -0.047 175.839 176.300 -0.691 0.000 1.058 45 M CA -0.309 54.496 55.300 -0.825 0.000 0.991 45 M CB 0.814 32.556 32.600 -1.429 0.000 1.474 45 M HN 0.273 nan 8.290 nan 0.000 0.419 46 S N 3.006 118.524 115.700 -0.304 0.000 2.430 46 S HA 0.496 4.968 4.470 0.003 0.000 0.289 46 S C 0.404 175.030 174.600 0.043 0.000 1.143 46 S CA -0.374 57.797 58.200 -0.048 0.000 1.067 46 S CB 0.338 63.668 63.200 0.218 0.000 0.964 46 S HN 0.762 nan 8.310 nan 0.000 0.485 47 T N 3.147 117.752 114.554 0.085 0.000 2.910 47 T HA 0.526 4.877 4.350 0.003 0.000 0.279 47 T C 1.091 175.870 174.700 0.132 0.000 0.989 47 T CA -0.891 61.289 62.100 0.134 0.000 0.968 47 T CB 0.725 69.695 68.868 0.170 0.000 1.135 47 T HN 0.435 nan 8.240 nan 0.000 0.562 48 R N -0.354 120.225 120.500 0.133 0.000 2.173 48 R HA 0.183 4.524 4.340 0.003 0.000 0.208 48 R C 0.495 176.889 176.300 0.157 0.000 1.035 48 R CA 0.681 56.858 56.100 0.129 0.000 1.004 48 R CB -0.673 29.694 30.300 0.112 0.000 0.917 48 R HN 0.764 nan 8.270 nan 0.000 0.462 49 H N 0.060 119.171 119.070 0.068 0.000 2.759 49 H HA 0.196 4.754 4.556 0.003 0.000 0.354 49 H C -0.108 175.263 175.328 0.072 0.000 1.074 49 H CA -0.278 55.795 56.048 0.042 0.000 1.226 49 H CB 1.796 31.527 29.762 -0.051 0.000 1.648 49 H HN -0.194 nan 8.280 nan 0.000 0.529 50 E N 2.417 122.746 120.200 0.215 0.000 2.265 50 E HA -0.158 4.194 4.350 0.003 0.000 0.196 50 E C 1.668 178.431 176.600 0.273 0.000 0.996 50 E CA 1.039 57.583 56.400 0.240 0.000 0.832 50 E CB 0.261 30.093 29.700 0.220 0.000 0.756 50 E HN 0.734 nan 8.360 nan 0.000 0.491 51 E N 0.343 120.821 120.200 0.463 0.000 2.085 51 E HA -0.204 4.148 4.350 0.003 0.000 0.194 51 E C 1.744 178.443 176.600 0.165 0.000 0.994 51 E CA 1.360 57.875 56.400 0.191 0.000 0.801 51 E CB 0.111 29.804 29.700 -0.012 0.000 0.743 51 E HN 0.129 nan 8.360 nan 0.000 0.453 52 V N 0.992 121.021 119.914 0.192 0.000 2.427 52 V HA -0.224 3.898 4.120 0.003 0.000 0.248 52 V C 2.400 178.531 176.094 0.061 0.000 1.051 52 V CA 1.562 63.959 62.300 0.163 0.000 1.048 52 V CB -0.652 31.234 31.823 0.105 0.000 0.666 52 V HN 0.441 nan 8.190 nan 0.000 0.456 53 A N 0.191 123.057 122.820 0.077 0.000 1.908 53 A HA -0.154 4.168 4.320 0.003 0.000 0.218 53 A C 2.430 179.942 177.584 -0.121 0.000 1.181 53 A CA 2.207 54.266 52.037 0.036 0.000 0.627 53 A CB -0.732 18.335 19.000 0.113 0.000 0.818 53 A HN 0.561 nan 8.150 nan 0.000 0.445 54 A N -1.203 121.565 122.820 -0.087 0.000 1.873 54 A HA 0.053 4.375 4.320 0.003 0.000 0.215 54 A C 1.940 179.387 177.584 -0.229 0.000 1.186 54 A CA 1.470 53.400 52.037 -0.179 0.000 0.616 54 A CB -0.762 18.116 19.000 -0.202 0.000 0.823 54 A HN 0.422 nan 8.150 nan 0.000 0.442 55 F N 0.388 120.233 119.950 -0.174 0.000 2.095 55 F HA -0.183 4.346 4.527 0.003 0.000 0.298 55 F C 2.833 178.437 175.800 -0.326 0.000 1.104 55 F CA 1.175 59.056 58.000 -0.199 0.000 1.232 55 F CB -0.700 38.203 39.000 -0.162 0.000 0.987 55 F HN 0.263 nan 8.300 nan 0.000 0.475 56 A N -0.245 122.392 122.820 -0.306 0.000 1.902 56 A HA -0.061 4.261 4.320 0.003 0.000 0.217 56 A C 2.417 179.464 177.584 -0.895 0.000 1.181 56 A CA 1.780 53.360 52.037 -0.763 0.000 0.623 56 A CB -1.353 16.802 19.000 -1.409 0.000 0.818 56 A HN 0.318 nan 8.150 nan 0.000 0.443 57 A N -0.414 121.893 122.820 -0.856 0.000 1.902 57 A HA 0.095 4.416 4.320 0.003 0.000 0.217 57 A C 2.432 179.877 177.584 -0.233 0.000 1.181 57 A CA 1.985 53.726 52.037 -0.494 0.000 0.623 57 A CB -1.451 17.406 19.000 -0.238 0.000 0.818 57 A HN 0.765 nan 8.150 nan 0.000 0.443 58 G N -0.523 108.159 108.800 -0.196 0.000 2.440 58 G HA2 -0.033 3.928 3.960 0.003 0.000 0.218 58 G HA3 -0.033 3.928 3.960 0.003 0.000 0.218 58 G C 1.723 176.576 174.900 -0.078 0.000 1.154 58 G CA 1.531 46.568 45.100 -0.105 0.000 0.767 58 G HN 0.823 nan 8.290 nan 0.000 0.552 59 A N 0.656 123.408 122.820 -0.113 0.000 1.898 59 A HA 0.004 4.326 4.320 0.003 0.000 0.216 59 A C 2.152 179.702 177.584 -0.057 0.000 1.181 59 A CA 1.971 53.959 52.037 -0.082 0.000 0.620 59 A CB -0.447 18.485 19.000 -0.112 0.000 0.819 59 A HN 0.505 nan 8.150 nan 0.000 0.442 60 E N 0.045 120.198 120.200 -0.079 0.000 2.051 60 E HA -0.140 4.212 4.350 0.003 0.000 0.192 60 E C 2.076 178.688 176.600 0.020 0.000 0.991 60 E CA 1.188 57.593 56.400 0.009 0.000 0.799 60 E CB -0.286 29.473 29.700 0.098 0.000 0.748 60 E HN 0.509 nan 8.360 nan 0.000 0.449 61 A N 0.605 123.428 122.820 0.004 0.000 1.930 61 A HA -0.232 4.090 4.320 0.003 0.000 0.217 61 A C 2.127 179.731 177.584 0.033 0.000 1.175 61 A CA 1.666 53.715 52.037 0.020 0.000 0.627 61 A CB -0.621 18.387 19.000 0.013 0.000 0.815 61 A HN 0.351 nan 8.150 nan 0.000 0.443 62 Q N -0.086 119.730 119.800 0.027 0.000 2.061 62 Q HA -0.106 4.236 4.340 0.003 0.000 0.204 62 Q C 1.820 177.855 176.000 0.058 0.000 0.984 62 Q CA 1.926 57.760 55.803 0.051 0.000 0.846 62 Q CB -0.411 28.353 28.738 0.043 0.000 0.902 62 Q HN 0.649 nan 8.270 nan 0.000 0.421 63 L N -0.351 120.896 121.223 0.039 0.000 2.095 63 L HA -0.065 4.276 4.340 0.003 0.000 0.204 63 L C 2.465 179.357 176.870 0.038 0.000 1.080 63 L CA 1.249 56.111 54.840 0.037 0.000 0.759 63 L CB -0.422 41.650 42.059 0.021 0.000 0.914 63 L HN 0.323 nan 8.230 nan 0.000 0.439 64 S N -0.802 114.918 115.700 0.034 0.000 2.470 64 S HA 0.066 4.538 4.470 0.003 0.000 0.225 64 S C 1.678 176.296 174.600 0.031 0.000 1.006 64 S CA 0.482 58.699 58.200 0.028 0.000 0.934 64 S CB 0.119 63.334 63.200 0.025 0.000 0.778 64 S HN 0.503 nan 8.310 nan 0.000 0.517 65 G N 0.462 109.288 108.800 0.044 0.000 2.155 65 G HA2 -0.244 3.718 3.960 0.003 0.000 0.257 65 G HA3 -0.244 3.718 3.960 0.003 0.000 0.257 65 G C -0.195 174.736 174.900 0.052 0.000 0.983 65 G CA 0.509 45.641 45.100 0.054 0.000 0.676 65 G HN 0.632 nan 8.290 nan 0.000 0.528 66 E N -1.373 118.850 120.200 0.038 0.000 2.336 66 E HA 0.619 4.971 4.350 0.003 0.000 0.267 66 E C -0.088 176.526 176.600 0.023 0.000 0.906 66 E CA -1.299 55.119 56.400 0.029 0.000 0.781 66 E CB 1.736 31.435 29.700 -0.003 0.000 1.261 66 E HN 0.188 nan 8.360 nan 0.000 0.436 67 L N 2.023 123.251 121.223 0.009 0.000 2.601 67 L HA 0.171 4.513 4.340 0.003 0.000 0.277 67 L C -0.713 176.150 176.870 -0.011 0.000 1.219 67 L CA 0.840 55.670 54.840 -0.016 0.000 0.915 67 L CB -0.136 41.873 42.059 -0.083 0.000 1.160 67 L HN 0.586 nan 8.230 nan 0.000 0.494 68 A N 4.811 127.634 122.820 0.004 0.000 2.350 68 A HA 0.879 5.201 4.320 0.003 0.000 0.318 68 A C -1.186 176.413 177.584 0.024 0.000 1.132 68 A CA -0.596 51.462 52.037 0.036 0.000 0.811 68 A CB 1.732 20.762 19.000 0.050 0.000 1.313 68 A HN 0.547 nan 8.150 nan 0.000 0.454 69 V N 0.009 119.967 119.914 0.074 0.000 2.760 69 V HA 0.555 4.677 4.120 0.003 0.000 0.309 69 V C -0.173 175.977 176.094 0.094 0.000 1.077 69 V CA -0.567 61.759 62.300 0.043 0.000 0.910 69 V CB 1.113 32.944 31.823 0.013 0.000 1.008 69 V HN 1.457 nan 8.190 nan 0.000 0.424 70 C N 2.023 121.343 119.300 0.033 0.000 3.044 70 C HA 1.077 5.539 4.460 0.003 0.000 0.315 70 C C -0.069 174.932 174.990 0.018 0.000 1.320 70 C CA -0.561 58.478 59.018 0.034 0.000 1.582 70 C CB 1.183 28.927 27.740 0.007 0.000 2.039 70 C HN 1.474 nan 8.230 nan 0.000 0.466 71 A N 0.152 122.998 122.820 0.043 0.000 2.572 71 A HA 1.002 5.324 4.320 0.003 0.000 0.295 71 A C -0.486 177.188 177.584 0.150 0.000 1.072 71 A CA 0.259 52.366 52.037 0.118 0.000 0.691 71 A CB 1.358 20.518 19.000 0.266 0.000 1.291 71 A HN 2.431 nan 8.150 nan 0.000 0.404 72 G N 0.178 109.058 108.800 0.134 0.000 2.659 72 G HA2 0.646 4.607 3.960 0.003 0.000 0.296 72 G HA3 0.646 4.607 3.960 0.003 0.000 0.296 72 G C -0.066 174.908 174.900 0.124 0.000 1.369 72 G CA 0.243 45.428 45.100 0.141 0.000 0.937 72 G HN 1.568 nan 8.290 nan 0.000 0.485 73 S N -0.990 114.775 115.700 0.109 0.000 2.633 73 S HA 0.408 4.879 4.470 0.003 0.000 0.257 73 S C 1.186 175.822 174.600 0.060 0.000 1.265 73 S CA -0.013 58.232 58.200 0.076 0.000 0.980 73 S CB 0.137 63.371 63.200 0.056 0.000 1.017 73 S HN 1.568 nan 8.310 nan 0.000 0.577 74 C N -0.135 119.195 119.300 0.050 0.000 2.700 74 C HA 0.722 5.183 4.460 0.003 0.000 0.397 74 C C 1.874 176.863 174.990 -0.002 0.000 1.301 74 C CA -0.011 59.045 59.018 0.064 0.000 2.219 74 C CB -0.976 26.806 27.740 0.070 0.000 2.699 74 C HN 1.806 nan 8.230 nan 0.000 0.669 75 G N 3.333 112.147 108.800 0.024 0.000 2.634 75 G HA2 -0.250 3.712 3.960 0.003 0.000 0.318 75 G HA3 -0.250 3.712 3.960 0.003 0.000 0.318 75 G C -1.132 173.722 174.900 -0.076 0.000 1.207 75 G CA 0.623 45.696 45.100 -0.046 0.000 0.987 75 G HN 0.613 nan 8.290 nan 0.000 0.547 76 P HA -0.016 nan 4.420 nan 0.000 0.218 76 P C 2.016 179.139 177.300 -0.295 0.000 1.148 76 P CA 2.586 65.532 63.100 -0.257 0.000 0.822 76 P CB -0.726 30.792 31.700 -0.303 0.000 0.784 77 G N 1.327 110.037 108.800 -0.150 0.000 2.511 77 G HA2 -0.311 3.650 3.960 0.003 0.000 0.216 77 G HA3 -0.311 3.650 3.960 0.003 0.000 0.216 77 G C 1.391 176.317 174.900 0.044 0.000 1.218 77 G CA 1.380 46.447 45.100 -0.054 0.000 0.788 77 G HN 0.435 nan 8.290 nan 0.000 0.560 78 N N 0.253 119.005 118.700 0.087 0.000 2.309 78 N HA -0.003 4.739 4.740 0.003 0.000 0.182 78 N C 1.962 177.654 175.510 0.303 0.000 1.018 78 N CA 1.156 54.310 53.050 0.173 0.000 0.876 78 N CB -0.431 38.159 38.487 0.172 0.000 0.972 78 N HN 0.274 nan 8.380 nan 0.000 0.434 79 L N 0.773 122.106 121.223 0.184 0.000 2.079 79 L HA -0.123 4.219 4.340 0.003 0.000 0.210 79 L C 1.846 178.870 176.870 0.256 0.000 1.081 79 L CA 1.804 56.738 54.840 0.156 0.000 0.752 79 L CB -1.082 40.982 42.059 0.009 0.000 0.896 79 L HN 0.362 nan 8.230 nan 0.000 0.433 80 H N -1.385 117.769 119.070 0.140 0.000 2.518 80 H HA -0.117 4.441 4.556 0.003 0.000 0.292 80 H C 2.061 177.518 175.328 0.215 0.000 1.068 80 H CA 0.910 57.067 56.048 0.182 0.000 1.275 80 H CB 0.061 29.852 29.762 0.048 0.000 1.375 80 H HN 0.363 nan 8.280 nan 0.000 0.563 81 L N 0.003 121.409 121.223 0.305 0.000 2.291 81 L HA -0.120 4.222 4.340 0.003 0.000 0.214 81 L C 2.389 179.360 176.870 0.167 0.000 1.120 81 L CA 0.379 55.323 54.840 0.173 0.000 0.799 81 L CB -0.129 41.971 42.059 0.068 0.000 0.925 81 L HN 0.336 nan 8.230 nan 0.000 0.446 82 I N 0.678 121.441 120.570 0.321 0.000 2.151 82 I HA -0.380 3.791 4.170 0.003 0.000 0.243 82 I C 2.338 178.602 176.117 0.246 0.000 1.080 82 I CA 1.755 63.281 61.300 0.377 0.000 1.339 82 I CB 0.030 38.213 38.000 0.305 0.000 1.039 82 I HN 0.385 nan 8.210 nan 0.000 0.409 83 N N 0.648 119.429 118.700 0.135 0.000 2.188 83 N HA -0.119 4.623 4.740 0.003 0.000 0.184 83 N C 1.791 177.174 175.510 -0.211 0.000 1.018 83 N CA 1.631 54.723 53.050 0.070 0.000 0.858 83 N CB -0.414 38.128 38.487 0.092 0.000 0.989 83 N HN 0.403 nan 8.380 nan 0.000 0.426 84 G N 0.185 108.717 108.800 -0.446 0.000 2.422 84 G HA2 -0.117 3.845 3.960 0.003 0.000 0.218 84 G HA3 -0.117 3.845 3.960 0.003 0.000 0.218 84 G C 1.488 176.087 174.900 -0.503 0.000 1.140 84 G CA 0.439 44.975 45.100 -0.941 0.000 0.775 84 G HN 0.310 nan 8.290 nan 0.000 0.545 85 L N -0.888 120.179 121.223 -0.259 0.000 2.093 85 L HA 0.073 4.415 4.340 0.003 0.000 0.208 85 L C 2.599 179.320 176.870 -0.248 0.000 1.085 85 L CA 0.505 55.208 54.840 -0.227 0.000 0.755 85 L CB -0.384 41.554 42.059 -0.202 0.000 0.904 85 L HN 0.114 nan 8.230 nan 0.000 0.435 86 F N 0.800 120.547 119.950 -0.338 0.000 2.126 86 F HA -0.288 4.241 4.527 0.003 0.000 0.299 86 F C 2.335 177.842 175.800 -0.490 0.000 1.096 86 F CA 2.061 59.764 58.000 -0.495 0.000 1.255 86 F CB -0.296 38.104 39.000 -0.999 0.000 0.997 86 F HN 0.171 nan 8.300 nan 0.000 0.479 87 D N -0.724 119.501 120.400 -0.291 0.000 2.097 87 D HA -0.186 4.456 4.640 0.003 0.000 0.195 87 D C 2.246 178.495 176.300 -0.085 0.000 0.989 87 D CA 1.618 55.565 54.000 -0.088 0.000 0.827 87 D CB -0.298 40.496 40.800 -0.009 0.000 0.966 87 D HN 0.242 nan 8.370 nan 0.000 0.456 88 C N -0.427 118.789 119.300 -0.140 0.000 2.413 88 C HA -0.125 4.336 4.460 0.003 0.000 0.276 88 C C 2.549 177.499 174.990 -0.066 0.000 1.236 88 C CA 1.167 60.126 59.018 -0.098 0.000 1.735 88 C CB -1.472 26.196 27.740 -0.121 0.000 2.031 88 C HN 0.517 nan 8.230 nan 0.000 0.474 89 H N 0.653 119.610 119.070 -0.188 0.000 2.357 89 H HA -0.012 4.545 4.556 0.003 0.000 0.301 89 H C 2.430 177.691 175.328 -0.111 0.000 1.082 89 H CA 1.449 57.397 56.048 -0.168 0.000 1.342 89 H CB -0.094 29.509 29.762 -0.265 0.000 1.389 89 H HN 0.181 nan 8.280 nan 0.000 0.511 90 R N 0.239 120.677 120.500 -0.104 0.000 2.148 90 R HA -0.021 4.321 4.340 0.003 0.000 0.227 90 R C 1.070 177.120 176.300 -0.417 0.000 1.103 90 R CA 0.790 56.794 56.100 -0.158 0.000 0.983 90 R CB -0.253 30.067 30.300 0.035 0.000 0.874 90 R HN 0.435 nan 8.270 nan 0.000 0.451 91 N N 0.479 118.999 118.700 -0.300 0.000 2.461 91 N HA -0.048 4.694 4.740 0.003 0.000 0.188 91 N C -0.535 174.785 175.510 -0.317 0.000 1.134 91 N CA 0.235 53.102 53.050 -0.306 0.000 0.878 91 N CB -0.198 38.235 38.487 -0.090 0.000 0.972 91 N HN 0.401 nan 8.380 nan 0.000 0.456 92 H N -2.154 116.891 119.070 -0.042 0.000 2.756 92 H HA -0.111 4.447 4.556 0.003 0.000 0.315 92 H C -0.364 174.967 175.328 0.005 0.000 1.210 92 H CA 0.224 56.245 56.048 -0.043 0.000 1.150 92 H CB -2.190 27.566 29.762 -0.010 0.000 1.463 92 H HN 0.042 nan 8.280 nan 0.000 0.427 93 V N -2.117 117.839 119.914 0.069 0.000 2.667 93 V HA 0.629 4.751 4.120 0.003 0.000 0.308 93 V C -2.275 173.857 176.094 0.062 0.000 1.048 93 V CA -2.651 59.689 62.300 0.066 0.000 0.928 93 V CB 2.358 34.201 31.823 0.034 0.000 1.004 93 V HN -0.018 nan 8.190 nan 0.000 0.444 94 P HA 0.312 nan 4.420 nan 0.000 0.274 94 P C -0.754 176.566 177.300 0.034 0.000 1.291 94 P CA 0.103 63.250 63.100 0.078 0.000 0.815 94 P CB 1.071 32.820 31.700 0.081 0.000 0.897 95 V N 5.552 125.476 119.914 0.017 0.000 2.577 95 V HA 0.283 4.405 4.120 0.003 0.000 0.303 95 V C -0.085 175.986 176.094 -0.038 0.000 1.042 95 V CA -0.867 61.418 62.300 -0.025 0.000 0.872 95 V CB 2.317 34.104 31.823 -0.061 0.000 0.998 95 V HN 0.344 nan 8.190 nan 0.000 0.423 96 L N 4.744 125.942 121.223 -0.042 0.000 2.282 96 L HA 0.891 5.232 4.340 0.003 0.000 0.288 96 L C 0.257 177.084 176.870 -0.071 0.000 1.033 96 L CA 0.039 54.849 54.840 -0.050 0.000 0.807 96 L CB 1.231 43.260 42.059 -0.050 0.000 1.209 96 L HN 0.780 nan 8.230 nan 0.000 0.423 97 A N 6.574 129.325 122.820 -0.116 0.000 2.271 97 A HA 0.663 4.985 4.320 0.003 0.000 0.317 97 A C -0.514 177.001 177.584 -0.116 0.000 1.245 97 A CA -0.462 51.483 52.037 -0.154 0.000 0.857 97 A CB 0.162 18.976 19.000 -0.311 0.000 1.175 97 A HN 0.715 nan 8.150 nan 0.000 0.512 98 I N 2.775 123.314 120.570 -0.052 0.000 2.291 98 I HA 0.369 4.541 4.170 0.003 0.000 0.290 98 I C 0.686 176.798 176.117 -0.009 0.000 1.050 98 I CA 0.004 61.299 61.300 -0.009 0.000 1.245 98 I CB 1.501 39.527 38.000 0.045 0.000 1.405 98 I HN 0.677 nan 8.210 nan 0.000 0.478 99 A N 6.239 129.041 122.820 -0.031 0.000 2.341 99 A HA 0.741 5.063 4.320 0.003 0.000 0.326 99 A C 0.490 178.109 177.584 0.058 0.000 1.402 99 A CA -0.496 51.542 52.037 0.002 0.000 0.957 99 A CB 0.195 19.183 19.000 -0.020 0.000 1.151 99 A HN 0.774 nan 8.150 nan 0.000 0.533 100 A N 2.290 125.161 122.820 0.085 0.000 2.483 100 A HA 0.501 4.823 4.320 0.003 0.000 0.238 100 A C 0.126 177.808 177.584 0.164 0.000 1.070 100 A CA 0.283 52.384 52.037 0.107 0.000 0.770 100 A CB -0.006 19.047 19.000 0.088 0.000 1.008 100 A HN 1.020 nan 8.150 nan 0.000 0.497 101 H N 0.147 119.231 119.070 0.023 0.000 2.894 101 H HA 0.590 5.148 4.556 0.003 0.000 0.368 101 H C 0.129 175.462 175.328 0.008 0.000 1.181 101 H CA -0.780 55.273 56.048 0.009 0.000 1.146 101 H CB 0.988 30.750 29.762 0.001 0.000 1.839 101 H HN 0.735 nan 8.280 nan 0.000 0.557 102 I N 0.152 120.529 120.570 -0.320 0.000 3.112 102 I HA 0.320 4.492 4.170 0.003 0.000 0.284 102 I C -2.116 173.835 176.117 -0.277 0.000 1.227 102 I CA -1.931 59.234 61.300 -0.225 0.000 1.369 102 I CB -0.019 37.877 38.000 -0.173 0.000 1.376 102 I HN 0.358 nan 8.210 nan 0.000 0.608 103 P HA 0.008 nan 4.420 nan 0.000 0.265 103 P C 0.516 177.670 177.300 -0.243 0.000 1.193 103 P CA 0.033 63.021 63.100 -0.187 0.000 0.765 103 P CB 0.827 32.415 31.700 -0.187 0.000 0.823 104 S N 1.500 117.100 115.700 -0.168 0.000 2.419 104 S HA -0.173 4.298 4.470 0.003 0.000 0.233 104 S C 1.737 176.251 174.600 -0.144 0.000 1.016 104 S CA 1.452 59.566 58.200 -0.144 0.000 0.974 104 S CB -1.331 61.828 63.200 -0.068 0.000 0.786 104 S HN 0.518 nan 8.310 nan 0.000 0.492 105 S N 1.494 117.103 115.700 -0.153 0.000 2.474 105 S HA 0.008 4.480 4.470 0.003 0.000 0.235 105 S C 1.385 175.874 174.600 -0.185 0.000 0.997 105 S CA 0.670 58.785 58.200 -0.141 0.000 0.949 105 S CB -0.319 62.804 63.200 -0.128 0.000 0.766 105 S HN 0.496 nan 8.310 nan 0.000 0.517 106 E N 0.788 120.811 120.200 -0.295 0.000 2.472 106 E HA 0.357 4.709 4.350 0.003 0.000 0.196 106 E C 0.358 176.841 176.600 -0.196 0.000 1.033 106 E CA -0.277 55.903 56.400 -0.366 0.000 0.886 106 E CB -0.160 28.974 29.700 -0.944 0.000 0.944 106 E HN 0.605 nan 8.360 nan 0.000 0.492 107 I N 1.062 121.530 120.570 -0.170 0.000 2.775 107 I HA -0.023 4.149 4.170 0.003 0.000 0.290 107 I C 1.428 177.535 176.117 -0.016 0.000 1.203 107 I CA 1.259 62.496 61.300 -0.105 0.000 1.433 107 I CB 0.349 38.292 38.000 -0.094 0.000 1.354 107 I HN 0.286 nan 8.210 nan 0.000 0.579 108 G N 3.870 112.695 108.800 0.041 0.000 2.157 108 G HA2 -0.286 3.676 3.960 0.003 0.000 0.239 108 G HA3 -0.286 3.676 3.960 0.003 0.000 0.239 108 G C 0.666 175.613 174.900 0.078 0.000 0.982 108 G CA 0.436 45.591 45.100 0.092 0.000 0.650 108 G HN 0.769 nan 8.290 nan 0.000 0.527 109 S N -0.699 115.046 115.700 0.076 0.000 2.559 109 S HA 0.490 4.962 4.470 0.003 0.000 0.226 109 S C 1.677 176.345 174.600 0.114 0.000 1.000 109 S CA 1.040 59.290 58.200 0.084 0.000 0.948 109 S CB 0.766 64.011 63.200 0.074 0.000 0.870 109 S HN 2.273 nan 8.310 nan 0.000 0.497 110 G N 1.254 110.131 108.800 0.128 0.000 2.289 110 G HA2 -0.283 3.678 3.960 0.003 0.000 0.280 110 G HA3 -0.283 3.678 3.960 0.003 0.000 0.280 110 G C -0.326 174.670 174.900 0.161 0.000 1.089 110 G CA 0.043 45.217 45.100 0.124 0.000 0.939 110 G HN 0.625 nan 8.290 nan 0.000 0.499 111 Y N -0.240 120.081 120.300 0.036 0.000 2.299 111 Y HA 0.599 5.151 4.550 0.003 0.000 0.335 111 Y C 0.850 176.811 175.900 0.102 0.000 1.287 111 Y CA -1.636 56.500 58.100 0.060 0.000 1.424 111 Y CB 0.338 38.813 38.460 0.024 0.000 1.326 111 Y HN 0.416 nan 8.280 nan 0.000 0.567 112 F N 4.536 123.992 119.950 -0.824 0.000 2.604 112 F HA -0.048 4.480 4.527 0.003 0.000 0.393 112 F C 0.866 176.519 175.800 -0.246 0.000 1.043 112 F CA 0.871 58.529 58.000 -0.570 0.000 1.227 112 F CB -0.049 38.482 39.000 -0.782 0.000 1.016 112 F HN 0.783 nan 8.300 nan 0.000 0.556 113 Q N 0.828 120.267 119.800 -0.602 0.000 2.362 113 Q HA -0.336 4.006 4.340 0.003 0.000 0.220 113 Q C 0.244 176.149 176.000 -0.159 0.000 0.713 113 Q CA 1.335 56.850 55.803 -0.481 0.000 1.345 113 Q CB -1.537 26.811 28.738 -0.651 0.000 1.570 113 Q HN 0.857 nan 8.270 nan 0.000 0.701 114 E N 1.561 121.735 120.200 -0.043 0.000 2.480 114 E HA 0.130 4.482 4.350 0.003 0.000 0.258 114 E C 0.211 176.834 176.600 0.040 0.000 0.984 114 E CA 1.120 57.540 56.400 0.033 0.000 0.930 114 E CB 0.569 30.317 29.700 0.079 0.000 0.936 114 E HN 0.277 nan 8.360 nan 0.000 0.466 115 T N 1.510 116.104 114.554 0.066 0.000 2.778 115 T HA 0.371 4.722 4.350 0.003 0.000 0.293 115 T C -0.867 173.842 174.700 0.016 0.000 1.144 115 T CA -0.941 61.210 62.100 0.085 0.000 1.010 115 T CB 1.008 69.894 68.868 0.030 0.000 1.325 115 T HN 0.485 nan 8.240 nan 0.000 0.515 116 H N 0.859 119.921 119.070 -0.012 0.000 2.418 116 H HA 0.403 4.961 4.556 0.003 0.000 0.238 116 H C -2.168 173.077 175.328 -0.138 0.000 1.403 116 H CA -1.840 54.171 56.048 -0.063 0.000 1.419 116 H CB 1.107 30.852 29.762 -0.028 0.000 1.463 116 H HN 0.399 nan 8.280 nan 0.000 0.515 117 P HA -0.221 nan 4.420 nan 0.000 0.218 117 P C 1.677 179.014 177.300 0.062 0.000 1.148 117 P CA 0.989 64.072 63.100 -0.027 0.000 0.822 117 P CB 0.436 32.181 31.700 0.075 0.000 0.784 118 Q N 0.232 120.022 119.800 -0.017 0.000 2.364 118 Q HA -0.152 4.190 4.340 0.003 0.000 0.207 118 Q C 1.301 177.299 176.000 -0.003 0.000 0.970 118 Q CA 1.603 57.406 55.803 -0.000 0.000 0.888 118 Q CB -0.780 27.937 28.738 -0.034 0.000 0.951 118 Q HN 0.367 nan 8.270 nan 0.000 0.469 119 E N 0.593 120.789 120.200 -0.005 0.000 2.162 119 E HA 0.118 4.470 4.350 0.003 0.000 0.193 119 E C 2.238 178.789 176.600 -0.081 0.000 0.953 119 E CA 0.228 56.608 56.400 -0.034 0.000 0.849 119 E CB 0.058 29.738 29.700 -0.034 0.000 0.810 119 E HN 0.170 nan 8.360 nan 0.000 0.470 120 L N 0.151 121.274 121.223 -0.166 0.000 2.079 120 L HA -0.166 4.175 4.340 0.003 0.000 0.210 120 L C 1.584 178.252 176.870 -0.337 0.000 1.081 120 L CA 1.148 55.795 54.840 -0.322 0.000 0.752 120 L CB -0.197 41.509 42.059 -0.589 0.000 0.896 120 L HN 0.125 nan 8.230 nan 0.000 0.433 121 F N -0.848 119.055 119.950 -0.078 0.000 2.732 121 F HA 0.104 4.632 4.527 0.003 0.000 0.303 121 F C 2.192 177.868 175.800 -0.206 0.000 1.110 121 F CA -0.084 57.827 58.000 -0.149 0.000 1.355 121 F CB -0.432 38.473 39.000 -0.158 0.000 1.081 121 F HN -0.121 nan 8.300 nan 0.000 0.565 122 R N 0.457 120.942 120.500 -0.025 0.000 2.083 122 R HA -0.215 4.127 4.340 0.003 0.000 0.237 122 R C 2.085 178.309 176.300 -0.125 0.000 1.137 122 R CA 1.827 57.885 56.100 -0.069 0.000 0.951 122 R CB -0.404 29.868 30.300 -0.046 0.000 0.851 122 R HN 0.363 nan 8.270 nan 0.000 0.434 123 E N 0.610 120.743 120.200 -0.112 0.000 2.150 123 E HA -0.151 4.201 4.350 0.003 0.000 0.193 123 E C 0.780 177.137 176.600 -0.405 0.000 0.985 123 E CA 1.198 57.528 56.400 -0.118 0.000 0.814 123 E CB 0.152 29.909 29.700 0.096 0.000 0.752 123 E HN 0.530 nan 8.360 nan 0.000 0.466 124 C N 0.928 119.795 119.300 -0.722 0.000 2.336 124 C HA 0.582 5.044 4.460 0.003 0.000 0.332 124 C C 0.246 174.621 174.990 -1.026 0.000 1.375 124 C CA -0.482 57.887 59.018 -1.082 0.000 1.785 124 C CB -1.739 25.040 27.740 -1.602 0.000 2.407 124 C HN 0.193 nan 8.230 nan 0.000 0.562 125 S N -1.272 113.791 115.700 -1.062 0.000 2.588 125 S HA 0.468 4.940 4.470 0.003 0.000 0.269 125 S C -0.092 174.165 174.600 -0.572 0.000 1.157 125 S CA -0.380 57.238 58.200 -0.971 0.000 0.824 125 S CB 0.347 63.278 63.200 -0.448 0.000 1.126 125 S HN 0.714 nan 8.310 nan 0.000 0.464 126 H N -0.358 118.664 119.070 -0.080 0.000 2.652 126 H HA 0.384 4.942 4.556 0.003 0.000 0.274 126 H C -0.699 174.717 175.328 0.146 0.000 1.021 126 H CA -0.294 55.812 56.048 0.096 0.000 1.187 126 H CB 0.355 30.242 29.762 0.207 0.000 1.505 126 H HN 0.620 nan 8.280 nan 0.000 0.530 127 Y N 0.641 121.073 120.300 0.219 0.000 2.436 127 Y HA 0.411 4.962 4.550 0.003 0.000 0.327 127 Y C -1.968 173.956 175.900 0.040 0.000 1.138 127 Y CA -1.492 56.696 58.100 0.147 0.000 1.042 127 Y CB 1.963 40.544 38.460 0.202 0.000 1.302 127 Y HN 0.271 nan 8.280 nan 0.000 0.439 128 C N 7.046 126.020 119.300 -0.542 0.000 2.928 128 C HA 0.661 5.123 4.460 0.003 0.000 0.396 128 C C -1.990 172.764 174.990 -0.393 0.000 1.052 128 C CA -0.110 58.720 59.018 -0.313 0.000 1.251 128 C CB 0.164 27.821 27.740 -0.138 0.000 1.684 128 C HN 0.869 nan 8.230 nan 0.000 0.501 129 E N 3.207 123.231 120.200 -0.294 0.000 2.390 129 E HA 0.417 4.769 4.350 0.003 0.000 0.277 129 E C -1.485 175.084 176.600 -0.050 0.000 0.939 129 E CA -0.723 55.563 56.400 -0.190 0.000 0.769 129 E CB 2.301 31.872 29.700 -0.214 0.000 1.251 129 E HN 0.618 nan 8.360 nan 0.000 0.450 130 L N 1.507 122.715 121.223 -0.024 0.000 2.292 130 L HA 0.265 4.607 4.340 0.003 0.000 0.284 130 L C -0.834 176.061 176.870 0.042 0.000 1.065 130 L CA -0.478 54.370 54.840 0.013 0.000 0.806 130 L CB 1.210 43.282 42.059 0.022 0.000 1.175 130 L HN 0.283 nan 8.230 nan 0.000 0.431 131 V N 5.960 125.910 119.914 0.060 0.000 2.322 131 V HA 0.191 4.313 4.120 0.003 0.000 0.258 131 V C 1.068 177.195 176.094 0.056 0.000 1.074 131 V CA 0.173 62.511 62.300 0.062 0.000 0.909 131 V CB 0.081 31.945 31.823 0.070 0.000 1.090 131 V HN 1.029 nan 8.190 nan 0.000 0.486 132 S N 2.258 117.985 115.700 0.046 0.000 2.425 132 S HA 0.015 4.486 4.470 0.003 0.000 0.225 132 S C 0.970 175.583 174.600 0.022 0.000 1.024 132 S CA 0.589 58.811 58.200 0.036 0.000 0.951 132 S CB 0.248 63.466 63.200 0.030 0.000 0.796 132 S HN 0.688 nan 8.310 nan 0.000 0.498 133 S N 0.570 116.283 115.700 0.021 0.000 2.521 133 S HA 0.453 4.925 4.470 0.003 0.000 0.295 133 S C -2.507 172.095 174.600 0.004 0.000 1.098 133 S CA -1.803 56.403 58.200 0.009 0.000 0.999 133 S CB 1.558 64.763 63.200 0.007 0.000 1.034 133 S HN -0.170 nan 8.310 nan 0.000 0.483 134 P HA -0.098 nan 4.420 nan 0.000 0.217 134 P C 0.996 178.269 177.300 -0.045 0.000 1.148 134 P CA 1.010 64.096 63.100 -0.024 0.000 0.828 134 P CB 0.151 31.834 31.700 -0.029 0.000 0.783 135 E N -0.324 119.857 120.200 -0.033 0.000 2.333 135 E HA -0.177 4.175 4.350 0.003 0.000 0.198 135 E C 1.912 178.497 176.600 -0.026 0.000 1.007 135 E CA 0.925 57.302 56.400 -0.038 0.000 0.845 135 E CB -0.390 29.297 29.700 -0.021 0.000 0.766 135 E HN 0.516 nan 8.360 nan 0.000 0.507 136 Q N -0.005 119.792 119.800 -0.004 0.000 2.172 136 Q HA -0.080 4.262 4.340 0.003 0.000 0.200 136 Q C 2.154 178.170 176.000 0.027 0.000 0.964 136 Q CA 0.425 56.242 55.803 0.023 0.000 0.855 136 Q CB -0.099 28.666 28.738 0.045 0.000 0.918 136 Q HN 0.153 nan 8.270 nan 0.000 0.444 137 I N 1.320 121.888 120.570 -0.004 0.000 2.264 137 I HA -0.170 4.002 4.170 0.003 0.000 0.248 137 I C -1.197 174.961 176.117 0.068 0.000 1.111 137 I CA 1.167 62.487 61.300 0.034 0.000 1.382 137 I CB -0.594 37.420 38.000 0.023 0.000 1.060 137 I HN 0.075 nan 8.210 nan 0.000 0.418 138 P HA -0.141 nan 4.420 nan 0.000 0.216 138 P C 1.489 178.867 177.300 0.129 0.000 1.153 138 P CA 1.413 64.565 63.100 0.087 0.000 0.844 138 P CB 0.003 31.694 31.700 -0.014 0.000 0.787 139 Q N -0.738 119.110 119.800 0.079 0.000 2.049 139 Q HA -0.070 4.272 4.340 0.003 0.000 0.198 139 Q C 2.206 178.253 176.000 0.078 0.000 0.971 139 Q CA 1.162 57.010 55.803 0.075 0.000 0.833 139 Q CB -1.538 27.238 28.738 0.063 0.000 0.896 139 Q HN 0.034 nan 8.270 nan 0.000 0.434 140 V N 0.565 120.547 119.914 0.114 0.000 2.295 140 V HA -0.231 3.891 4.120 0.003 0.000 0.246 140 V C 2.059 178.199 176.094 0.076 0.000 1.049 140 V CA 1.567 63.967 62.300 0.166 0.000 1.024 140 V CB -0.540 31.415 31.823 0.220 0.000 0.648 140 V HN 0.298 nan 8.190 nan 0.000 0.447 141 L N 0.564 121.855 121.223 0.114 0.000 2.056 141 L HA -0.049 4.293 4.340 0.003 0.000 0.207 141 L C 2.440 179.345 176.870 0.058 0.000 1.078 141 L CA 2.273 57.168 54.840 0.092 0.000 0.749 141 L CB -0.925 41.234 42.059 0.167 0.000 0.901 141 L HN 0.230 nan 8.230 nan 0.000 0.433 142 A N -0.271 122.622 122.820 0.122 0.000 1.877 142 A HA -0.191 4.130 4.320 0.003 0.000 0.216 142 A C 2.252 179.881 177.584 0.076 0.000 1.186 142 A CA 2.192 54.346 52.037 0.195 0.000 0.620 142 A CB -0.857 18.251 19.000 0.180 0.000 0.822 142 A HN 0.491 nan 8.150 nan 0.000 0.443 143 I N -0.309 120.197 120.570 -0.107 0.000 2.202 143 I HA -0.238 3.933 4.170 0.003 0.000 0.242 143 I C 2.999 178.841 176.117 -0.459 0.000 1.091 143 I CA 0.950 62.069 61.300 -0.301 0.000 1.368 143 I CB -0.438 37.283 38.000 -0.466 0.000 1.058 143 I HN 0.344 nan 8.210 nan 0.000 0.410 144 A N 0.872 123.337 122.820 -0.592 0.000 1.873 144 A HA -0.279 4.043 4.320 0.003 0.000 0.218 144 A C 2.364 179.895 177.584 -0.089 0.000 1.193 144 A CA 2.151 53.990 52.037 -0.329 0.000 0.629 144 A CB -0.701 18.253 19.000 -0.075 0.000 0.826 144 A HN 0.368 nan 8.150 nan 0.000 0.447 145 M N -2.206 117.348 119.600 -0.076 0.000 2.156 145 M HA -0.082 4.399 4.480 0.003 0.000 0.264 145 M C 2.409 178.753 176.300 0.074 0.000 1.067 145 M CA 1.745 56.984 55.300 -0.102 0.000 1.131 145 M CB -0.190 32.154 32.600 -0.427 0.000 1.368 145 M HN 0.372 nan 8.290 nan 0.000 0.416 146 R N 0.642 121.271 120.500 0.214 0.000 2.081 146 R HA -0.096 4.246 4.340 0.003 0.000 0.235 146 R C 1.991 178.312 176.300 0.036 0.000 1.131 146 R CA 1.612 57.845 56.100 0.221 0.000 0.960 146 R CB -0.020 30.364 30.300 0.140 0.000 0.856 146 R HN 0.209 nan 8.270 nan 0.000 0.436 147 K N -0.640 119.706 120.400 -0.089 0.000 2.057 147 K HA -0.051 4.271 4.320 0.003 0.000 0.206 147 K C 2.043 178.502 176.600 -0.235 0.000 1.050 147 K CA 1.274 57.380 56.287 -0.302 0.000 0.935 147 K CB -0.151 32.045 32.500 -0.506 0.000 0.715 147 K HN 0.217 nan 8.250 nan 0.000 0.439 148 A N 0.858 123.751 122.820 0.122 0.000 1.883 148 A HA -0.165 4.157 4.320 0.003 0.000 0.217 148 A C 2.340 180.037 177.584 0.188 0.000 1.186 148 A CA 1.745 53.975 52.037 0.320 0.000 0.624 148 A CB -0.707 18.409 19.000 0.195 0.000 0.822 148 A HN 0.089 nan 8.150 nan 0.000 0.444 149 V N -0.480 119.506 119.914 0.121 0.000 2.302 149 V HA -0.154 3.968 4.120 0.003 0.000 0.243 149 V C 2.520 178.672 176.094 0.097 0.000 1.036 149 V CA 1.836 64.211 62.300 0.124 0.000 1.020 149 V CB -0.604 31.325 31.823 0.178 0.000 0.657 149 V HN 0.536 nan 8.190 nan 0.000 0.453 150 L N -0.244 121.015 121.223 0.060 0.000 2.162 150 L HA -0.009 4.332 4.340 0.003 0.000 0.205 150 L C 1.947 178.819 176.870 0.004 0.000 1.086 150 L CA 1.404 56.256 54.840 0.021 0.000 0.778 150 L CB -0.459 41.597 42.059 -0.005 0.000 0.928 150 L HN 0.383 nan 8.230 nan 0.000 0.446 151 N N 0.021 118.707 118.700 -0.024 0.000 2.467 151 N HA 0.043 4.785 4.740 0.003 0.000 0.184 151 N C -0.526 175.043 175.510 0.097 0.000 1.106 151 N CA -0.156 52.889 53.050 -0.008 0.000 0.892 151 N CB 0.264 38.681 38.487 -0.117 0.000 0.969 151 N HN 0.077 nan 8.380 nan 0.000 0.454 152 R N -0.060 120.523 120.500 0.138 0.000 2.983 152 R HA -0.127 4.215 4.340 0.003 0.000 0.272 152 R C -0.237 176.181 176.300 0.196 0.000 0.926 152 R CA 0.362 56.553 56.100 0.153 0.000 0.667 152 R CB -2.090 28.267 30.300 0.096 0.000 1.540 152 R HN 0.458 nan 8.270 nan 0.000 0.467 153 G N -0.966 107.996 108.800 0.270 0.000 2.428 153 G HA2 0.419 4.380 3.960 0.003 0.000 0.305 153 G HA3 0.419 4.380 3.960 0.003 0.000 0.305 153 G C -1.131 173.792 174.900 0.038 0.000 1.260 153 G CA -0.500 44.692 45.100 0.154 0.000 0.853 153 G HN 0.126 nan 8.290 nan 0.000 0.480 154 V N 0.829 120.691 119.914 -0.087 0.000 2.509 154 V HA 0.656 4.778 4.120 0.003 0.000 0.284 154 V C 0.144 175.955 176.094 -0.471 0.000 1.047 154 V CA -0.275 61.876 62.300 -0.249 0.000 0.952 154 V CB 1.318 32.980 31.823 -0.268 0.000 0.988 154 V HN 0.697 nan 8.190 nan 0.000 0.469 155 S N 3.038 118.658 115.700 -0.132 0.000 2.513 155 S HA 0.731 5.203 4.470 0.003 0.000 0.299 155 S C -0.675 173.913 174.600 -0.021 0.000 1.087 155 S CA -0.553 57.679 58.200 0.053 0.000 1.012 155 S CB 1.987 65.338 63.200 0.252 0.000 1.044 155 S HN 0.440 nan 8.310 nan 0.000 0.485 156 V N 2.941 122.855 119.914 0.000 0.000 2.540 156 V HA 0.528 4.650 4.120 0.003 0.000 0.302 156 V C -0.670 175.434 176.094 0.017 0.000 1.035 156 V CA -0.656 61.587 62.300 -0.096 0.000 0.873 156 V CB 1.803 33.483 31.823 -0.238 0.000 0.992 156 V HN 0.666 nan 8.190 nan 0.000 0.428 157 V N 5.489 125.409 119.914 0.010 0.000 2.409 157 V HA 0.438 4.560 4.120 0.003 0.000 0.291 157 V C -0.213 175.891 176.094 0.017 0.000 1.020 157 V CA -0.574 61.761 62.300 0.058 0.000 0.848 157 V CB 1.952 33.827 31.823 0.087 0.000 0.990 157 V HN 0.625 nan 8.190 nan 0.000 0.430 158 V N 6.565 126.488 119.914 0.016 0.000 2.370 158 V HA 0.478 4.600 4.120 0.003 0.000 0.279 158 V C -0.379 175.745 176.094 0.050 0.000 1.029 158 V CA -0.487 61.815 62.300 0.002 0.000 0.870 158 V CB 1.475 33.259 31.823 -0.064 0.000 0.984 158 V HN 0.626 nan 8.190 nan 0.000 0.451 159 L N 8.983 130.257 121.223 0.084 0.000 2.427 159 L HA 0.639 4.981 4.340 0.003 0.000 0.264 159 L C -2.648 174.296 176.870 0.124 0.000 0.989 159 L CA -1.807 53.091 54.840 0.096 0.000 0.865 159 L CB 1.941 44.046 42.059 0.077 0.000 1.209 159 L HN 0.370 nan 8.230 nan 0.000 0.430 160 P HA 0.164 nan 4.420 nan 0.000 0.266 160 P C 0.835 178.158 177.300 0.038 0.000 1.195 160 P CA 0.159 63.304 63.100 0.075 0.000 0.768 160 P CB 0.872 32.582 31.700 0.016 0.000 0.838 161 G N 3.088 111.901 108.800 0.021 0.000 2.450 161 G HA2 -0.263 3.698 3.960 0.003 0.000 0.220 161 G HA3 -0.263 3.698 3.960 0.003 0.000 0.220 161 G C 1.044 175.947 174.900 0.004 0.000 1.130 161 G CA 0.770 45.881 45.100 0.017 0.000 0.760 161 G HN 0.577 nan 8.290 nan 0.000 0.557 162 D N 0.781 121.174 120.400 -0.011 0.000 2.123 162 D HA -0.093 4.549 4.640 0.003 0.000 0.200 162 D C 2.494 178.791 176.300 -0.005 0.000 0.976 162 D CA 1.003 54.994 54.000 -0.015 0.000 0.831 162 D CB -0.874 39.906 40.800 -0.033 0.000 0.974 162 D HN 0.245 nan 8.370 nan 0.000 0.469 163 V N 1.705 121.619 119.914 0.001 0.000 2.407 163 V HA -0.190 3.932 4.120 0.003 0.000 0.248 163 V C 2.933 179.038 176.094 0.019 0.000 1.055 163 V CA 1.694 64.000 62.300 0.010 0.000 1.049 163 V CB -1.004 30.832 31.823 0.021 0.000 0.662 163 V HN 0.366 nan 8.190 nan 0.000 0.455 164 A N -0.327 122.509 122.820 0.026 0.000 1.978 164 A HA -0.158 4.164 4.320 0.003 0.000 0.220 164 A C 2.097 179.696 177.584 0.024 0.000 1.170 164 A CA 1.741 53.797 52.037 0.032 0.000 0.636 164 A CB -0.472 18.547 19.000 0.032 0.000 0.810 164 A HN 0.551 nan 8.150 nan 0.000 0.448 165 L N -1.249 119.982 121.223 0.013 0.000 2.592 165 L HA 0.089 4.431 4.340 0.003 0.000 0.227 165 L C 0.651 177.526 176.870 0.007 0.000 1.127 165 L CA 0.004 54.849 54.840 0.008 0.000 0.884 165 L CB -0.059 42.001 42.059 0.001 0.000 1.065 165 L HN 0.204 nan 8.230 nan 0.000 0.457 166 K N 0.562 120.966 120.400 0.007 0.000 2.107 166 K HA 0.260 4.582 4.320 0.003 0.000 0.251 166 K C -2.302 174.301 176.600 0.005 0.000 1.012 166 K CA -1.855 54.434 56.287 0.003 0.000 0.920 166 K CB 0.355 32.854 32.500 -0.002 0.000 1.033 166 K HN -0.253 nan 8.250 nan 0.000 0.478 167 P HA -0.005 nan 4.420 nan 0.000 0.271 167 P C -1.048 176.243 177.300 -0.015 0.000 1.220 167 P CA -0.009 63.090 63.100 -0.000 0.000 0.768 167 P CB 0.786 32.484 31.700 -0.003 0.000 0.848 168 A N 6.180 128.991 122.820 -0.016 0.000 2.448 168 A HA 0.341 4.663 4.320 0.003 0.000 0.239 168 A C -1.996 175.531 177.584 -0.095 0.000 1.080 168 A CA -0.990 50.999 52.037 -0.081 0.000 0.779 168 A CB -1.372 17.584 19.000 -0.075 0.000 1.026 168 A HN 0.415 nan 8.150 nan 0.000 0.499 169 P HA 0.084 nan 4.420 nan 0.000 0.265 169 P C 0.309 177.564 177.300 -0.075 0.000 1.193 169 P CA 0.138 63.174 63.100 -0.106 0.000 0.765 169 P CB 0.446 32.065 31.700 -0.135 0.000 0.823 170 E N 2.098 122.279 120.200 -0.033 0.000 2.150 170 E HA -0.101 4.251 4.350 0.003 0.000 0.193 170 E C 1.911 178.517 176.600 0.009 0.000 0.985 170 E CA 1.206 57.603 56.400 -0.005 0.000 0.814 170 E CB -0.301 29.400 29.700 0.002 0.000 0.752 170 E HN 0.636 nan 8.360 nan 0.000 0.466 171 G N 0.926 109.726 108.800 0.000 0.000 2.985 171 G HA2 0.193 4.155 3.960 0.003 0.000 0.209 171 G HA3 0.193 4.155 3.960 0.003 0.000 0.209 171 G C 0.526 175.448 174.900 0.036 0.000 1.165 171 G CA 0.242 45.353 45.100 0.018 0.000 0.776 171 G HN 0.232 nan 8.290 nan 0.000 0.541 172 A N 0.686 123.517 122.820 0.017 0.000 2.483 172 A HA 0.516 4.838 4.320 0.003 0.000 0.238 172 A C 0.844 178.559 177.584 0.218 0.000 1.070 172 A CA 0.695 52.765 52.037 0.056 0.000 0.770 172 A CB 0.119 19.009 19.000 -0.184 0.000 1.008 172 A HN 0.541 nan 8.150 nan 0.000 0.497 173 T N 0.205 114.923 114.554 0.274 0.000 2.895 173 T HA 0.578 4.930 4.350 0.003 0.000 0.283 173 T C 0.459 175.343 174.700 0.306 0.000 1.014 173 T CA -0.554 61.703 62.100 0.262 0.000 1.037 173 T CB 0.925 69.900 68.868 0.179 0.000 1.006 173 T HN 0.467 nan 8.240 nan 0.000 0.468 174 M N 1.091 120.806 119.600 0.190 0.000 2.367 174 M HA 0.225 4.706 4.480 0.003 0.000 0.256 174 M C 0.932 177.300 176.300 0.113 0.000 1.091 174 M CA -0.295 55.019 55.300 0.023 0.000 1.049 174 M CB 0.053 32.610 32.600 -0.071 0.000 1.406 174 M HN 0.685 nan 8.290 nan 0.000 0.498 175 H N 1.059 120.191 119.070 0.103 0.000 2.848 175 H HA -0.051 4.507 4.556 0.003 0.000 0.341 175 H C -1.355 174.108 175.328 0.225 0.000 1.060 175 H CA 0.623 56.752 56.048 0.135 0.000 1.444 175 H CB 0.652 30.476 29.762 0.103 0.000 1.446 175 H HN 0.386 nan 8.280 nan 0.000 0.583 176 W N 7.602 128.636 121.300 -0.444 0.000 2.417 176 W HA 0.154 4.816 4.660 0.003 0.000 0.315 176 W C -1.698 174.683 176.519 -0.230 0.000 1.045 176 W CA -1.028 56.182 57.345 -0.224 0.000 1.221 176 W CB 0.738 30.091 29.460 -0.179 0.000 1.309 176 W HN 0.585 nan 8.180 nan 0.000 0.453 177 Y N 5.865 125.763 120.300 -0.671 0.000 2.365 177 Y HA 0.118 4.670 4.550 0.003 0.000 0.340 177 Y C -0.095 175.409 175.900 -0.660 0.000 1.016 177 Y CA -0.049 57.770 58.100 -0.469 0.000 1.196 177 Y CB 0.286 38.562 38.460 -0.305 0.000 1.167 177 Y HN 0.458 nan 8.280 nan 0.000 0.509 178 H N 5.395 123.944 119.070 -0.868 0.000 2.864 178 H HA 0.530 5.088 4.556 0.003 0.000 0.281 178 H C -0.907 174.213 175.328 -0.347 0.000 1.093 178 H CA -0.224 55.582 56.048 -0.403 0.000 1.453 178 H CB 0.307 29.971 29.762 -0.164 0.000 1.462 178 H HN 0.768 nan 8.280 nan 0.000 0.480 179 A N 7.125 129.640 122.820 -0.509 0.000 2.260 179 A HA 0.421 4.743 4.320 0.003 0.000 0.308 179 A C -2.406 174.854 177.584 -0.540 0.000 1.254 179 A CA -1.613 50.248 52.037 -0.293 0.000 0.874 179 A CB 0.074 19.014 19.000 -0.100 0.000 1.153 179 A HN 0.678 nan 8.150 nan 0.000 0.527 180 P HA 0.152 nan 4.420 nan 0.000 0.274 180 P C -0.378 176.880 177.300 -0.070 0.000 1.256 180 P CA -0.464 62.550 63.100 -0.143 0.000 0.795 180 P CB 0.385 32.099 31.700 0.025 0.000 1.038 181 Q N 1.051 120.842 119.800 -0.014 0.000 2.369 181 Q HA 0.087 4.428 4.340 0.003 0.000 0.295 181 Q C -1.646 174.348 176.000 -0.011 0.000 1.075 181 Q CA -0.479 55.319 55.803 -0.009 0.000 0.941 181 Q CB -0.819 27.923 28.738 0.006 0.000 1.260 181 Q HN 0.438 nan 8.270 nan 0.000 0.417 182 P HA 0.178 nan 4.420 nan 0.000 0.277 182 P C -0.639 176.655 177.300 -0.010 0.000 1.271 182 P CA -0.483 62.609 63.100 -0.014 0.000 0.795 182 P CB 0.603 32.291 31.700 -0.020 0.000 1.101 183 V N 0.824 120.732 119.914 -0.010 0.000 2.488 183 V HA 0.146 4.267 4.120 0.003 0.000 0.277 183 V C 0.348 176.432 176.094 -0.017 0.000 1.046 183 V CA -0.181 62.112 62.300 -0.011 0.000 0.986 183 V CB 0.970 32.787 31.823 -0.010 0.000 0.989 183 V HN 0.219 nan 8.190 nan 0.000 0.475 184 V N 4.535 124.438 119.914 -0.020 0.000 2.376 184 V HA 0.572 4.694 4.120 0.003 0.000 0.287 184 V C -0.032 176.046 176.094 -0.027 0.000 1.015 184 V CA -0.241 62.045 62.300 -0.023 0.000 0.834 184 V CB 1.720 33.528 31.823 -0.024 0.000 1.001 184 V HN 0.964 nan 8.190 nan 0.000 0.428 185 T N 5.812 120.350 114.554 -0.027 0.000 2.916 185 T HA 0.554 4.905 4.350 0.003 0.000 0.298 185 T C -2.744 171.938 174.700 -0.029 0.000 1.031 185 T CA -1.167 60.914 62.100 -0.032 0.000 0.993 185 T CB 2.293 71.143 68.868 -0.030 0.000 1.045 185 T HN 0.385 nan 8.240 nan 0.000 0.454 186 P HA 0.200 nan 4.420 nan 0.000 0.269 186 P C 0.106 177.391 177.300 -0.024 0.000 1.215 186 P CA -0.511 62.573 63.100 -0.028 0.000 0.780 186 P CB 0.468 32.149 31.700 -0.031 0.000 0.898 187 E N 1.294 121.483 120.200 -0.019 0.000 2.467 187 E HA -0.136 4.216 4.350 0.003 0.000 0.264 187 E C 1.178 177.768 176.600 -0.016 0.000 1.020 187 E CA 0.420 56.810 56.400 -0.016 0.000 0.945 187 E CB 0.376 30.068 29.700 -0.013 0.000 0.942 187 E HN 0.546 nan 8.360 nan 0.000 0.449 188 E N 2.271 122.463 120.200 -0.014 0.000 2.097 188 E HA -0.258 4.094 4.350 0.003 0.000 0.196 188 E C 1.447 178.041 176.600 -0.009 0.000 1.000 188 E CA 1.056 57.449 56.400 -0.012 0.000 0.804 188 E CB 0.218 29.912 29.700 -0.010 0.000 0.740 188 E HN 0.380 nan 8.360 nan 0.000 0.454 189 E N 0.530 120.726 120.200 -0.007 0.000 2.070 189 E HA -0.221 4.130 4.350 0.003 0.000 0.197 189 E C 1.958 178.556 176.600 -0.003 0.000 1.004 189 E CA 1.143 57.541 56.400 -0.004 0.000 0.805 189 E CB -0.037 29.661 29.700 -0.003 0.000 0.744 189 E HN 0.301 nan 8.360 nan 0.000 0.451 190 E N 0.437 120.633 120.200 -0.007 0.000 2.110 190 E HA -0.149 4.203 4.350 0.003 0.000 0.193 190 E C 2.437 179.032 176.600 -0.008 0.000 0.988 190 E CA 0.517 56.913 56.400 -0.007 0.000 0.804 190 E CB -0.351 29.342 29.700 -0.012 0.000 0.745 190 E HN 0.342 nan 8.360 nan 0.000 0.458 191 L N 0.137 121.352 121.223 -0.014 0.000 2.046 191 L HA -0.159 4.183 4.340 0.003 0.000 0.208 191 L C 2.700 179.567 176.870 -0.005 0.000 1.077 191 L CA 1.136 55.966 54.840 -0.018 0.000 0.747 191 L CB -0.361 41.683 42.059 -0.026 0.000 0.896 191 L HN 0.028 nan 8.230 nan 0.000 0.432 192 R N 0.116 120.616 120.500 -0.001 0.000 2.081 192 R HA -0.147 4.195 4.340 0.003 0.000 0.235 192 R C 2.393 178.703 176.300 0.017 0.000 1.131 192 R CA 1.347 57.451 56.100 0.008 0.000 0.960 192 R CB -0.087 30.218 30.300 0.008 0.000 0.856 192 R HN 0.285 nan 8.270 nan 0.000 0.436 193 K N 0.155 120.564 120.400 0.016 0.000 2.057 193 K HA -0.159 4.163 4.320 0.003 0.000 0.207 193 K C 2.002 178.620 176.600 0.031 0.000 1.049 193 K CA 1.039 57.341 56.287 0.024 0.000 0.931 193 K CB -0.282 32.227 32.500 0.016 0.000 0.714 193 K HN 0.063 nan 8.250 nan 0.000 0.440 194 L N 1.388 122.625 121.223 0.022 0.000 2.012 194 L HA -0.152 4.190 4.340 0.003 0.000 0.210 194 L C 2.230 179.126 176.870 0.043 0.000 1.073 194 L CA 1.925 56.783 54.840 0.030 0.000 0.748 194 L CB -0.833 41.235 42.059 0.015 0.000 0.891 194 L HN 0.128 nan 8.230 nan 0.000 0.431 195 A N -1.079 121.761 122.820 0.034 0.000 1.902 195 A HA -0.303 4.018 4.320 0.003 0.000 0.217 195 A C 2.336 179.932 177.584 0.022 0.000 1.181 195 A CA 1.889 53.946 52.037 0.033 0.000 0.623 195 A CB -0.739 18.273 19.000 0.019 0.000 0.818 195 A HN 0.680 nan 8.150 nan 0.000 0.443 196 Q N -0.625 119.199 119.800 0.039 0.000 2.084 196 Q HA -0.112 4.229 4.340 0.003 0.000 0.202 196 Q C 2.046 178.119 176.000 0.122 0.000 0.978 196 Q CA 1.424 57.272 55.803 0.075 0.000 0.844 196 Q CB -0.218 28.588 28.738 0.113 0.000 0.898 196 Q HN 0.688 nan 8.270 nan 0.000 0.426 197 L N 0.309 121.591 121.223 0.099 0.000 2.017 197 L HA -0.205 4.137 4.340 0.003 0.000 0.208 197 L C 2.226 179.141 176.870 0.075 0.000 1.073 197 L CA 1.155 56.057 54.840 0.103 0.000 0.745 197 L CB -0.192 41.906 42.059 0.066 0.000 0.894 197 L HN 0.382 nan 8.230 nan 0.000 0.432 198 L N -0.644 120.604 121.223 0.042 0.000 2.131 198 L HA -0.247 4.094 4.340 0.003 0.000 0.210 198 L C 2.732 179.570 176.870 -0.053 0.000 1.092 198 L CA 1.108 55.953 54.840 0.009 0.000 0.759 198 L CB -0.568 41.513 42.059 0.037 0.000 0.903 198 L HN 0.299 nan 8.230 nan 0.000 0.435 199 R N -0.383 120.052 120.500 -0.110 0.000 2.127 199 R HA -0.195 4.147 4.340 0.003 0.000 0.238 199 R C 1.139 177.199 176.300 -0.400 0.000 1.134 199 R CA 1.592 57.514 56.100 -0.296 0.000 0.975 199 R CB -0.004 30.039 30.300 -0.429 0.000 0.865 199 R HN 0.298 nan 8.270 nan 0.000 0.447 200 Y N -0.658 119.631 120.300 -0.018 0.000 2.607 200 Y HA 0.355 4.907 4.550 0.003 0.000 0.266 200 Y C -0.110 175.771 175.900 -0.032 0.000 1.178 200 Y CA -0.349 57.738 58.100 -0.022 0.000 1.226 200 Y CB 0.869 39.319 38.460 -0.018 0.000 1.144 200 Y HN -0.123 nan 8.280 nan 0.000 0.528 201 S N -0.613 115.118 115.700 0.051 0.000 2.578 201 S HA 0.724 5.196 4.470 0.003 0.000 0.301 201 S C -0.100 174.476 174.600 -0.040 0.000 1.091 201 S CA -0.700 57.504 58.200 0.006 0.000 1.032 201 S CB 1.825 65.020 63.200 -0.008 0.000 1.064 201 S HN 0.068 nan 8.310 nan 0.000 0.508 202 S N 1.567 117.224 115.700 -0.072 0.000 2.671 202 S HA 0.526 4.997 4.470 0.003 0.000 0.299 202 S C -0.739 173.730 174.600 -0.217 0.000 1.116 202 S CA -1.084 57.049 58.200 -0.111 0.000 0.912 202 S CB 0.852 63.999 63.200 -0.089 0.000 1.130 202 S HN 0.738 nan 8.310 nan 0.000 0.501 203 N N 0.830 119.355 118.700 -0.292 0.000 2.667 203 N HA -0.151 4.591 4.740 0.003 0.000 0.263 203 N C -1.092 173.993 175.510 -0.709 0.000 1.038 203 N CA 0.576 53.166 53.050 -0.766 0.000 0.749 203 N CB -1.405 36.534 38.487 -0.913 0.000 0.892 203 N HN 0.569 nan 8.380 nan 0.000 0.546 204 I N -0.027 120.388 120.570 -0.259 0.000 2.365 204 I HA 0.531 4.702 4.170 0.003 0.000 0.291 204 I C 0.850 177.029 176.117 0.103 0.000 1.004 204 I CA -0.611 60.630 61.300 -0.098 0.000 1.311 204 I CB 1.462 39.412 38.000 -0.084 0.000 1.401 204 I HN 0.282 nan 8.210 nan 0.000 0.491 205 A N 7.305 130.194 122.820 0.114 0.000 2.380 205 A HA 0.873 5.195 4.320 0.003 0.000 0.315 205 A C -0.824 176.795 177.584 0.058 0.000 1.101 205 A CA -0.639 51.490 52.037 0.153 0.000 0.771 205 A CB 1.220 20.345 19.000 0.209 0.000 1.287 205 A HN 0.675 nan 8.150 nan 0.000 0.436 206 L N 1.588 122.829 121.223 0.031 0.000 2.307 206 L HA 0.567 4.909 4.340 0.003 0.000 0.284 206 L C -0.402 176.476 176.870 0.012 0.000 1.023 206 L CA -0.577 54.287 54.840 0.041 0.000 0.810 206 L CB 1.700 43.789 42.059 0.051 0.000 1.231 206 L HN 0.766 nan 8.230 nan 0.000 0.423 207 M N 4.136 123.748 119.600 0.019 0.000 2.066 207 M HA 0.406 4.888 4.480 0.003 0.000 0.340 207 M C -1.190 175.125 176.300 0.025 0.000 1.053 207 M CA -0.113 55.169 55.300 -0.029 0.000 0.983 207 M CB 0.624 33.193 32.600 -0.052 0.000 1.520 207 M HN 0.561 nan 8.290 nan 0.000 0.428 208 C N 3.910 123.228 119.300 0.031 0.000 2.379 208 C HA 0.980 5.442 4.460 0.003 0.000 0.323 208 C C 0.819 175.873 174.990 0.108 0.000 1.262 208 C CA -0.753 58.310 59.018 0.074 0.000 1.581 208 C CB 0.617 28.403 27.740 0.076 0.000 2.221 208 C HN 1.014 nan 8.230 nan 0.000 0.497 209 G N 0.937 109.807 108.800 0.117 0.000 3.075 209 G HA2 0.496 4.457 3.960 0.003 0.000 0.253 209 G HA3 0.496 4.457 3.960 0.003 0.000 0.253 209 G C 0.852 175.844 174.900 0.153 0.000 1.353 209 G CA 0.365 45.555 45.100 0.151 0.000 1.051 209 G HN 0.819 nan 8.290 nan 0.000 0.553 210 S N -1.270 114.541 115.700 0.185 0.000 2.507 210 S HA 0.020 4.492 4.470 0.003 0.000 0.235 210 S C 2.196 176.804 174.600 0.013 0.000 0.988 210 S CA 1.352 59.657 58.200 0.176 0.000 0.944 210 S CB -0.343 63.013 63.200 0.260 0.000 0.762 210 S HN 0.971 nan 8.310 nan 0.000 0.526 211 G N 0.352 109.176 108.800 0.039 0.000 2.498 211 G HA2 -0.144 3.817 3.960 0.003 0.000 0.219 211 G HA3 -0.144 3.817 3.960 0.003 0.000 0.219 211 G C 1.171 176.053 174.900 -0.031 0.000 1.119 211 G CA 0.837 45.933 45.100 -0.006 0.000 0.766 211 G HN 0.660 nan 8.290 nan 0.000 0.552 212 C N 0.991 120.282 119.300 -0.015 0.000 2.576 212 C HA 0.576 5.038 4.460 0.003 0.000 0.267 212 C C 1.984 176.943 174.990 -0.051 0.000 1.364 212 C CA -0.866 58.145 59.018 -0.012 0.000 1.723 212 C CB -1.440 26.322 27.740 0.035 0.000 1.778 212 C HN 0.598 nan 8.230 nan 0.000 0.572 213 A N 0.555 123.238 122.820 -0.227 0.000 2.567 213 A HA 0.394 4.716 4.320 0.003 0.000 0.240 213 A C 1.488 179.010 177.584 -0.103 0.000 1.053 213 A CA 1.201 53.000 52.037 -0.396 0.000 0.755 213 A CB -0.508 18.001 19.000 -0.818 0.000 0.978 213 A HN 1.495 nan 8.150 nan 0.000 0.507 214 G N 0.889 109.701 108.800 0.020 0.000 2.199 214 G HA2 0.046 4.008 3.960 0.003 0.000 0.254 214 G HA3 0.046 4.008 3.960 0.003 0.000 0.254 214 G C 0.772 175.711 174.900 0.064 0.000 0.982 214 G CA 0.822 45.953 45.100 0.052 0.000 0.632 214 G HN 2.207 nan 8.290 nan 0.000 0.529 215 A N -0.267 122.591 122.820 0.063 0.000 2.535 215 A HA 0.545 4.867 4.320 0.003 0.000 0.273 215 A C 1.235 178.860 177.584 0.069 0.000 1.267 215 A CA 1.144 53.209 52.037 0.046 0.000 0.940 215 A CB -0.380 18.620 19.000 0.001 0.000 1.101 215 A HN 0.607 nan 8.150 nan 0.000 0.521 216 H N 1.310 120.396 119.070 0.026 0.000 2.289 216 H HA -0.191 4.367 4.556 0.003 0.000 0.296 216 H C 1.964 177.292 175.328 0.000 0.000 1.091 216 H CA 2.267 58.312 56.048 -0.004 0.000 1.274 216 H CB 0.059 29.816 29.762 -0.009 0.000 1.364 216 H HN 0.567 nan 8.280 nan 0.000 0.490 217 K N 0.380 120.873 120.400 0.154 0.000 2.032 217 K HA -0.191 4.130 4.320 0.003 0.000 0.209 217 K C 2.091 178.707 176.600 0.027 0.000 1.048 217 K CA 2.065 58.413 56.287 0.103 0.000 0.927 217 K CB 0.068 32.635 32.500 0.112 0.000 0.712 217 K HN 0.254 nan 8.250 nan 0.000 0.441 218 E N 0.863 121.074 120.200 0.018 0.000 2.072 218 E HA -0.171 4.181 4.350 0.003 0.000 0.191 218 E C 1.774 178.380 176.600 0.009 0.000 0.985 218 E CA 0.864 57.267 56.400 0.005 0.000 0.801 218 E CB -0.228 29.460 29.700 -0.020 0.000 0.750 218 E HN 0.221 nan 8.360 nan 0.000 0.452 219 L N 0.115 121.324 121.223 -0.024 0.000 2.017 219 L HA -0.146 4.195 4.340 0.003 0.000 0.208 219 L C 2.061 178.918 176.870 -0.022 0.000 1.073 219 L CA 1.519 56.354 54.840 -0.007 0.000 0.745 219 L CB -0.500 41.518 42.059 -0.068 0.000 0.894 219 L HN 0.026 nan 8.230 nan 0.000 0.432 220 V N -0.217 119.629 119.914 -0.114 0.000 2.427 220 V HA -0.265 3.856 4.120 0.003 0.000 0.248 220 V C 2.602 178.687 176.094 -0.015 0.000 1.051 220 V CA 1.890 64.156 62.300 -0.056 0.000 1.048 220 V CB -0.561 31.200 31.823 -0.103 0.000 0.666 220 V HN 0.616 nan 8.190 nan 0.000 0.456 221 E N -0.446 119.760 120.200 0.011 0.000 2.072 221 E HA -0.250 4.102 4.350 0.003 0.000 0.191 221 E C 2.109 178.714 176.600 0.009 0.000 0.985 221 E CA 1.426 57.840 56.400 0.023 0.000 0.801 221 E CB -0.176 29.551 29.700 0.045 0.000 0.750 221 E HN 0.529 nan 8.360 nan 0.000 0.452 222 F N 1.350 121.221 119.950 -0.131 0.000 2.075 222 F HA -0.113 4.416 4.527 0.003 0.000 0.297 222 F C 2.104 177.771 175.800 -0.221 0.000 1.113 222 F CA 1.658 59.574 58.000 -0.140 0.000 1.218 222 F CB -0.873 38.062 39.000 -0.108 0.000 0.984 222 F HN 0.080 nan 8.300 nan 0.000 0.472 223 A N 0.292 122.879 122.820 -0.389 0.000 1.917 223 A HA -0.121 4.201 4.320 0.003 0.000 0.219 223 A C 2.508 179.548 177.584 -0.906 0.000 1.182 223 A CA 1.935 53.562 52.037 -0.683 0.000 0.633 223 A CB -1.836 16.780 19.000 -0.640 0.000 0.819 223 A HN 0.540 nan 8.150 nan 0.000 0.448 224 G N -0.823 107.419 108.800 -0.931 0.000 2.408 224 G HA2 -0.216 3.745 3.960 0.003 0.000 0.217 224 G HA3 -0.216 3.745 3.960 0.003 0.000 0.217 224 G C 1.639 176.367 174.900 -0.288 0.000 1.150 224 G CA 1.157 45.882 45.100 -0.626 0.000 0.776 224 G HN 0.579 nan 8.290 nan 0.000 0.542 225 K N 0.445 120.695 120.400 -0.250 0.000 2.025 225 K HA 0.013 4.334 4.320 0.003 0.000 0.207 225 K C 2.310 178.789 176.600 -0.201 0.000 1.049 225 K CA 1.403 57.594 56.287 -0.160 0.000 0.933 225 K CB -0.237 32.210 32.500 -0.088 0.000 0.714 225 K HN 0.505 nan 8.250 nan 0.000 0.438 226 I N -2.630 117.742 120.570 -0.330 0.000 3.883 226 I HA 0.125 4.297 4.170 0.003 0.000 0.326 226 I C -0.754 175.219 176.117 -0.240 0.000 1.283 226 I CA -0.313 60.809 61.300 -0.296 0.000 1.161 226 I CB 0.396 38.149 38.000 -0.411 0.000 1.012 226 I HN -0.049 nan 8.210 nan 0.000 0.421 227 K N 1.510 121.758 120.400 -0.254 0.000 3.393 227 K HA -0.143 4.179 4.320 0.003 0.000 0.272 227 K C -0.170 176.359 176.600 -0.117 0.000 1.004 227 K CA 0.985 57.178 56.287 -0.157 0.000 0.764 227 K CB -2.086 30.382 32.500 -0.054 0.000 1.373 227 K HN 0.653 nan 8.250 nan 0.000 0.458 228 A N 1.531 124.216 122.820 -0.225 0.000 2.287 228 A HA 0.617 4.939 4.320 0.003 0.000 0.317 228 A C -2.078 175.452 177.584 -0.089 0.000 1.220 228 A CA -1.485 50.483 52.037 -0.114 0.000 0.835 228 A CB 1.067 19.947 19.000 -0.200 0.000 1.180 228 A HN 0.024 nan 8.150 nan 0.000 0.500 229 P HA 0.255 nan 4.420 nan 0.000 0.269 229 P C -0.654 176.626 177.300 -0.033 0.000 1.215 229 P CA 0.254 63.331 63.100 -0.039 0.000 0.780 229 P CB 0.793 32.395 31.700 -0.162 0.000 0.898 230 I N 1.866 122.419 120.570 -0.028 0.000 2.404 230 I HA 0.303 4.474 4.170 0.003 0.000 0.293 230 I C 0.476 176.551 176.117 -0.070 0.000 0.992 230 I CA -0.978 60.306 61.300 -0.027 0.000 1.149 230 I CB 1.987 39.992 38.000 0.009 0.000 1.315 230 I HN 0.114 nan 8.210 nan 0.000 0.446 231 V N 6.370 126.223 119.914 -0.102 0.000 2.667 231 V HA 0.584 4.706 4.120 0.003 0.000 0.308 231 V C -0.784 175.216 176.094 -0.156 0.000 1.048 231 V CA -0.200 61.975 62.300 -0.207 0.000 0.928 231 V CB 1.736 33.375 31.823 -0.307 0.000 1.004 231 V HN 0.812 nan 8.190 nan 0.000 0.444 232 H N 4.269 123.241 119.070 -0.164 0.000 2.524 232 H HA 0.821 5.379 4.556 0.003 0.000 0.353 232 H C -0.134 175.114 175.328 -0.133 0.000 1.136 232 H CA -0.360 55.624 56.048 -0.107 0.000 1.193 232 H CB 1.760 31.496 29.762 -0.045 0.000 1.558 232 H HN 0.984 nan 8.280 nan 0.000 0.515 233 A N 2.734 125.575 122.820 0.035 0.000 2.366 233 A HA 0.119 4.441 4.320 0.003 0.000 0.249 233 A C 1.382 179.046 177.584 0.134 0.000 1.084 233 A CA -0.544 51.544 52.037 0.086 0.000 0.794 233 A CB 0.307 19.426 19.000 0.199 0.000 1.034 233 A HN 0.719 nan 8.150 nan 0.000 0.491 234 L N 0.813 122.071 121.223 0.058 0.000 2.013 234 L HA -0.180 4.162 4.340 0.003 0.000 0.212 234 L C 2.368 179.175 176.870 -0.105 0.000 1.073 234 L CA 2.065 56.844 54.840 -0.102 0.000 0.753 234 L CB -0.546 41.295 42.059 -0.362 0.000 0.890 234 L HN 0.758 nan 8.230 nan 0.000 0.432 235 R N -0.855 119.651 120.500 0.009 0.000 2.307 235 R HA 0.054 4.396 4.340 0.003 0.000 0.199 235 R C 1.877 178.301 176.300 0.207 0.000 1.000 235 R CA 0.699 56.882 56.100 0.137 0.000 1.023 235 R CB -0.540 29.910 30.300 0.251 0.000 0.908 235 R HN 0.551 nan 8.270 nan 0.000 0.473 236 G N 1.273 110.184 108.800 0.184 0.000 2.777 236 G HA2 -0.163 3.799 3.960 0.003 0.000 0.211 236 G HA3 -0.163 3.799 3.960 0.003 0.000 0.211 236 G C 1.323 176.261 174.900 0.063 0.000 1.149 236 G CA -0.190 45.036 45.100 0.210 0.000 0.785 236 G HN 0.203 nan 8.290 nan 0.000 0.536 237 K N 1.601 121.985 120.400 -0.026 0.000 2.020 237 K HA -0.214 4.108 4.320 0.003 0.000 0.212 237 K C 2.375 178.879 176.600 -0.161 0.000 1.050 237 K CA 1.961 58.089 56.287 -0.264 0.000 0.929 237 K CB -0.286 32.161 32.500 -0.088 0.000 0.714 237 K HN 0.506 nan 8.250 nan 0.000 0.443 238 E N -0.887 119.236 120.200 -0.128 0.000 2.265 238 E HA -0.213 4.139 4.350 0.003 0.000 0.196 238 E C 1.322 177.868 176.600 -0.089 0.000 0.996 238 E CA 1.169 57.476 56.400 -0.155 0.000 0.832 238 E CB -0.189 29.360 29.700 -0.252 0.000 0.756 238 E HN 0.538 nan 8.360 nan 0.000 0.491 239 H N -0.494 118.678 119.070 0.170 0.000 2.595 239 H HA 0.206 4.763 4.556 0.003 0.000 0.265 239 H C 1.437 176.905 175.328 0.234 0.000 0.953 239 H CA 0.729 56.923 56.048 0.244 0.000 1.197 239 H CB 1.262 31.119 29.762 0.160 0.000 1.438 239 H HN 0.129 nan 8.280 nan 0.000 0.531 240 V N -0.308 119.709 119.914 0.173 0.000 3.431 240 V HA 0.017 4.138 4.120 0.003 0.000 0.255 240 V C 1.010 177.046 176.094 -0.097 0.000 1.403 240 V CA 0.082 62.392 62.300 0.017 0.000 1.101 240 V CB 1.163 32.984 31.823 -0.004 0.000 0.891 240 V HN 0.145 nan 8.190 nan 0.000 0.446 241 E N 1.434 121.569 120.200 -0.107 0.000 2.325 241 E HA 0.264 4.615 4.350 0.003 0.000 0.295 241 E C -1.145 175.545 176.600 0.151 0.000 1.461 241 E CA -0.238 56.114 56.400 -0.081 0.000 1.698 241 E CB -0.015 29.537 29.700 -0.246 0.000 1.496 241 E HN 0.682 nan 8.360 nan 0.000 0.474 242 Y N -2.817 117.530 120.300 0.077 0.000 2.620 242 Y HA 0.222 4.773 4.550 0.003 0.000 0.331 242 Y C -0.682 175.310 175.900 0.152 0.000 1.173 242 Y CA -1.641 56.499 58.100 0.066 0.000 1.076 242 Y CB 0.447 38.907 38.460 -0.001 0.000 1.336 242 Y HN -0.059 nan 8.280 nan 0.000 0.459 243 D N 1.746 122.256 120.400 0.184 0.000 2.720 243 D HA -0.233 4.409 4.640 0.003 0.000 0.229 243 D C -0.865 175.488 176.300 0.087 0.000 1.198 243 D CA 1.570 55.649 54.000 0.130 0.000 0.639 243 D CB -0.797 40.110 40.800 0.178 0.000 1.003 243 D HN 0.690 nan 8.370 nan 0.000 0.411 244 N N 0.139 118.839 118.700 -0.000 0.000 2.653 244 N HA 0.171 4.912 4.740 0.003 0.000 0.261 244 N C -2.168 173.240 175.510 -0.170 0.000 1.216 244 N CA -1.446 51.560 53.050 -0.074 0.000 0.784 244 N CB 1.340 39.778 38.487 -0.082 0.000 1.327 244 N HN -0.194 nan 8.380 nan 0.000 0.539 245 P HA 0.030 nan 4.420 nan 0.000 0.242 245 P C 0.172 177.112 177.300 -0.600 0.000 1.197 245 P CA 0.685 63.498 63.100 -0.479 0.000 0.765 245 P CB 0.049 31.392 31.700 -0.594 0.000 0.936 246 Y N -0.838 119.391 120.300 -0.118 0.000 2.458 246 Y HA 0.182 4.734 4.550 0.003 0.000 0.254 246 Y C 1.163 176.953 175.900 -0.184 0.000 1.120 246 Y CA -0.775 57.242 58.100 -0.138 0.000 1.282 246 Y CB -0.307 38.081 38.460 -0.120 0.000 1.109 246 Y HN -0.037 nan 8.280 nan 0.000 0.526 247 D N 0.733 121.061 120.400 -0.120 0.000 2.348 247 D HA 0.069 4.711 4.640 0.003 0.000 0.253 247 D C 0.314 176.344 176.300 -0.451 0.000 1.161 247 D CA 0.393 54.294 54.000 -0.165 0.000 0.876 247 D CB 1.791 42.545 40.800 -0.077 0.000 1.160 247 D HN 0.028 nan 8.370 nan 0.000 0.459 248 V N 3.426 123.120 119.914 -0.368 0.000 3.276 248 V HA 0.330 4.451 4.120 0.003 0.000 0.319 248 V C 0.908 176.897 176.094 -0.176 0.000 1.427 248 V CA 0.760 62.792 62.300 -0.448 0.000 1.102 248 V CB -0.049 31.646 31.823 -0.213 0.000 1.020 248 V HN 0.935 nan 8.190 nan 0.000 0.456 249 G N 0.768 109.454 108.800 -0.190 0.000 2.445 249 G HA2 -0.128 3.834 3.960 0.003 0.000 0.212 249 G HA3 -0.128 3.834 3.960 0.003 0.000 0.212 249 G C -0.576 173.775 174.900 -0.914 0.000 1.217 249 G CA -0.124 44.755 45.100 -0.368 0.000 1.002 249 G HN 0.182 nan 8.290 nan 0.000 0.574 250 M N 0.689 119.563 119.600 -1.209 0.000 2.619 250 M HA 0.601 5.083 4.480 0.003 0.000 0.297 250 M C 0.457 176.335 176.300 -0.702 0.000 1.229 250 M CA -0.525 54.242 55.300 -0.887 0.000 0.860 250 M CB 2.565 34.763 32.600 -0.671 0.000 1.741 250 M HN 0.897 nan 8.290 nan 0.000 0.462 251 T N -1.205 113.038 114.554 -0.519 0.000 2.855 251 T HA 0.928 5.280 4.350 0.003 0.000 0.275 251 T C 0.347 174.800 174.700 -0.412 0.000 1.022 251 T CA -0.170 61.708 62.100 -0.370 0.000 0.977 251 T CB 1.105 69.812 68.868 -0.267 0.000 1.559 251 T HN 1.105 nan 8.240 nan 0.000 0.600 252 G N -0.701 107.597 108.800 -0.836 0.000 2.756 252 G HA2 -0.133 3.829 3.960 0.003 0.000 0.678 252 G HA3 -0.133 3.829 3.960 0.003 0.000 0.678 252 G C 0.372 174.765 174.900 -0.846 0.000 1.349 252 G CA -0.254 44.072 45.100 -1.291 0.000 0.847 252 G HN 0.798 nan 8.290 nan 0.000 0.548 253 L N 0.200 121.027 121.223 -0.659 0.000 2.191 253 L HA -0.007 4.335 4.340 0.003 0.000 0.212 253 L C 2.712 179.440 176.870 -0.236 0.000 1.103 253 L CA 2.030 56.694 54.840 -0.294 0.000 0.769 253 L CB -0.349 41.572 42.059 -0.231 0.000 0.908 253 L HN 0.675 nan 8.230 nan 0.000 0.438 254 I N -3.502 116.909 120.570 -0.266 0.000 3.883 254 I HA 0.280 4.452 4.170 0.003 0.000 0.326 254 I C 1.288 177.353 176.117 -0.087 0.000 1.283 254 I CA -0.154 61.045 61.300 -0.169 0.000 1.161 254 I CB -0.486 37.399 38.000 -0.191 0.000 1.012 254 I HN -0.025 nan 8.210 nan 0.000 0.421 255 G N 1.698 110.398 108.800 -0.167 0.000 2.485 255 G HA2 0.458 4.420 3.960 0.003 0.000 0.260 255 G HA3 0.458 4.420 3.960 0.003 0.000 0.260 255 G C -0.523 174.383 174.900 0.011 0.000 1.459 255 G CA -0.277 44.692 45.100 -0.218 0.000 1.060 255 G HN 0.407 nan 8.290 nan 0.000 0.546 256 F N -3.402 116.491 119.950 -0.095 0.000 2.726 256 F HA 0.539 5.067 4.527 0.003 0.000 0.324 256 F C 1.436 177.219 175.800 -0.028 0.000 1.140 256 F CA -0.513 57.447 58.000 -0.066 0.000 0.964 256 F CB 0.961 39.926 39.000 -0.058 0.000 1.399 256 F HN 0.469 nan 8.300 nan 0.000 0.491 257 S N 0.050 115.865 115.700 0.191 0.000 2.365 257 S HA -0.246 4.226 4.470 0.003 0.000 0.225 257 S C 1.864 176.497 174.600 0.055 0.000 1.039 257 S CA 1.891 60.124 58.200 0.055 0.000 1.033 257 S CB -1.408 61.858 63.200 0.110 0.000 0.887 257 S HN 0.860 nan 8.310 nan 0.000 0.447 258 S N 2.278 118.084 115.700 0.177 0.000 2.356 258 S HA 0.022 4.493 4.470 0.003 0.000 0.223 258 S C 2.177 176.778 174.600 0.002 0.000 1.032 258 S CA 1.081 59.375 58.200 0.156 0.000 1.005 258 S CB -1.757 61.620 63.200 0.295 0.000 0.867 258 S HN 0.724 nan 8.310 nan 0.000 0.449 259 G N 0.994 109.704 108.800 -0.150 0.000 2.421 259 G HA2 -0.150 3.812 3.960 0.003 0.000 0.216 259 G HA3 -0.150 3.812 3.960 0.003 0.000 0.216 259 G C 1.168 175.981 174.900 -0.146 0.000 1.171 259 G CA 0.875 45.812 45.100 -0.272 0.000 0.775 259 G HN 0.475 nan 8.290 nan 0.000 0.543 260 F N 1.676 121.481 119.950 -0.241 0.000 2.025 260 F HA -0.181 4.348 4.527 0.003 0.000 0.297 260 F C 2.751 178.502 175.800 -0.082 0.000 1.132 260 F CA 2.092 59.991 58.000 -0.167 0.000 1.191 260 F CB -0.617 38.236 39.000 -0.246 0.000 0.963 260 F HN 0.216 nan 8.300 nan 0.000 0.481 261 H N -0.619 118.352 119.070 -0.165 0.000 2.387 261 H HA -0.077 4.481 4.556 0.002 0.000 0.299 261 H C 2.299 177.538 175.328 -0.148 0.000 1.090 261 H CA 1.886 57.792 56.048 -0.237 0.000 1.332 261 H CB -1.154 28.584 29.762 -0.041 0.000 1.386 261 H HN 0.281 nan 8.280 nan 0.000 0.516 262 T N 1.467 116.023 114.554 0.004 0.000 2.746 262 T HA -0.127 4.225 4.350 0.003 0.000 0.267 262 T C 2.271 177.018 174.700 0.077 0.000 1.039 262 T CA 0.974 63.072 62.100 -0.003 0.000 1.142 262 T CB -0.060 68.739 68.868 -0.116 0.000 0.866 262 T HN 0.158 nan 8.240 nan 0.000 0.444 263 M N 0.496 120.065 119.600 -0.050 0.000 2.086 263 M HA 0.009 4.491 4.480 0.003 0.000 0.261 263 M C 2.326 178.594 176.300 -0.054 0.000 1.067 263 M CA 1.436 56.697 55.300 -0.065 0.000 1.116 263 M CB -0.724 31.785 32.600 -0.152 0.000 1.348 263 M HN 0.243 nan 8.290 nan 0.000 0.407 264 M N -0.030 119.471 119.600 -0.164 0.000 2.229 264 M HA -0.141 4.341 4.480 0.003 0.000 0.264 264 M C 1.207 177.474 176.300 -0.055 0.000 1.063 264 M CA 1.319 56.522 55.300 -0.162 0.000 1.114 264 M CB -1.390 30.976 32.600 -0.389 0.000 1.387 264 M HN 0.242 nan 8.290 nan 0.000 0.420 265 N N 0.443 119.152 118.700 0.015 0.000 2.353 265 N HA 0.150 4.891 4.740 0.003 0.000 0.185 265 N C 0.394 175.917 175.510 0.022 0.000 1.098 265 N CA 0.145 53.232 53.050 0.062 0.000 0.872 265 N CB -0.058 38.517 38.487 0.146 0.000 0.970 265 N HN 0.174 nan 8.380 nan 0.000 0.467 266 A N 0.717 123.556 122.820 0.031 0.000 2.531 266 A HA 0.061 4.382 4.320 0.003 0.000 0.236 266 A C 0.616 178.074 177.584 -0.208 0.000 1.062 266 A CA 0.130 52.040 52.037 -0.211 0.000 0.760 266 A CB 0.310 19.292 19.000 -0.031 0.000 0.995 266 A HN 0.038 nan 8.150 nan 0.000 0.501 267 D N 0.104 120.319 120.400 -0.308 0.000 2.346 267 D HA 0.109 4.751 4.640 0.003 0.000 0.206 267 D C -0.144 176.084 176.300 -0.121 0.000 1.001 267 D CA 1.270 55.162 54.000 -0.180 0.000 0.871 267 D CB 0.400 41.087 40.800 -0.188 0.000 0.943 267 D HN 0.498 nan 8.370 nan 0.000 0.518 268 T N 0.733 115.206 114.554 -0.134 0.000 2.991 268 T HA 0.450 4.802 4.350 0.003 0.000 0.303 268 T C -1.199 173.480 174.700 -0.034 0.000 1.015 268 T CA -0.583 61.477 62.100 -0.066 0.000 1.007 268 T CB 2.269 71.097 68.868 -0.066 0.000 1.034 268 T HN -0.168 nan 8.240 nan 0.000 0.446 269 L N 4.064 125.295 121.223 0.013 0.000 2.381 269 L HA 0.769 5.111 4.340 0.003 0.000 0.274 269 L C -1.253 175.658 176.870 0.068 0.000 0.988 269 L CA -0.636 54.234 54.840 0.051 0.000 0.824 269 L CB 1.762 43.873 42.059 0.087 0.000 1.263 269 L HN 0.498 nan 8.230 nan 0.000 0.410 270 V N 6.378 126.339 119.914 0.080 0.000 2.334 270 V HA 0.383 4.505 4.120 0.003 0.000 0.281 270 V C 0.035 176.190 176.094 0.102 0.000 1.016 270 V CA -0.588 61.771 62.300 0.098 0.000 0.832 270 V CB 1.244 33.154 31.823 0.145 0.000 0.999 270 V HN 0.560 nan 8.190 nan 0.000 0.439 271 L N 6.461 127.745 121.223 0.102 0.000 2.283 271 L HA 0.457 4.799 4.340 0.003 0.000 0.287 271 L C -0.457 176.464 176.870 0.085 0.000 1.073 271 L CA -0.109 54.800 54.840 0.115 0.000 0.822 271 L CB 0.530 42.676 42.059 0.145 0.000 1.186 271 L HN 0.459 nan 8.230 nan 0.000 0.436 272 L N 3.898 125.169 121.223 0.079 0.000 2.295 272 L HA 0.403 4.745 4.340 0.003 0.000 0.281 272 L C 0.965 177.869 176.870 0.056 0.000 1.018 272 L CA -0.505 54.366 54.840 0.052 0.000 0.841 272 L CB 1.371 43.457 42.059 0.046 0.000 1.218 272 L HN 0.881 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 -0.253 3.709 3.960 0.003 0.000 0.299 273 G HA3 -0.253 3.709 3.960 0.003 0.000 0.299 273 G C 0.054 175.007 174.900 0.088 0.000 1.014 273 G CA 0.780 45.908 45.100 0.046 0.000 1.097 273 G HN 0.607 nan 8.290 nan 0.000 0.512 274 T N -1.388 113.238 114.554 0.119 0.000 2.903 274 T HA 0.659 5.011 4.350 0.003 0.000 0.299 274 T C 0.455 175.284 174.700 0.215 0.000 1.093 274 T CA -0.356 61.848 62.100 0.173 0.000 1.002 274 T CB 1.758 70.740 68.868 0.189 0.000 1.127 274 T HN 0.211 nan 8.240 nan 0.000 0.488 275 Q N 1.860 121.804 119.800 0.241 0.000 2.118 275 Q HA 0.275 4.616 4.340 0.003 0.000 0.219 275 Q C -0.525 175.564 176.000 0.148 0.000 0.794 275 Q CA -0.468 55.488 55.803 0.255 0.000 1.035 275 Q CB 0.426 29.293 28.738 0.216 0.000 1.177 275 Q HN 0.717 nan 8.270 nan 0.000 0.478 276 F N 3.937 123.914 119.950 0.046 0.000 2.417 276 F HA -0.062 4.466 4.527 0.003 0.000 0.412 276 F C -1.690 173.950 175.800 -0.265 0.000 0.964 276 F CA -0.672 57.279 58.000 -0.081 0.000 1.081 276 F CB 0.961 39.945 39.000 -0.027 0.000 0.909 276 F HN 0.084 nan 8.300 nan 0.000 0.522 277 P HA -0.030 nan 4.420 nan 0.000 0.257 277 P C -0.784 175.938 177.300 -0.964 0.000 1.241 277 P CA 0.532 62.780 63.100 -1.419 0.000 0.816 277 P CB 0.028 30.970 31.700 -1.263 0.000 1.150 278 Y N 0.938 120.829 120.300 -0.681 0.000 2.627 278 Y HA 0.313 4.865 4.550 0.003 0.000 0.347 278 Y C 1.904 177.969 175.900 0.275 0.000 1.099 278 Y CA -0.392 57.602 58.100 -0.177 0.000 1.408 278 Y CB -0.107 38.214 38.460 -0.232 0.000 1.247 278 Y HN -0.229 nan 8.280 nan 0.000 0.506 279 R N 1.713 122.445 120.500 0.387 0.000 2.127 279 R HA -0.186 4.155 4.340 0.003 0.000 0.238 279 R C 2.056 178.624 176.300 0.448 0.000 1.134 279 R CA 1.366 57.750 56.100 0.474 0.000 0.975 279 R CB -0.131 30.342 30.300 0.288 0.000 0.865 279 R HN 0.724 nan 8.270 nan 0.000 0.447 280 A N -0.185 122.818 122.820 0.305 0.000 2.168 280 A HA -0.043 4.278 4.320 0.003 0.000 0.215 280 A C 1.295 178.888 177.584 0.015 0.000 1.152 280 A CA 0.730 52.828 52.037 0.102 0.000 0.716 280 A CB -0.305 18.659 19.000 -0.061 0.000 0.794 280 A HN 0.227 nan 8.150 nan 0.000 0.465 281 F N -2.004 118.117 119.950 0.284 0.000 2.765 281 F HA 0.216 4.745 4.527 0.004 0.000 0.302 281 F C 0.239 176.086 175.800 0.078 0.000 1.111 281 F CA -0.156 57.980 58.000 0.226 0.000 1.359 281 F CB -0.154 39.030 39.000 0.306 0.000 1.097 281 F HN 0.138 nan 8.300 nan 0.000 0.577 282 Y N 1.947 122.432 120.300 0.310 0.000 2.304 282 Y HA 0.272 4.823 4.550 0.002 0.000 0.327 282 Y C -1.658 174.298 175.900 0.094 0.000 1.209 282 Y CA -3.080 55.129 58.100 0.181 0.000 1.299 282 Y CB -0.190 38.379 38.460 0.181 0.000 1.249 282 Y HN -0.200 nan 8.280 nan 0.000 0.519 283 P HA 0.019 nan 4.420 nan 0.000 0.270 283 P C 0.038 177.394 177.300 0.094 0.000 1.223 283 P CA 0.061 63.220 63.100 0.098 0.000 0.785 283 P CB 1.062 32.800 31.700 0.063 0.000 0.923 284 T N -0.116 114.469 114.554 0.051 0.000 2.852 284 T HA -0.043 4.308 4.350 0.003 0.000 0.256 284 T C 0.118 174.834 174.700 0.026 0.000 1.038 284 T CA 1.435 63.559 62.100 0.041 0.000 1.141 284 T CB -0.472 68.412 68.868 0.027 0.000 0.869 284 T HN 0.615 nan 8.240 nan 0.000 0.439 285 D N 0.824 121.232 120.400 0.013 0.000 2.513 285 D HA 0.583 5.224 4.640 0.003 0.000 0.295 285 D C -0.690 175.606 176.300 -0.008 0.000 1.202 285 D CA -0.572 53.430 54.000 0.003 0.000 0.849 285 D CB 0.307 41.105 40.800 -0.003 0.000 1.116 285 D HN 0.335 nan 8.370 nan 0.000 0.502 286 A N 1.338 124.158 122.820 -0.001 0.000 2.311 286 A HA 0.609 4.931 4.320 0.003 0.000 0.334 286 A C 0.123 177.704 177.584 -0.005 0.000 1.139 286 A CA -0.957 51.073 52.037 -0.013 0.000 0.830 286 A CB 1.106 20.106 19.000 -0.001 0.000 1.234 286 A HN 0.161 nan 8.150 nan 0.000 0.483 287 K N 1.137 121.530 120.400 -0.012 0.000 2.322 287 K HA 0.353 4.675 4.320 0.003 0.000 0.283 287 K C -0.946 175.658 176.600 0.007 0.000 1.042 287 K CA 0.417 56.701 56.287 -0.004 0.000 0.958 287 K CB 0.593 33.090 32.500 -0.005 0.000 0.984 287 K HN 0.550 nan 8.250 nan 0.000 0.473 288 I N 5.028 125.604 120.570 0.010 0.000 2.406 288 I HA 0.361 4.533 4.170 0.003 0.000 0.290 288 I C -0.060 176.067 176.117 0.016 0.000 0.999 288 I CA -0.762 60.550 61.300 0.020 0.000 1.124 288 I CB 1.257 39.262 38.000 0.008 0.000 1.289 288 I HN 0.327 nan 8.210 nan 0.000 0.441 289 I N 5.790 126.379 120.570 0.031 0.000 2.433 289 I HA 0.387 4.559 4.170 0.003 0.000 0.292 289 I C -0.459 175.680 176.117 0.037 0.000 1.001 289 I CA -0.458 60.860 61.300 0.031 0.000 1.119 289 I CB 1.956 39.982 38.000 0.043 0.000 1.289 289 I HN 0.561 nan 8.210 nan 0.000 0.438 290 Q N 6.642 126.456 119.800 0.023 0.000 2.323 290 Q HA 0.645 4.987 4.340 0.003 0.000 0.271 290 Q C -1.752 174.256 176.000 0.013 0.000 1.048 290 Q CA -0.564 55.256 55.803 0.027 0.000 0.792 290 Q CB 2.228 30.979 28.738 0.021 0.000 1.280 290 Q HN 0.610 nan 8.270 nan 0.000 0.441 291 I N 3.166 123.744 120.570 0.013 0.000 2.406 291 I HA 0.523 4.695 4.170 0.003 0.000 0.290 291 I C -0.767 175.349 176.117 -0.002 0.000 0.999 291 I CA -0.614 60.681 61.300 -0.007 0.000 1.124 291 I CB 1.744 39.726 38.000 -0.030 0.000 1.289 291 I HN 0.624 nan 8.210 nan 0.000 0.441 292 D N 4.834 125.228 120.400 -0.010 0.000 2.654 292 D HA 0.309 4.951 4.640 0.003 0.000 0.231 292 D C 0.346 176.633 176.300 -0.023 0.000 1.239 292 D CA -0.464 53.530 54.000 -0.011 0.000 0.790 292 D CB 2.535 43.335 40.800 0.001 0.000 1.480 292 D HN 0.531 nan 8.370 nan 0.000 0.442 293 I N -0.478 120.073 120.570 -0.032 0.000 3.251 293 I HA 0.185 4.356 4.170 0.003 0.000 0.277 293 I C 0.694 176.790 176.117 -0.035 0.000 1.268 293 I CA 0.121 61.400 61.300 -0.035 0.000 1.449 293 I CB -0.121 37.854 38.000 -0.041 0.000 1.083 293 I HN -0.036 nan 8.210 nan 0.000 0.464 294 N N 1.836 120.513 118.700 -0.038 0.000 2.476 294 N HA 0.301 5.043 4.740 0.003 0.000 0.257 294 N C -1.987 173.511 175.510 -0.020 0.000 0.970 294 N CA -2.519 50.511 53.050 -0.034 0.000 0.938 294 N CB 1.740 40.194 38.487 -0.054 0.000 1.144 294 N HN -0.204 nan 8.380 nan 0.000 0.500 295 P HA -0.098 nan 4.420 nan 0.000 0.217 295 P C 0.684 177.976 177.300 -0.013 0.000 1.148 295 P CA 1.095 64.187 63.100 -0.013 0.000 0.828 295 P CB 0.265 31.959 31.700 -0.010 0.000 0.783 296 A N -1.060 121.756 122.820 -0.008 0.000 2.121 296 A HA -0.086 4.236 4.320 0.003 0.000 0.218 296 A C 2.167 179.743 177.584 -0.013 0.000 1.154 296 A CA 1.549 53.583 52.037 -0.006 0.000 0.679 296 A CB -1.097 17.911 19.000 0.012 0.000 0.795 296 A HN 0.135 nan 8.150 nan 0.000 0.458 297 S N -0.591 115.106 115.700 -0.006 0.000 2.501 297 S HA 0.218 4.690 4.470 0.003 0.000 0.220 297 S C 0.594 175.189 174.600 -0.009 0.000 0.997 297 S CA -0.137 58.069 58.200 0.009 0.000 0.919 297 S CB -0.179 63.039 63.200 0.031 0.000 0.778 297 S HN 0.507 nan 8.310 nan 0.000 0.523 298 I N 2.217 122.775 120.570 -0.020 0.000 2.421 298 I HA 0.260 4.432 4.170 0.003 0.000 0.291 298 I C 1.276 177.362 176.117 -0.051 0.000 1.089 298 I CA 0.078 61.363 61.300 -0.025 0.000 1.354 298 I CB 0.283 38.271 38.000 -0.020 0.000 1.413 298 I HN 0.361 nan 8.210 nan 0.000 0.513 299 G N 4.504 113.264 108.800 -0.066 0.000 2.143 299 G HA2 -0.299 3.663 3.960 0.003 0.000 0.249 299 G HA3 -0.299 3.663 3.960 0.003 0.000 0.249 299 G C 0.972 175.782 174.900 -0.151 0.000 0.981 299 G CA 0.289 45.331 45.100 -0.096 0.000 0.665 299 G HN 0.777 nan 8.290 nan 0.000 0.528 300 A N -0.492 122.201 122.820 -0.211 0.000 1.968 300 A HA 0.212 4.534 4.320 0.003 0.000 0.217 300 A C 1.560 178.714 177.584 -0.718 0.000 1.169 300 A CA 1.873 53.636 52.037 -0.456 0.000 0.638 300 A CB -0.228 18.453 19.000 -0.532 0.000 0.812 300 A HN 0.708 nan 8.150 nan 0.000 0.446 301 H N -1.452 117.588 119.070 -0.050 0.000 2.885 301 H HA 0.287 4.844 4.556 0.003 0.000 0.254 301 H C -0.288 174.893 175.328 -0.245 0.000 1.185 301 H CA 0.613 56.634 56.048 -0.046 0.000 1.029 301 H CB 0.122 29.943 29.762 0.098 0.000 1.743 301 H HN 0.553 nan 8.280 nan 0.000 0.632 302 S N 0.236 115.790 115.700 -0.243 0.000 2.595 302 S HA 0.348 4.819 4.470 0.003 0.000 0.270 302 S C -0.796 173.696 174.600 -0.180 0.000 1.145 302 S CA -1.186 56.818 58.200 -0.328 0.000 0.825 302 S CB 2.546 65.293 63.200 -0.755 0.000 1.107 302 S HN 0.308 nan 8.310 nan 0.000 0.461 303 K N 0.278 120.605 120.400 -0.121 0.000 2.230 303 K HA 0.628 4.950 4.320 0.003 0.000 0.253 303 K C -0.863 175.691 176.600 -0.078 0.000 1.008 303 K CA -0.625 55.617 56.287 -0.075 0.000 0.910 303 K CB 0.382 32.856 32.500 -0.043 0.000 0.994 303 K HN 0.464 nan 8.250 nan 0.000 0.495 304 V N 2.162 122.045 119.914 -0.051 0.000 2.569 304 V HA 0.069 4.191 4.120 0.003 0.000 0.301 304 V C -0.307 175.773 176.094 -0.022 0.000 1.044 304 V CA -0.705 61.573 62.300 -0.037 0.000 0.874 304 V CB 1.579 33.380 31.823 -0.036 0.000 1.002 304 V HN 0.941 nan 8.190 nan 0.000 0.424 305 D N 3.387 123.779 120.400 -0.014 0.000 2.240 305 D HA 0.126 4.768 4.640 0.003 0.000 0.206 305 D C 0.421 176.718 176.300 -0.004 0.000 0.963 305 D CA 0.957 54.953 54.000 -0.008 0.000 0.863 305 D CB 0.914 41.711 40.800 -0.004 0.000 0.973 305 D HN 0.423 nan 8.370 nan 0.000 0.501 306 M N 0.661 120.260 119.600 -0.001 0.000 2.271 306 M HA 0.463 4.945 4.480 0.003 0.000 0.285 306 M C -2.177 174.123 176.300 -0.001 0.000 1.059 306 M CA -0.421 54.879 55.300 0.001 0.000 0.940 306 M CB 2.481 35.085 32.600 0.008 0.000 1.636 306 M HN -0.197 nan 8.290 nan 0.000 0.460 307 A N 4.949 127.766 122.820 -0.005 0.000 2.342 307 A HA 0.891 5.213 4.320 0.003 0.000 0.323 307 A C -1.795 175.783 177.584 -0.009 0.000 1.125 307 A CA -0.571 51.462 52.037 -0.007 0.000 0.785 307 A CB 1.097 20.090 19.000 -0.012 0.000 1.221 307 A HN 0.739 nan 8.150 nan 0.000 0.463 308 L N 1.923 123.139 121.223 -0.011 0.000 2.408 308 L HA 0.513 4.854 4.340 0.003 0.000 0.268 308 L C -0.489 176.370 176.870 -0.020 0.000 0.986 308 L CA -0.506 54.324 54.840 -0.017 0.000 0.820 308 L CB 2.067 44.112 42.059 -0.023 0.000 1.303 308 L HN 0.396 nan 8.230 nan 0.000 0.411 309 V N 1.884 121.786 119.914 -0.021 0.000 2.383 309 V HA 0.927 5.049 4.120 0.003 0.000 0.275 309 V C 0.518 176.596 176.094 -0.028 0.000 1.036 309 V CA -0.091 62.196 62.300 -0.022 0.000 0.889 309 V CB 0.770 32.581 31.823 -0.020 0.000 0.985 309 V HN 0.913 nan 8.190 nan 0.000 0.459 310 G N 3.387 112.168 108.800 -0.031 0.000 2.519 310 G HA2 0.465 4.427 3.960 0.003 0.000 0.292 310 G HA3 0.465 4.427 3.960 0.003 0.000 0.292 310 G C -1.709 173.168 174.900 -0.038 0.000 1.507 310 G CA -0.769 44.309 45.100 -0.036 0.000 0.806 310 G HN 0.767 nan 8.290 nan 0.000 0.523 311 D N 0.260 120.637 120.400 -0.038 0.000 2.302 311 D HA 0.309 4.951 4.640 0.003 0.000 0.248 311 D C 1.480 177.751 176.300 -0.048 0.000 1.094 311 D CA -0.705 53.273 54.000 -0.038 0.000 0.897 311 D CB 0.668 41.450 40.800 -0.030 0.000 1.200 311 D HN 0.094 nan 8.370 nan 0.000 0.429 312 I N 3.034 123.575 120.570 -0.048 0.000 2.179 312 I HA -0.189 3.983 4.170 0.003 0.000 0.242 312 I C 2.208 178.282 176.117 -0.072 0.000 1.088 312 I CA 1.339 62.600 61.300 -0.064 0.000 1.357 312 I CB -1.188 36.783 38.000 -0.049 0.000 1.051 312 I HN 0.713 nan 8.210 nan 0.000 0.409 313 K N 0.842 121.213 120.400 -0.048 0.000 2.009 313 K HA -0.178 4.144 4.320 0.003 0.000 0.210 313 K C 2.356 178.928 176.600 -0.047 0.000 1.049 313 K CA 2.074 58.338 56.287 -0.038 0.000 0.929 313 K CB 0.033 32.523 32.500 -0.016 0.000 0.714 313 K HN 0.126 nan 8.250 nan 0.000 0.440 314 S N -0.029 115.646 115.700 -0.043 0.000 2.368 314 S HA -0.098 4.374 4.470 0.003 0.000 0.225 314 S C 1.845 176.408 174.600 -0.061 0.000 1.030 314 S CA 1.734 59.909 58.200 -0.042 0.000 0.999 314 S CB -0.268 62.912 63.200 -0.033 0.000 0.844 314 S HN 0.471 nan 8.310 nan 0.000 0.459 315 T N 2.892 117.400 114.554 -0.078 0.000 2.708 315 T HA 0.029 4.381 4.350 0.003 0.000 0.266 315 T C 1.769 176.379 174.700 -0.149 0.000 1.037 315 T CA 0.996 63.034 62.100 -0.103 0.000 1.146 315 T CB -0.437 68.365 68.868 -0.110 0.000 0.865 315 T HN 0.258 nan 8.240 nan 0.000 0.435 316 L N 0.268 121.381 121.223 -0.184 0.000 2.083 316 L HA -0.070 4.272 4.340 0.003 0.000 0.209 316 L C 2.918 179.699 176.870 -0.147 0.000 1.083 316 L CA 1.298 55.986 54.840 -0.252 0.000 0.752 316 L CB -0.492 41.407 42.059 -0.266 0.000 0.899 316 L HN 0.165 nan 8.230 nan 0.000 0.433 317 R N -0.147 120.299 120.500 -0.090 0.000 2.096 317 R HA -0.138 4.203 4.340 0.003 0.000 0.235 317 R C 2.374 178.645 176.300 -0.048 0.000 1.127 317 R CA 1.432 57.501 56.100 -0.052 0.000 0.968 317 R CB -0.327 29.953 30.300 -0.033 0.000 0.861 317 R HN 0.360 nan 8.270 nan 0.000 0.440 318 A N 0.387 123.172 122.820 -0.058 0.000 1.970 318 A HA -0.073 4.248 4.320 0.003 0.000 0.216 318 A C 1.929 179.482 177.584 -0.051 0.000 1.170 318 A CA 0.651 52.660 52.037 -0.046 0.000 0.645 318 A CB -0.177 18.796 19.000 -0.044 0.000 0.816 318 A HN 0.223 nan 8.150 nan 0.000 0.447 319 L N -0.418 120.755 121.223 -0.083 0.000 2.095 319 L HA 0.064 4.406 4.340 0.003 0.000 0.204 319 L C 2.186 179.034 176.870 -0.038 0.000 1.080 319 L CA 1.332 56.122 54.840 -0.083 0.000 0.759 319 L CB -0.523 41.431 42.059 -0.175 0.000 0.914 319 L HN 0.357 nan 8.230 nan 0.000 0.439 320 L N 0.067 121.267 121.223 -0.038 0.000 2.021 320 L HA -0.217 4.124 4.340 0.003 0.000 0.215 320 L C -0.319 176.566 176.870 0.026 0.000 1.074 320 L CA 1.794 56.650 54.840 0.026 0.000 0.760 320 L CB -1.824 40.250 42.059 0.024 0.000 0.889 320 L HN 0.286 nan 8.230 nan 0.000 0.433 321 P HA -0.114 nan 4.420 nan 0.000 0.226 321 P C 1.580 178.883 177.300 0.006 0.000 1.153 321 P CA 1.184 64.288 63.100 0.006 0.000 0.777 321 P CB 0.075 31.775 31.700 0.000 0.000 0.794 322 L N -2.061 119.166 121.223 0.006 0.000 2.446 322 L HA 0.065 4.407 4.340 0.003 0.000 0.219 322 L C 0.640 177.517 176.870 0.010 0.000 1.116 322 L CA 0.144 54.986 54.840 0.005 0.000 0.844 322 L CB -0.125 41.935 42.059 0.001 0.000 0.970 322 L HN -0.242 nan 8.230 nan 0.000 0.457 323 V N 0.831 120.761 119.914 0.028 0.000 2.432 323 V HA 0.098 4.220 4.120 0.003 0.000 0.275 323 V C 0.386 176.484 176.094 0.006 0.000 1.043 323 V CA -0.529 61.792 62.300 0.036 0.000 0.925 323 V CB 1.374 33.264 31.823 0.112 0.000 0.985 323 V HN 0.155 nan 8.190 nan 0.000 0.466 324 E N 3.357 123.543 120.200 -0.025 0.000 2.354 324 E HA 0.141 4.493 4.350 0.003 0.000 0.269 324 E C 0.059 176.630 176.600 -0.049 0.000 1.036 324 E CA -0.332 56.044 56.400 -0.041 0.000 0.876 324 E CB 0.776 30.436 29.700 -0.066 0.000 1.009 324 E HN 0.678 nan 8.360 nan 0.000 0.416 325 E N 3.183 123.357 120.200 -0.042 0.000 2.376 325 E HA -0.006 4.346 4.350 0.003 0.000 0.266 325 E C -0.680 175.884 176.600 -0.060 0.000 1.009 325 E CA 0.117 56.487 56.400 -0.050 0.000 0.902 325 E CB 0.581 30.261 29.700 -0.034 0.000 0.972 325 E HN 0.240 nan 8.360 nan 0.000 0.439 326 K N 2.248 122.604 120.400 -0.073 0.000 2.156 326 K HA 0.313 4.635 4.320 0.003 0.000 0.271 326 K C 0.157 176.729 176.600 -0.047 0.000 0.995 326 K CA -0.290 55.956 56.287 -0.068 0.000 0.890 326 K CB 1.844 34.294 32.500 -0.083 0.000 1.073 326 K HN 0.464 nan 8.250 nan 0.000 0.454 327 A N 1.687 124.486 122.820 -0.034 0.000 2.030 327 A HA -0.073 4.249 4.320 0.003 0.000 0.215 327 A C 0.601 178.179 177.584 -0.010 0.000 1.164 327 A CA 0.655 52.681 52.037 -0.019 0.000 0.697 327 A CB -0.121 18.870 19.000 -0.014 0.000 0.827 327 A HN 0.753 nan 8.150 nan 0.000 0.457 328 D N 0.717 121.109 120.400 -0.013 0.000 2.338 328 D HA 0.208 4.850 4.640 0.003 0.000 0.255 328 D C 0.850 177.159 176.300 0.015 0.000 1.237 328 D CA -0.125 53.876 54.000 0.001 0.000 0.883 328 D CB 0.367 41.166 40.800 -0.003 0.000 1.087 328 D HN 0.468 nan 8.370 nan 0.000 0.485 329 R N 2.256 122.773 120.500 0.028 0.000 2.596 329 R HA 0.268 4.610 4.340 0.003 0.000 0.369 329 R C 1.011 177.345 176.300 0.057 0.000 1.042 329 R CA -0.561 55.565 56.100 0.042 0.000 1.120 329 R CB 0.205 30.525 30.300 0.034 0.000 1.353 329 R HN 0.113 nan 8.270 nan 0.000 0.564 330 K N 0.600 121.041 120.400 0.069 0.000 2.032 330 K HA -0.120 4.201 4.320 0.003 0.000 0.209 330 K C 1.318 177.985 176.600 0.112 0.000 1.048 330 K CA 1.807 58.140 56.287 0.076 0.000 0.927 330 K CB -0.234 32.310 32.500 0.075 0.000 0.712 330 K HN 0.084 nan 8.250 nan 0.000 0.441 331 F N 1.721 121.663 119.950 -0.013 0.000 2.102 331 F HA -0.190 4.338 4.527 0.003 0.000 0.298 331 F C 1.948 177.745 175.800 -0.005 0.000 1.105 331 F CA 1.058 59.049 58.000 -0.014 0.000 1.239 331 F CB -0.458 38.526 39.000 -0.026 0.000 0.991 331 F HN -0.064 nan 8.300 nan 0.000 0.474 332 L N 0.664 121.871 121.223 -0.026 0.000 2.012 332 L HA -0.210 4.132 4.340 0.003 0.000 0.210 332 L C 1.950 178.762 176.870 -0.098 0.000 1.073 332 L CA 2.202 56.980 54.840 -0.102 0.000 0.748 332 L CB -1.252 40.821 42.059 0.023 0.000 0.891 332 L HN 0.040 nan 8.230 nan 0.000 0.431 333 D N -0.409 119.968 120.400 -0.037 0.000 2.144 333 D HA -0.204 4.438 4.640 0.003 0.000 0.199 333 D C 2.145 178.419 176.300 -0.043 0.000 0.984 333 D CA 1.270 55.256 54.000 -0.024 0.000 0.834 333 D CB -0.024 40.777 40.800 0.001 0.000 0.955 333 D HN 0.256 nan 8.370 nan 0.000 0.465 334 K N 1.109 121.467 120.400 -0.069 0.000 2.057 334 K HA 0.000 4.322 4.320 0.003 0.000 0.206 334 K C 1.828 178.363 176.600 -0.108 0.000 1.050 334 K CA 1.408 57.653 56.287 -0.070 0.000 0.935 334 K CB -0.503 31.965 32.500 -0.053 0.000 0.715 334 K HN -0.000 nan 8.250 nan 0.000 0.439 335 A N 0.762 123.442 122.820 -0.233 0.000 1.908 335 A HA -0.119 4.203 4.320 0.003 0.000 0.218 335 A C 2.223 179.778 177.584 -0.048 0.000 1.181 335 A CA 1.672 53.582 52.037 -0.211 0.000 0.627 335 A CB -0.741 18.024 19.000 -0.390 0.000 0.818 335 A HN 0.334 nan 8.150 nan 0.000 0.445 336 L N -1.078 120.122 121.223 -0.038 0.000 2.083 336 L HA -0.186 4.155 4.340 0.003 0.000 0.209 336 L C 2.648 179.579 176.870 0.102 0.000 1.083 336 L CA 1.720 56.588 54.840 0.047 0.000 0.752 336 L CB -0.435 41.629 42.059 0.009 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 0.046 0.000 2.072 337 E HA -0.222 4.129 4.350 0.003 0.000 0.191 337 E C 1.633 178.269 176.600 0.061 0.000 0.985 337 E CA 1.200 57.626 56.400 0.044 0.000 0.801 337 E CB 0.187 29.898 29.700 0.019 0.000 0.750 337 E HN 0.393 nan 8.360 nan 0.000 0.452 338 D N -0.262 120.181 120.400 0.072 0.000 2.123 338 D HA -0.199 4.443 4.640 0.003 0.000 0.196 338 D C 1.600 177.989 176.300 0.148 0.000 0.992 338 D CA 0.954 55.019 54.000 0.109 0.000 0.833 338 D CB -0.417 40.457 40.800 0.123 0.000 0.954 338 D HN 0.277 nan 8.370 nan 0.000 0.455 339 Y N 1.645 121.971 120.300 0.042 0.000 2.145 339 Y HA -0.146 4.406 4.550 0.003 0.000 0.286 339 Y C 2.245 178.173 175.900 0.048 0.000 1.145 339 Y CA 1.549 59.691 58.100 0.071 0.000 1.148 339 Y CB -0.095 38.395 38.460 0.050 0.000 0.981 339 Y HN -0.167 nan 8.280 nan 0.000 0.507 340 R N 0.065 120.544 120.500 -0.036 0.000 2.091 340 R HA -0.176 4.166 4.340 0.003 0.000 0.238 340 R C 1.783 177.997 176.300 -0.143 0.000 1.136 340 R CA 1.616 57.635 56.100 -0.134 0.000 0.959 340 R CB -0.371 29.917 30.300 -0.021 0.000 0.856 340 R HN 0.414 nan 8.270 nan 0.000 0.437 341 D N 0.368 120.729 120.400 -0.065 0.000 2.097 341 D HA -0.115 4.527 4.640 0.003 0.000 0.195 341 D C 1.817 178.070 176.300 -0.078 0.000 0.989 341 D CA 1.507 55.479 54.000 -0.046 0.000 0.827 341 D CB -0.283 40.523 40.800 0.009 0.000 0.966 341 D HN 0.231 nan 8.370 nan 0.000 0.456 342 A N 0.845 123.620 122.820 -0.076 0.000 1.902 342 A HA -0.184 4.138 4.320 0.003 0.000 0.217 342 A C 2.214 179.632 177.584 -0.277 0.000 1.181 342 A CA 1.419 53.402 52.037 -0.089 0.000 0.623 342 A CB -0.488 18.575 19.000 0.104 0.000 0.818 342 A HN 0.081 nan 8.150 nan 0.000 0.443 343 R N -0.457 119.789 120.500 -0.423 0.000 2.096 343 R HA -0.142 4.200 4.340 0.003 0.000 0.235 343 R C 2.335 178.470 176.300 -0.274 0.000 1.127 343 R CA 1.788 57.606 56.100 -0.471 0.000 0.968 343 R CB -0.198 29.747 30.300 -0.593 0.000 0.861 343 R HN 0.608 nan 8.270 nan 0.000 0.440 344 K N -0.581 119.698 120.400 -0.202 0.000 2.097 344 K HA -0.095 4.227 4.320 0.003 0.000 0.205 344 K C 1.895 178.436 176.600 -0.097 0.000 1.050 344 K CA 1.571 57.785 56.287 -0.122 0.000 0.938 344 K CB -0.217 32.229 32.500 -0.091 0.000 0.718 344 K HN 0.268 nan 8.250 nan 0.000 0.442 345 G N 1.363 110.101 108.800 -0.104 0.000 2.418 345 G HA2 -0.210 3.751 3.960 0.003 0.000 0.217 345 G HA3 -0.210 3.751 3.960 0.003 0.000 0.217 345 G C 1.342 176.200 174.900 -0.071 0.000 1.158 345 G CA 0.445 45.501 45.100 -0.073 0.000 0.771 345 G HN 0.157 nan 8.290 nan 0.000 0.545 346 L N 1.285 122.427 121.223 -0.134 0.000 2.042 346 L HA -0.052 4.290 4.340 0.003 0.000 0.210 346 L C 2.309 179.227 176.870 0.081 0.000 1.076 346 L CA 1.633 56.411 54.840 -0.104 0.000 0.749 346 L CB -0.784 41.036 42.059 -0.399 0.000 0.893 346 L HN 0.143 nan 8.230 nan 0.000 0.432 347 D N -0.735 119.669 120.400 0.007 0.000 2.178 347 D HA -0.143 4.499 4.640 0.003 0.000 0.202 347 D C 1.753 178.061 176.300 0.014 0.000 0.974 347 D CA 0.825 54.852 54.000 0.045 0.000 0.841 347 D CB -0.088 40.704 40.800 -0.013 0.000 0.953 347 D HN 0.302 nan 8.370 nan 0.000 0.478 348 D N -0.028 120.361 120.400 -0.017 0.000 2.219 348 D HA -0.045 4.597 4.640 0.003 0.000 0.205 348 D C 2.074 178.336 176.300 -0.063 0.000 0.970 348 D CA 0.292 54.268 54.000 -0.039 0.000 0.851 348 D CB -0.016 40.757 40.800 -0.044 0.000 0.943 348 D HN 0.262 nan 8.370 nan 0.000 0.488 349 L N 0.061 121.251 121.223 -0.055 0.000 2.395 349 L HA 0.063 4.405 4.340 0.003 0.000 0.218 349 L C 1.351 178.117 176.870 -0.173 0.000 1.130 349 L CA 0.258 55.016 54.840 -0.137 0.000 0.826 349 L CB -0.018 41.995 42.059 -0.077 0.000 0.941 349 L HN -0.109 nan 8.230 nan 0.000 0.451 350 A N 0.427 123.190 122.820 -0.095 0.000 3.282 350 A HA 0.337 4.658 4.320 0.003 0.000 0.287 350 A C 0.090 177.703 177.584 0.048 0.000 1.366 350 A CA -0.264 51.714 52.037 -0.097 0.000 1.069 350 A CB -0.349 18.536 19.000 -0.191 0.000 1.109 350 A HN 0.119 nan 8.150 nan 0.000 0.638 351 K N 1.207 121.584 120.400 -0.038 0.000 2.267 351 K HA 0.545 4.867 4.320 0.003 0.000 0.246 351 K C -2.828 173.448 176.600 -0.539 0.000 0.954 351 K CA -2.208 53.969 56.287 -0.183 0.000 0.824 351 K CB 1.903 34.331 32.500 -0.119 0.000 1.167 351 K HN 0.166 nan 8.250 nan 0.000 0.431 352 P HA 0.068 nan 4.420 nan 0.000 0.272 352 P C -0.851 176.185 177.300 -0.441 0.000 1.223 352 P CA -0.279 62.242 63.100 -0.965 0.000 0.784 352 P CB 1.352 32.610 31.700 -0.737 0.000 0.923 353 S N -0.233 115.242 115.700 -0.375 0.000 2.596 353 S HA 0.242 4.714 4.470 0.003 0.000 0.270 353 S C 0.392 174.866 174.600 -0.209 0.000 1.155 353 S CA -0.486 57.564 58.200 -0.250 0.000 0.827 353 S CB 1.310 64.350 63.200 -0.267 0.000 1.130 353 S HN 0.356 nan 8.310 nan 0.000 0.467 354 E N 0.540 120.650 120.200 -0.149 0.000 2.400 354 E HA 0.143 4.495 4.350 0.003 0.000 0.195 354 E C 1.093 177.623 176.600 -0.117 0.000 1.012 354 E CA 0.254 56.584 56.400 -0.118 0.000 0.875 354 E CB 0.182 29.831 29.700 -0.085 0.000 0.859 354 E HN 0.356 nan 8.360 nan 0.000 0.498 355 K N 0.450 120.769 120.400 -0.134 0.000 2.001 355 K HA 0.075 4.397 4.320 0.003 0.000 0.208 355 K C 0.123 176.639 176.600 -0.141 0.000 1.048 355 K CA 1.107 57.323 56.287 -0.119 0.000 0.932 355 K CB 0.303 32.740 32.500 -0.105 0.000 0.715 355 K HN 0.102 nan 8.250 nan 0.000 0.437 356 A N -0.885 121.801 122.820 -0.224 0.000 2.549 356 A HA 0.425 4.747 4.320 0.003 0.000 0.291 356 A C -1.498 175.887 177.584 -0.331 0.000 1.034 356 A CA -0.864 51.047 52.037 -0.210 0.000 0.655 356 A CB 0.456 19.366 19.000 -0.151 0.000 1.299 356 A HN 0.060 nan 8.150 nan 0.000 0.427 357 I N 3.010 123.446 120.570 -0.223 0.000 2.312 357 I HA 0.236 4.407 4.170 0.003 0.000 0.291 357 I C -0.228 175.774 176.117 -0.191 0.000 1.031 357 I CA -0.549 60.629 61.300 -0.204 0.000 1.293 357 I CB 0.602 38.542 38.000 -0.099 0.000 1.403 357 I HN 0.505 nan 8.210 nan 0.000 0.484 358 H N 8.655 127.671 119.070 -0.090 0.000 2.975 358 H HA 0.073 4.631 4.556 0.003 0.000 0.303 358 H C -1.466 173.730 175.328 -0.220 0.000 1.023 358 H CA -2.019 53.937 56.048 -0.153 0.000 1.473 358 H CB 0.541 30.197 29.762 -0.177 0.000 1.498 358 H HN 0.422 nan 8.280 nan 0.000 0.549 359 P HA -0.170 nan 4.420 nan 0.000 0.219 359 P C 1.226 178.146 177.300 -0.634 0.000 1.146 359 P CA 1.097 64.005 63.100 -0.319 0.000 0.808 359 P CB 0.426 31.964 31.700 -0.270 0.000 0.779 360 Q N -1.003 118.266 119.800 -0.886 0.000 2.172 360 Q HA -0.185 4.157 4.340 0.003 0.000 0.200 360 Q C 2.182 177.748 176.000 -0.724 0.000 0.964 360 Q CA 1.101 56.273 55.803 -1.051 0.000 0.855 360 Q CB -1.596 26.465 28.738 -1.127 0.000 0.918 360 Q HN 0.237 nan 8.270 nan 0.000 0.444 361 Y N 2.238 122.256 120.300 -0.470 0.000 2.128 361 Y HA -0.231 4.320 4.550 0.003 0.000 0.284 361 Y C 2.223 177.985 175.900 -0.229 0.000 1.154 361 Y CA 1.470 59.395 58.100 -0.291 0.000 1.149 361 Y CB -0.457 37.903 38.460 -0.168 0.000 0.976 361 Y HN 0.151 nan 8.280 nan 0.000 0.505 362 L N 0.811 121.852 121.223 -0.302 0.000 2.012 362 L HA -0.122 4.220 4.340 0.003 0.000 0.210 362 L C 2.431 179.180 176.870 -0.201 0.000 1.073 362 L CA 2.350 56.982 54.840 -0.347 0.000 0.748 362 L CB -1.428 40.395 42.059 -0.392 0.000 0.891 362 L HN 0.262 nan 8.230 nan 0.000 0.431 363 A N -1.081 121.695 122.820 -0.073 0.000 1.902 363 A HA -0.283 4.039 4.320 0.003 0.000 0.217 363 A C 2.339 179.922 177.584 -0.001 0.000 1.181 363 A CA 1.750 53.849 52.037 0.105 0.000 0.623 363 A CB -0.780 18.342 19.000 0.202 0.000 0.818 363 A HN 0.691 nan 8.150 nan 0.000 0.443 364 Q N -1.067 118.634 119.800 -0.165 0.000 2.124 364 Q HA -0.238 4.104 4.340 0.003 0.000 0.202 364 Q C 1.981 177.930 176.000 -0.084 0.000 0.977 364 Q CA 1.648 57.395 55.803 -0.092 0.000 0.850 364 Q CB -0.111 28.534 28.738 -0.155 0.000 0.901 364 Q HN 0.641 nan 8.270 nan 0.000 0.429 365 Q N 0.074 119.763 119.800 -0.186 0.000 2.187 365 Q HA -0.030 4.312 4.340 0.003 0.000 0.199 365 Q C 2.147 178.247 176.000 0.166 0.000 0.957 365 Q CA 0.718 56.467 55.803 -0.090 0.000 0.857 365 Q CB -0.058 28.537 28.738 -0.239 0.000 0.929 365 Q HN 0.502 nan 8.270 nan 0.000 0.453 366 I N 0.432 121.096 120.570 0.157 0.000 2.163 366 I HA -0.290 3.882 4.170 0.003 0.000 0.243 366 I C 2.517 178.840 176.117 0.344 0.000 1.085 366 I CA 1.263 62.769 61.300 0.343 0.000 1.347 366 I CB -0.334 37.862 38.000 0.327 0.000 1.044 366 I HN 0.133 nan 8.210 nan 0.000 0.408 367 S N -0.332 115.467 115.700 0.165 0.000 2.382 367 S HA -0.298 4.174 4.470 0.003 0.000 0.228 367 S C 2.116 176.793 174.600 0.128 0.000 1.027 367 S CA 1.781 60.042 58.200 0.102 0.000 0.991 367 S CB -0.376 62.837 63.200 0.021 0.000 0.823 367 S HN 0.555 nan 8.310 nan 0.000 0.469 368 H N -0.512 118.530 119.070 -0.046 0.000 2.357 368 H HA 0.073 4.631 4.556 0.003 0.000 0.301 368 H C 1.278 176.484 175.328 -0.203 0.000 1.082 368 H CA 2.083 57.999 56.048 -0.220 0.000 1.342 368 H CB -0.299 29.177 29.762 -0.477 0.000 1.389 368 H HN 0.494 nan 8.280 nan 0.000 0.511 369 F N 0.098 120.121 119.950 0.122 0.000 2.714 369 F HA 0.409 4.938 4.527 0.003 0.000 0.294 369 F C 1.600 177.551 175.800 0.251 0.000 1.120 369 F CA 0.376 58.463 58.000 0.145 0.000 1.398 369 F CB -0.369 38.775 39.000 0.241 0.000 1.120 369 F HN 0.181 nan 8.300 nan 0.000 0.589 370 A N 0.803 123.845 122.820 0.370 0.000 2.406 370 A HA 0.586 4.908 4.320 0.003 0.000 0.243 370 A C 0.683 178.233 177.584 -0.057 0.000 1.082 370 A CA -0.113 51.901 52.037 -0.039 0.000 0.786 370 A CB -0.219 18.837 19.000 0.092 0.000 1.029 370 A HN 0.241 nan 8.150 nan 0.000 0.495 371 A N 0.512 123.207 122.820 -0.208 0.000 2.448 371 A HA 0.320 4.642 4.320 0.003 0.000 0.239 371 A C 1.026 178.566 177.584 -0.072 0.000 1.080 371 A CA 0.447 52.406 52.037 -0.130 0.000 0.779 371 A CB 0.007 18.902 19.000 -0.175 0.000 1.026 371 A HN 0.997 nan 8.150 nan 0.000 0.499 372 D N -0.154 120.215 120.400 -0.051 0.000 2.371 372 D HA -0.087 4.555 4.640 0.003 0.000 0.221 372 D C 0.126 176.397 176.300 -0.048 0.000 0.986 372 D CA 1.104 55.085 54.000 -0.032 0.000 0.899 372 D CB 0.058 40.839 40.800 -0.032 0.000 0.902 372 D HN 0.532 nan 8.370 nan 0.000 0.530 373 D N -0.579 119.773 120.400 -0.080 0.000 2.673 373 D HA 0.285 4.927 4.640 0.003 0.000 0.278 373 D C 0.164 176.372 176.300 -0.153 0.000 1.393 373 D CA -0.695 53.248 54.000 -0.094 0.000 0.805 373 D CB -0.438 40.312 40.800 -0.084 0.000 1.110 373 D HN 0.195 nan 8.370 nan 0.000 0.476 374 A N 0.568 123.248 122.820 -0.232 0.000 2.466 374 A HA 0.419 4.740 4.320 0.003 0.000 0.238 374 A C 0.250 177.530 177.584 -0.505 0.000 1.074 374 A CA -0.079 51.672 52.037 -0.478 0.000 0.774 374 A CB 0.162 18.668 19.000 -0.824 0.000 1.015 374 A HN 0.401 nan 8.150 nan 0.000 0.498 375 I N 1.589 121.869 120.570 -0.484 0.000 2.321 375 I HA 0.315 4.486 4.170 0.003 0.000 0.291 375 I C -1.010 174.860 176.117 -0.413 0.000 0.998 375 I CA 0.028 61.142 61.300 -0.311 0.000 1.227 375 I CB 0.839 38.744 38.000 -0.158 0.000 1.368 375 I HN 0.490 nan 8.210 nan 0.000 0.466 376 F N 3.799 123.748 119.950 -0.001 0.000 2.443 376 F HA 0.520 5.048 4.527 0.003 0.000 0.335 376 F C 0.747 176.564 175.800 0.028 0.000 1.104 376 F CA -0.634 57.381 58.000 0.026 0.000 1.013 376 F CB 1.917 40.950 39.000 0.055 0.000 1.136 376 F HN 0.347 nan 8.300 nan 0.000 0.470 377 T N -0.463 114.207 114.554 0.194 0.000 2.908 377 T HA 0.737 5.089 4.350 0.003 0.000 0.290 377 T C -0.828 173.931 174.700 0.099 0.000 1.034 377 T CA -0.888 61.266 62.100 0.091 0.000 1.010 377 T CB 1.378 70.246 68.868 0.000 0.000 1.068 377 T HN 0.918 nan 8.240 nan 0.000 0.481 378 C N 1.187 120.505 119.300 0.030 0.000 2.608 378 C HA 0.702 5.164 4.460 0.003 0.000 0.325 378 C C -0.495 174.456 174.990 -0.065 0.000 1.147 378 C CA -1.019 58.010 59.018 0.017 0.000 1.359 378 C CB 0.677 28.463 27.740 0.077 0.000 1.912 378 C HN 0.899 nan 8.230 nan 0.000 0.466 379 D N 1.826 122.178 120.400 -0.080 0.000 2.414 379 D HA 0.251 4.893 4.640 0.003 0.000 0.242 379 D C 0.356 176.598 176.300 -0.097 0.000 1.129 379 D CA 0.250 54.185 54.000 -0.109 0.000 0.885 379 D CB 1.658 42.405 40.800 -0.088 0.000 1.198 379 D HN 0.566 nan 8.370 nan 0.000 0.437 380 V N 2.191 122.047 119.914 -0.097 0.000 2.617 380 V HA 0.443 4.564 4.120 0.003 0.000 0.304 380 V C 1.214 177.259 176.094 -0.082 0.000 1.040 380 V CA 1.271 63.533 62.300 -0.064 0.000 1.149 380 V CB 0.235 32.023 31.823 -0.058 0.000 0.914 380 V HN 0.872 nan 8.190 nan 0.000 0.487 381 G N 3.997 112.737 108.800 -0.101 0.000 2.298 381 G HA2 -0.048 3.914 3.960 0.003 0.000 0.309 381 G HA3 -0.048 3.914 3.960 0.003 0.000 0.309 381 G C 0.620 175.379 174.900 -0.235 0.000 1.279 381 G CA 0.333 45.355 45.100 -0.131 0.000 1.042 381 G HN 1.090 nan 8.290 nan 0.000 0.480 382 T N -1.453 112.941 114.554 -0.267 0.000 2.803 382 T HA -0.034 4.318 4.350 0.003 0.000 0.269 382 T C 0.113 174.349 174.700 -0.773 0.000 1.052 382 T CA 2.442 64.213 62.100 -0.548 0.000 1.136 382 T CB -1.035 67.681 68.868 -0.254 0.000 0.864 382 T HN 0.334 nan 8.240 nan 0.000 0.467 383 P HA -0.003 nan 4.420 nan 0.000 0.220 383 P C 1.607 178.731 177.300 -0.294 0.000 1.148 383 P CA 1.103 63.901 63.100 -0.505 0.000 0.803 383 P CB -0.376 31.075 31.700 -0.415 0.000 0.782 384 T N -0.895 113.530 114.554 -0.216 0.000 2.777 384 T HA -0.089 4.263 4.350 0.003 0.000 0.266 384 T C 1.791 176.391 174.700 -0.167 0.000 1.040 384 T CA 1.197 63.259 62.100 -0.064 0.000 1.141 384 T CB -0.922 67.968 68.868 0.036 0.000 0.868 384 T HN -0.100 nan 8.240 nan 0.000 0.444 385 V N 0.114 119.793 119.914 -0.392 0.000 2.295 385 V HA -0.192 3.929 4.120 0.003 0.000 0.246 385 V C 2.103 178.087 176.094 -0.184 0.000 1.049 385 V CA 1.531 63.561 62.300 -0.450 0.000 1.024 385 V CB -0.880 30.404 31.823 -0.900 0.000 0.648 385 V HN 0.655 nan 8.190 nan 0.000 0.447 386 W N 0.005 121.318 121.300 0.023 0.000 2.388 386 W HA 0.038 4.699 4.660 0.003 0.000 0.294 386 W C 2.650 179.253 176.519 0.139 0.000 1.212 386 W CA 0.455 57.891 57.345 0.151 0.000 1.271 386 W CB -0.468 29.023 29.460 0.051 0.000 1.126 386 W HN 0.178 nan 8.180 nan 0.000 0.535 387 A N 1.200 124.139 122.820 0.198 0.000 1.877 387 A HA -0.127 4.194 4.320 0.003 0.000 0.216 387 A C 2.104 179.732 177.584 0.073 0.000 1.186 387 A CA 2.449 54.548 52.037 0.103 0.000 0.620 387 A CB -1.336 17.708 19.000 0.073 0.000 0.822 387 A HN 0.213 nan 8.150 nan 0.000 0.443 388 A N -0.396 122.450 122.820 0.043 0.000 1.917 388 A HA -0.205 4.117 4.320 0.003 0.000 0.219 388 A C 2.265 179.892 177.584 0.072 0.000 1.182 388 A CA 1.811 53.865 52.037 0.029 0.000 0.633 388 A CB -0.405 18.581 19.000 -0.022 0.000 0.819 388 A HN 0.570 nan 8.150 nan 0.000 0.448 389 R N -3.219 117.300 120.500 0.031 0.000 2.223 389 R HA 0.118 4.459 4.340 0.003 0.000 0.198 389 R C 0.881 176.858 176.300 -0.538 0.000 0.984 389 R CA 0.938 56.889 56.100 -0.249 0.000 1.018 389 R CB 0.030 30.101 30.300 -0.382 0.000 0.945 389 R HN 0.673 nan 8.270 nan 0.000 0.479 390 Y N -0.567 119.774 120.300 0.068 0.000 2.432 390 Y HA 0.277 4.828 4.550 0.003 0.000 0.252 390 Y C 0.366 176.251 175.900 -0.024 0.000 1.097 390 Y CA -0.440 57.673 58.100 0.022 0.000 1.250 390 Y CB 0.772 39.258 38.460 0.042 0.000 1.245 390 Y HN -0.179 nan 8.280 nan 0.000 0.522 391 L N 2.413 123.661 121.223 0.041 0.000 2.361 391 L HA 0.151 4.493 4.340 0.003 0.000 0.278 391 L C 0.265 177.099 176.870 -0.061 0.000 1.113 391 L CA -0.084 54.683 54.840 -0.122 0.000 0.849 391 L CB 0.776 42.653 42.059 -0.303 0.000 1.155 391 L HN 0.023 nan 8.230 nan 0.000 0.452 392 K N 4.635 125.012 120.400 -0.038 0.000 2.276 392 K HA 0.331 4.653 4.320 0.003 0.000 0.285 392 K C -0.405 176.203 176.600 0.013 0.000 1.062 392 K CA -0.667 55.629 56.287 0.015 0.000 0.918 392 K CB 0.672 33.197 32.500 0.041 0.000 1.055 392 K HN 0.401 nan 8.250 nan 0.000 0.477 393 M N 2.896 122.515 119.600 0.031 0.000 2.471 393 M HA 0.187 4.669 4.480 0.003 0.000 0.309 393 M C 0.466 176.748 176.300 -0.029 0.000 1.186 393 M CA -0.463 54.841 55.300 0.007 0.000 1.008 393 M CB 0.949 33.565 32.600 0.026 0.000 1.551 393 M HN 0.789 nan 8.290 nan 0.000 0.477 394 N N -1.343 117.204 118.700 -0.254 0.000 2.036 394 N HA 0.192 4.934 4.740 0.003 0.000 0.224 394 N C 0.638 175.576 175.510 -0.952 0.000 1.381 394 N CA 0.489 53.300 53.050 -0.399 0.000 0.746 394 N CB 0.117 38.507 38.487 -0.160 0.000 1.213 394 N HN 0.926 nan 8.380 nan 0.000 0.524 395 G N 0.513 108.498 108.800 -1.359 0.000 2.195 395 G HA2 -0.356 3.605 3.960 0.003 0.000 0.246 395 G HA3 -0.356 3.605 3.960 0.003 0.000 0.246 395 G C 0.784 175.434 174.900 -0.417 0.000 0.984 395 G CA 0.796 45.209 45.100 -1.144 0.000 0.633 395 G HN 0.475 nan 8.290 nan 0.000 0.525 396 K N -0.509 119.708 120.400 -0.304 0.000 2.380 396 K HA 0.276 4.598 4.320 0.003 0.000 0.200 396 K C 1.416 177.952 176.600 -0.107 0.000 1.201 396 K CA -0.355 55.839 56.287 -0.156 0.000 0.916 396 K CB 0.403 32.831 32.500 -0.121 0.000 1.187 396 K HN 0.259 nan 8.250 nan 0.000 0.498 397 R N 1.493 121.940 120.500 -0.087 0.000 2.756 397 R HA 0.128 4.470 4.340 0.003 0.000 0.264 397 R C -0.102 176.204 176.300 0.011 0.000 1.026 397 R CA 0.357 56.461 56.100 0.006 0.000 1.121 397 R CB 0.389 30.776 30.300 0.145 0.000 0.999 397 R HN -0.037 nan 8.270 nan 0.000 0.449 398 R N 1.221 121.763 120.500 0.070 0.000 2.795 398 R HA 0.463 4.805 4.340 0.003 0.000 0.275 398 R C -1.330 175.079 176.300 0.181 0.000 0.981 398 R CA -1.236 54.903 56.100 0.065 0.000 0.917 398 R CB 1.590 31.904 30.300 0.023 0.000 1.202 398 R HN 0.299 nan 8.270 nan 0.000 0.469 399 L N 2.794 124.106 121.223 0.148 0.000 2.404 399 L HA 0.513 4.855 4.340 0.003 0.000 0.272 399 L C -1.478 175.523 176.870 0.219 0.000 0.980 399 L CA -0.289 54.686 54.840 0.225 0.000 0.836 399 L CB 1.323 43.507 42.059 0.208 0.000 1.238 399 L HN 0.457 nan 8.230 nan 0.000 0.408 400 L N 4.610 125.925 121.223 0.153 0.000 2.342 400 L HA 1.012 5.354 4.340 0.003 0.000 0.271 400 L C 0.366 177.114 176.870 -0.204 0.000 1.008 400 L CA -0.547 54.304 54.840 0.019 0.000 0.818 400 L CB 1.749 43.795 42.059 -0.022 0.000 1.296 400 L HN 0.760 nan 8.230 nan 0.000 0.427 401 G N -0.093 108.293 108.800 -0.691 0.000 2.706 401 G HA2 0.321 4.282 3.960 0.003 0.000 0.307 401 G HA3 0.321 4.282 3.960 0.003 0.000 0.307 401 G C -1.406 172.975 174.900 -0.865 0.000 1.307 401 G CA -0.273 44.161 45.100 -1.110 0.000 0.790 401 G HN 0.353 nan 8.290 nan 0.000 0.503 402 S N 0.054 115.361 115.700 -0.656 0.000 2.514 402 S HA 0.416 4.887 4.470 0.003 0.000 0.179 402 S C 0.350 174.877 174.600 -0.121 0.000 1.409 402 S CA -0.671 57.392 58.200 -0.229 0.000 1.138 402 S CB -0.671 62.524 63.200 -0.009 0.000 1.217 402 S HN 0.368 nan 8.310 nan 0.000 0.493 403 F N 1.332 121.317 119.950 0.058 0.000 2.367 403 F HA 0.193 4.722 4.527 0.003 0.000 0.298 403 F C 2.112 177.933 175.800 0.036 0.000 1.094 403 F CA 0.265 58.289 58.000 0.040 0.000 1.409 403 F CB -0.286 38.742 39.000 0.046 0.000 1.064 403 F HN 0.413 nan 8.300 nan 0.000 0.528 404 N N -1.308 117.512 118.700 0.200 0.000 2.428 404 N HA -0.092 4.650 4.740 0.003 0.000 0.181 404 N C 1.767 177.367 175.510 0.150 0.000 1.028 404 N CA 0.887 54.015 53.050 0.129 0.000 0.877 404 N CB -0.555 37.980 38.487 0.079 0.000 1.064 404 N HN 0.223 nan 8.380 nan 0.000 0.434 405 H N 0.111 119.221 119.070 0.066 0.000 2.470 405 H HA 0.170 4.728 4.556 0.003 0.000 0.289 405 H C 0.603 175.962 175.328 0.052 0.000 1.033 405 H CA 1.246 57.339 56.048 0.074 0.000 1.331 405 H CB -0.328 29.497 29.762 0.107 0.000 1.414 405 H HN 0.298 nan 8.280 nan 0.000 0.545 406 G N 0.573 109.368 108.800 -0.009 0.000 2.256 406 G HA2 -0.270 3.691 3.960 0.003 0.000 0.272 406 G HA3 -0.270 3.691 3.960 0.003 0.000 0.272 406 G C 0.039 174.860 174.900 -0.131 0.000 1.076 406 G CA 0.657 45.721 45.100 -0.060 0.000 0.882 406 G HN 0.666 nan 8.290 nan 0.000 0.497 407 S N -0.299 115.358 115.700 -0.073 0.000 2.499 407 S HA 0.680 5.152 4.470 0.003 0.000 0.279 407 S C 1.215 175.796 174.600 -0.032 0.000 1.219 407 S CA -0.548 57.635 58.200 -0.028 0.000 1.062 407 S CB 0.361 63.695 63.200 0.223 0.000 0.978 407 S HN 0.393 nan 8.310 nan 0.000 0.489 408 M N 3.779 123.347 119.600 -0.053 0.000 2.243 408 M HA 0.143 4.625 4.480 0.003 0.000 0.309 408 M C 1.294 177.525 176.300 -0.117 0.000 1.050 408 M CA 1.250 56.506 55.300 -0.074 0.000 1.139 408 M CB -0.002 32.565 32.600 -0.055 0.000 1.457 408 M HN 1.107 nan 8.290 nan 0.000 0.440 409 A N 0.828 123.551 122.820 -0.160 0.000 3.080 409 A HA -0.180 4.142 4.320 0.003 0.000 0.254 409 A C 1.083 178.407 177.584 -0.433 0.000 1.277 409 A CA 1.137 53.043 52.037 -0.218 0.000 1.065 409 A CB -2.543 16.356 19.000 -0.167 0.000 1.160 409 A HN 1.025 nan 8.150 nan 0.000 0.886 410 N N 0.119 118.497 118.700 -0.537 0.000 2.354 410 N HA 0.125 4.866 4.740 0.003 0.000 0.179 410 N C 1.689 176.871 175.510 -0.546 0.000 1.021 410 N CA 1.440 53.936 53.050 -0.923 0.000 0.887 410 N CB -0.630 37.459 38.487 -0.662 0.000 0.974 410 N HN 1.115 nan 8.380 nan 0.000 0.437 411 A N 2.224 124.865 122.820 -0.299 0.000 1.858 411 A HA -0.094 4.228 4.320 0.003 0.000 0.216 411 A C 2.397 179.915 177.584 -0.110 0.000 1.190 411 A CA 1.656 53.597 52.037 -0.161 0.000 0.617 411 A CB -0.696 18.263 19.000 -0.069 0.000 0.827 411 A HN 0.420 nan 8.150 nan 0.000 0.443 412 M N -0.218 119.340 119.600 -0.070 0.000 2.132 412 M HA -0.037 4.445 4.480 0.003 0.000 0.263 412 M C -1.057 175.210 176.300 -0.054 0.000 1.065 412 M CA 1.895 57.200 55.300 0.008 0.000 1.122 412 M CB -0.843 31.826 32.600 0.116 0.000 1.365 412 M HN 0.137 nan 8.290 nan 0.000 0.411 413 P HA -0.140 nan 4.420 nan 0.000 0.215 413 P C 1.081 178.285 177.300 -0.160 0.000 1.153 413 P CA 1.480 64.492 63.100 -0.147 0.000 0.853 413 P CB -0.149 31.425 31.700 -0.209 0.000 0.788 414 Q N -0.808 118.877 119.800 -0.192 0.000 2.124 414 Q HA -0.119 4.223 4.340 0.003 0.000 0.202 414 Q C 2.211 178.148 176.000 -0.105 0.000 0.977 414 Q CA 1.539 57.257 55.803 -0.143 0.000 0.850 414 Q CB -0.689 27.967 28.738 -0.136 0.000 0.901 414 Q HN 0.172 nan 8.270 nan 0.000 0.429 415 A N 0.682 123.461 122.820 -0.069 0.000 1.933 415 A HA -0.185 4.136 4.320 0.003 0.000 0.218 415 A C 1.996 179.574 177.584 -0.011 0.000 1.175 415 A CA 1.037 53.059 52.037 -0.025 0.000 0.628 415 A CB -0.538 18.471 19.000 0.014 0.000 0.814 415 A HN 0.280 nan 8.150 nan 0.000 0.444 416 L N -0.033 121.181 121.223 -0.015 0.000 2.012 416 L HA -0.101 4.241 4.340 0.003 0.000 0.210 416 L C 2.592 179.480 176.870 0.031 0.000 1.073 416 L CA 2.163 57.022 54.840 0.032 0.000 0.748 416 L CB -1.183 40.889 42.059 0.023 0.000 0.891 416 L HN 0.370 nan 8.230 nan 0.000 0.431 417 G N -1.771 106.918 108.800 -0.184 0.000 2.402 417 G HA2 -0.194 3.768 3.960 0.003 0.000 0.216 417 G HA3 -0.194 3.768 3.960 0.003 0.000 0.216 417 G C 1.634 176.535 174.900 0.002 0.000 1.162 417 G CA 0.794 45.750 45.100 -0.240 0.000 0.777 417 G HN 0.572 nan 8.290 nan 0.000 0.539 418 A N 0.323 123.128 122.820 -0.026 0.000 1.877 418 A HA -0.115 4.207 4.320 0.003 0.000 0.216 418 A C 2.323 179.922 177.584 0.024 0.000 1.186 418 A CA 2.295 54.329 52.037 -0.004 0.000 0.620 418 A CB -0.532 18.451 19.000 -0.029 0.000 0.822 418 A HN 0.399 nan 8.150 nan 0.000 0.443 419 Q N -0.255 119.565 119.800 0.033 0.000 2.124 419 Q HA -0.027 4.315 4.340 0.003 0.000 0.202 419 Q C 2.009 178.049 176.000 0.067 0.000 0.977 419 Q CA 2.103 57.928 55.803 0.036 0.000 0.850 419 Q CB -0.578 28.183 28.738 0.038 0.000 0.901 419 Q HN 0.571 nan 8.270 nan 0.000 0.429 420 A N -1.070 121.834 122.820 0.139 0.000 1.969 420 A HA -0.121 4.201 4.320 0.003 0.000 0.218 420 A C 2.187 179.836 177.584 0.109 0.000 1.169 420 A CA 1.767 53.891 52.037 0.145 0.000 0.635 420 A CB -0.688 18.478 19.000 0.277 0.000 0.810 420 A HN 0.468 nan 8.150 nan 0.000 0.445 421 T N 0.039 114.666 114.554 0.122 0.000 2.896 421 T HA -0.000 4.352 4.350 0.003 0.000 0.263 421 T C 0.475 175.197 174.700 0.037 0.000 1.050 421 T CA 0.978 63.128 62.100 0.083 0.000 1.140 421 T CB -0.013 68.904 68.868 0.081 0.000 0.877 421 T HN 0.410 nan 8.240 nan 0.000 0.457 422 E N 1.336 121.550 120.200 0.024 0.000 2.916 422 E HA 0.181 4.533 4.350 0.003 0.000 0.217 422 E C -2.032 174.565 176.600 -0.006 0.000 1.100 422 E CA -1.806 54.594 56.400 -0.000 0.000 0.891 422 E CB 1.374 31.064 29.700 -0.016 0.000 1.311 422 E HN 0.279 nan 8.360 nan 0.000 0.421 423 P HA -0.128 nan 4.420 nan 0.000 0.222 423 P C 0.743 178.034 177.300 -0.015 0.000 1.147 423 P CA 1.041 64.139 63.100 -0.004 0.000 0.790 423 P CB 0.569 32.267 31.700 -0.004 0.000 0.780 424 E N -0.783 119.404 120.200 -0.021 0.000 2.474 424 E HA 0.035 4.386 4.350 0.003 0.000 0.194 424 E C 0.887 177.462 176.600 -0.042 0.000 1.041 424 E CA 0.075 56.459 56.400 -0.027 0.000 0.874 424 E CB 0.043 29.728 29.700 -0.024 0.000 0.914 424 E HN 0.213 nan 8.360 nan 0.000 0.498 425 R N 1.250 121.720 120.500 -0.051 0.000 2.486 425 R HA 0.131 4.473 4.340 0.003 0.000 0.286 425 R C -0.076 176.160 176.300 -0.106 0.000 0.999 425 R CA -0.349 55.703 56.100 -0.079 0.000 0.993 425 R CB 0.893 31.147 30.300 -0.076 0.000 1.084 425 R HN -0.116 nan 8.270 nan 0.000 0.487 426 Q N 2.527 122.233 119.800 -0.157 0.000 2.304 426 Q HA 0.292 4.634 4.340 0.003 0.000 0.260 426 Q C -1.243 174.600 176.000 -0.261 0.000 0.965 426 Q CA -0.310 55.364 55.803 -0.214 0.000 0.898 426 Q CB 0.919 29.474 28.738 -0.304 0.000 1.196 426 Q HN 0.388 nan 8.270 nan 0.000 0.402 427 V N 4.834 124.624 119.914 -0.206 0.000 2.487 427 V HA 0.390 4.512 4.120 0.003 0.000 0.298 427 V C -0.695 175.308 176.094 -0.152 0.000 1.028 427 V CA -0.767 61.419 62.300 -0.191 0.000 0.860 427 V CB 1.921 33.689 31.823 -0.090 0.000 0.991 427 V HN 0.592 nan 8.190 nan 0.000 0.427 428 V N 3.985 123.789 119.914 -0.182 0.000 2.407 428 V HA 0.707 4.829 4.120 0.003 0.000 0.291 428 V C 0.354 176.522 176.094 0.122 0.000 1.018 428 V CA -0.600 61.699 62.300 -0.003 0.000 0.842 428 V CB 1.692 33.530 31.823 0.025 0.000 0.996 428 V HN 0.962 nan 8.190 nan 0.000 0.426 429 A N 6.633 129.535 122.820 0.136 0.000 2.252 429 A HA 0.747 5.069 4.320 0.003 0.000 0.309 429 A C -0.059 177.634 177.584 0.181 0.000 1.285 429 A CA -0.427 51.689 52.037 0.133 0.000 0.900 429 A CB 0.193 19.253 19.000 0.099 0.000 1.157 429 A HN 0.848 nan 8.150 nan 0.000 0.536 430 M N 3.108 122.830 119.600 0.203 0.000 2.261 430 M HA 0.205 4.686 4.480 0.003 0.000 0.349 430 M C -0.904 175.473 176.300 0.128 0.000 1.305 430 M CA 0.041 55.495 55.300 0.256 0.000 1.240 430 M CB 0.079 32.814 32.600 0.224 0.000 1.394 430 M HN 0.628 nan 8.290 nan 0.000 0.438 431 C N 1.938 121.336 119.300 0.164 0.000 2.366 431 C HA 0.812 5.274 4.460 0.003 0.000 0.345 431 C C 1.154 176.193 174.990 0.081 0.000 1.209 431 C CA -0.899 58.159 59.018 0.067 0.000 2.050 431 C CB 1.137 28.894 27.740 0.027 0.000 2.359 431 C HN 0.956 nan 8.230 nan 0.000 0.527 432 G N 1.245 110.056 108.800 0.019 0.000 2.504 432 G HA2 0.334 4.296 3.960 0.003 0.000 0.288 432 G HA3 0.334 4.296 3.960 0.003 0.000 0.288 432 G C 0.653 175.545 174.900 -0.014 0.000 1.182 432 G CA -0.083 45.037 45.100 0.033 0.000 0.894 432 G HN 0.838 nan 8.290 nan 0.000 0.521 433 D N 0.116 120.519 120.400 0.005 0.000 2.183 433 D HA -0.078 4.564 4.640 0.003 0.000 0.203 433 D C 2.147 178.495 176.300 0.080 0.000 0.969 433 D CA 1.181 55.159 54.000 -0.035 0.000 0.842 433 D CB -0.787 40.130 40.800 0.196 0.000 0.957 433 D HN 0.471 nan 8.370 nan 0.000 0.484 434 G N 0.841 109.688 108.800 0.079 0.000 2.404 434 G HA2 -0.137 3.825 3.960 0.003 0.000 0.215 434 G HA3 -0.137 3.825 3.960 0.003 0.000 0.215 434 G C 1.760 176.675 174.900 0.025 0.000 1.174 434 G CA 1.038 46.178 45.100 0.065 0.000 0.780 434 G HN 0.465 nan 8.290 nan 0.000 0.537 435 G N 0.381 109.182 108.800 0.001 0.000 2.421 435 G HA2 -0.203 3.759 3.960 0.003 0.000 0.216 435 G HA3 -0.203 3.759 3.960 0.003 0.000 0.216 435 G C 1.650 176.529 174.900 -0.034 0.000 1.171 435 G CA 0.956 46.034 45.100 -0.036 0.000 0.775 435 G HN 0.335 nan 8.290 nan 0.000 0.543 436 F N 2.806 122.649 119.950 -0.177 0.000 2.102 436 F HA -0.153 4.375 4.527 0.003 0.000 0.298 436 F C 3.001 178.719 175.800 -0.136 0.000 1.105 436 F CA 2.079 59.946 58.000 -0.221 0.000 1.239 436 F CB -0.257 38.483 39.000 -0.433 0.000 0.991 436 F HN 0.258 nan 8.300 nan 0.000 0.474 437 S N -0.194 115.487 115.700 -0.032 0.000 2.461 437 S HA -0.201 4.271 4.470 0.003 0.000 0.228 437 S C 2.117 176.672 174.600 -0.075 0.000 1.005 437 S CA 0.832 59.024 58.200 -0.015 0.000 0.942 437 S CB -0.844 62.497 63.200 0.236 0.000 0.776 437 S HN 0.622 nan 8.310 nan 0.000 0.514 438 M N 0.637 120.192 119.600 -0.075 0.000 2.159 438 M HA 0.159 4.641 4.480 0.003 0.000 0.263 438 M C 0.568 176.791 176.300 -0.127 0.000 1.063 438 M CA 1.525 56.778 55.300 -0.078 0.000 1.110 438 M CB -0.050 32.510 32.600 -0.067 0.000 1.374 438 M HN 0.314 nan 8.290 nan 0.000 0.411 439 L N -0.206 120.906 121.223 -0.185 0.000 3.209 439 L HA 0.211 4.553 4.340 0.003 0.000 0.279 439 L C 1.214 177.943 176.870 -0.234 0.000 1.301 439 L CA -0.347 54.377 54.840 -0.193 0.000 1.004 439 L CB 0.201 42.147 42.059 -0.189 0.000 1.402 439 L HN 0.352 nan 8.230 nan 0.000 0.577 440 M N -0.062 119.369 119.600 -0.282 0.000 2.267 440 M HA -0.114 4.368 4.480 0.003 0.000 0.263 440 M C 2.008 178.217 176.300 -0.151 0.000 1.063 440 M CA 1.966 57.018 55.300 -0.413 0.000 1.090 440 M CB 0.005 32.421 32.600 -0.306 0.000 1.392 440 M HN 0.498 nan 8.290 nan 0.000 0.422 441 G N -0.319 108.453 108.800 -0.046 0.000 2.432 441 G HA2 -0.216 3.746 3.960 0.003 0.000 0.219 441 G HA3 -0.216 3.746 3.960 0.003 0.000 0.219 441 G C 1.094 176.034 174.900 0.067 0.000 1.135 441 G CA 0.978 46.103 45.100 0.041 0.000 0.767 441 G HN 0.479 nan 8.290 nan 0.000 0.550 442 D N -0.421 120.004 120.400 0.042 0.000 2.363 442 D HA -0.017 4.625 4.640 0.003 0.000 0.226 442 D C 1.653 178.022 176.300 0.115 0.000 1.020 442 D CA -0.150 53.893 54.000 0.071 0.000 0.892 442 D CB 0.009 40.845 40.800 0.060 0.000 0.900 442 D HN 0.254 nan 8.370 nan 0.000 0.531 443 F N 1.644 121.563 119.950 -0.051 0.000 2.161 443 F HA -0.167 4.362 4.527 0.003 0.000 0.300 443 F C 1.978 177.821 175.800 0.072 0.000 1.089 443 F CA 1.013 59.036 58.000 0.039 0.000 1.282 443 F CB -0.365 38.674 39.000 0.065 0.000 1.010 443 F HN -0.082 nan 8.300 nan 0.000 0.485 444 L N -0.950 120.281 121.223 0.012 0.000 2.265 444 L HA -0.205 4.137 4.340 0.003 0.000 0.215 444 L C 2.385 179.219 176.870 -0.061 0.000 1.117 444 L CA 1.107 55.908 54.840 -0.065 0.000 0.782 444 L CB -0.842 41.231 42.059 0.023 0.000 0.914 444 L HN 0.054 nan 8.230 nan 0.000 0.441 445 S N -0.639 115.055 115.700 -0.009 0.000 2.406 445 S HA -0.100 4.372 4.470 0.003 0.000 0.228 445 S C 2.066 176.661 174.600 -0.009 0.000 1.020 445 S CA 0.716 58.928 58.200 0.019 0.000 0.965 445 S CB -0.005 63.241 63.200 0.077 0.000 0.798 445 S HN 0.165 nan 8.310 nan 0.000 0.488 446 V N 1.485 121.364 119.914 -0.058 0.000 2.332 446 V HA -0.159 3.962 4.120 0.003 0.000 0.248 446 V C 2.254 178.284 176.094 -0.107 0.000 1.055 446 V CA 1.531 63.786 62.300 -0.076 0.000 1.038 446 V CB -0.703 31.044 31.823 -0.127 0.000 0.651 446 V HN 0.341 nan 8.190 nan 0.000 0.450 447 V N -0.569 119.242 119.914 -0.172 0.000 2.283 447 V HA -0.303 3.819 4.120 0.003 0.000 0.243 447 V C 2.381 178.439 176.094 -0.059 0.000 1.039 447 V CA 2.306 64.534 62.300 -0.121 0.000 1.016 447 V CB -0.687 31.053 31.823 -0.139 0.000 0.650 447 V HN 0.574 nan 8.190 nan 0.000 0.449 448 Q N -0.623 119.151 119.800 -0.044 0.000 2.135 448 Q HA -0.215 4.127 4.340 0.003 0.000 0.204 448 Q C 2.059 178.052 176.000 -0.011 0.000 0.981 448 Q CA 1.947 57.741 55.803 -0.016 0.000 0.856 448 Q CB -0.085 28.654 28.738 0.002 0.000 0.902 448 Q HN 0.583 nan 8.270 nan 0.000 0.425 449 M N -0.126 119.469 119.600 -0.009 0.000 2.502 449 M HA 0.064 4.546 4.480 0.003 0.000 0.243 449 M C -0.386 175.909 176.300 -0.009 0.000 1.130 449 M CA 0.353 55.648 55.300 -0.008 0.000 1.055 449 M CB 0.642 33.248 32.600 0.009 0.000 1.457 449 M HN -0.027 nan 8.290 nan 0.000 0.488 450 K N 1.338 121.730 120.400 -0.014 0.000 3.150 450 K HA -0.161 4.161 4.320 0.003 0.000 0.267 450 K C -1.080 175.519 176.600 -0.002 0.000 1.028 450 K CA 0.515 56.794 56.287 -0.012 0.000 0.753 450 K CB -2.506 29.988 32.500 -0.011 0.000 1.288 450 K HN 0.414 nan 8.250 nan 0.000 0.473 451 L N 1.745 122.972 121.223 0.007 0.000 2.265 451 L HA 0.246 4.588 4.340 0.003 0.000 0.289 451 L C -1.328 175.554 176.870 0.021 0.000 1.033 451 L CA -2.013 52.840 54.840 0.022 0.000 0.814 451 L CB 0.890 42.978 42.059 0.049 0.000 1.203 451 L HN -0.088 nan 8.230 nan 0.000 0.423 452 P HA 0.029 nan 4.420 nan 0.000 0.249 452 P C 0.111 177.433 177.300 0.037 0.000 1.686 452 P CA -0.037 63.078 63.100 0.025 0.000 0.873 452 P CB -0.150 31.559 31.700 0.016 0.000 1.828 453 V N 2.090 122.035 119.914 0.051 0.000 2.763 453 V HA -0.030 4.092 4.120 0.003 0.000 0.306 453 V C 1.120 177.275 176.094 0.102 0.000 1.059 453 V CA 0.451 62.792 62.300 0.067 0.000 1.138 453 V CB 0.104 31.982 31.823 0.092 0.000 0.940 453 V HN 0.189 nan 8.190 nan 0.000 0.489 454 K N 5.792 126.256 120.400 0.107 0.000 2.292 454 K HA 0.504 4.826 4.320 0.003 0.000 0.270 454 K C -0.669 176.031 176.600 0.167 0.000 1.062 454 K CA -0.155 56.237 56.287 0.176 0.000 0.916 454 K CB 1.143 33.821 32.500 0.297 0.000 1.166 454 K HN 0.482 nan 8.250 nan 0.000 0.458 455 I N 2.779 123.432 120.570 0.138 0.000 2.315 455 I HA 0.148 4.320 4.170 0.003 0.000 0.291 455 I C -0.205 175.922 176.117 0.016 0.000 1.006 455 I CA -0.935 60.414 61.300 0.081 0.000 1.265 455 I CB 1.332 39.362 38.000 0.051 0.000 1.387 455 I HN 0.065 nan 8.210 nan 0.000 0.475 456 V N 7.673 127.619 119.914 0.053 0.000 2.334 456 V HA 0.276 4.397 4.120 0.003 0.000 0.281 456 V C 0.033 176.128 176.094 0.001 0.000 1.016 456 V CA -0.710 61.593 62.300 0.005 0.000 0.832 456 V CB 1.620 33.490 31.823 0.078 0.000 0.999 456 V HN 0.362 nan 8.190 nan 0.000 0.439 457 V N 5.618 125.441 119.914 -0.152 0.000 2.406 457 V HA 0.348 4.470 4.120 0.003 0.000 0.272 457 V C -0.119 175.946 176.094 -0.048 0.000 1.043 457 V CA -0.316 61.894 62.300 -0.150 0.000 0.915 457 V CB 0.972 32.530 31.823 -0.440 0.000 0.988 457 V HN 0.673 nan 8.190 nan 0.000 0.466 458 F N 4.082 124.004 119.950 -0.047 0.000 2.566 458 F HA 0.243 4.771 4.527 0.003 0.000 0.349 458 F C 1.053 176.872 175.800 0.031 0.000 1.245 458 F CA -0.366 57.651 58.000 0.029 0.000 1.169 458 F CB -0.209 38.862 39.000 0.118 0.000 1.470 458 F HN 0.443 nan 8.300 nan 0.000 0.634 459 N N 3.209 121.972 118.700 0.106 0.000 2.663 459 N HA -0.022 4.720 4.740 0.003 0.000 0.250 459 N C 0.382 175.972 175.510 0.133 0.000 1.129 459 N CA -0.062 53.071 53.050 0.138 0.000 0.995 459 N CB -0.118 38.459 38.487 0.151 0.000 1.324 459 N HN 0.416 nan 8.380 nan 0.000 0.512 460 N N 0.716 119.510 118.700 0.157 0.000 2.235 460 N HA -0.052 4.690 4.740 0.003 0.000 0.209 460 N C 0.068 175.645 175.510 0.111 0.000 1.122 460 N CA 0.115 53.244 53.050 0.132 0.000 0.845 460 N CB -0.356 38.228 38.487 0.161 0.000 1.004 460 N HN 0.268 nan 8.380 nan 0.000 0.499 461 S N -1.949 113.828 115.700 0.129 0.000 3.486 461 S HA -0.218 4.254 4.470 0.003 0.000 0.371 461 S C -0.085 174.571 174.600 0.093 0.000 1.001 461 S CA 0.622 58.892 58.200 0.116 0.000 1.164 461 S CB -2.251 60.989 63.200 0.066 0.000 0.911 461 S HN 0.513 nan 8.310 nan 0.000 0.472 462 V N 0.284 120.259 119.914 0.103 0.000 3.242 462 V HA 0.512 4.634 4.120 0.003 0.000 0.298 462 V C -0.560 175.581 176.094 0.079 0.000 1.352 462 V CA -1.174 61.175 62.300 0.082 0.000 1.052 462 V CB 2.089 33.954 31.823 0.070 0.000 1.101 462 V HN 0.444 nan 8.190 nan 0.000 0.446 463 L N 4.691 125.950 121.223 0.059 0.000 2.423 463 L HA 0.457 4.799 4.340 0.003 0.000 0.249 463 L C 1.110 177.999 176.870 0.031 0.000 1.276 463 L CA 0.199 55.064 54.840 0.041 0.000 1.199 463 L CB -0.032 42.046 42.059 0.030 0.000 1.407 463 L HN 0.807 nan 8.230 nan 0.000 0.410 480 T N -1.406 113.166 114.554 0.029 0.000 3.200 480 T HA 0.369 4.721 4.350 0.003 0.000 0.284 480 T C -0.162 174.562 174.700 0.041 0.000 1.009 480 T CA -0.124 61.996 62.100 0.032 0.000 0.907 480 T CB 0.605 69.489 68.868 0.026 0.000 1.120 480 T HN 0.032 nan 8.240 nan 0.000 0.534 481 E N 2.455 122.681 120.200 0.043 0.000 2.136 481 E HA 0.306 4.658 4.350 0.003 0.000 0.246 481 E C 0.058 176.695 176.600 0.063 0.000 1.017 481 E CA -0.226 56.201 56.400 0.045 0.000 0.883 481 E CB 0.718 30.439 29.700 0.036 0.000 1.199 481 E HN 0.592 nan 8.360 nan 0.000 0.447 482 L N 1.469 122.737 121.223 0.075 0.000 2.482 482 L HA 0.075 4.416 4.340 0.003 0.000 0.273 482 L C 1.119 178.050 176.870 0.103 0.000 1.228 482 L CA 0.196 55.099 54.840 0.106 0.000 0.827 482 L CB 0.183 42.319 42.059 0.127 0.000 1.099 482 L HN 0.387 nan 8.230 nan 0.000 0.494 483 H N 1.361 120.449 119.070 0.029 0.000 2.548 483 H HA 0.016 4.574 4.556 0.003 0.000 0.331 483 H C -0.787 174.535 175.328 -0.010 0.000 1.093 483 H CA -0.637 55.414 56.048 0.006 0.000 1.367 483 H CB 1.389 31.148 29.762 -0.005 0.000 1.455 483 H HN 0.519 nan 8.280 nan 0.000 0.519 484 D N 3.131 123.458 120.400 -0.121 0.000 2.368 484 D HA -0.015 4.627 4.640 0.003 0.000 0.268 484 D C -0.750 175.527 176.300 -0.038 0.000 1.298 484 D CA 0.556 54.520 54.000 -0.060 0.000 0.938 484 D CB 0.237 40.980 40.800 -0.096 0.000 1.101 484 D HN 0.315 nan 8.370 nan 0.000 0.509 485 T N 4.417 118.904 114.554 -0.111 0.000 2.807 485 T HA 0.242 4.594 4.350 0.003 0.000 0.279 485 T C -0.084 174.348 174.700 -0.447 0.000 0.993 485 T CA -0.904 61.004 62.100 -0.320 0.000 0.970 485 T CB 0.904 69.450 68.868 -0.538 0.000 0.950 485 T HN 0.279 nan 8.240 nan 0.000 0.441 486 N N 2.898 121.384 118.700 -0.356 0.000 2.558 486 N HA 0.180 4.922 4.740 0.003 0.000 0.233 486 N C 0.192 175.537 175.510 -0.275 0.000 1.038 486 N CA -0.497 52.411 53.050 -0.237 0.000 0.934 486 N CB 0.057 38.476 38.487 -0.114 0.000 1.175 486 N HN 0.435 nan 8.380 nan 0.000 0.512 487 F N 1.812 121.725 119.950 -0.062 0.000 2.325 487 F HA 0.060 4.589 4.527 0.003 0.000 0.299 487 F C 2.278 178.006 175.800 -0.121 0.000 1.090 487 F CA 0.646 58.577 58.000 -0.115 0.000 1.392 487 F CB -0.268 38.577 39.000 -0.259 0.000 1.053 487 F HN 0.574 nan 8.300 nan 0.000 0.521 488 A N 0.159 123.012 122.820 0.056 0.000 1.902 488 A HA -0.182 4.140 4.320 0.003 0.000 0.217 488 A C 2.402 180.011 177.584 0.042 0.000 1.181 488 A CA 1.392 53.446 52.037 0.028 0.000 0.623 488 A CB -0.622 18.380 19.000 0.004 0.000 0.818 488 A HN 0.243 nan 8.150 nan 0.000 0.443 489 R N -0.656 119.854 120.500 0.018 0.000 2.081 489 R HA -0.057 4.285 4.340 0.003 0.000 0.235 489 R C 1.995 178.329 176.300 0.057 0.000 1.131 489 R CA 1.538 57.652 56.100 0.022 0.000 0.960 489 R CB -0.396 29.899 30.300 -0.009 0.000 0.856 489 R HN 0.615 nan 8.270 nan 0.000 0.436 490 I N 0.251 120.860 120.570 0.065 0.000 2.252 490 I HA -0.255 3.917 4.170 0.003 0.000 0.245 490 I C 2.552 178.805 176.117 0.226 0.000 1.102 490 I CA 1.169 62.544 61.300 0.127 0.000 1.385 490 I CB -0.352 37.733 38.000 0.143 0.000 1.064 490 I HN 0.186 nan 8.210 nan 0.000 0.414 491 A N 0.500 123.459 122.820 0.231 0.000 1.865 491 A HA -0.231 4.091 4.320 0.003 0.000 0.217 491 A C 2.244 179.997 177.584 0.282 0.000 1.191 491 A CA 1.664 53.947 52.037 0.410 0.000 0.623 491 A CB -0.545 18.643 19.000 0.313 0.000 0.826 491 A HN 0.361 nan 8.150 nan 0.000 0.444 492 E N -0.211 120.088 120.200 0.164 0.000 2.118 492 E HA -0.184 4.168 4.350 0.003 0.000 0.195 492 E C 2.268 178.931 176.600 0.104 0.000 0.992 492 E CA 1.273 57.739 56.400 0.109 0.000 0.804 492 E CB -0.499 29.242 29.700 0.068 0.000 0.741 492 E HN 0.606 nan 8.360 nan 0.000 0.458 493 A N 0.361 123.250 122.820 0.116 0.000 2.067 493 A HA -0.129 4.193 4.320 0.003 0.000 0.219 493 A C 2.309 179.959 177.584 0.110 0.000 1.158 493 A CA 0.902 52.997 52.037 0.098 0.000 0.661 493 A CB -0.405 18.650 19.000 0.091 0.000 0.801 493 A HN 0.304 nan 8.150 nan 0.000 0.452 494 C N -1.342 118.054 119.300 0.161 0.000 2.626 494 C HA 0.450 4.912 4.460 0.003 0.000 0.266 494 C C 1.958 176.983 174.990 0.059 0.000 1.317 494 C CA 0.216 59.313 59.018 0.132 0.000 1.716 494 C CB -1.038 26.835 27.740 0.222 0.000 1.819 494 C HN 1.026 nan 8.230 nan 0.000 0.578 495 G N 0.970 109.811 108.800 0.068 0.000 2.141 495 G HA2 -0.235 3.727 3.960 0.003 0.000 0.242 495 G HA3 -0.235 3.727 3.960 0.003 0.000 0.242 495 G C -0.129 174.788 174.900 0.027 0.000 0.982 495 G CA -0.080 45.041 45.100 0.036 0.000 0.662 495 G HN 0.533 nan 8.290 nan 0.000 0.527 496 I N 1.473 122.080 120.570 0.061 0.000 2.460 496 I HA 0.341 4.512 4.170 0.003 0.000 0.298 496 I C 0.922 177.108 176.117 0.114 0.000 0.989 496 I CA -0.815 60.531 61.300 0.075 0.000 1.173 496 I CB 1.627 39.684 38.000 0.095 0.000 1.338 496 I HN 0.015 nan 8.210 nan 0.000 0.456 497 T N 4.324 118.927 114.554 0.082 0.000 2.871 497 T HA 0.231 4.582 4.350 0.003 0.000 0.296 497 T C 0.304 175.053 174.700 0.083 0.000 0.998 497 T CA -0.218 61.922 62.100 0.066 0.000 1.162 497 T CB 0.203 69.095 68.868 0.040 0.000 0.947 497 T HN 0.816 nan 8.240 nan 0.000 0.536 498 G N 2.499 111.336 108.800 0.062 0.000 2.530 498 G HA2 0.653 4.615 3.960 0.003 0.000 0.316 498 G HA3 0.653 4.615 3.960 0.003 0.000 0.316 498 G C -0.775 174.128 174.900 0.005 0.000 1.298 498 G CA -0.757 44.370 45.100 0.044 0.000 0.948 498 G HN 0.748 nan 8.290 nan 0.000 0.486 499 I N 1.644 122.202 120.570 -0.020 0.000 2.418 499 I HA 0.370 4.541 4.170 0.003 0.000 0.287 499 I C -0.047 176.039 176.117 -0.051 0.000 1.008 499 I CA -0.997 60.277 61.300 -0.043 0.000 1.104 499 I CB 2.129 40.088 38.000 -0.070 0.000 1.264 499 I HN 0.333 nan 8.210 nan 0.000 0.438 500 R N 5.935 126.409 120.500 -0.044 0.000 2.221 500 R HA 0.564 4.906 4.340 0.003 0.000 0.327 500 R C -1.555 174.710 176.300 -0.057 0.000 1.033 500 R CA -0.271 55.802 56.100 -0.044 0.000 0.887 500 R CB 0.968 31.249 30.300 -0.032 0.000 1.057 500 R HN 0.449 nan 8.270 nan 0.000 0.455 501 V N 5.594 125.466 119.914 -0.069 0.000 2.409 501 V HA 0.329 4.451 4.120 0.003 0.000 0.291 501 V C 0.262 176.314 176.094 -0.070 0.000 1.020 501 V CA -0.407 61.847 62.300 -0.077 0.000 0.848 501 V CB 1.528 33.289 31.823 -0.103 0.000 0.990 501 V HN 0.959 nan 8.190 nan 0.000 0.430 502 E N 2.315 122.478 120.200 -0.061 0.000 2.474 502 E HA 0.222 4.574 4.350 0.003 0.000 0.215 502 E C -0.056 176.506 176.600 -0.063 0.000 0.867 502 E CA -0.067 56.298 56.400 -0.058 0.000 1.135 502 E CB 1.006 30.676 29.700 -0.049 0.000 1.147 502 E HN 0.556 nan 8.360 nan 0.000 0.534 503 K N 0.479 120.844 120.400 -0.059 0.000 2.182 503 K HA 0.473 4.795 4.320 0.003 0.000 0.262 503 K C 0.431 177.002 176.600 -0.049 0.000 0.957 503 K CA -0.198 56.052 56.287 -0.062 0.000 0.842 503 K CB 1.789 34.256 32.500 -0.055 0.000 1.099 503 K HN -0.077 nan 8.250 nan 0.000 0.438 504 A N 1.569 124.351 122.820 -0.064 0.000 1.978 504 A HA -0.189 4.132 4.320 0.003 0.000 0.220 504 A C 1.989 179.602 177.584 0.048 0.000 1.170 504 A CA 2.249 54.278 52.037 -0.014 0.000 0.636 504 A CB -0.654 18.242 19.000 -0.174 0.000 0.810 504 A HN 0.796 nan 8.150 nan 0.000 0.448 505 S N -0.253 115.439 115.700 -0.014 0.000 2.474 505 S HA -0.113 4.359 4.470 0.003 0.000 0.235 505 S C 1.332 175.936 174.600 0.006 0.000 0.997 505 S CA 1.215 59.417 58.200 0.002 0.000 0.949 505 S CB -0.338 62.846 63.200 -0.026 0.000 0.766 505 S HN 0.710 nan 8.310 nan 0.000 0.517 506 E N 0.659 120.852 120.200 -0.012 0.000 2.442 506 E HA 0.095 4.447 4.350 0.003 0.000 0.195 506 E C 1.699 178.266 176.600 -0.055 0.000 1.030 506 E CA 0.264 56.640 56.400 -0.039 0.000 0.869 506 E CB -0.057 29.611 29.700 -0.052 0.000 0.857 506 E HN 0.364 nan 8.360 nan 0.000 0.505 507 V N 1.954 121.857 119.914 -0.018 0.000 2.261 507 V HA -0.278 3.843 4.120 0.003 0.000 0.246 507 V C 1.672 177.696 176.094 -0.117 0.000 1.047 507 V CA 2.096 64.356 62.300 -0.066 0.000 1.015 507 V CB -0.355 31.447 31.823 -0.034 0.000 0.642 507 V HN 0.206 nan 8.190 nan 0.000 0.446 508 D N -0.018 120.354 120.400 -0.046 0.000 2.106 508 D HA -0.220 4.422 4.640 0.003 0.000 0.191 508 D C 2.159 178.240 176.300 -0.366 0.000 0.997 508 D CA 1.873 55.807 54.000 -0.111 0.000 0.834 508 D CB -0.323 40.531 40.800 0.090 0.000 0.956 508 D HN 0.742 nan 8.370 nan 0.000 0.448 509 E N 0.852 120.915 120.200 -0.228 0.000 2.150 509 E HA -0.066 4.286 4.350 0.003 0.000 0.193 509 E C 1.837 178.278 176.600 -0.265 0.000 0.985 509 E CA 1.493 57.749 56.400 -0.241 0.000 0.814 509 E CB -0.295 29.321 29.700 -0.140 0.000 0.752 509 E HN 0.158 nan 8.360 nan 0.000 0.466 510 A N 1.121 123.798 122.820 -0.238 0.000 1.898 510 A HA -0.059 4.262 4.320 0.003 0.000 0.216 510 A C 2.310 179.680 177.584 -0.357 0.000 1.181 510 A CA 1.423 53.318 52.037 -0.238 0.000 0.620 510 A CB -0.710 18.177 19.000 -0.188 0.000 0.819 510 A HN 0.342 nan 8.150 nan 0.000 0.442 511 L N -0.999 119.945 121.223 -0.465 0.000 2.056 511 L HA -0.228 4.114 4.340 0.003 0.000 0.207 511 L C 2.897 179.214 176.870 -0.922 0.000 1.078 511 L CA 1.474 55.853 54.840 -0.768 0.000 0.749 511 L CB -0.639 41.059 42.059 -0.602 0.000 0.901 511 L HN 0.477 nan 8.230 nan 0.000 0.433 512 Q N -0.348 119.035 119.800 -0.695 0.000 2.084 512 Q HA -0.196 4.145 4.340 0.003 0.000 0.202 512 Q C 2.398 178.233 176.000 -0.275 0.000 0.978 512 Q CA 1.347 56.859 55.803 -0.485 0.000 0.844 512 Q CB -0.071 28.364 28.738 -0.505 0.000 0.898 512 Q HN 0.403 nan 8.270 nan 0.000 0.426 513 R N 0.184 120.527 120.500 -0.262 0.000 2.080 513 R HA -0.149 4.193 4.340 0.003 0.000 0.236 513 R C 2.336 178.563 176.300 -0.122 0.000 1.137 513 R CA 1.282 57.290 56.100 -0.154 0.000 0.943 513 R CB -0.445 29.771 30.300 -0.139 0.000 0.846 513 R HN 0.227 nan 8.270 nan 0.000 0.431 514 A N 0.801 123.499 122.820 -0.204 0.000 1.908 514 A HA -0.183 4.139 4.320 0.003 0.000 0.218 514 A C 1.874 179.509 177.584 0.084 0.000 1.181 514 A CA 1.456 53.425 52.037 -0.113 0.000 0.627 514 A CB -0.610 18.259 19.000 -0.219 0.000 0.818 514 A HN 0.222 nan 8.150 nan 0.000 0.445 515 F N 0.699 120.627 119.950 -0.037 0.000 2.259 515 F HA -0.030 4.498 4.527 0.003 0.000 0.298 515 F C 2.677 178.463 175.800 -0.025 0.000 1.088 515 F CA 0.832 58.818 58.000 -0.023 0.000 1.358 515 F CB -1.069 37.924 39.000 -0.012 0.000 1.040 515 F HN 0.158 nan 8.300 nan 0.000 0.505 516 S N -0.116 115.667 115.700 0.137 0.000 2.414 516 S HA 0.049 4.521 4.470 0.003 0.000 0.227 516 S C 1.032 175.660 174.600 0.046 0.000 1.022 516 S CA 0.049 58.289 58.200 0.068 0.000 0.958 516 S CB -0.304 62.910 63.200 0.024 0.000 0.797 516 S HN 0.090 nan 8.310 nan 0.000 0.493 517 I N 3.065 123.659 120.570 0.041 0.000 2.752 517 I HA -0.072 4.100 4.170 0.003 0.000 0.289 517 I C 0.391 176.529 176.117 0.034 0.000 1.197 517 I CA 0.075 61.392 61.300 0.029 0.000 1.432 517 I CB 0.273 38.288 38.000 0.024 0.000 1.359 517 I HN 0.012 nan 8.210 nan 0.000 0.571 518 D N 6.092 126.506 120.400 0.022 0.000 2.671 518 D HA 0.379 5.020 4.640 0.003 0.000 0.228 518 D C 0.119 176.429 176.300 0.017 0.000 1.102 518 D CA 0.461 54.471 54.000 0.017 0.000 1.044 518 D CB -0.275 40.531 40.800 0.010 0.000 1.113 518 D HN 0.717 nan 8.370 nan 0.000 0.480 519 G N 1.395 110.210 108.800 0.025 0.000 2.313 519 G HA2 0.206 4.168 3.960 0.003 0.000 0.296 519 G HA3 0.206 4.168 3.960 0.003 0.000 0.296 519 G C -3.158 171.765 174.900 0.038 0.000 1.356 519 G CA -1.001 44.113 45.100 0.023 0.000 0.833 519 G HN 0.028 nan 8.290 nan 0.000 0.552 520 P HA 0.565 nan 4.420 nan 0.000 0.274 520 P C -0.670 176.681 177.300 0.085 0.000 1.231 520 P CA -0.308 62.829 63.100 0.061 0.000 0.790 520 P CB 1.827 33.547 31.700 0.033 0.000 0.951 521 V N 2.859 122.845 119.914 0.119 0.000 2.932 521 V HA 0.359 4.481 4.120 0.003 0.000 0.307 521 V C -0.268 175.904 176.094 0.129 0.000 1.147 521 V CA -0.749 61.618 62.300 0.111 0.000 0.951 521 V CB 2.273 34.139 31.823 0.072 0.000 1.031 521 V HN 0.454 nan 8.190 nan 0.000 0.426 522 L N 4.487 125.778 121.223 0.113 0.000 2.305 522 L HA 0.744 5.086 4.340 0.003 0.000 0.284 522 L C -0.988 175.856 176.870 -0.043 0.000 1.013 522 L CA -0.447 54.404 54.840 0.019 0.000 0.819 522 L CB 1.592 43.632 42.059 -0.033 0.000 1.227 522 L HN 0.525 nan 8.230 nan 0.000 0.417 523 V N 3.723 123.588 119.914 -0.082 0.000 2.328 523 V HA 0.262 4.384 4.120 0.003 0.000 0.278 523 V C -0.497 175.514 176.094 -0.139 0.000 1.021 523 V CA -0.520 61.715 62.300 -0.108 0.000 0.838 523 V CB 1.258 33.002 31.823 -0.131 0.000 0.999 523 V HN 0.653 nan 8.190 nan 0.000 0.447 524 D N 4.821 125.156 120.400 -0.108 0.000 2.443 524 D HA 0.340 4.982 4.640 0.003 0.000 0.221 524 D C -0.536 175.715 176.300 -0.083 0.000 1.097 524 D CA -0.096 53.857 54.000 -0.078 0.000 0.865 524 D CB 1.331 42.136 40.800 0.007 0.000 1.034 524 D HN 0.280 nan 8.370 nan 0.000 0.511 525 V N 4.528 124.363 119.914 -0.132 0.000 2.328 525 V HA 0.222 4.344 4.120 0.003 0.000 0.278 525 V C 0.482 176.515 176.094 -0.103 0.000 1.021 525 V CA -1.029 61.178 62.300 -0.154 0.000 0.838 525 V CB 1.522 33.180 31.823 -0.276 0.000 0.999 525 V HN 0.290 nan 8.190 nan 0.000 0.447 526 V N 6.881 126.758 119.914 -0.062 0.000 2.446 526 V HA 0.189 4.311 4.120 0.003 0.000 0.276 526 V C 0.349 176.417 176.094 -0.043 0.000 1.030 526 V CA 0.163 62.446 62.300 -0.028 0.000 1.033 526 V CB 0.936 32.743 31.823 -0.025 0.000 0.993 526 V HN 0.760 nan 8.190 nan 0.000 0.477 527 V N 3.010 122.920 119.914 -0.007 0.000 2.919 527 V HA 1.008 5.130 4.120 0.003 0.000 0.316 527 V C 0.281 176.401 176.094 0.043 0.000 1.077 527 V CA -0.813 61.488 62.300 0.002 0.000 0.977 527 V CB 1.706 33.551 31.823 0.038 0.000 1.039 527 V HN 0.876 nan 8.190 nan 0.000 0.441 528 A N 2.562 125.407 122.820 0.041 0.000 2.296 528 A HA 0.546 4.868 4.320 0.003 0.000 0.264 528 A C 0.397 178.058 177.584 0.129 0.000 1.097 528 A CA -0.684 51.396 52.037 0.071 0.000 0.811 528 A CB 0.180 19.224 19.000 0.073 0.000 1.072 528 A HN 0.888 nan 8.150 nan 0.000 0.495 529 K N 1.538 122.009 120.400 0.118 0.000 2.298 529 K HA 0.355 4.677 4.320 0.003 0.000 0.280 529 K C -0.576 176.117 176.600 0.155 0.000 1.032 529 K CA -0.013 56.357 56.287 0.139 0.000 0.958 529 K CB 0.707 33.266 32.500 0.098 0.000 0.978 529 K HN 0.629 nan 8.250 nan 0.000 0.472 530 E N 1.902 122.227 120.200 0.208 0.000 2.343 530 E HA 0.221 4.573 4.350 0.003 0.000 0.270 530 E C -0.702 176.019 176.600 0.203 0.000 0.895 530 E CA -0.876 55.655 56.400 0.219 0.000 0.767 530 E CB 2.108 32.006 29.700 0.331 0.000 1.248 530 E HN 0.403 nan 8.360 nan 0.000 0.440 531 E N 0.912 121.201 120.200 0.149 0.000 2.392 531 E HA 0.137 4.489 4.350 0.003 0.000 0.256 531 E C 0.869 177.556 176.600 0.145 0.000 1.145 531 E CA 0.107 56.573 56.400 0.111 0.000 0.929 531 E CB 0.591 30.331 29.700 0.067 0.000 0.998 531 E HN 0.365 nan 8.360 nan 0.000 0.442 532 L N 0.551 121.814 121.223 0.067 0.000 2.286 532 L HA 0.291 4.633 4.340 0.003 0.000 0.203 532 L C 0.907 177.803 176.870 0.043 0.000 1.068 532 L CA 0.181 55.045 54.840 0.041 0.000 0.811 532 L CB -0.281 41.755 42.059 -0.039 0.000 0.989 532 L HN 0.457 nan 8.230 nan 0.000 0.467 533 A N 0.826 123.657 122.820 0.019 0.000 2.466 533 A HA 0.382 4.704 4.320 0.003 0.000 0.238 533 A C -0.420 177.179 177.584 0.026 0.000 1.074 533 A CA 0.181 52.222 52.037 0.006 0.000 0.774 533 A CB 0.004 18.998 19.000 -0.010 0.000 1.015 533 A HN 0.164 nan 8.150 nan 0.000 0.498 534 I N 2.004 122.585 120.570 0.019 0.000 2.465 534 I HA 0.386 4.558 4.170 0.003 0.000 0.291 534 I C -1.523 174.602 176.117 0.013 0.000 1.014 534 I CA -1.257 60.054 61.300 0.019 0.000 1.093 534 I CB 1.199 39.209 38.000 0.017 0.000 1.267 534 I HN 0.639 nan 8.210 nan 0.000 0.431 535 P HA 0.000 nan 4.420 nan 0.000 0.216 535 P CA 0.000 63.105 63.100 0.007 0.000 0.800 535 P CB 0.000 31.698 31.700 -0.003 0.000 0.726