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 1rjo_1_A DATA FIRST_RESID 9 DATA SEQUENCE ASPFRLASAG EISEVQGILR TAGLLGPEKR IAYLGVLDPA RGAGSEAEDR DATA SEQUENCE RFRVFIHDVS GARPQEVTVS VTNGTVISAV ELDTAATGEL PVLEEEFEVV DATA SEQUENCE EQLLATDERW LKALAARNLD VSKVRVAPLS AGVFEYAEER GRRILRGLAF DATA SEQUENCE VQDFPEDSAW AHPVDGLVAY VDVVSKEVTR VIDTGVFPVP AEHGNYTDPE DATA SEQUENCE LTGPLRTTQK PISITQPEGP SFTVTGGNHI EWEKWSLDVG FDVREGVVLH DATA SEQUENCE NIAFRDGDRL RPIINRASIA EMVVPYGDPS PIRSWQNYFD TGEYLVGQYA DATA SEQUENCE NSLELGCDcL GDITYLSPVI SDAFGNPREI RNGIcMHEED WGILAKHSDL DATA SEQUENCE WSGINYTRRN RRMVISFFTT IGNXDYGFYW YLYLDGTIEF EAKATGVVFT DATA SEQUENCE SAFPEGGSDN ISQLAPGLGA PFHQHIFSAR LDMAIDGFTN RVEEEDVVRQ DATA SEQUENCE TMGPGNERGN AFSRKRTVLT RESEAVREAD ARTGRTWIIS NPESKNRLNE DATA SEQUENCE PVGYKLHAHN QPTLLADPGS SIARRAAFAT KDLWVTRYAD DERYPTGDFV DATA SEQUENCE NQHSGGAGLP SYIAQDRDID GQDIVVWHTF GLTHFPRVED WPIMPVDTVG DATA SEQUENCE FKLRPEGFFD RSPVLDVPAN 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.581 177.584 -0.005 0.000 1.274 9 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 9 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 10 S N 2.371 118.076 115.700 0.008 0.000 2.516 10 S HA 0.359 4.808 4.470 -0.036 0.000 0.282 10 S C -0.879 173.715 174.600 -0.011 0.000 1.286 10 S CA -0.379 57.840 58.200 0.031 0.000 1.066 10 S CB 0.831 64.076 63.200 0.076 0.000 0.884 10 S HN 0.300 nan 8.310 nan 0.000 0.491 11 P HA 0.018 nan 4.420 nan 0.000 0.234 11 P C 0.310 177.323 177.300 -0.478 0.000 1.167 11 P CA 0.785 63.715 63.100 -0.284 0.000 0.763 11 P CB -0.104 31.363 31.700 -0.388 0.000 0.835 12 F N 0.550 120.425 119.950 -0.126 0.000 2.660 12 F HA 0.185 4.691 4.527 -0.036 0.000 0.302 12 F C 1.554 177.278 175.800 -0.127 0.000 1.103 12 F CA -0.731 57.144 58.000 -0.207 0.000 1.340 12 F CB -0.274 38.583 39.000 -0.238 0.000 1.048 12 F HN -0.155 nan 8.300 nan 0.000 0.551 13 R N 0.802 121.328 120.500 0.044 0.000 2.734 13 R HA 0.221 4.540 4.340 -0.036 0.000 0.266 13 R C -0.118 176.203 176.300 0.035 0.000 1.044 13 R CA -0.499 55.633 56.100 0.053 0.000 1.128 13 R CB 0.405 30.730 30.300 0.041 0.000 1.010 13 R HN 0.150 nan 8.270 nan 0.000 0.461 14 L N 1.718 122.976 121.223 0.059 0.000 2.506 14 L HA 0.054 4.372 4.340 -0.036 0.000 0.281 14 L C 0.806 177.718 176.870 0.070 0.000 1.228 14 L CA 0.011 54.890 54.840 0.064 0.000 0.850 14 L CB 0.263 42.360 42.059 0.063 0.000 1.110 14 L HN 0.854 nan 8.230 nan 0.000 0.496 15 A N 2.663 125.542 122.820 0.098 0.000 2.511 15 A HA 0.327 4.625 4.320 -0.036 0.000 0.242 15 A C 0.413 178.064 177.584 0.113 0.000 1.069 15 A CA -0.097 52.048 52.037 0.180 0.000 0.763 15 A CB 0.055 19.228 19.000 0.289 0.000 1.001 15 A HN 0.759 nan 8.150 nan 0.000 0.498 16 S N 1.674 117.431 115.700 0.094 0.000 2.687 16 S HA 0.612 5.060 4.470 -0.036 0.000 0.283 16 S C 1.210 175.816 174.600 0.011 0.000 1.170 16 S CA -0.194 58.030 58.200 0.041 0.000 1.008 16 S CB 1.525 64.743 63.200 0.030 0.000 1.026 16 S HN 1.607 nan 8.310 nan 0.000 0.541 17 A N 1.795 124.612 122.820 -0.004 0.000 1.940 17 A HA 0.079 4.377 4.320 -0.036 0.000 0.219 17 A C 2.130 179.689 177.584 -0.041 0.000 1.176 17 A CA 1.944 53.969 52.037 -0.021 0.000 0.631 17 A CB -1.810 17.180 19.000 -0.017 0.000 0.814 17 A HN 1.192 nan 8.150 nan 0.000 0.446 18 G N -0.760 108.020 108.800 -0.034 0.000 2.422 18 G HA2 -0.196 3.743 3.960 -0.036 0.000 0.218 18 G HA3 -0.196 3.743 3.960 -0.036 0.000 0.218 18 G C 1.434 176.285 174.900 -0.082 0.000 1.146 18 G CA 0.937 46.010 45.100 -0.046 0.000 0.769 18 G HN 0.657 nan 8.290 nan 0.000 0.547 19 E N -0.112 120.035 120.200 -0.088 0.000 2.077 19 E HA -0.069 4.260 4.350 -0.036 0.000 0.193 19 E C 2.487 178.864 176.600 -0.372 0.000 0.989 19 E CA 0.604 56.890 56.400 -0.190 0.000 0.800 19 E CB -0.117 29.531 29.700 -0.087 0.000 0.746 19 E HN 0.499 nan 8.360 nan 0.000 0.452 20 I N 0.564 120.968 120.570 -0.277 0.000 2.202 20 I HA -0.231 3.918 4.170 -0.036 0.000 0.242 20 I C 2.414 178.412 176.117 -0.198 0.000 1.091 20 I CA 0.696 61.827 61.300 -0.282 0.000 1.368 20 I CB -0.125 37.789 38.000 -0.144 0.000 1.058 20 I HN -0.032 nan 8.210 nan 0.000 0.410 21 S N 0.152 115.774 115.700 -0.130 0.000 2.383 21 S HA -0.249 4.199 4.470 -0.036 0.000 0.229 21 S C 1.924 176.462 174.600 -0.104 0.000 1.030 21 S CA 1.591 59.737 58.200 -0.091 0.000 1.002 21 S CB -0.244 62.918 63.200 -0.063 0.000 0.829 21 S HN 0.382 nan 8.310 nan 0.000 0.467 22 E N 0.912 121.031 120.200 -0.136 0.000 2.107 22 E HA -0.044 4.284 4.350 -0.036 0.000 0.191 22 E C 1.904 178.415 176.600 -0.147 0.000 0.982 22 E CA 0.681 57.006 56.400 -0.125 0.000 0.809 22 E CB -0.239 29.389 29.700 -0.121 0.000 0.756 22 E HN 0.248 nan 8.360 nan 0.000 0.459 23 V N 0.941 120.713 119.914 -0.237 0.000 2.287 23 V HA -0.298 3.800 4.120 -0.036 0.000 0.248 23 V C 2.557 178.579 176.094 -0.121 0.000 1.053 23 V CA 2.250 64.417 62.300 -0.222 0.000 1.027 23 V CB -0.647 30.957 31.823 -0.364 0.000 0.646 23 V HN 0.407 nan 8.190 nan 0.000 0.447 24 Q N 0.114 119.849 119.800 -0.109 0.000 2.077 24 Q HA -0.209 4.109 4.340 -0.036 0.000 0.206 24 Q C 2.236 178.214 176.000 -0.036 0.000 0.989 24 Q CA 2.242 58.013 55.803 -0.053 0.000 0.853 24 Q CB -0.493 28.221 28.738 -0.039 0.000 0.907 24 Q HN 0.663 nan 8.270 nan 0.000 0.418 25 G N 0.561 109.333 108.800 -0.047 0.000 2.408 25 G HA2 -0.194 3.745 3.960 -0.036 0.000 0.217 25 G HA3 -0.194 3.745 3.960 -0.036 0.000 0.217 25 G C 1.373 176.256 174.900 -0.028 0.000 1.150 25 G CA 0.734 45.814 45.100 -0.033 0.000 0.776 25 G HN 0.356 nan 8.290 nan 0.000 0.542 26 I N 0.323 120.871 120.570 -0.037 0.000 2.252 26 I HA -0.090 4.059 4.170 -0.036 0.000 0.245 26 I C 2.655 178.764 176.117 -0.012 0.000 1.102 26 I CA 0.620 61.905 61.300 -0.025 0.000 1.385 26 I CB -0.144 37.838 38.000 -0.031 0.000 1.064 26 I HN 0.109 nan 8.210 nan 0.000 0.414 27 L N 0.004 121.219 121.223 -0.013 0.000 2.056 27 L HA -0.184 4.134 4.340 -0.036 0.000 0.207 27 L C 2.762 179.636 176.870 0.006 0.000 1.078 27 L CA 1.348 56.189 54.840 0.002 0.000 0.749 27 L CB -0.553 41.510 42.059 0.006 0.000 0.901 27 L HN 0.150 nan 8.230 nan 0.000 0.433 28 R N -0.624 119.877 120.500 0.002 0.000 2.073 28 R HA -0.133 4.186 4.340 -0.036 0.000 0.234 28 R C 2.305 178.607 176.300 0.003 0.000 1.134 28 R CA 1.949 58.053 56.100 0.005 0.000 0.952 28 R CB -0.598 29.704 30.300 0.003 0.000 0.850 28 R HN 0.280 nan 8.270 nan 0.000 0.433 29 T N 0.537 115.090 114.554 -0.002 0.000 2.833 29 T HA -0.120 4.209 4.350 -0.036 0.000 0.269 29 T C 1.647 176.347 174.700 0.001 0.000 1.054 29 T CA 1.402 63.500 62.100 -0.002 0.000 1.135 29 T CB -0.100 68.764 68.868 -0.006 0.000 0.869 29 T HN 0.364 nan 8.240 nan 0.000 0.466 30 A N 0.156 122.978 122.820 0.003 0.000 2.238 30 A HA 0.509 4.808 4.320 -0.036 0.000 0.208 30 A C 1.882 179.470 177.584 0.007 0.000 1.177 30 A CA 0.825 52.865 52.037 0.006 0.000 0.804 30 A CB -0.639 18.367 19.000 0.009 0.000 0.823 30 A HN 0.711 nan 8.150 nan 0.000 0.482 31 G N -1.273 107.531 108.800 0.007 0.000 2.136 31 G HA2 -0.226 3.712 3.960 -0.036 0.000 0.242 31 G HA3 -0.226 3.712 3.960 -0.036 0.000 0.242 31 G C 0.537 175.443 174.900 0.010 0.000 0.989 31 G CA 0.443 45.548 45.100 0.008 0.000 0.682 31 G HN 0.507 nan 8.290 nan 0.000 0.522 32 L N -1.215 120.016 121.223 0.014 0.000 2.640 32 L HA 0.496 4.814 4.340 -0.036 0.000 0.230 32 L C 1.086 177.970 176.870 0.023 0.000 1.123 32 L CA 0.130 54.981 54.840 0.019 0.000 0.900 32 L CB 0.585 42.659 42.059 0.026 0.000 1.146 32 L HN 0.180 nan 8.230 nan 0.000 0.484 33 L N 0.483 121.721 121.223 0.024 0.000 2.725 33 L HA 0.489 4.807 4.340 -0.036 0.000 0.270 33 L C 0.636 177.530 176.870 0.039 0.000 1.422 33 L CA -0.161 54.700 54.840 0.034 0.000 0.770 33 L CB 0.517 42.598 42.059 0.035 0.000 1.081 33 L HN -0.045 nan 8.230 nan 0.000 0.527 34 G N 0.325 109.143 108.800 0.031 0.000 2.611 34 G HA2 0.304 4.243 3.960 -0.036 0.000 0.273 34 G HA3 0.304 4.243 3.960 -0.036 0.000 0.273 34 G C -1.532 173.400 174.900 0.053 0.000 1.305 34 G CA -0.463 44.657 45.100 0.033 0.000 1.010 34 G HN 0.337 nan 8.290 nan 0.000 0.509 35 P HA -0.042 nan 4.420 nan 0.000 0.222 35 P C 0.969 178.324 177.300 0.091 0.000 1.147 35 P CA 0.965 64.112 63.100 0.078 0.000 0.790 35 P CB 0.330 32.059 31.700 0.048 0.000 0.780 36 E N -0.476 119.753 120.200 0.048 0.000 2.489 36 E HA 0.053 4.382 4.350 -0.036 0.000 0.193 36 E C 0.443 177.038 176.600 -0.007 0.000 1.057 36 E CA 0.418 56.831 56.400 0.022 0.000 0.866 36 E CB 0.068 29.762 29.700 -0.010 0.000 0.916 36 E HN 0.318 nan 8.360 nan 0.000 0.500 37 K N 1.505 121.915 120.400 0.017 0.000 2.118 37 K HA 0.354 4.652 4.320 -0.036 0.000 0.267 37 K C 0.403 177.000 176.600 -0.006 0.000 0.991 37 K CA -0.447 55.838 56.287 -0.003 0.000 0.916 37 K CB 1.503 34.013 32.500 0.017 0.000 1.041 37 K HN -0.160 nan 8.250 nan 0.000 0.455 38 R N 1.839 122.331 120.500 -0.013 0.000 2.621 38 R HA 0.429 4.748 4.340 -0.036 0.000 0.284 38 R C -0.216 176.092 176.300 0.014 0.000 0.998 38 R CA -0.909 55.152 56.100 -0.066 0.000 0.895 38 R CB 1.165 31.436 30.300 -0.049 0.000 1.195 38 R HN 0.525 nan 8.270 nan 0.000 0.450 39 I N 2.113 122.665 120.570 -0.031 0.000 2.322 39 I HA 0.107 4.256 4.170 -0.036 0.000 0.292 39 I C 1.337 177.476 176.117 0.037 0.000 1.060 39 I CA 0.236 61.550 61.300 0.023 0.000 1.309 39 I CB 1.511 39.503 38.000 -0.015 0.000 1.415 39 I HN 0.751 nan 8.210 nan 0.000 0.492 40 A N 6.378 129.279 122.820 0.135 0.000 2.081 40 A HA 0.062 4.361 4.320 -0.036 0.000 0.214 40 A C 0.307 178.018 177.584 0.212 0.000 1.158 40 A CA 0.819 52.954 52.037 0.162 0.000 0.724 40 A CB 0.127 19.259 19.000 0.221 0.000 0.826 40 A HN 0.650 nan 8.150 nan 0.000 0.463 41 Y N -1.864 118.456 120.300 0.033 0.000 2.482 41 Y HA 0.583 5.112 4.550 -0.036 0.000 0.334 41 Y C -1.740 174.050 175.900 -0.184 0.000 1.091 41 Y CA -1.209 56.802 58.100 -0.149 0.000 1.027 41 Y CB 1.338 39.550 38.460 -0.413 0.000 1.306 41 Y HN 0.139 nan 8.280 nan 0.000 0.446 42 L N 5.309 125.873 121.223 -1.097 0.000 2.505 42 L HA 0.969 5.288 4.340 -0.036 0.000 0.266 42 L C -1.223 175.094 176.870 -0.921 0.000 0.954 42 L CA -0.225 54.145 54.840 -0.785 0.000 0.852 42 L CB 2.077 43.967 42.059 -0.282 0.000 1.282 42 L HN 0.925 nan 8.230 nan 0.000 0.403 43 G N 2.800 111.237 108.800 -0.604 0.000 2.720 43 G HA2 0.475 4.414 3.960 -0.036 0.000 0.295 43 G HA3 0.475 4.414 3.960 -0.036 0.000 0.295 43 G C -1.856 172.875 174.900 -0.281 0.000 1.437 43 G CA -0.598 44.314 45.100 -0.314 0.000 0.886 43 G HN 0.486 nan 8.290 nan 0.000 0.509 44 V N 1.390 120.993 119.914 -0.520 0.000 2.715 44 V HA 0.458 4.556 4.120 -0.036 0.000 0.299 44 V C 0.287 176.135 176.094 -0.410 0.000 1.054 44 V CA -0.315 61.437 62.300 -0.913 0.000 1.077 44 V CB 0.704 31.990 31.823 -0.895 0.000 0.972 44 V HN 0.544 nan 8.190 nan 0.000 0.484 45 L N 5.439 126.443 121.223 -0.365 0.000 2.350 45 L HA 0.437 4.756 4.340 -0.036 0.000 0.275 45 L C 0.040 176.787 176.870 -0.206 0.000 1.099 45 L CA -0.728 53.999 54.840 -0.188 0.000 0.808 45 L CB 0.947 42.932 42.059 -0.124 0.000 1.149 45 L HN 0.589 nan 8.230 nan 0.000 0.442 46 D N 2.369 122.696 120.400 -0.122 0.000 2.362 46 D HA 0.205 4.823 4.640 -0.036 0.000 0.242 46 D C -2.055 174.136 176.300 -0.182 0.000 1.132 46 D CA -0.921 52.992 54.000 -0.145 0.000 0.907 46 D CB 0.270 41.101 40.800 0.052 0.000 1.195 46 D HN 0.242 nan 8.370 nan 0.000 0.429 47 P HA 0.176 nan 4.420 nan 0.000 0.267 47 P C -0.675 176.569 177.300 -0.093 0.000 1.200 47 P CA -0.257 62.702 63.100 -0.236 0.000 0.772 47 P CB 0.418 31.899 31.700 -0.364 0.000 0.855 48 A N 3.453 126.234 122.820 -0.065 0.000 2.406 48 A HA 0.182 4.480 4.320 -0.036 0.000 0.243 48 A C 0.505 178.067 177.584 -0.037 0.000 1.082 48 A CA -0.301 51.720 52.037 -0.027 0.000 0.786 48 A CB 0.043 19.029 19.000 -0.023 0.000 1.029 48 A HN 0.393 nan 8.150 nan 0.000 0.495 49 R N 0.506 120.970 120.500 -0.061 0.000 2.538 49 R HA 0.330 4.648 4.340 -0.036 0.000 0.282 49 R C 1.173 177.433 176.300 -0.066 0.000 1.009 49 R CA 1.383 57.406 56.100 -0.127 0.000 1.063 49 R CB -0.883 29.282 30.300 -0.225 0.000 0.945 49 R HN 1.752 nan 8.270 nan 0.000 0.414 50 G N 1.850 110.627 108.800 -0.040 0.000 2.553 50 G HA2 -0.120 3.818 3.960 -0.036 0.000 0.242 50 G HA3 -0.120 3.818 3.960 -0.036 0.000 0.242 50 G C 0.283 175.180 174.900 -0.004 0.000 1.277 50 G CA 0.384 45.479 45.100 -0.009 0.000 0.910 50 G HN 1.342 nan 8.290 nan 0.000 0.576 51 A N -2.280 120.536 122.820 -0.007 0.000 2.829 51 A HA 0.052 4.350 4.320 -0.036 0.000 0.267 51 A C 2.769 180.347 177.584 -0.011 0.000 1.370 51 A CA 2.567 54.596 52.037 -0.014 0.000 0.900 51 A CB -1.618 17.366 19.000 -0.028 0.000 1.044 51 A HN 2.754 nan 8.150 nan 0.000 0.691 52 G N -1.455 107.351 108.800 0.010 0.000 2.396 52 G HA2 0.096 4.035 3.960 -0.036 0.000 0.214 52 G HA3 0.096 4.035 3.960 -0.036 0.000 0.214 52 G C 1.582 176.489 174.900 0.012 0.000 1.166 52 G CA 1.560 46.673 45.100 0.021 0.000 0.793 52 G HN 1.112 nan 8.290 nan 0.000 0.533 53 S N -0.095 115.612 115.700 0.011 0.000 2.428 53 S HA 0.054 4.502 4.470 -0.036 0.000 0.230 53 S C 1.088 175.687 174.600 -0.000 0.000 1.014 53 S CA 0.273 58.477 58.200 0.007 0.000 0.957 53 S CB -0.192 63.013 63.200 0.008 0.000 0.784 53 S HN 0.374 nan 8.310 nan 0.000 0.499 54 E N 1.193 121.390 120.200 -0.005 0.000 2.371 54 E HA 0.402 4.731 4.350 -0.036 0.000 0.257 54 E C 0.172 176.763 176.600 -0.015 0.000 1.134 54 E CA -0.048 56.346 56.400 -0.010 0.000 0.919 54 E CB 0.880 30.572 29.700 -0.013 0.000 1.025 54 E HN 0.398 nan 8.360 nan 0.000 0.438 55 A N 1.688 124.499 122.820 -0.016 0.000 2.425 55 A HA 0.073 4.371 4.320 -0.036 0.000 0.242 55 A C 0.278 177.844 177.584 -0.030 0.000 1.077 55 A CA -0.214 51.812 52.037 -0.019 0.000 0.781 55 A CB -0.097 18.894 19.000 -0.014 0.000 1.020 55 A HN 0.614 nan 8.150 nan 0.000 0.494 56 E N 0.558 120.737 120.200 -0.036 0.000 2.366 56 E HA 0.406 4.734 4.350 -0.036 0.000 0.266 56 E C -1.033 175.540 176.600 -0.045 0.000 1.051 56 E CA -0.407 55.960 56.400 -0.054 0.000 0.884 56 E CB 0.922 30.584 29.700 -0.064 0.000 1.006 56 E HN 0.374 nan 8.360 nan 0.000 0.417 57 D N 2.258 122.624 120.400 -0.057 0.000 2.421 57 D HA 0.145 4.763 4.640 -0.036 0.000 0.254 57 D C -0.998 175.271 176.300 -0.051 0.000 1.238 57 D CA -0.732 53.245 54.000 -0.038 0.000 0.919 57 D CB 0.568 41.350 40.800 -0.031 0.000 1.152 57 D HN 0.290 nan 8.370 nan 0.000 0.552 58 R N 3.334 123.822 120.500 -0.021 0.000 2.296 58 R HA 0.334 4.653 4.340 -0.036 0.000 0.323 58 R C 0.231 176.571 176.300 0.066 0.000 1.067 58 R CA -0.099 55.996 56.100 -0.008 0.000 0.946 58 R CB 0.590 30.936 30.300 0.077 0.000 0.991 58 R HN 0.359 nan 8.270 nan 0.000 0.448 59 R N 2.468 122.953 120.500 -0.025 0.000 2.637 59 R HA 0.466 4.785 4.340 -0.036 0.000 0.291 59 R C -0.749 175.521 176.300 -0.050 0.000 0.963 59 R CA -0.638 55.488 56.100 0.044 0.000 0.901 59 R CB 1.452 31.747 30.300 -0.009 0.000 1.160 59 R HN 0.258 nan 8.270 nan 0.000 0.457 60 F N 0.902 120.833 119.950 -0.031 0.000 2.532 60 F HA 0.470 4.975 4.527 -0.036 0.000 0.321 60 F C 0.429 176.222 175.800 -0.011 0.000 1.089 60 F CA -0.769 57.208 58.000 -0.038 0.000 0.926 60 F CB 1.728 40.694 39.000 -0.057 0.000 1.168 60 F HN 0.142 nan 8.300 nan 0.000 0.459 61 R N 2.341 122.918 120.500 0.128 0.000 2.393 61 R HA 0.814 5.133 4.340 -0.036 0.000 0.310 61 R C -1.902 174.460 176.300 0.103 0.000 0.968 61 R CA -0.490 55.693 56.100 0.138 0.000 0.867 61 R CB 1.449 31.838 30.300 0.148 0.000 1.124 61 R HN 0.559 nan 8.270 nan 0.000 0.450 62 V N 4.953 124.959 119.914 0.154 0.000 2.638 62 V HA 0.470 4.569 4.120 -0.036 0.000 0.306 62 V C -1.053 175.272 176.094 0.385 0.000 1.052 62 V CA -0.873 61.509 62.300 0.138 0.000 0.885 62 V CB 1.840 33.729 31.823 0.110 0.000 0.999 62 V HN 0.548 nan 8.190 nan 0.000 0.424 63 F N 4.368 124.479 119.950 0.268 0.000 2.388 63 F HA 0.630 5.135 4.527 -0.036 0.000 0.358 63 F C 0.141 176.039 175.800 0.164 0.000 1.122 63 F CA -1.779 56.367 58.000 0.243 0.000 1.056 63 F CB 1.195 40.380 39.000 0.308 0.000 1.155 63 F HN 0.234 nan 8.300 nan 0.000 0.461 64 I N 3.900 124.649 120.570 0.299 0.000 2.355 64 I HA 0.215 4.363 4.170 -0.036 0.000 0.288 64 I C -0.218 175.996 176.117 0.161 0.000 0.999 64 I CA -0.702 60.707 61.300 0.182 0.000 1.163 64 I CB 1.334 39.403 38.000 0.115 0.000 1.316 64 I HN 0.532 nan 8.210 nan 0.000 0.454 65 H N 5.918 125.022 119.070 0.056 0.000 2.482 65 H HA 0.341 4.876 4.556 -0.036 0.000 0.344 65 H C -1.117 174.214 175.328 0.005 0.000 1.151 65 H CA -0.242 55.819 56.048 0.021 0.000 1.300 65 H CB 1.371 31.146 29.762 0.021 0.000 1.494 65 H HN 0.515 nan 8.280 nan 0.000 0.542 66 D N 3.870 123.815 120.400 -0.757 0.000 2.549 66 D HA 0.090 4.709 4.640 -0.036 0.000 0.251 66 D C 1.024 176.920 176.300 -0.674 0.000 1.153 66 D CA -0.464 53.234 54.000 -0.503 0.000 0.861 66 D CB 1.633 42.283 40.800 -0.251 0.000 1.207 66 D HN 0.492 nan 8.370 nan 0.000 0.543 67 V N 2.072 121.773 119.914 -0.356 0.000 2.970 67 V HA -0.073 4.026 4.120 -0.036 0.000 0.260 67 V C 1.749 177.801 176.094 -0.071 0.000 1.100 67 V CA 1.696 63.913 62.300 -0.138 0.000 1.122 67 V CB -0.630 31.197 31.823 0.006 0.000 0.721 67 V HN 0.504 nan 8.190 nan 0.000 0.483 68 S N 0.016 115.664 115.700 -0.086 0.000 2.603 68 S HA 0.395 4.844 4.470 -0.036 0.000 0.220 68 S C 1.709 176.281 174.600 -0.047 0.000 0.967 68 S CA 0.813 58.986 58.200 -0.046 0.000 0.920 68 S CB 0.117 63.295 63.200 -0.037 0.000 0.773 68 S HN 1.759 nan 8.310 nan 0.000 0.529 69 G N 0.288 109.044 108.800 -0.074 0.000 2.179 69 G HA2 -0.031 3.908 3.960 -0.036 0.000 0.220 69 G HA3 -0.031 3.908 3.960 -0.036 0.000 0.220 69 G C 0.288 175.153 174.900 -0.058 0.000 0.990 69 G CA -0.134 44.937 45.100 -0.049 0.000 0.646 69 G HN 1.165 nan 8.290 nan 0.000 0.517 70 A N 0.268 123.041 122.820 -0.079 0.000 2.346 70 A HA 0.716 5.015 4.320 -0.036 0.000 0.252 70 A C 0.852 178.390 177.584 -0.077 0.000 1.089 70 A CA 0.056 52.053 52.037 -0.068 0.000 0.797 70 A CB 0.262 19.224 19.000 -0.063 0.000 1.047 70 A HN 0.526 nan 8.150 nan 0.000 0.494 71 R N 1.019 121.482 120.500 -0.062 0.000 2.543 71 R HA 0.286 4.604 4.340 -0.036 0.000 0.277 71 R C -2.241 174.019 176.300 -0.066 0.000 1.074 71 R CA -1.192 54.869 56.100 -0.065 0.000 1.076 71 R CB 0.060 30.322 30.300 -0.064 0.000 0.993 71 R HN 0.574 nan 8.270 nan 0.000 0.459 72 P HA 0.041 nan 4.420 nan 0.000 0.274 72 P C -1.006 176.265 177.300 -0.048 0.000 1.256 72 P CA -0.241 62.835 63.100 -0.041 0.000 0.795 72 P CB 0.828 32.512 31.700 -0.027 0.000 1.038 73 Q N -0.313 119.490 119.800 0.005 0.000 2.394 73 Q HA 0.351 4.669 4.340 -0.036 0.000 0.273 73 Q C -0.702 175.362 176.000 0.106 0.000 1.089 73 Q CA -0.685 55.135 55.803 0.028 0.000 0.812 73 Q CB 2.690 31.454 28.738 0.044 0.000 1.353 73 Q HN 0.474 nan 8.270 nan 0.000 0.438 74 E N 1.758 122.028 120.200 0.116 0.000 2.156 74 E HA 0.461 4.789 4.350 -0.036 0.000 0.279 74 E C -1.427 175.299 176.600 0.210 0.000 0.965 74 E CA -0.505 56.052 56.400 0.261 0.000 0.789 74 E CB 1.289 31.146 29.700 0.263 0.000 1.098 74 E HN 0.278 nan 8.360 nan 0.000 0.397 75 V N 3.452 123.510 119.914 0.242 0.000 2.709 75 V HA 0.369 4.467 4.120 -0.036 0.000 0.308 75 V C -0.321 175.869 176.094 0.159 0.000 1.062 75 V CA -0.802 61.595 62.300 0.161 0.000 0.901 75 V CB 2.241 34.140 31.823 0.127 0.000 1.003 75 V HN 0.712 nan 8.190 nan 0.000 0.425 76 T N 3.621 118.247 114.554 0.119 0.000 2.779 76 T HA 0.658 4.986 4.350 -0.036 0.000 0.280 76 T C -0.554 174.199 174.700 0.089 0.000 0.987 76 T CA -0.352 61.812 62.100 0.107 0.000 0.966 76 T CB 1.597 70.516 68.868 0.085 0.000 0.933 76 T HN 0.380 nan 8.240 nan 0.000 0.442 77 V N 2.615 122.592 119.914 0.105 0.000 2.604 77 V HA 0.564 4.662 4.120 -0.036 0.000 0.305 77 V C 0.152 176.309 176.094 0.105 0.000 1.043 77 V CA -0.856 61.495 62.300 0.085 0.000 0.888 77 V CB 2.107 33.968 31.823 0.064 0.000 0.995 77 V HN 0.881 nan 8.190 nan 0.000 0.429 78 S N 2.942 118.683 115.700 0.068 0.000 2.399 78 S HA 0.222 4.671 4.470 -0.036 0.000 0.301 78 S C 0.962 175.595 174.600 0.055 0.000 1.093 78 S CA -0.214 58.027 58.200 0.067 0.000 1.077 78 S CB 1.005 64.226 63.200 0.036 0.000 0.980 78 S HN 0.889 nan 8.310 nan 0.000 0.494 79 V N 3.934 123.899 119.914 0.085 0.000 2.667 79 V HA -0.005 4.093 4.120 -0.036 0.000 0.252 79 V C 1.964 178.068 176.094 0.017 0.000 1.065 79 V CA 1.892 64.203 62.300 0.019 0.000 1.083 79 V CB -1.614 30.192 31.823 -0.028 0.000 0.692 79 V HN 0.772 nan 8.190 nan 0.000 0.468 80 T N 1.750 116.326 114.554 0.035 0.000 2.708 80 T HA -0.118 4.210 4.350 -0.036 0.000 0.266 80 T C 1.709 176.413 174.700 0.007 0.000 1.037 80 T CA 2.184 64.294 62.100 0.017 0.000 1.146 80 T CB -0.427 68.450 68.868 0.014 0.000 0.865 80 T HN 0.579 nan 8.240 nan 0.000 0.435 81 N N 0.113 118.818 118.700 0.009 0.000 2.299 81 N HA 0.151 4.870 4.740 -0.036 0.000 0.187 81 N C 1.283 176.794 175.510 0.001 0.000 1.099 81 N CA 0.649 53.702 53.050 0.004 0.000 0.867 81 N CB 0.468 38.958 38.487 0.005 0.000 0.974 81 N HN 0.520 nan 8.380 nan 0.000 0.477 82 G N 1.663 110.462 108.800 -0.001 0.000 2.246 82 G HA2 -0.263 3.676 3.960 -0.036 0.000 0.273 82 G HA3 -0.263 3.676 3.960 -0.036 0.000 0.273 82 G C 0.106 175.005 174.900 -0.002 0.000 1.055 82 G CA 0.975 46.071 45.100 -0.007 0.000 0.851 82 G HN 0.490 nan 8.290 nan 0.000 0.500 83 T N -3.526 111.031 114.554 0.005 0.000 2.916 83 T HA 0.687 5.015 4.350 -0.036 0.000 0.292 83 T C -0.201 174.509 174.700 0.017 0.000 1.055 83 T CA -0.637 61.468 62.100 0.009 0.000 1.009 83 T CB 2.712 71.586 68.868 0.010 0.000 1.118 83 T HN 0.759 nan 8.240 nan 0.000 0.497 84 V N 3.886 123.811 119.914 0.018 0.000 2.408 84 V HA 0.144 4.243 4.120 -0.036 0.000 0.267 84 V C 1.182 177.292 176.094 0.028 0.000 1.047 84 V CA -0.599 61.718 62.300 0.027 0.000 0.937 84 V CB 0.170 32.008 31.823 0.026 0.000 0.999 84 V HN 0.804 nan 8.190 nan 0.000 0.472 85 I N 3.438 124.029 120.570 0.035 0.000 2.193 85 I HA -0.003 4.145 4.170 -0.036 0.000 0.240 85 I C 1.109 177.245 176.117 0.032 0.000 1.084 85 I CA 1.286 62.605 61.300 0.031 0.000 1.365 85 I CB -0.468 37.553 38.000 0.034 0.000 1.064 85 I HN 0.792 nan 8.210 nan 0.000 0.410 86 S N -0.414 115.312 115.700 0.043 0.000 2.550 86 S HA 0.832 5.280 4.470 -0.036 0.000 0.270 86 S C -0.885 173.748 174.600 0.055 0.000 1.145 86 S CA -0.540 57.686 58.200 0.043 0.000 0.852 86 S CB 2.744 65.971 63.200 0.045 0.000 1.119 86 S HN 0.345 nan 8.310 nan 0.000 0.465 87 A N 0.976 123.824 122.820 0.047 0.000 2.456 87 A HA 0.797 5.095 4.320 -0.036 0.000 0.288 87 A C -1.296 176.311 177.584 0.037 0.000 1.042 87 A CA -0.711 51.357 52.037 0.051 0.000 0.738 87 A CB 1.503 20.529 19.000 0.043 0.000 1.266 87 A HN 1.783 nan 8.150 nan 0.000 0.407 88 V N 2.665 122.603 119.914 0.040 0.000 2.686 88 V HA 0.454 4.553 4.120 -0.036 0.000 0.306 88 V C -0.351 175.740 176.094 -0.005 0.000 1.065 88 V CA -0.514 61.796 62.300 0.016 0.000 0.894 88 V CB 1.784 33.618 31.823 0.018 0.000 1.004 88 V HN 0.966 nan 8.190 nan 0.000 0.424 89 E N 5.372 125.558 120.200 -0.023 0.000 2.360 89 E HA 0.316 4.645 4.350 -0.036 0.000 0.269 89 E C -0.952 175.597 176.600 -0.085 0.000 1.022 89 E CA -0.102 56.270 56.400 -0.048 0.000 0.887 89 E CB 1.116 30.790 29.700 -0.043 0.000 0.990 89 E HN 0.526 nan 8.360 nan 0.000 0.426 90 L N 2.642 123.783 121.223 -0.136 0.000 2.309 90 L HA 0.242 4.561 4.340 -0.036 0.000 0.282 90 L C 0.214 176.968 176.870 -0.194 0.000 1.036 90 L CA -0.675 54.031 54.840 -0.224 0.000 0.806 90 L CB 1.002 42.817 42.059 -0.407 0.000 1.220 90 L HN 0.412 nan 8.230 nan 0.000 0.429 91 D N 1.163 121.452 120.400 -0.186 0.000 2.467 91 D HA 0.078 4.697 4.640 -0.036 0.000 0.220 91 D C 1.162 177.351 176.300 -0.185 0.000 1.103 91 D CA -0.287 53.626 54.000 -0.146 0.000 0.886 91 D CB 1.364 42.104 40.800 -0.100 0.000 1.025 91 D HN 0.673 nan 8.370 nan 0.000 0.514 92 T N 0.746 115.186 114.554 -0.190 0.000 2.951 92 T HA -0.053 4.275 4.350 -0.036 0.000 0.268 92 T C 1.870 176.493 174.700 -0.128 0.000 1.073 92 T CA 0.801 62.771 62.100 -0.216 0.000 1.134 92 T CB -0.014 68.743 68.868 -0.185 0.000 0.884 92 T HN 0.254 nan 8.240 nan 0.000 0.479 93 A N 1.525 124.294 122.820 -0.084 0.000 1.972 93 A HA 0.334 4.633 4.320 -0.036 0.000 0.219 93 A C 2.673 180.243 177.584 -0.022 0.000 1.169 93 A CA 1.743 53.753 52.037 -0.044 0.000 0.635 93 A CB -1.152 17.826 19.000 -0.038 0.000 0.810 93 A HN 0.741 nan 8.150 nan 0.000 0.446 94 A N -0.852 121.943 122.820 -0.041 0.000 1.862 94 A HA 0.085 4.383 4.320 -0.036 0.000 0.211 94 A C 2.292 179.891 177.584 0.025 0.000 1.220 94 A CA 1.996 54.027 52.037 -0.010 0.000 0.616 94 A CB -0.897 18.082 19.000 -0.035 0.000 0.878 94 A HN 0.686 nan 8.150 nan 0.000 0.453 95 T N -3.825 110.652 114.554 -0.128 0.000 3.044 95 T HA 0.477 4.805 4.350 -0.036 0.000 0.250 95 T C 0.828 175.151 174.700 -0.628 0.000 1.081 95 T CA 0.867 62.795 62.100 -0.287 0.000 1.040 95 T CB 0.107 68.811 68.868 -0.273 0.000 0.962 95 T HN 1.898 nan 8.240 nan 0.000 0.506 96 G N 0.943 109.506 108.800 -0.396 0.000 2.525 96 G HA2 0.128 4.066 3.960 -0.036 0.000 0.685 96 G HA3 0.128 4.066 3.960 -0.036 0.000 0.685 96 G C -1.257 173.470 174.900 -0.289 0.000 1.285 96 G CA -1.102 43.822 45.100 -0.293 0.000 0.849 96 G HN 0.195 nan 8.290 nan 0.000 0.653 97 E N -0.089 120.024 120.200 -0.144 0.000 2.374 97 E HA 0.466 4.795 4.350 -0.036 0.000 0.260 97 E C 0.788 177.341 176.600 -0.078 0.000 1.101 97 E CA -0.593 55.728 56.400 -0.132 0.000 0.907 97 E CB 1.083 30.738 29.700 -0.076 0.000 1.014 97 E HN 0.375 nan 8.360 nan 0.000 0.427 98 L N 2.675 123.859 121.223 -0.066 0.000 2.476 98 L HA 0.136 4.455 4.340 -0.036 0.000 0.264 98 L C -1.986 174.920 176.870 0.061 0.000 1.224 98 L CA -1.208 53.668 54.840 0.061 0.000 0.821 98 L CB -0.783 41.322 42.059 0.077 0.000 1.101 98 L HN 0.301 nan 8.230 nan 0.000 0.488 99 P HA 0.011 nan 4.420 nan 0.000 0.268 99 P C -0.824 176.500 177.300 0.040 0.000 1.208 99 P CA -0.346 62.799 63.100 0.076 0.000 0.777 99 P CB 0.252 32.037 31.700 0.141 0.000 0.875 100 V N 3.370 123.289 119.914 0.009 0.000 2.694 100 V HA -0.104 3.995 4.120 -0.036 0.000 0.306 100 V C 0.768 176.960 176.094 0.162 0.000 1.054 100 V CA 0.452 62.788 62.300 0.060 0.000 1.161 100 V CB -0.543 31.308 31.823 0.047 0.000 0.916 100 V HN 0.292 nan 8.190 nan 0.000 0.490 101 L N 3.705 124.998 121.223 0.116 0.000 2.350 101 L HA 0.275 4.594 4.340 -0.036 0.000 0.275 101 L C 1.504 178.473 176.870 0.166 0.000 1.099 101 L CA 0.486 55.382 54.840 0.094 0.000 0.808 101 L CB 0.509 42.569 42.059 0.002 0.000 1.149 101 L HN 0.761 nan 8.230 nan 0.000 0.442 102 E N 1.533 121.763 120.200 0.049 0.000 2.118 102 E HA -0.245 4.084 4.350 -0.036 0.000 0.195 102 E C 1.436 178.021 176.600 -0.025 0.000 0.992 102 E CA 1.442 57.762 56.400 -0.134 0.000 0.804 102 E CB 0.259 29.899 29.700 -0.100 0.000 0.741 102 E HN 0.797 nan 8.360 nan 0.000 0.458 103 E N 0.154 120.381 120.200 0.046 0.000 2.268 103 E HA -0.208 4.120 4.350 -0.036 0.000 0.195 103 E C 1.396 178.081 176.600 0.141 0.000 0.995 103 E CA 1.022 57.472 56.400 0.083 0.000 0.836 103 E CB -0.097 29.637 29.700 0.056 0.000 0.763 103 E HN 0.357 nan 8.360 nan 0.000 0.491 104 E N -0.241 120.073 120.200 0.191 0.000 2.371 104 E HA -0.034 4.295 4.350 -0.036 0.000 0.194 104 E C 1.279 178.054 176.600 0.291 0.000 1.012 104 E CA 0.156 56.675 56.400 0.199 0.000 0.860 104 E CB -0.075 29.713 29.700 0.146 0.000 0.811 104 E HN 0.206 nan 8.360 nan 0.000 0.502 105 F N 2.302 122.306 119.950 0.090 0.000 2.065 105 F HA -0.241 4.265 4.527 -0.035 0.000 0.298 105 F C 2.453 178.295 175.800 0.070 0.000 1.112 105 F CA 1.773 59.832 58.000 0.099 0.000 1.212 105 F CB -0.700 38.367 39.000 0.111 0.000 0.975 105 F HN 0.131 nan 8.300 nan 0.000 0.476 106 E N -0.273 120.090 120.200 0.273 0.000 2.274 106 E HA -0.107 4.222 4.350 -0.036 0.000 0.194 106 E C 2.058 178.712 176.600 0.091 0.000 0.996 106 E CA 1.294 57.788 56.400 0.155 0.000 0.840 106 E CB -0.736 29.043 29.700 0.131 0.000 0.772 106 E HN 0.255 nan 8.360 nan 0.000 0.491 107 V N 1.569 121.537 119.914 0.091 0.000 2.490 107 V HA -0.234 3.864 4.120 -0.036 0.000 0.250 107 V C 2.435 178.527 176.094 -0.005 0.000 1.061 107 V CA 1.375 63.702 62.300 0.045 0.000 1.064 107 V CB -0.168 31.686 31.823 0.052 0.000 0.670 107 V HN 0.210 nan 8.190 nan 0.000 0.461 108 V N -0.086 119.820 119.914 -0.015 0.000 2.261 108 V HA -0.300 3.799 4.120 -0.036 0.000 0.246 108 V C 2.419 178.423 176.094 -0.150 0.000 1.047 108 V CA 2.418 64.666 62.300 -0.087 0.000 1.015 108 V CB -0.587 31.190 31.823 -0.076 0.000 0.642 108 V HN 0.649 nan 8.190 nan 0.000 0.446 109 E N -0.188 119.958 120.200 -0.089 0.000 2.051 109 E HA -0.286 4.043 4.350 -0.036 0.000 0.192 109 E C 2.302 178.855 176.600 -0.079 0.000 0.991 109 E CA 1.605 57.951 56.400 -0.089 0.000 0.799 109 E CB -0.105 29.596 29.700 0.002 0.000 0.748 109 E HN 0.675 nan 8.360 nan 0.000 0.449 110 Q N 0.104 119.884 119.800 -0.034 0.000 2.096 110 Q HA -0.180 4.139 4.340 -0.036 0.000 0.204 110 Q C 2.409 178.385 176.000 -0.039 0.000 0.982 110 Q CA 1.576 57.370 55.803 -0.015 0.000 0.850 110 Q CB -0.075 28.669 28.738 0.009 0.000 0.901 110 Q HN 0.369 nan 8.270 nan 0.000 0.422 111 L N -0.036 121.144 121.223 -0.072 0.000 2.072 111 L HA -0.149 4.170 4.340 -0.036 0.000 0.205 111 L C 2.209 179.000 176.870 -0.132 0.000 1.079 111 L CA 0.691 55.482 54.840 -0.082 0.000 0.752 111 L CB -0.244 41.765 42.059 -0.084 0.000 0.906 111 L HN 0.245 nan 8.230 nan 0.000 0.436 112 L N -0.365 120.699 121.223 -0.265 0.000 2.201 112 L HA -0.145 4.174 4.340 -0.036 0.000 0.212 112 L C 2.759 179.520 176.870 -0.183 0.000 1.105 112 L CA 0.815 55.369 54.840 -0.476 0.000 0.775 112 L CB -0.620 40.701 42.059 -1.229 0.000 0.913 112 L HN 0.233 nan 8.230 nan 0.000 0.440 113 A N -0.235 122.555 122.820 -0.051 0.000 2.070 113 A HA -0.159 4.140 4.320 -0.036 0.000 0.220 113 A C 2.068 179.712 177.584 0.101 0.000 1.159 113 A CA 1.963 54.060 52.037 0.101 0.000 0.656 113 A CB -0.631 18.410 19.000 0.069 0.000 0.800 113 A HN 0.497 nan 8.150 nan 0.000 0.453 114 T N -3.206 111.380 114.554 0.053 0.000 3.129 114 T HA 0.275 4.603 4.350 -0.036 0.000 0.267 114 T C -0.144 174.588 174.700 0.053 0.000 1.018 114 T CA 0.157 62.288 62.100 0.051 0.000 0.903 114 T CB -0.314 68.572 68.868 0.029 0.000 1.067 114 T HN 0.313 nan 8.240 nan 0.000 0.549 115 D N 1.056 121.500 120.400 0.073 0.000 2.277 115 D HA 0.244 4.863 4.640 -0.036 0.000 0.249 115 D C 1.084 177.455 176.300 0.118 0.000 1.134 115 D CA -0.405 53.641 54.000 0.077 0.000 0.863 115 D CB 1.255 42.092 40.800 0.060 0.000 1.143 115 D HN 0.176 nan 8.370 nan 0.000 0.458 116 E N 2.143 122.388 120.200 0.074 0.000 2.110 116 E HA -0.169 4.159 4.350 -0.036 0.000 0.193 116 E C 1.731 178.370 176.600 0.066 0.000 0.988 116 E CA 0.879 57.315 56.400 0.060 0.000 0.804 116 E CB 0.231 29.952 29.700 0.034 0.000 0.745 116 E HN 0.451 nan 8.360 nan 0.000 0.458 117 R N 0.105 120.652 120.500 0.078 0.000 2.075 117 R HA -0.104 4.215 4.340 -0.036 0.000 0.232 117 R C 2.202 178.572 176.300 0.116 0.000 1.126 117 R CA 1.294 57.437 56.100 0.072 0.000 0.963 117 R CB -0.368 29.969 30.300 0.062 0.000 0.858 117 R HN 0.373 nan 8.270 nan 0.000 0.435 118 W N 1.603 122.881 121.300 -0.037 0.000 2.355 118 W HA -0.164 4.491 4.660 -0.008 0.000 0.309 118 W C 1.476 177.981 176.519 -0.024 0.000 1.206 118 W CA 1.329 58.654 57.345 -0.033 0.000 1.284 118 W CB -0.129 29.314 29.460 -0.028 0.000 1.145 118 W HN 0.094 nan 8.180 nan 0.000 0.502 119 L N 0.668 121.960 121.223 0.116 0.000 2.083 119 L HA -0.245 4.073 4.340 -0.036 0.000 0.209 119 L C 2.607 179.439 176.870 -0.064 0.000 1.083 119 L CA 1.603 56.449 54.840 0.009 0.000 0.752 119 L CB -0.895 41.200 42.059 0.061 0.000 0.899 119 L HN -0.086 nan 8.230 nan 0.000 0.433 120 K N 0.377 120.752 120.400 -0.043 0.000 2.057 120 K HA -0.169 4.129 4.320 -0.036 0.000 0.206 120 K C 2.169 178.704 176.600 -0.108 0.000 1.050 120 K CA 1.250 57.502 56.287 -0.058 0.000 0.935 120 K CB -0.060 32.421 32.500 -0.032 0.000 0.715 120 K HN 0.258 nan 8.250 nan 0.000 0.439 121 A N 1.245 123.967 122.820 -0.162 0.000 1.902 121 A HA -0.120 4.179 4.320 -0.036 0.000 0.217 121 A C 2.079 179.496 177.584 -0.278 0.000 1.181 121 A CA 1.262 53.162 52.037 -0.229 0.000 0.623 121 A CB -0.557 18.252 19.000 -0.320 0.000 0.818 121 A HN 0.308 nan 8.150 nan 0.000 0.443 122 L N -1.014 119.998 121.223 -0.352 0.000 2.109 122 L HA -0.127 4.191 4.340 -0.036 0.000 0.207 122 L C 3.050 179.819 176.870 -0.169 0.000 1.086 122 L CA 0.917 55.576 54.840 -0.302 0.000 0.760 122 L CB -0.559 41.306 42.059 -0.324 0.000 0.910 122 L HN 0.434 nan 8.230 nan 0.000 0.437 123 A N 0.218 122.960 122.820 -0.130 0.000 1.969 123 A HA -0.107 4.191 4.320 -0.036 0.000 0.218 123 A C 2.509 180.047 177.584 -0.077 0.000 1.169 123 A CA 1.493 53.480 52.037 -0.083 0.000 0.635 123 A CB -0.545 18.419 19.000 -0.060 0.000 0.810 123 A HN 0.380 nan 8.150 nan 0.000 0.445 124 A N -0.285 122.482 122.820 -0.089 0.000 2.019 124 A HA -0.103 4.196 4.320 -0.036 0.000 0.219 124 A C 2.061 179.601 177.584 -0.073 0.000 1.164 124 A CA 1.393 53.385 52.037 -0.075 0.000 0.644 124 A CB -0.289 18.664 19.000 -0.079 0.000 0.805 124 A HN 0.546 nan 8.150 nan 0.000 0.449 125 R N -0.760 119.687 120.500 -0.088 0.000 2.432 125 R HA 0.128 4.446 4.340 -0.036 0.000 0.260 125 R C -0.322 175.937 176.300 -0.067 0.000 0.935 125 R CA 0.103 56.157 56.100 -0.077 0.000 1.080 125 R CB 0.199 30.442 30.300 -0.096 0.000 1.155 125 R HN 0.434 nan 8.270 nan 0.000 0.531 126 N N 1.019 119.680 118.700 -0.065 0.000 2.740 126 N HA -0.182 4.537 4.740 -0.036 0.000 0.248 126 N C -1.025 174.453 175.510 -0.054 0.000 1.062 126 N CA 0.973 53.992 53.050 -0.051 0.000 0.704 126 N CB -1.355 37.109 38.487 -0.038 0.000 0.968 126 N HN 0.291 nan 8.380 nan 0.000 0.547 127 L N 0.183 121.364 121.223 -0.071 0.000 2.296 127 L HA 0.330 4.648 4.340 -0.036 0.000 0.286 127 L C 0.654 177.492 176.870 -0.054 0.000 1.023 127 L CA -0.865 53.934 54.840 -0.069 0.000 0.812 127 L CB 1.454 43.455 42.059 -0.096 0.000 1.223 127 L HN -0.092 nan 8.230 nan 0.000 0.421 128 D N 2.185 122.566 120.400 -0.032 0.000 2.371 128 D HA -0.010 4.609 4.640 -0.036 0.000 0.256 128 D C 0.810 177.112 176.300 0.003 0.000 1.193 128 D CA 0.150 54.143 54.000 -0.012 0.000 0.881 128 D CB 1.872 42.669 40.800 -0.004 0.000 1.143 128 D HN 0.300 nan 8.370 nan 0.000 0.473 129 V N 4.040 123.965 119.914 0.019 0.000 2.469 129 V HA -0.257 3.841 4.120 -0.036 0.000 0.251 129 V C 2.155 178.292 176.094 0.072 0.000 1.064 129 V CA 2.834 65.172 62.300 0.063 0.000 1.066 129 V CB -0.481 31.397 31.823 0.091 0.000 0.667 129 V HN 0.743 nan 8.190 nan 0.000 0.461 130 S N -0.820 114.909 115.700 0.049 0.000 2.442 130 S HA -0.163 4.286 4.470 -0.036 0.000 0.236 130 S C 1.749 176.372 174.600 0.038 0.000 1.007 130 S CA 1.343 59.570 58.200 0.045 0.000 0.965 130 S CB -0.429 62.792 63.200 0.035 0.000 0.773 130 S HN 0.748 nan 8.310 nan 0.000 0.504 131 K N 0.599 121.017 120.400 0.029 0.000 2.374 131 K HA 0.293 4.592 4.320 -0.036 0.000 0.196 131 K C -0.664 175.948 176.600 0.019 0.000 1.023 131 K CA -0.053 56.242 56.287 0.013 0.000 1.103 131 K CB 0.802 33.300 32.500 -0.004 0.000 0.848 131 K HN 0.213 nan 8.250 nan 0.000 0.528 132 V N 3.524 123.470 119.914 0.054 0.000 2.334 132 V HA 0.184 4.282 4.120 -0.036 0.000 0.267 132 V C 0.146 176.312 176.094 0.119 0.000 1.040 132 V CA -0.774 61.580 62.300 0.089 0.000 0.866 132 V CB 0.713 32.612 31.823 0.127 0.000 1.019 132 V HN 0.163 nan 8.190 nan 0.000 0.468 133 R N 3.385 123.937 120.500 0.086 0.000 2.490 133 R HA 0.544 4.862 4.340 -0.036 0.000 0.278 133 R C -0.733 175.661 176.300 0.157 0.000 1.069 133 R CA -0.405 55.738 56.100 0.072 0.000 1.080 133 R CB 1.620 31.897 30.300 -0.037 0.000 1.030 133 R HN 0.438 nan 8.270 nan 0.000 0.491 134 V N 2.072 122.066 119.914 0.133 0.000 2.407 134 V HA 0.343 4.442 4.120 -0.036 0.000 0.291 134 V C 0.157 176.337 176.094 0.144 0.000 1.018 134 V CA -1.204 61.197 62.300 0.167 0.000 0.842 134 V CB 1.577 33.432 31.823 0.053 0.000 0.996 134 V HN 0.857 nan 8.190 nan 0.000 0.426 135 A N 7.898 130.870 122.820 0.253 0.000 2.451 135 A HA 0.584 4.883 4.320 -0.036 0.000 0.266 135 A C -2.211 175.468 177.584 0.159 0.000 1.119 135 A CA -1.052 51.122 52.037 0.228 0.000 0.786 135 A CB 0.006 19.273 19.000 0.445 0.000 1.061 135 A HN 0.589 nan 8.150 nan 0.000 0.503 136 P HA 0.411 nan 4.420 nan 0.000 0.288 136 P C -1.017 176.256 177.300 -0.044 0.000 1.363 136 P CA 0.120 63.176 63.100 -0.073 0.000 0.837 136 P CB 0.519 32.079 31.700 -0.233 0.000 0.981 137 L N 2.352 123.658 121.223 0.138 0.000 2.346 137 L HA 0.443 4.762 4.340 -0.036 0.000 0.274 137 L C 1.008 178.083 176.870 0.343 0.000 1.007 137 L CA -0.930 54.115 54.840 0.343 0.000 0.818 137 L CB 1.824 44.263 42.059 0.633 0.000 1.284 137 L HN 0.280 nan 8.230 nan 0.000 0.424 138 S N 0.870 116.858 115.700 0.480 0.000 2.568 138 S HA 0.252 4.700 4.470 -0.036 0.000 0.282 138 S C 0.824 175.611 174.600 0.313 0.000 1.338 138 S CA -0.025 58.347 58.200 0.288 0.000 1.045 138 S CB 1.460 64.831 63.200 0.283 0.000 0.873 138 S HN 0.745 nan 8.310 nan 0.000 0.516 139 A N 3.053 125.953 122.820 0.133 0.000 1.997 139 A HA 0.581 4.880 4.320 -0.036 0.000 0.212 139 A C 1.566 179.296 177.584 0.243 0.000 1.178 139 A CA 0.648 52.704 52.037 0.031 0.000 0.698 139 A CB -1.483 17.456 19.000 -0.102 0.000 0.842 139 A HN 2.305 nan 8.150 nan 0.000 0.458 140 G N -1.549 107.384 108.800 0.221 0.000 2.601 140 G HA2 -0.078 3.860 3.960 -0.036 0.000 0.252 140 G HA3 -0.078 3.860 3.960 -0.036 0.000 0.252 140 G C -0.346 174.539 174.900 -0.026 0.000 1.294 140 G CA -0.138 45.055 45.100 0.154 0.000 0.912 140 G HN 1.147 nan 8.290 nan 0.000 0.574 141 V N 0.904 120.590 119.914 -0.381 0.000 2.447 141 V HA 0.734 4.832 4.120 -0.036 0.000 0.292 141 V C -0.177 175.430 176.094 -0.812 0.000 1.021 141 V CA -0.321 61.749 62.300 -0.383 0.000 0.850 141 V CB 1.050 32.693 31.823 -0.300 0.000 1.005 141 V HN 0.705 nan 8.190 nan 0.000 0.426 142 F N 1.898 121.827 119.950 -0.036 0.000 3.336 142 F HA 0.464 4.971 4.527 -0.034 0.000 0.214 142 F C 1.182 176.853 175.800 -0.216 0.000 1.614 142 F CA -0.687 57.245 58.000 -0.113 0.000 0.939 142 F CB 0.476 39.413 39.000 -0.104 0.000 1.865 142 F HN 0.319 nan 8.300 nan 0.000 0.306 143 E N -0.798 119.249 120.200 -0.254 0.000 2.463 143 E HA 0.100 4.428 4.350 -0.036 0.000 0.193 143 E C -1.275 175.156 176.600 -0.283 0.000 1.041 143 E CA 0.121 56.345 56.400 -0.293 0.000 0.879 143 E CB -0.185 29.337 29.700 -0.297 0.000 0.997 143 E HN 0.267 nan 8.360 nan 0.000 0.478 144 Y N 0.338 120.681 120.300 0.072 0.000 2.595 144 Y HA 0.395 4.924 4.550 -0.035 0.000 0.347 144 Y C 1.352 177.265 175.900 0.022 0.000 1.025 144 Y CA -0.801 57.329 58.100 0.050 0.000 1.295 144 Y CB 0.418 38.904 38.460 0.043 0.000 1.147 144 Y HN 0.012 nan 8.280 nan 0.000 0.515 145 A N 2.056 124.953 122.820 0.127 0.000 2.019 145 A HA -0.190 4.109 4.320 -0.036 0.000 0.219 145 A C 1.778 179.401 177.584 0.064 0.000 1.164 145 A CA 1.479 53.556 52.037 0.067 0.000 0.644 145 A CB -0.233 18.793 19.000 0.043 0.000 0.805 145 A HN 0.749 nan 8.150 nan 0.000 0.449 146 E N 0.768 121.019 120.200 0.085 0.000 2.347 146 E HA -0.101 4.228 4.350 -0.036 0.000 0.196 146 E C 1.359 177.984 176.600 0.042 0.000 1.008 146 E CA 1.123 57.556 56.400 0.055 0.000 0.852 146 E CB -0.374 29.358 29.700 0.054 0.000 0.783 146 E HN 0.762 nan 8.360 nan 0.000 0.505 147 E N 0.953 121.188 120.200 0.058 0.000 2.358 147 E HA 0.005 4.334 4.350 -0.036 0.000 0.195 147 E C 0.156 176.762 176.600 0.010 0.000 1.010 147 E CA -0.005 56.412 56.400 0.028 0.000 0.856 147 E CB 0.092 29.815 29.700 0.038 0.000 0.795 147 E HN 0.190 nan 8.360 nan 0.000 0.504 148 R N 0.532 121.040 120.500 0.013 0.000 2.370 148 R HA 0.149 4.468 4.340 -0.036 0.000 0.309 148 R C 0.811 177.104 176.300 -0.011 0.000 1.059 148 R CA 0.669 56.767 56.100 -0.004 0.000 0.981 148 R CB 0.553 30.850 30.300 -0.005 0.000 0.972 148 R HN 0.271 nan 8.270 nan 0.000 0.437 149 G N 2.455 111.241 108.800 -0.022 0.000 2.176 149 G HA2 -0.240 3.699 3.960 -0.036 0.000 0.253 149 G HA3 -0.240 3.699 3.960 -0.036 0.000 0.253 149 G C 0.010 174.896 174.900 -0.023 0.000 0.979 149 G CA -0.197 44.885 45.100 -0.029 0.000 0.641 149 G HN 0.440 nan 8.290 nan 0.000 0.530 150 R N 0.019 120.509 120.500 -0.017 0.000 2.664 150 R HA 0.581 4.900 4.340 -0.036 0.000 0.286 150 R C 0.184 176.473 176.300 -0.018 0.000 0.967 150 R CA -1.039 55.054 56.100 -0.011 0.000 0.933 150 R CB 0.750 31.046 30.300 -0.008 0.000 1.146 150 R HN 0.280 nan 8.270 nan 0.000 0.468 151 R N 2.173 122.666 120.500 -0.011 0.000 2.248 151 R HA 0.351 4.670 4.340 -0.036 0.000 0.337 151 R C -0.106 176.176 176.300 -0.030 0.000 1.106 151 R CA -0.178 55.907 56.100 -0.024 0.000 0.959 151 R CB 0.396 30.684 30.300 -0.020 0.000 1.075 151 R HN 0.314 nan 8.270 nan 0.000 0.480 152 I N 4.915 125.457 120.570 -0.046 0.000 2.493 152 I HA 0.397 4.546 4.170 -0.036 0.000 0.298 152 I C 0.055 176.129 176.117 -0.072 0.000 0.998 152 I CA -0.766 60.495 61.300 -0.065 0.000 1.137 152 I CB 1.689 39.630 38.000 -0.097 0.000 1.310 152 I HN 0.451 nan 8.210 nan 0.000 0.445 153 L N 5.445 126.624 121.223 -0.072 0.000 2.354 153 L HA 0.573 4.891 4.340 -0.036 0.000 0.269 153 L C -0.043 176.764 176.870 -0.104 0.000 1.005 153 L CA -0.853 53.946 54.840 -0.069 0.000 0.819 153 L CB 2.283 44.320 42.059 -0.038 0.000 1.311 153 L HN 0.494 nan 8.230 nan 0.000 0.423 154 R N 0.602 121.018 120.500 -0.140 0.000 2.604 154 R HA 0.665 4.983 4.340 -0.036 0.000 0.287 154 R C -0.232 176.076 176.300 0.014 0.000 0.970 154 R CA -0.737 55.257 56.100 -0.176 0.000 0.946 154 R CB 1.859 31.723 30.300 -0.727 0.000 1.127 154 R HN 0.767 nan 8.270 nan 0.000 0.473 155 G N 2.582 111.417 108.800 0.058 0.000 2.470 155 G HA2 0.563 4.502 3.960 -0.036 0.000 0.320 155 G HA3 0.563 4.502 3.960 -0.036 0.000 0.320 155 G C -0.841 174.223 174.900 0.273 0.000 1.245 155 G CA -0.592 44.577 45.100 0.114 0.000 0.935 155 G HN 0.287 nan 8.290 nan 0.000 0.476 156 L N 1.560 123.016 121.223 0.388 0.000 2.346 156 L HA 0.725 5.043 4.340 -0.036 0.000 0.276 156 L C 0.519 177.539 176.870 0.249 0.000 1.006 156 L CA -0.985 54.073 54.840 0.363 0.000 0.817 156 L CB 2.192 44.547 42.059 0.492 0.000 1.272 156 L HN 0.615 nan 8.230 nan 0.000 0.421 157 A N 2.885 125.730 122.820 0.043 0.000 2.306 157 A HA 0.850 5.148 4.320 -0.036 0.000 0.314 157 A C -1.200 176.102 177.584 -0.471 0.000 1.164 157 A CA -0.197 51.853 52.037 0.022 0.000 0.822 157 A CB 0.485 19.566 19.000 0.137 0.000 1.130 157 A HN 0.498 nan 8.150 nan 0.000 0.496 158 F N 0.926 120.860 119.950 -0.025 0.000 2.574 158 F HA 0.429 4.936 4.527 -0.032 0.000 0.313 158 F C -0.140 175.613 175.800 -0.079 0.000 1.130 158 F CA -0.696 57.242 58.000 -0.104 0.000 0.936 158 F CB 2.227 41.043 39.000 -0.305 0.000 1.219 158 F HN 0.314 nan 8.300 nan 0.000 0.445 159 V N 2.839 122.828 119.914 0.125 0.000 2.498 159 V HA 0.296 4.394 4.120 -0.036 0.000 0.279 159 V C -0.287 175.841 176.094 0.057 0.000 1.048 159 V CA -0.507 61.822 62.300 0.049 0.000 0.967 159 V CB 1.391 33.200 31.823 -0.025 0.000 0.988 159 V HN 0.744 nan 8.190 nan 0.000 0.473 160 Q N 2.540 122.324 119.800 -0.026 0.000 2.394 160 Q HA 0.240 4.558 4.340 -0.036 0.000 0.259 160 Q C -0.014 175.905 176.000 -0.135 0.000 1.021 160 Q CA -0.616 55.130 55.803 -0.096 0.000 0.805 160 Q CB 1.286 29.951 28.738 -0.121 0.000 1.226 160 Q HN 0.754 nan 8.270 nan 0.000 0.476 161 D N 3.193 123.463 120.400 -0.216 0.000 2.219 161 D HA -0.014 4.604 4.640 -0.036 0.000 0.205 161 D C 0.027 176.377 176.300 0.084 0.000 0.970 161 D CA 1.222 55.168 54.000 -0.090 0.000 0.851 161 D CB 0.176 40.975 40.800 -0.001 0.000 0.943 161 D HN 0.419 nan 8.370 nan 0.000 0.488 162 F N -4.522 115.426 119.950 -0.004 0.000 2.741 162 F HA 0.380 4.882 4.527 -0.041 0.000 0.313 162 F C -2.437 173.357 175.800 -0.010 0.000 1.153 162 F CA -2.049 55.944 58.000 -0.011 0.000 0.931 162 F CB 0.546 39.535 39.000 -0.019 0.000 1.335 162 F HN -0.425 nan 8.300 nan 0.000 0.460 163 P HA -0.151 nan 4.420 nan 0.000 0.217 163 P C 0.473 177.794 177.300 0.036 0.000 1.151 163 P CA 1.964 65.112 63.100 0.079 0.000 0.849 163 P CB 0.177 31.937 31.700 0.101 0.000 0.787 164 E N -1.381 118.899 120.200 0.133 0.000 2.476 164 E HA 0.035 4.363 4.350 -0.036 0.000 0.196 164 E C 0.042 176.573 176.600 -0.116 0.000 1.029 164 E CA -0.216 56.224 56.400 0.067 0.000 0.896 164 E CB -0.089 29.712 29.700 0.169 0.000 1.012 164 E HN 0.273 nan 8.360 nan 0.000 0.475 165 D N 0.600 120.689 120.400 -0.520 0.000 2.341 165 D HA 0.001 4.620 4.640 -0.036 0.000 0.245 165 D C -0.534 175.569 176.300 -0.329 0.000 1.106 165 D CA 0.066 53.624 54.000 -0.737 0.000 0.905 165 D CB 1.170 41.198 40.800 -1.287 0.000 1.202 165 D HN -0.187 nan 8.370 nan 0.000 0.426 166 S N 2.194 117.765 115.700 -0.215 0.000 2.400 166 S HA 0.427 4.875 4.470 -0.036 0.000 0.295 166 S C 0.997 175.527 174.600 -0.118 0.000 1.113 166 S CA -0.236 57.908 58.200 -0.093 0.000 1.064 166 S CB 0.328 63.531 63.200 0.005 0.000 0.990 166 S HN 0.503 nan 8.310 nan 0.000 0.502 167 A N 4.971 127.609 122.820 -0.303 0.000 2.015 167 A HA -0.006 4.292 4.320 -0.036 0.000 0.219 167 A C 1.415 178.856 177.584 -0.238 0.000 1.163 167 A CA 0.803 52.670 52.037 -0.283 0.000 0.646 167 A CB -0.715 18.017 19.000 -0.448 0.000 0.806 167 A HN 0.995 nan 8.150 nan 0.000 0.448 168 W N -0.099 121.164 121.300 -0.062 0.000 2.387 168 W HA -0.014 4.629 4.660 -0.028 0.000 0.272 168 W C 2.390 179.021 176.519 0.186 0.000 1.224 168 W CA 0.745 58.055 57.345 -0.058 0.000 1.210 168 W CB -0.180 29.244 29.460 -0.059 0.000 1.125 168 W HN 0.366 nan 8.180 nan 0.000 0.572 169 A N -0.526 122.465 122.820 0.285 0.000 2.121 169 A HA -0.092 4.207 4.320 -0.036 0.000 0.218 169 A C 0.650 178.094 177.584 -0.233 0.000 1.154 169 A CA 0.934 53.017 52.037 0.077 0.000 0.679 169 A CB -0.605 18.316 19.000 -0.133 0.000 0.795 169 A HN 0.353 nan 8.150 nan 0.000 0.458 170 H N -0.439 118.759 119.070 0.213 0.000 2.386 170 H HA 0.248 4.795 4.556 -0.015 0.000 0.232 170 H C -2.926 172.448 175.328 0.077 0.000 1.416 170 H CA -2.329 53.787 56.048 0.113 0.000 1.285 170 H CB -0.289 29.513 29.762 0.068 0.000 1.625 170 H HN 0.347 nan 8.280 nan 0.000 0.521 171 P HA 0.005 nan 4.420 nan 0.000 0.271 171 P C 0.343 177.500 177.300 -0.239 0.000 1.216 171 P CA -0.242 62.709 63.100 -0.248 0.000 0.776 171 P CB 1.894 33.494 31.700 -0.166 0.000 0.881 172 V N 3.557 123.249 119.914 -0.370 0.000 2.259 172 V HA 0.152 4.250 4.120 -0.036 0.000 0.267 172 V C 0.648 176.608 176.094 -0.224 0.000 1.051 172 V CA -0.279 61.886 62.300 -0.225 0.000 0.830 172 V CB 0.241 31.936 31.823 -0.213 0.000 1.080 172 V HN 0.523 nan 8.190 nan 0.000 0.467 173 D N 3.045 123.321 120.400 -0.207 0.000 2.354 173 D HA 0.446 5.065 4.640 -0.036 0.000 0.247 173 D C 1.249 177.492 176.300 -0.094 0.000 1.138 173 D CA 1.315 55.124 54.000 -0.320 0.000 0.958 173 D CB 1.811 42.147 40.800 -0.773 0.000 1.144 173 D HN 0.731 nan 8.370 nan 0.000 0.458 174 G N 0.523 109.280 108.800 -0.072 0.000 2.159 174 G HA2 -0.205 3.733 3.960 -0.036 0.000 0.256 174 G HA3 -0.205 3.733 3.960 -0.036 0.000 0.256 174 G C -0.162 174.782 174.900 0.073 0.000 0.977 174 G CA 0.519 45.723 45.100 0.172 0.000 0.652 174 G HN 0.509 nan 8.290 nan 0.000 0.531 175 L N 0.034 121.271 121.223 0.022 0.000 2.464 175 L HA 0.914 5.233 4.340 -0.036 0.000 0.266 175 L C -0.745 176.197 176.870 0.120 0.000 0.965 175 L CA -1.055 53.795 54.840 0.017 0.000 0.833 175 L CB 2.343 44.332 42.059 -0.116 0.000 1.296 175 L HN 0.675 nan 8.230 nan 0.000 0.405 176 V N 4.010 124.021 119.914 0.161 0.000 3.048 176 V HA 0.994 5.093 4.120 -0.036 0.000 0.303 176 V C -1.344 174.796 176.094 0.077 0.000 1.214 176 V CA 0.336 62.766 62.300 0.217 0.000 0.984 176 V CB 2.111 34.101 31.823 0.279 0.000 1.054 176 V HN 1.229 nan 8.190 nan 0.000 0.430 177 A N 4.585 127.437 122.820 0.054 0.000 2.454 177 A HA 0.973 5.272 4.320 -0.036 0.000 0.302 177 A C -2.101 175.449 177.584 -0.056 0.000 1.079 177 A CA -0.474 51.475 52.037 -0.146 0.000 0.731 177 A CB 1.807 20.705 19.000 -0.170 0.000 1.299 177 A HN 0.868 nan 8.150 nan 0.000 0.413 178 Y N 0.006 120.178 120.300 -0.214 0.000 2.393 178 Y HA 0.645 5.175 4.550 -0.034 0.000 0.341 178 Y C -0.204 175.579 175.900 -0.194 0.000 0.988 178 Y CA -1.718 56.231 58.100 -0.250 0.000 1.078 178 Y CB 1.831 40.100 38.460 -0.318 0.000 1.203 178 Y HN 0.381 nan 8.280 nan 0.000 0.453 179 V N 2.756 122.660 119.914 -0.015 0.000 2.686 179 V HA 0.238 4.337 4.120 -0.036 0.000 0.306 179 V C -0.769 175.302 176.094 -0.038 0.000 1.065 179 V CA -1.071 61.199 62.300 -0.050 0.000 0.894 179 V CB 2.298 34.071 31.823 -0.084 0.000 1.004 179 V HN 0.670 nan 8.190 nan 0.000 0.424 180 D N 3.114 123.497 120.400 -0.028 0.000 2.365 180 D HA 0.157 4.776 4.640 -0.036 0.000 0.237 180 D C 0.959 177.255 176.300 -0.007 0.000 1.190 180 D CA -0.112 53.879 54.000 -0.016 0.000 0.867 180 D CB 1.904 42.699 40.800 -0.009 0.000 1.050 180 D HN 0.469 nan 8.370 nan 0.000 0.491 181 V N 2.191 122.105 119.914 -0.001 0.000 3.573 181 V HA -0.020 4.079 4.120 -0.036 0.000 0.270 181 V C 1.476 177.595 176.094 0.042 0.000 1.221 181 V CA 0.334 62.643 62.300 0.015 0.000 1.163 181 V CB -0.102 31.730 31.823 0.014 0.000 0.847 181 V HN 0.364 nan 8.190 nan 0.000 0.468 182 V N 1.350 121.294 119.914 0.049 0.000 2.521 182 V HA -0.037 4.062 4.120 -0.036 0.000 0.239 182 V C 2.785 178.905 176.094 0.044 0.000 1.053 182 V CA 1.759 64.105 62.300 0.076 0.000 1.073 182 V CB -0.039 31.842 31.823 0.097 0.000 0.746 182 V HN 0.688 nan 8.190 nan 0.000 0.476 183 S N -0.587 115.129 115.700 0.027 0.000 2.522 183 S HA -0.061 4.388 4.470 -0.036 0.000 0.227 183 S C 0.864 175.471 174.600 0.012 0.000 0.986 183 S CA 0.414 58.624 58.200 0.016 0.000 0.929 183 S CB -0.453 62.752 63.200 0.009 0.000 0.769 183 S HN 0.564 nan 8.310 nan 0.000 0.529 184 K N 1.057 121.464 120.400 0.011 0.000 3.393 184 K HA -0.141 4.158 4.320 -0.036 0.000 0.272 184 K C -0.980 175.616 176.600 -0.007 0.000 1.004 184 K CA 0.830 57.120 56.287 0.004 0.000 0.764 184 K CB -1.648 30.858 32.500 0.011 0.000 1.373 184 K HN 0.697 nan 8.250 nan 0.000 0.458 185 E N -0.245 119.947 120.200 -0.013 0.000 2.266 185 E HA 0.366 4.695 4.350 -0.036 0.000 0.268 185 E C -0.636 175.944 176.600 -0.034 0.000 0.879 185 E CA -1.140 55.248 56.400 -0.019 0.000 0.762 185 E CB 2.339 32.033 29.700 -0.011 0.000 1.199 185 E HN -0.030 nan 8.360 nan 0.000 0.422 186 V N 2.840 122.728 119.914 -0.043 0.000 2.389 186 V HA 0.011 4.110 4.120 -0.036 0.000 0.264 186 V C 1.354 177.421 176.094 -0.045 0.000 1.049 186 V CA 0.266 62.529 62.300 -0.061 0.000 0.932 186 V CB 0.562 32.338 31.823 -0.077 0.000 1.011 186 V HN 0.960 nan 8.190 nan 0.000 0.475 187 T N 2.516 117.047 114.554 -0.039 0.000 2.896 187 T HA 0.104 4.432 4.350 -0.036 0.000 0.263 187 T C 0.843 175.506 174.700 -0.062 0.000 1.050 187 T CA 0.470 62.552 62.100 -0.029 0.000 1.140 187 T CB 0.358 69.223 68.868 -0.005 0.000 0.877 187 T HN 0.478 nan 8.240 nan 0.000 0.457 188 R N -0.398 120.028 120.500 -0.125 0.000 2.604 188 R HA 0.603 4.921 4.340 -0.036 0.000 0.270 188 R C -2.375 173.744 176.300 -0.302 0.000 1.052 188 R CA -0.599 55.356 56.100 -0.241 0.000 0.902 188 R CB 2.648 32.712 30.300 -0.395 0.000 1.233 188 R HN 0.107 nan 8.270 nan 0.000 0.455 189 V N 5.333 125.125 119.914 -0.202 0.000 2.443 189 V HA 0.476 4.574 4.120 -0.036 0.000 0.293 189 V C -0.322 175.697 176.094 -0.125 0.000 1.021 189 V CA -0.602 61.631 62.300 -0.112 0.000 0.848 189 V CB 1.761 33.620 31.823 0.059 0.000 0.998 189 V HN 0.599 nan 8.190 nan 0.000 0.424 190 I N 4.041 124.518 120.570 -0.155 0.000 2.339 190 I HA 0.445 4.593 4.170 -0.036 0.000 0.290 190 I C -0.789 175.312 176.117 -0.027 0.000 0.994 190 I CA -0.181 61.060 61.300 -0.099 0.000 1.191 190 I CB 1.695 39.617 38.000 -0.129 0.000 1.343 190 I HN 0.521 nan 8.210 nan 0.000 0.458 191 D N 4.644 125.034 120.400 -0.018 0.000 2.462 191 D HA 0.168 4.786 4.640 -0.036 0.000 0.245 191 D C 0.872 177.177 176.300 0.009 0.000 1.122 191 D CA -0.368 53.626 54.000 -0.010 0.000 0.864 191 D CB 1.496 42.273 40.800 -0.037 0.000 1.098 191 D HN 0.618 nan 8.370 nan 0.000 0.541 192 T N 0.436 115.016 114.554 0.043 0.000 3.107 192 T HA 0.474 4.803 4.350 -0.036 0.000 0.249 192 T C 0.925 175.645 174.700 0.035 0.000 1.096 192 T CA 0.290 62.422 62.100 0.053 0.000 1.012 192 T CB 0.142 69.068 68.868 0.097 0.000 0.977 192 T HN 0.576 nan 8.240 nan 0.000 0.527 193 G N 0.851 109.667 108.800 0.026 0.000 2.335 193 G HA2 0.300 4.239 3.960 -0.036 0.000 0.592 193 G HA3 0.300 4.239 3.960 -0.036 0.000 0.592 193 G C -0.774 174.113 174.900 -0.021 0.000 1.442 193 G CA -0.626 44.450 45.100 -0.041 0.000 0.976 193 G HN 1.022 nan 8.290 nan 0.000 0.652 194 V N -1.140 118.723 119.914 -0.085 0.000 2.637 194 V HA 0.805 4.903 4.120 -0.036 0.000 0.296 194 V C -0.062 175.947 176.094 -0.141 0.000 1.046 194 V CA -0.518 61.755 62.300 -0.046 0.000 1.066 194 V CB 0.597 32.383 31.823 -0.062 0.000 0.968 194 V HN 0.762 nan 8.190 nan 0.000 0.483 195 F N 3.471 123.386 119.950 -0.058 0.000 2.522 195 F HA 0.703 5.201 4.527 -0.049 0.000 0.324 195 F C -1.983 173.792 175.800 -0.041 0.000 1.077 195 F CA -2.465 55.507 58.000 -0.047 0.000 0.944 195 F CB 1.579 40.550 39.000 -0.048 0.000 1.175 195 F HN 0.405 nan 8.300 nan 0.000 0.468 196 P HA 0.096 nan 4.420 nan 0.000 0.264 196 P C -0.837 176.523 177.300 0.100 0.000 1.193 196 P CA -0.115 63.040 63.100 0.092 0.000 0.763 196 P CB 0.396 32.143 31.700 0.078 0.000 0.810 197 V N 6.736 126.687 119.914 0.062 0.000 2.427 197 V HA 0.153 4.252 4.120 -0.036 0.000 0.268 197 V C -1.794 174.357 176.094 0.096 0.000 1.046 197 V CA -1.450 60.885 62.300 0.059 0.000 0.970 197 V CB 0.285 32.123 31.823 0.025 0.000 1.001 197 V HN 0.571 nan 8.190 nan 0.000 0.476 198 P HA 0.105 nan 4.420 nan 0.000 0.264 198 P C 0.393 177.853 177.300 0.267 0.000 1.183 198 P CA 0.173 63.356 63.100 0.138 0.000 0.763 198 P CB 0.876 32.620 31.700 0.073 0.000 0.807 199 A N 3.072 126.013 122.820 0.202 0.000 2.014 199 A HA 0.020 4.319 4.320 -0.036 0.000 0.210 199 A C 0.785 178.552 177.584 0.306 0.000 1.188 199 A CA 0.348 52.514 52.037 0.215 0.000 0.731 199 A CB -0.435 18.634 19.000 0.116 0.000 0.858 199 A HN 0.569 nan 8.150 nan 0.000 0.464 200 E N 1.078 121.412 120.200 0.223 0.000 2.414 200 E HA 0.194 4.523 4.350 -0.036 0.000 0.263 200 E C -0.278 176.476 176.600 0.256 0.000 1.000 200 E CA -0.068 56.439 56.400 0.178 0.000 0.914 200 E CB 0.317 30.078 29.700 0.102 0.000 0.948 200 E HN 0.748 nan 8.360 nan 0.000 0.444 201 H N -0.021 119.207 119.070 0.264 0.000 2.607 201 H HA 0.377 4.910 4.556 -0.040 0.000 0.367 201 H C 0.549 175.971 175.328 0.157 0.000 1.181 201 H CA -0.644 55.526 56.048 0.203 0.000 1.402 201 H CB 0.960 30.856 29.762 0.224 0.000 1.474 201 H HN 0.488 nan 8.280 nan 0.000 0.596 202 G N 1.713 110.679 108.800 0.276 0.000 4.547 202 G HA2 0.055 3.994 3.960 -0.036 0.000 0.301 202 G HA3 0.055 3.994 3.960 -0.036 0.000 0.301 202 G C -0.637 174.262 174.900 -0.002 0.000 1.240 202 G CA -0.674 44.456 45.100 0.049 0.000 0.970 202 G HN 0.636 nan 8.290 nan 0.000 0.574 203 N N 1.639 120.471 118.700 0.220 0.000 2.482 203 N HA 0.129 4.848 4.740 -0.036 0.000 0.242 203 N C 0.604 176.023 175.510 -0.151 0.000 1.100 203 N CA -0.409 52.547 53.050 -0.156 0.000 0.946 203 N CB 0.726 39.101 38.487 -0.186 0.000 1.227 203 N HN 0.539 nan 8.380 nan 0.000 0.508 204 Y N -0.484 119.807 120.300 -0.016 0.000 2.578 204 Y HA 0.063 4.592 4.550 -0.035 0.000 0.297 204 Y C 1.734 177.627 175.900 -0.012 0.000 1.176 204 Y CA 0.067 58.144 58.100 -0.039 0.000 1.315 204 Y CB -0.493 37.906 38.460 -0.102 0.000 1.031 204 Y HN 0.291 nan 8.280 nan 0.000 0.524 205 T N -4.097 110.407 114.554 -0.084 0.000 3.054 205 T HA 0.063 4.391 4.350 -0.036 0.000 0.255 205 T C 0.113 174.803 174.700 -0.017 0.000 1.035 205 T CA -0.231 61.863 62.100 -0.010 0.000 0.941 205 T CB -0.202 68.651 68.868 -0.024 0.000 1.026 205 T HN 0.172 nan 8.240 nan 0.000 0.533 206 D N 2.954 123.337 120.400 -0.027 0.000 2.371 206 D HA 0.219 4.838 4.640 -0.036 0.000 0.256 206 D C -1.584 174.738 176.300 0.037 0.000 1.193 206 D CA -2.363 51.630 54.000 -0.013 0.000 0.881 206 D CB 1.794 42.561 40.800 -0.056 0.000 1.143 206 D HN 0.009 nan 8.370 nan 0.000 0.473 207 P HA -0.150 nan 4.420 nan 0.000 0.218 207 P C 1.078 178.409 177.300 0.051 0.000 1.146 207 P CA 0.813 63.933 63.100 0.033 0.000 0.813 207 P CB 0.237 31.947 31.700 0.017 0.000 0.778 208 E N -0.752 119.489 120.200 0.069 0.000 2.110 208 E HA -0.196 4.133 4.350 -0.036 0.000 0.193 208 E C 1.647 178.313 176.600 0.110 0.000 0.988 208 E CA 0.928 57.385 56.400 0.094 0.000 0.804 208 E CB -0.311 29.469 29.700 0.133 0.000 0.745 208 E HN 0.107 nan 8.360 nan 0.000 0.458 209 L N 0.286 121.594 121.223 0.143 0.000 2.221 209 L HA -0.026 4.293 4.340 -0.036 0.000 0.202 209 L C 2.527 179.443 176.870 0.076 0.000 1.074 209 L CA 2.004 56.914 54.840 0.117 0.000 0.795 209 L CB -0.492 41.679 42.059 0.186 0.000 0.960 209 L HN 0.198 nan 8.230 nan 0.000 0.458 210 T N -2.724 111.874 114.554 0.073 0.000 2.951 210 T HA 0.316 4.644 4.350 -0.036 0.000 0.268 210 T C 1.231 175.955 174.700 0.041 0.000 1.073 210 T CA 0.521 62.653 62.100 0.053 0.000 1.134 210 T CB -0.902 67.996 68.868 0.051 0.000 0.884 210 T HN 0.693 nan 8.240 nan 0.000 0.479 211 G N 2.114 110.938 108.800 0.041 0.000 2.752 211 G HA2 -0.086 3.853 3.960 -0.036 0.000 0.234 211 G HA3 -0.086 3.853 3.960 -0.036 0.000 0.234 211 G C -2.777 172.138 174.900 0.026 0.000 1.367 211 G CA -0.668 44.451 45.100 0.032 0.000 0.879 211 G HN 0.551 nan 8.290 nan 0.000 0.563 212 P HA 0.336 nan 4.420 nan 0.000 0.264 212 P C 0.565 177.874 177.300 0.016 0.000 1.193 212 P CA -0.138 62.972 63.100 0.016 0.000 0.763 212 P CB 0.307 32.015 31.700 0.013 0.000 0.810 213 L N 3.597 124.829 121.223 0.014 0.000 2.461 213 L HA 0.174 4.493 4.340 -0.036 0.000 0.272 213 L C 1.371 178.247 176.870 0.010 0.000 1.197 213 L CA -0.269 54.579 54.840 0.013 0.000 0.836 213 L CB 0.101 42.167 42.059 0.013 0.000 1.105 213 L HN 0.341 nan 8.230 nan 0.000 0.477 214 R N 0.694 121.199 120.500 0.008 0.000 2.570 214 R HA 0.025 4.343 4.340 -0.036 0.000 0.277 214 R C 0.758 177.061 176.300 0.005 0.000 1.039 214 R CA 0.401 56.504 56.100 0.006 0.000 1.065 214 R CB 0.278 30.581 30.300 0.004 0.000 0.964 214 R HN 0.717 nan 8.270 nan 0.000 0.428 215 T N -3.237 111.319 114.554 0.004 0.000 3.129 215 T HA 0.007 4.335 4.350 -0.036 0.000 0.267 215 T C 1.195 175.896 174.700 0.002 0.000 1.018 215 T CA 0.004 62.106 62.100 0.003 0.000 0.903 215 T CB 0.301 69.171 68.868 0.003 0.000 1.067 215 T HN 0.667 nan 8.240 nan 0.000 0.549 216 T N -1.036 113.518 114.554 0.001 0.000 3.044 216 T HA 0.194 4.522 4.350 -0.036 0.000 0.250 216 T C 0.677 175.377 174.700 -0.002 0.000 1.081 216 T CA -0.227 61.873 62.100 -0.000 0.000 1.040 216 T CB -0.219 68.648 68.868 -0.001 0.000 0.962 216 T HN 0.392 nan 8.240 nan 0.000 0.506 217 Q N 2.285 122.084 119.800 -0.001 0.000 2.361 217 Q HA 0.273 4.592 4.340 -0.036 0.000 0.250 217 Q C -0.325 175.675 176.000 -0.001 0.000 1.023 217 Q CA -0.221 55.581 55.803 -0.002 0.000 0.915 217 Q CB 0.875 29.612 28.738 -0.002 0.000 1.238 217 Q HN 0.348 nan 8.270 nan 0.000 0.451 218 K N 2.914 123.313 120.400 -0.002 0.000 2.154 218 K HA 0.361 4.659 4.320 -0.036 0.000 0.264 218 K C -2.135 174.464 176.600 -0.001 0.000 1.008 218 K CA -1.711 54.575 56.287 -0.001 0.000 0.937 218 K CB 0.009 32.508 32.500 -0.002 0.000 1.002 218 K HN 0.358 nan 8.250 nan 0.000 0.469 219 P HA 0.176 nan 4.420 nan 0.000 0.269 219 P C -0.480 176.821 177.300 0.002 0.000 1.209 219 P CA 0.033 63.134 63.100 0.002 0.000 0.776 219 P CB 0.393 32.095 31.700 0.003 0.000 0.876 220 I N 0.985 121.557 120.570 0.003 0.000 2.389 220 I HA 0.238 4.386 4.170 -0.036 0.000 0.288 220 I C 0.157 176.278 176.117 0.007 0.000 0.999 220 I CA -0.488 60.814 61.300 0.004 0.000 1.129 220 I CB 1.709 39.711 38.000 0.004 0.000 1.288 220 I HN 0.229 nan 8.210 nan 0.000 0.444 221 S N 7.756 123.461 115.700 0.009 0.000 2.438 221 S HA 0.631 5.080 4.470 -0.036 0.000 0.316 221 S C -0.631 173.980 174.600 0.017 0.000 1.084 221 S CA -0.493 57.714 58.200 0.012 0.000 1.107 221 S CB 0.335 63.541 63.200 0.011 0.000 0.981 221 S HN 0.452 nan 8.310 nan 0.000 0.466 222 I N 5.349 125.931 120.570 0.020 0.000 2.354 222 I HA 0.372 4.520 4.170 -0.036 0.000 0.286 222 I C 0.226 176.361 176.117 0.030 0.000 1.007 222 I CA -0.380 60.938 61.300 0.030 0.000 1.167 222 I CB 1.776 39.799 38.000 0.037 0.000 1.320 222 I HN 0.678 nan 8.210 nan 0.000 0.458 223 T N 1.925 116.499 114.554 0.034 0.000 2.901 223 T HA 0.532 4.860 4.350 -0.036 0.000 0.293 223 T C -0.721 174.002 174.700 0.038 0.000 1.084 223 T CA -0.920 61.198 62.100 0.031 0.000 1.008 223 T CB 2.241 71.123 68.868 0.023 0.000 1.170 223 T HN 0.487 nan 8.240 nan 0.000 0.509 224 Q N 1.371 121.191 119.800 0.033 0.000 2.490 224 Q HA 0.274 4.593 4.340 -0.036 0.000 0.255 224 Q C -1.982 174.028 176.000 0.017 0.000 0.997 224 Q CA -2.011 53.811 55.803 0.032 0.000 0.709 224 Q CB 2.190 30.950 28.738 0.036 0.000 1.255 224 Q HN 0.553 nan 8.270 nan 0.000 0.486 225 P HA -0.133 nan 4.420 nan 0.000 0.223 225 P C 0.148 177.451 177.300 0.005 0.000 1.151 225 P CA 1.110 64.216 63.100 0.010 0.000 0.787 225 P CB 0.495 32.202 31.700 0.011 0.000 0.788 226 E N -0.332 119.870 120.200 0.004 0.000 2.465 226 E HA 0.362 4.691 4.350 -0.036 0.000 0.195 226 E C 0.822 177.411 176.600 -0.017 0.000 1.028 226 E CA -0.023 56.375 56.400 -0.004 0.000 0.899 226 E CB 0.112 29.812 29.700 0.000 0.000 1.032 226 E HN 0.188 nan 8.360 nan 0.000 0.468 227 G N 2.755 111.543 108.800 -0.021 0.000 2.760 227 G HA2 -0.198 3.741 3.960 -0.036 0.000 0.246 227 G HA3 -0.198 3.741 3.960 -0.036 0.000 0.246 227 G C -2.746 172.112 174.900 -0.071 0.000 1.359 227 G CA -0.891 44.177 45.100 -0.053 0.000 0.861 227 G HN 0.026 nan 8.290 nan 0.000 0.541 228 P HA 0.430 nan 4.420 nan 0.000 0.276 228 P C 0.534 177.729 177.300 -0.174 0.000 1.244 228 P CA -0.026 62.938 63.100 -0.228 0.000 0.801 228 P CB 1.431 32.710 31.700 -0.702 0.000 1.006 229 S N -0.015 115.714 115.700 0.049 0.000 2.558 229 S HA 0.107 4.556 4.470 -0.036 0.000 0.217 229 S C 0.719 175.483 174.600 0.273 0.000 0.975 229 S CA 0.127 58.424 58.200 0.161 0.000 0.912 229 S CB -0.800 62.554 63.200 0.257 0.000 0.776 229 S HN 0.574 nan 8.310 nan 0.000 0.526 230 F N 2.217 122.357 119.950 0.317 0.000 2.377 230 F HA 0.717 5.222 4.527 -0.036 0.000 0.328 230 F C 0.197 176.078 175.800 0.136 0.000 1.094 230 F CA -1.109 57.056 58.000 0.274 0.000 1.093 230 F CB 0.287 39.415 39.000 0.215 0.000 1.214 230 F HN -0.149 nan 8.300 nan 0.000 0.518 231 T N 0.001 114.733 114.554 0.296 0.000 2.885 231 T HA 0.733 5.061 4.350 -0.036 0.000 0.285 231 T C -1.002 173.855 174.700 0.261 0.000 1.019 231 T CA -0.827 61.381 62.100 0.180 0.000 1.010 231 T CB 1.517 70.463 68.868 0.131 0.000 1.022 231 T HN 0.663 nan 8.240 nan 0.000 0.466 232 V N 3.244 123.282 119.914 0.207 0.000 2.409 232 V HA 0.713 4.812 4.120 -0.036 0.000 0.291 232 V C 0.358 176.542 176.094 0.150 0.000 1.020 232 V CA -0.670 61.743 62.300 0.189 0.000 0.848 232 V CB 1.295 33.233 31.823 0.192 0.000 0.990 232 V HN 1.288 nan 8.190 nan 0.000 0.430 233 T N 0.076 114.734 114.554 0.173 0.000 2.906 233 T HA 0.673 5.001 4.350 -0.036 0.000 0.295 233 T C 0.765 175.550 174.700 0.142 0.000 1.075 233 T CA -0.096 62.090 62.100 0.144 0.000 1.005 233 T CB 1.750 70.704 68.868 0.143 0.000 1.136 233 T HN 1.730 nan 8.240 nan 0.000 0.498 234 G N -0.035 108.821 108.800 0.093 0.000 2.283 234 G HA2 0.117 4.055 3.960 -0.036 0.000 0.280 234 G HA3 0.117 4.055 3.960 -0.036 0.000 0.280 234 G C 1.316 176.269 174.900 0.087 0.000 1.029 234 G CA 0.982 46.129 45.100 0.078 0.000 0.840 234 G HN 2.406 nan 8.290 nan 0.000 0.505 235 G N -0.216 108.636 108.800 0.086 0.000 2.458 235 G HA2 -0.278 3.661 3.960 -0.036 0.000 0.237 235 G HA3 -0.278 3.661 3.960 -0.036 0.000 0.237 235 G C 0.924 175.877 174.900 0.088 0.000 1.113 235 G CA 1.321 46.468 45.100 0.079 0.000 0.655 235 G HN 2.235 nan 8.290 nan 0.000 0.513 236 N N -0.305 118.460 118.700 0.108 0.000 2.110 236 N HA 0.141 4.860 4.740 -0.036 0.000 0.230 236 N C -0.276 175.301 175.510 0.111 0.000 1.353 236 N CA 0.455 53.562 53.050 0.094 0.000 0.807 236 N CB -0.275 38.264 38.487 0.086 0.000 1.244 236 N HN 0.572 nan 8.380 nan 0.000 0.504 237 H N 1.670 120.774 119.070 0.057 0.000 2.604 237 H HA 0.462 4.997 4.556 -0.036 0.000 0.306 237 H C -0.387 174.984 175.328 0.072 0.000 1.075 237 H CA -0.265 55.816 56.048 0.053 0.000 1.357 237 H CB 0.496 30.291 29.762 0.056 0.000 1.426 237 H HN 0.008 nan 8.280 nan 0.000 0.470 238 I N 4.813 125.163 120.570 -0.367 0.000 2.412 238 I HA 0.287 4.436 4.170 -0.036 0.000 0.296 238 I C -0.064 175.921 176.117 -0.220 0.000 0.987 238 I CA -0.695 60.498 61.300 -0.179 0.000 1.180 238 I CB 1.470 39.375 38.000 -0.159 0.000 1.340 238 I HN 0.679 nan 8.210 nan 0.000 0.455 239 E N 5.021 125.247 120.200 0.044 0.000 2.256 239 E HA 0.394 4.723 4.350 -0.036 0.000 0.268 239 E C -1.804 174.985 176.600 0.314 0.000 0.877 239 E CA -0.587 55.891 56.400 0.130 0.000 0.757 239 E CB 3.068 32.845 29.700 0.128 0.000 1.183 239 E HN 0.620 nan 8.360 nan 0.000 0.418 240 W N 3.579 124.939 121.300 0.100 0.000 3.423 240 W HA 0.130 4.769 4.660 -0.035 0.000 0.330 240 W C -0.682 175.929 176.519 0.153 0.000 1.102 240 W CA -0.333 57.098 57.345 0.144 0.000 1.261 240 W CB 0.786 30.329 29.460 0.138 0.000 1.283 240 W HN 0.403 nan 8.180 nan 0.000 0.447 241 E N 6.076 125.957 120.200 -0.531 0.000 2.228 241 E HA -0.307 4.022 4.350 -0.036 0.000 0.213 241 E C 0.596 176.893 176.600 -0.506 0.000 1.282 241 E CA 1.746 57.734 56.400 -0.686 0.000 0.707 241 E CB -1.033 27.831 29.700 -1.394 0.000 1.150 241 E HN 0.869 nan 8.360 nan 0.000 0.362 242 K N -4.370 115.765 120.400 -0.442 0.000 3.615 242 K HA -0.239 4.059 4.320 -0.036 0.000 0.269 242 K C 0.266 176.439 176.600 -0.712 0.000 1.107 242 K CA 1.767 57.623 56.287 -0.717 0.000 1.059 242 K CB -1.567 30.150 32.500 -1.304 0.000 1.317 242 K HN 0.253 nan 8.250 nan 0.000 0.494 243 W N 2.688 123.785 121.300 -0.340 0.000 2.251 243 W HA 0.341 4.980 4.660 -0.035 0.000 0.329 243 W C 0.990 177.488 176.519 -0.035 0.000 1.234 243 W CA 0.261 57.559 57.345 -0.079 0.000 1.228 243 W CB 1.036 30.591 29.460 0.159 0.000 1.135 243 W HN 0.155 nan 8.180 nan 0.000 0.576 244 S N 3.637 119.493 115.700 0.260 0.000 2.546 244 S HA 0.887 5.335 4.470 -0.036 0.000 0.274 244 S C -1.039 173.579 174.600 0.031 0.000 1.121 244 S CA -1.026 57.218 58.200 0.074 0.000 0.887 244 S CB 1.437 64.688 63.200 0.085 0.000 1.094 244 S HN 0.776 nan 8.310 nan 0.000 0.474 245 L N -1.190 119.939 121.223 -0.157 0.000 2.999 245 L HA 0.748 5.066 4.340 -0.036 0.000 0.274 245 L C -2.300 174.472 176.870 -0.164 0.000 1.044 245 L CA -1.087 53.677 54.840 -0.125 0.000 0.943 245 L CB 1.553 43.535 42.059 -0.128 0.000 1.522 245 L HN 0.578 nan 8.230 nan 0.000 0.400 246 D N 1.316 121.677 120.400 -0.064 0.000 2.505 246 D HA 0.474 5.093 4.640 -0.036 0.000 0.249 246 D C -0.817 175.498 176.300 0.024 0.000 1.082 246 D CA -0.270 53.745 54.000 0.025 0.000 0.839 246 D CB 3.306 44.157 40.800 0.083 0.000 1.317 246 D HN 0.339 nan 8.370 nan 0.000 0.497 247 V N 2.174 122.100 119.914 0.019 0.000 2.334 247 V HA 0.423 4.521 4.120 -0.036 0.000 0.267 247 V C 0.991 177.141 176.094 0.094 0.000 1.040 247 V CA -0.439 61.862 62.300 0.001 0.000 0.866 247 V CB 1.008 32.808 31.823 -0.037 0.000 1.019 247 V HN 0.592 nan 8.190 nan 0.000 0.468 248 G N 3.150 112.042 108.800 0.154 0.000 2.502 248 G HA2 0.632 4.570 3.960 -0.036 0.000 0.305 248 G HA3 0.632 4.570 3.960 -0.036 0.000 0.305 248 G C -1.393 173.601 174.900 0.156 0.000 1.190 248 G CA -0.349 44.872 45.100 0.203 0.000 0.933 248 G HN 0.487 nan 8.290 nan 0.000 0.503 249 F N -0.039 119.891 119.950 -0.035 0.000 2.574 249 F HA 0.497 5.002 4.527 -0.036 0.000 0.313 249 F C -1.268 174.479 175.800 -0.089 0.000 1.130 249 F CA -0.961 56.969 58.000 -0.116 0.000 0.936 249 F CB 2.566 41.482 39.000 -0.140 0.000 1.219 249 F HN 0.533 nan 8.300 nan 0.000 0.445 250 D N 3.651 123.651 120.400 -0.667 0.000 2.619 250 D HA 0.324 4.943 4.640 -0.036 0.000 0.241 250 D C 0.088 176.017 176.300 -0.617 0.000 1.087 250 D CA -0.576 53.178 54.000 -0.410 0.000 0.851 250 D CB 2.461 43.150 40.800 -0.185 0.000 1.474 250 D HN 0.364 nan 8.370 nan 0.000 0.478 251 V N 3.983 123.723 119.914 -0.289 0.000 2.626 251 V HA -0.101 3.997 4.120 -0.036 0.000 0.252 251 V C 2.088 178.105 176.094 -0.128 0.000 1.067 251 V CA 2.022 64.201 62.300 -0.202 0.000 1.081 251 V CB -0.373 31.375 31.823 -0.125 0.000 0.686 251 V HN 0.613 nan 8.190 nan 0.000 0.468 252 R N -0.334 120.152 120.500 -0.022 0.000 2.048 252 R HA -0.057 4.262 4.340 -0.036 0.000 0.224 252 R C 2.241 178.481 176.300 -0.101 0.000 1.163 252 R CA 1.755 57.834 56.100 -0.034 0.000 0.956 252 R CB -0.236 30.012 30.300 -0.086 0.000 0.849 252 R HN 0.562 nan 8.270 nan 0.000 0.435 253 E N -0.538 119.583 120.200 -0.133 0.000 2.299 253 E HA 0.103 4.432 4.350 -0.036 0.000 0.193 253 E C 0.771 177.200 176.600 -0.286 0.000 0.998 253 E CA 0.386 56.712 56.400 -0.122 0.000 0.851 253 E CB 0.421 30.094 29.700 -0.045 0.000 0.795 253 E HN 0.581 nan 8.360 nan 0.000 0.492 254 G N 0.764 109.189 108.800 -0.625 0.000 2.498 254 G HA2 -0.305 3.633 3.960 -0.036 0.000 0.245 254 G HA3 -0.305 3.633 3.960 -0.036 0.000 0.245 254 G C -0.069 174.240 174.900 -0.985 0.000 1.204 254 G CA -0.320 44.072 45.100 -1.180 0.000 0.933 254 G HN 0.112 nan 8.290 nan 0.000 0.574 255 V N 0.768 120.279 119.914 -0.672 0.000 2.529 255 V HA 0.407 4.505 4.120 -0.036 0.000 0.292 255 V C 0.805 176.836 176.094 -0.105 0.000 1.028 255 V CA 0.216 62.435 62.300 -0.135 0.000 1.074 255 V CB 0.948 32.864 31.823 0.155 0.000 0.958 255 V HN 0.869 nan 8.190 nan 0.000 0.481 256 V N 6.802 126.604 119.914 -0.188 0.000 2.540 256 V HA 0.467 4.566 4.120 -0.036 0.000 0.302 256 V C -0.175 175.633 176.094 -0.477 0.000 1.035 256 V CA -0.650 61.447 62.300 -0.338 0.000 0.873 256 V CB 1.904 33.534 31.823 -0.322 0.000 0.992 256 V HN 0.611 nan 8.190 nan 0.000 0.428 257 L N 5.067 125.885 121.223 -0.676 0.000 2.282 257 L HA 0.609 4.927 4.340 -0.036 0.000 0.288 257 L C -0.347 176.155 176.870 -0.612 0.000 1.033 257 L CA -0.527 53.948 54.840 -0.608 0.000 0.807 257 L CB 0.867 42.482 42.059 -0.740 0.000 1.209 257 L HN 0.615 nan 8.230 nan 0.000 0.423 258 H N 3.854 122.761 119.070 -0.273 0.000 2.569 258 H HA 0.284 4.819 4.556 -0.036 0.000 0.357 258 H C -0.154 174.971 175.328 -0.337 0.000 1.153 258 H CA -0.684 55.176 56.048 -0.314 0.000 1.193 258 H CB 1.888 31.417 29.762 -0.389 0.000 1.602 258 H HN 0.581 nan 8.280 nan 0.000 0.523 259 N N 1.301 119.870 118.700 -0.218 0.000 2.738 259 N HA -0.192 4.526 4.740 -0.036 0.000 0.249 259 N C -0.329 175.122 175.510 -0.097 0.000 1.047 259 N CA 0.436 53.367 53.050 -0.199 0.000 0.707 259 N CB -1.379 36.936 38.487 -0.286 0.000 0.937 259 N HN 0.569 nan 8.380 nan 0.000 0.545 260 I N 0.666 121.181 120.570 -0.092 0.000 2.581 260 I HA 0.214 4.363 4.170 -0.036 0.000 0.285 260 I C 1.024 177.195 176.117 0.089 0.000 1.129 260 I CA 0.343 61.651 61.300 0.014 0.000 1.397 260 I CB 0.400 38.384 38.000 -0.026 0.000 1.399 260 I HN 0.319 nan 8.210 nan 0.000 0.537 261 A N 6.965 129.903 122.820 0.197 0.000 2.566 261 A HA 0.813 5.112 4.320 -0.036 0.000 0.292 261 A C -1.606 176.120 177.584 0.237 0.000 1.112 261 A CA -0.451 51.691 52.037 0.175 0.000 0.707 261 A CB 1.647 20.706 19.000 0.098 0.000 1.302 261 A HN 0.507 nan 8.150 nan 0.000 0.409 262 F N 0.391 120.338 119.950 -0.004 0.000 2.539 262 F HA 0.612 5.117 4.527 -0.036 0.000 0.318 262 F C 0.140 175.947 175.800 0.013 0.000 1.135 262 F CA -0.411 57.515 58.000 -0.123 0.000 0.915 262 F CB 1.793 40.645 39.000 -0.247 0.000 1.176 262 F HN 0.620 nan 8.300 nan 0.000 0.440 263 R N 4.236 124.651 120.500 -0.142 0.000 2.248 263 R HA 0.193 4.512 4.340 -0.036 0.000 0.337 263 R C -1.313 175.070 176.300 0.139 0.000 1.106 263 R CA -0.226 55.873 56.100 -0.000 0.000 0.959 263 R CB 0.061 30.307 30.300 -0.091 0.000 1.075 263 R HN 0.594 nan 8.270 nan 0.000 0.480 264 D N 4.117 124.693 120.400 0.294 0.000 2.454 264 D HA 0.319 4.937 4.640 -0.036 0.000 0.225 264 D C 0.794 177.188 176.300 0.157 0.000 1.081 264 D CA 0.844 55.045 54.000 0.334 0.000 0.864 264 D CB 1.077 42.133 40.800 0.427 0.000 1.040 264 D HN 0.755 nan 8.370 nan 0.000 0.517 265 G N 4.760 113.624 108.800 0.106 0.000 2.565 265 G HA2 -0.367 3.571 3.960 -0.036 0.000 0.295 265 G HA3 -0.367 3.571 3.960 -0.036 0.000 0.295 265 G C 0.813 175.737 174.900 0.039 0.000 1.165 265 G CA 0.389 45.523 45.100 0.056 0.000 0.977 265 G HN 0.530 nan 8.290 nan 0.000 0.546 266 D N 1.493 121.913 120.400 0.032 0.000 2.350 266 D HA 0.126 4.745 4.640 -0.036 0.000 0.213 266 D C 1.264 177.580 176.300 0.027 0.000 1.031 266 D CA 0.295 54.309 54.000 0.023 0.000 0.861 266 D CB 0.052 40.862 40.800 0.015 0.000 0.926 266 D HN 0.430 nan 8.370 nan 0.000 0.520 267 R N 0.471 120.994 120.500 0.039 0.000 2.294 267 R HA 0.338 4.656 4.340 -0.036 0.000 0.319 267 R C -0.650 175.687 176.300 0.062 0.000 0.984 267 R CA -0.982 55.141 56.100 0.038 0.000 0.861 267 R CB 1.810 32.123 30.300 0.023 0.000 1.104 267 R HN -0.030 nan 8.270 nan 0.000 0.451 268 L N 4.297 125.551 121.223 0.052 0.000 2.295 268 L HA 0.216 4.534 4.340 -0.036 0.000 0.288 268 L C -0.377 176.537 176.870 0.073 0.000 1.079 268 L CA 0.193 55.073 54.840 0.068 0.000 0.830 268 L CB 0.236 42.325 42.059 0.051 0.000 1.200 268 L HN 0.444 nan 8.230 nan 0.000 0.438 269 R N 6.422 127.000 120.500 0.130 0.000 2.215 269 R HA 0.426 4.745 4.340 -0.036 0.000 0.336 269 R C -2.327 174.067 176.300 0.156 0.000 0.996 269 R CA -1.809 54.376 56.100 0.141 0.000 0.847 269 R CB 0.710 31.130 30.300 0.200 0.000 1.127 269 R HN 0.459 nan 8.270 nan 0.000 0.465 270 P HA 0.057 nan 4.420 nan 0.000 0.269 270 P C -0.005 177.286 177.300 -0.014 0.000 1.209 270 P CA 0.217 63.303 63.100 -0.024 0.000 0.776 270 P CB 0.834 32.438 31.700 -0.159 0.000 0.876 271 I N 0.750 121.256 120.570 -0.107 0.000 3.746 271 I HA 0.233 4.381 4.170 -0.036 0.000 0.262 271 I C 0.482 176.458 176.117 -0.235 0.000 1.153 271 I CA 0.276 61.423 61.300 -0.255 0.000 1.395 271 I CB 0.297 38.039 38.000 -0.429 0.000 1.589 271 I HN 0.137 nan 8.210 nan 0.000 0.441 272 I N 1.155 121.616 120.570 -0.182 0.000 2.466 272 I HA 0.181 4.330 4.170 -0.036 0.000 0.289 272 I C 0.372 176.393 176.117 -0.160 0.000 1.026 272 I CA -0.232 60.968 61.300 -0.165 0.000 1.078 272 I CB 2.058 39.965 38.000 -0.155 0.000 1.249 272 I HN 0.013 nan 8.210 nan 0.000 0.429 273 N N 4.598 123.214 118.700 -0.140 0.000 2.171 273 N HA 0.021 4.739 4.740 -0.036 0.000 0.184 273 N C 0.374 175.820 175.510 -0.106 0.000 1.021 273 N CA 1.348 54.340 53.050 -0.096 0.000 0.854 273 N CB 0.385 38.904 38.487 0.053 0.000 0.994 273 N HN 0.533 nan 8.380 nan 0.000 0.426 274 R N -0.594 119.821 120.500 -0.143 0.000 2.535 274 R HA 0.597 4.915 4.340 -0.036 0.000 0.274 274 R C -2.064 174.070 176.300 -0.276 0.000 1.090 274 R CA -0.635 55.325 56.100 -0.233 0.000 0.930 274 R CB 1.490 31.701 30.300 -0.147 0.000 1.223 274 R HN 0.090 nan 8.270 nan 0.000 0.441 275 A N 2.322 124.902 122.820 -0.400 0.000 2.343 275 A HA 0.714 5.013 4.320 -0.036 0.000 0.308 275 A C -1.029 176.316 177.584 -0.398 0.000 1.092 275 A CA -0.467 51.334 52.037 -0.394 0.000 0.751 275 A CB 1.524 20.152 19.000 -0.620 0.000 1.203 275 A HN 0.789 nan 8.150 nan 0.000 0.452 276 S N 1.464 117.108 115.700 -0.094 0.000 2.596 276 S HA 0.685 5.133 4.470 -0.036 0.000 0.270 276 S C -1.011 173.719 174.600 0.217 0.000 1.155 276 S CA -0.743 57.494 58.200 0.061 0.000 0.827 276 S CB 0.941 64.108 63.200 -0.054 0.000 1.130 276 S HN 0.538 nan 8.310 nan 0.000 0.467 277 I N 2.247 122.965 120.570 0.247 0.000 2.281 277 I HA 0.391 4.539 4.170 -0.036 0.000 0.293 277 I C 1.265 177.483 176.117 0.169 0.000 1.085 277 I CA -0.458 60.969 61.300 0.212 0.000 1.257 277 I CB 0.166 38.367 38.000 0.336 0.000 1.430 277 I HN 0.985 nan 8.210 nan 0.000 0.489 278 A N 5.113 128.017 122.820 0.139 0.000 2.178 278 A HA 0.163 4.462 4.320 -0.036 0.000 0.211 278 A C 0.732 178.392 177.584 0.127 0.000 1.157 278 A CA 0.707 52.853 52.037 0.181 0.000 0.780 278 A CB 0.177 19.302 19.000 0.209 0.000 0.828 278 A HN 0.634 nan 8.150 nan 0.000 0.476 279 E N -1.131 119.085 120.200 0.026 0.000 2.388 279 E HA 0.591 4.919 4.350 -0.036 0.000 0.280 279 E C -1.015 175.587 176.600 0.005 0.000 1.019 279 E CA -0.416 55.965 56.400 -0.033 0.000 0.806 279 E CB 1.112 30.641 29.700 -0.285 0.000 1.246 279 E HN 0.399 nan 8.360 nan 0.000 0.443 280 M N 1.828 121.446 119.600 0.030 0.000 2.371 280 M HA 0.751 5.210 4.480 -0.036 0.000 0.287 280 M C -1.696 174.518 176.300 -0.142 0.000 1.149 280 M CA -1.067 54.135 55.300 -0.164 0.000 0.929 280 M CB 2.127 34.498 32.600 -0.381 0.000 1.683 280 M HN 0.269 nan 8.290 nan 0.000 0.470 281 V N 3.082 122.830 119.914 -0.278 0.000 2.789 281 V HA 0.798 4.897 4.120 -0.036 0.000 0.311 281 V C -1.474 174.384 176.094 -0.393 0.000 1.073 281 V CA -0.500 61.526 62.300 -0.458 0.000 0.921 281 V CB 2.523 33.897 31.823 -0.749 0.000 1.009 281 V HN 0.817 nan 8.190 nan 0.000 0.426 282 V N 8.205 127.923 119.914 -0.326 0.000 2.276 282 V HA 0.426 4.525 4.120 -0.036 0.000 0.268 282 V C -2.449 173.441 176.094 -0.340 0.000 1.032 282 V CA -1.375 60.746 62.300 -0.298 0.000 0.810 282 V CB 1.312 33.082 31.823 -0.089 0.000 1.060 282 V HN 0.810 nan 8.190 nan 0.000 0.446 283 P HA 0.348 nan 4.420 nan 0.000 0.285 283 P C -1.249 175.841 177.300 -0.350 0.000 1.259 283 P CA -0.310 62.614 63.100 -0.293 0.000 0.794 283 P CB 0.971 32.521 31.700 -0.250 0.000 0.940 284 Y N 0.572 120.711 120.300 -0.268 0.000 2.334 284 Y HA 0.475 5.005 4.550 -0.034 0.000 0.328 284 Y C 1.775 177.591 175.900 -0.140 0.000 1.130 284 Y CA 0.272 58.250 58.100 -0.203 0.000 1.163 284 Y CB 1.389 39.647 38.460 -0.336 0.000 1.207 284 Y HN 0.484 nan 8.280 nan 0.000 0.471 285 G N 1.010 109.829 108.800 0.032 0.000 3.605 285 G HA2 -0.007 3.932 3.960 -0.036 0.000 0.277 285 G HA3 -0.007 3.932 3.960 -0.036 0.000 0.277 285 G C -0.652 174.263 174.900 0.026 0.000 1.093 285 G CA -0.141 44.981 45.100 0.037 0.000 0.821 285 G HN 0.512 nan 8.290 nan 0.000 0.532 286 D N 1.100 121.497 120.400 -0.005 0.000 2.317 286 D HA 0.274 4.892 4.640 -0.036 0.000 0.234 286 D C -1.203 175.054 176.300 -0.072 0.000 1.112 286 D CA -2.418 51.545 54.000 -0.063 0.000 0.840 286 D CB 2.258 43.013 40.800 -0.074 0.000 1.078 286 D HN 0.014 nan 8.370 nan 0.000 0.486 287 P HA -0.020 nan 4.420 nan 0.000 0.242 287 P C 0.359 177.635 177.300 -0.040 0.000 1.197 287 P CA -0.048 63.028 63.100 -0.040 0.000 0.765 287 P CB 0.110 31.798 31.700 -0.020 0.000 0.936 288 S N 2.356 118.023 115.700 -0.055 0.000 2.552 288 S HA 0.075 4.523 4.470 -0.036 0.000 0.289 288 S C -1.012 173.578 174.600 -0.017 0.000 1.304 288 S CA -0.968 57.213 58.200 -0.032 0.000 1.063 288 S CB 0.191 63.355 63.200 -0.061 0.000 0.848 288 S HN 0.011 nan 8.310 nan 0.000 0.499 289 P HA -0.070 nan 4.420 nan 0.000 0.225 289 P C 1.328 178.748 177.300 0.200 0.000 1.148 289 P CA 0.582 63.748 63.100 0.109 0.000 0.779 289 P CB -0.092 31.680 31.700 0.121 0.000 0.780 290 I N -0.229 120.418 120.570 0.130 0.000 2.493 290 I HA -0.105 4.044 4.170 -0.036 0.000 0.254 290 I C 1.969 178.174 176.117 0.147 0.000 1.160 290 I CA 1.355 62.769 61.300 0.191 0.000 1.445 290 I CB -1.017 37.016 38.000 0.054 0.000 1.086 290 I HN 0.048 nan 8.210 nan 0.000 0.433 291 R N -0.607 119.772 120.500 -0.202 0.000 2.541 291 R HA 0.111 4.430 4.340 -0.036 0.000 0.332 291 R C 1.867 177.675 176.300 -0.819 0.000 0.951 291 R CA 0.429 56.108 56.100 -0.702 0.000 1.136 291 R CB 0.338 30.361 30.300 -0.463 0.000 1.449 291 R HN 0.269 nan 8.270 nan 0.000 0.531 292 S N 0.635 116.058 115.700 -0.462 0.000 2.481 292 S HA -0.094 4.354 4.470 -0.036 0.000 0.231 292 S C 1.469 175.853 174.600 -0.359 0.000 0.996 292 S CA 0.173 58.192 58.200 -0.302 0.000 0.942 292 S CB -0.357 62.765 63.200 -0.130 0.000 0.768 292 S HN 0.591 nan 8.310 nan 0.000 0.520 293 W N 1.109 122.176 121.300 -0.388 0.000 3.139 293 W HA 0.335 4.971 4.660 -0.040 0.000 0.260 293 W C 0.543 176.985 176.519 -0.127 0.000 1.312 293 W CA -0.524 56.445 57.345 -0.627 0.000 1.606 293 W CB -0.698 28.310 29.460 -0.754 0.000 1.118 293 W HN 0.311 nan 8.180 nan 0.000 0.675 294 Q N 2.862 122.211 119.800 -0.752 0.000 2.307 294 Q HA 0.118 4.437 4.340 -0.036 0.000 0.261 294 Q C -0.776 174.918 176.000 -0.509 0.000 1.051 294 Q CA 0.507 55.776 55.803 -0.889 0.000 0.911 294 Q CB 0.113 28.034 28.738 -1.362 0.000 1.227 294 Q HN 0.041 nan 8.270 nan 0.000 0.418 295 N N 4.719 123.160 118.700 -0.432 0.000 2.549 295 N HA 0.132 4.851 4.740 -0.036 0.000 0.290 295 N C -1.880 173.483 175.510 -0.245 0.000 1.122 295 N CA -0.441 52.409 53.050 -0.333 0.000 0.885 295 N CB 1.117 39.562 38.487 -0.071 0.000 1.455 295 N HN 0.420 nan 8.380 nan 0.000 0.521 296 Y N 1.242 121.583 120.300 0.070 0.000 2.404 296 Y HA 0.387 4.914 4.550 -0.037 0.000 0.344 296 Y C 0.090 176.047 175.900 0.095 0.000 0.970 296 Y CA -0.813 57.419 58.100 0.221 0.000 1.180 296 Y CB 0.192 38.768 38.460 0.192 0.000 1.138 296 Y HN 0.344 nan 8.280 nan 0.000 0.510 297 F N 3.439 123.611 119.950 0.370 0.000 2.515 297 F HA 0.191 4.696 4.527 -0.036 0.000 0.353 297 F C 1.144 177.149 175.800 0.341 0.000 1.213 297 F CA -0.402 57.747 58.000 0.248 0.000 1.194 297 F CB 0.208 39.302 39.000 0.157 0.000 1.488 297 F HN 0.537 nan 8.300 nan 0.000 0.619 298 D N 0.755 121.400 120.400 0.408 0.000 2.144 298 D HA -0.132 4.487 4.640 -0.036 0.000 0.199 298 D C 2.047 178.584 176.300 0.395 0.000 0.984 298 D CA 1.524 55.785 54.000 0.435 0.000 0.834 298 D CB 0.066 41.029 40.800 0.272 0.000 0.955 298 D HN 0.389 nan 8.370 nan 0.000 0.465 299 T N -0.163 114.555 114.554 0.272 0.000 2.698 299 T HA -0.034 4.294 4.350 -0.036 0.000 0.260 299 T C 1.959 176.721 174.700 0.104 0.000 1.044 299 T CA 1.460 63.664 62.100 0.173 0.000 1.149 299 T CB -0.507 68.430 68.868 0.116 0.000 0.864 299 T HN 0.227 nan 8.240 nan 0.000 0.419 300 G N 0.648 109.511 108.800 0.105 0.000 2.408 300 G HA2 -0.071 3.867 3.960 -0.036 0.000 0.215 300 G HA3 -0.071 3.867 3.960 -0.036 0.000 0.215 300 G C 1.466 176.359 174.900 -0.011 0.000 1.156 300 G CA 0.404 45.473 45.100 -0.051 0.000 0.793 300 G HN 0.475 nan 8.290 nan 0.000 0.535 301 E N -1.057 119.212 120.200 0.116 0.000 2.127 301 E HA 0.085 4.413 4.350 -0.036 0.000 0.191 301 E C 1.843 178.427 176.600 -0.027 0.000 0.964 301 E CA 0.411 56.812 56.400 0.002 0.000 0.832 301 E CB 0.060 29.745 29.700 -0.024 0.000 0.790 301 E HN 0.563 nan 8.360 nan 0.000 0.465 302 Y N -0.044 120.418 120.300 0.269 0.000 2.503 302 Y HA 0.263 4.792 4.550 -0.036 0.000 0.277 302 Y C -0.011 176.108 175.900 0.365 0.000 1.102 302 Y CA -0.015 58.312 58.100 0.379 0.000 1.261 302 Y CB 0.601 39.316 38.460 0.424 0.000 1.096 302 Y HN -0.152 nan 8.280 nan 0.000 0.546 303 L N 0.702 122.146 121.223 0.369 0.000 2.706 303 L HA -0.195 4.123 4.340 -0.036 0.000 0.666 303 L C 0.931 177.952 176.870 0.250 0.000 1.021 303 L CA -0.071 54.895 54.840 0.211 0.000 1.360 303 L CB -1.543 40.590 42.059 0.123 0.000 1.957 303 L HN 0.135 nan 8.230 nan 0.000 0.920 304 V N -0.386 119.676 119.914 0.246 0.000 2.515 304 V HA -0.076 4.023 4.120 -0.036 0.000 0.250 304 V C 2.214 178.471 176.094 0.272 0.000 1.058 304 V CA 2.034 64.532 62.300 0.330 0.000 1.064 304 V CB -0.514 31.486 31.823 0.295 0.000 0.675 304 V HN 0.861 nan 8.190 nan 0.000 0.461 305 G N 0.971 109.788 108.800 0.027 0.000 2.442 305 G HA2 -0.322 3.617 3.960 -0.036 0.000 0.219 305 G HA3 -0.322 3.617 3.960 -0.036 0.000 0.219 305 G C 1.594 176.579 174.900 0.142 0.000 1.141 305 G CA 1.059 46.112 45.100 -0.078 0.000 0.763 305 G HN 0.784 nan 8.290 nan 0.000 0.554 306 Q N -0.882 118.887 119.800 -0.052 0.000 2.224 306 Q HA -0.071 4.247 4.340 -0.036 0.000 0.203 306 Q C 1.233 177.043 176.000 -0.317 0.000 0.970 306 Q CA 1.027 56.685 55.803 -0.241 0.000 0.865 306 Q CB -0.302 28.159 28.738 -0.462 0.000 0.922 306 Q HN 0.530 nan 8.270 nan 0.000 0.445 307 Y N 0.656 121.083 120.300 0.212 0.000 2.571 307 Y HA 0.484 5.014 4.550 -0.034 0.000 0.275 307 Y C 0.561 176.623 175.900 0.270 0.000 1.179 307 Y CA -0.637 57.588 58.100 0.208 0.000 1.242 307 Y CB -0.089 38.497 38.460 0.209 0.000 1.126 307 Y HN 0.164 nan 8.280 nan 0.000 0.524 308 A N 0.975 124.037 122.820 0.404 0.000 2.546 308 A HA 0.028 4.327 4.320 -0.036 0.000 0.243 308 A C 0.344 178.117 177.584 0.314 0.000 1.063 308 A CA -0.231 52.080 52.037 0.458 0.000 0.757 308 A CB -0.345 18.930 19.000 0.460 0.000 0.991 308 A HN 0.606 nan 8.150 nan 0.000 0.503 309 N N 1.147 120.041 118.700 0.324 0.000 2.482 309 N HA 0.213 4.932 4.740 -0.036 0.000 0.260 309 N C -0.256 175.344 175.510 0.150 0.000 1.236 309 N CA -0.140 53.039 53.050 0.216 0.000 0.938 309 N CB 0.502 39.110 38.487 0.201 0.000 1.128 309 N HN 0.576 nan 8.380 nan 0.000 0.448 310 S N 1.577 117.326 115.700 0.082 0.000 2.448 310 S HA 0.177 4.626 4.470 -0.036 0.000 0.279 310 S C 0.013 174.625 174.600 0.019 0.000 1.195 310 S CA -0.506 57.707 58.200 0.022 0.000 1.051 310 S CB -0.021 63.170 63.200 -0.015 0.000 0.948 310 S HN 0.282 nan 8.310 nan 0.000 0.493 311 L N 3.967 125.205 121.223 0.024 0.000 2.260 311 L HA 0.350 4.668 4.340 -0.036 0.000 0.289 311 L C 0.536 177.414 176.870 0.014 0.000 1.057 311 L CA -0.613 54.271 54.840 0.074 0.000 0.811 311 L CB 0.497 42.688 42.059 0.221 0.000 1.184 311 L HN 0.450 nan 8.230 nan 0.000 0.429 312 E N 2.884 123.094 120.200 0.017 0.000 2.354 312 E HA 0.185 4.514 4.350 -0.036 0.000 0.269 312 E C -0.429 176.217 176.600 0.077 0.000 1.036 312 E CA -0.766 55.637 56.400 0.005 0.000 0.876 312 E CB 2.119 31.817 29.700 -0.003 0.000 1.009 312 E HN 0.268 nan 8.360 nan 0.000 0.416 313 L N 1.480 122.757 121.223 0.090 0.000 2.416 313 L HA 0.256 4.575 4.340 -0.036 0.000 0.272 313 L C 1.287 178.199 176.870 0.069 0.000 1.161 313 L CA 1.513 56.438 54.840 0.142 0.000 0.845 313 L CB 0.445 42.598 42.059 0.156 0.000 1.119 313 L HN 0.793 nan 8.230 nan 0.000 0.464 314 G N 2.142 110.974 108.800 0.052 0.000 2.205 314 G HA2 -0.327 3.611 3.960 -0.036 0.000 0.261 314 G HA3 -0.327 3.611 3.960 -0.036 0.000 0.261 314 G C 0.702 175.610 174.900 0.015 0.000 0.980 314 G CA 0.497 45.611 45.100 0.024 0.000 0.632 314 G HN 0.801 nan 8.290 nan 0.000 0.533 315 C N -1.023 118.289 119.300 0.019 0.000 2.503 315 C HA 0.337 4.776 4.460 -0.036 0.000 0.344 315 C C 2.093 177.081 174.990 -0.003 0.000 1.610 315 C CA 1.053 60.072 59.018 0.002 0.000 2.351 315 C CB -0.445 27.292 27.740 -0.005 0.000 2.044 315 C HN 0.407 nan 8.230 nan 0.000 0.680 316 D N 0.236 120.644 120.400 0.013 0.000 2.216 316 D HA 0.057 4.676 4.640 -0.036 0.000 0.208 316 D C 0.144 176.488 176.300 0.073 0.000 0.960 316 D CA 1.116 55.127 54.000 0.018 0.000 0.861 316 D CB 0.158 40.973 40.800 0.026 0.000 0.985 316 D HN 0.421 nan 8.370 nan 0.000 0.493 317 c N 1.524 120.163 118.600 0.065 0.000 2.397 317 c HA 0.529 5.078 4.570 -0.036 0.000 0.325 317 c C -0.469 173.570 174.090 -0.084 0.000 1.201 317 c CA -1.100 55.222 56.329 -0.010 0.000 1.377 317 c CB 1.058 43.562 42.510 -0.010 0.000 2.038 317 c HN 0.152 nan 8.230 nan 0.000 0.457 318 L N 4.028 125.157 121.223 -0.157 0.000 2.317 318 L HA 0.970 5.288 4.340 -0.036 0.000 0.281 318 L C 0.438 177.202 176.870 -0.177 0.000 1.024 318 L CA 1.623 56.396 54.840 -0.111 0.000 0.810 318 L CB 1.137 43.169 42.059 -0.046 0.000 1.240 318 L HN 1.127 nan 8.230 nan 0.000 0.427 319 G N 3.276 112.024 108.800 -0.087 0.000 2.384 319 G HA2 -0.131 3.807 3.960 -0.036 0.000 0.204 319 G HA3 -0.131 3.807 3.960 -0.036 0.000 0.204 319 G C -1.205 173.679 174.900 -0.026 0.000 1.237 319 G CA -0.301 44.774 45.100 -0.043 0.000 1.060 319 G HN 0.696 nan 8.290 nan 0.000 0.514 320 D N 1.421 121.833 120.400 0.021 0.000 2.422 320 D HA 0.416 5.034 4.640 -0.036 0.000 0.227 320 D C 0.249 176.578 176.300 0.048 0.000 1.190 320 D CA -0.140 53.879 54.000 0.033 0.000 0.905 320 D CB 0.030 40.855 40.800 0.043 0.000 1.034 320 D HN 0.361 nan 8.370 nan 0.000 0.507 321 I N 2.684 123.236 120.570 -0.030 0.000 2.359 321 I HA 0.201 4.349 4.170 -0.036 0.000 0.294 321 I C 0.694 176.726 176.117 -0.141 0.000 0.987 321 I CA -0.534 60.678 61.300 -0.146 0.000 1.225 321 I CB 1.468 39.212 38.000 -0.428 0.000 1.366 321 I HN 0.094 nan 8.210 nan 0.000 0.466 322 T N 6.501 121.031 114.554 -0.039 0.000 2.758 322 T HA 0.505 4.834 4.350 -0.036 0.000 0.285 322 T C -0.542 174.093 174.700 -0.109 0.000 0.981 322 T CA -0.240 61.881 62.100 0.036 0.000 0.965 322 T CB 0.418 69.469 68.868 0.304 0.000 0.927 322 T HN 0.158 nan 8.240 nan 0.000 0.448 323 Y N 2.173 122.526 120.300 0.088 0.000 2.387 323 Y HA 0.586 5.115 4.550 -0.036 0.000 0.330 323 Y C 0.330 176.247 175.900 0.028 0.000 1.133 323 Y CA -1.150 56.979 58.100 0.048 0.000 1.152 323 Y CB 0.927 39.406 38.460 0.030 0.000 1.215 323 Y HN 0.383 nan 8.280 nan 0.000 0.466 324 L N 1.564 122.886 121.223 0.165 0.000 2.331 324 L HA 0.565 4.883 4.340 -0.036 0.000 0.275 324 L C -0.305 176.575 176.870 0.015 0.000 1.022 324 L CA -0.680 54.200 54.840 0.067 0.000 0.812 324 L CB 1.658 43.725 42.059 0.013 0.000 1.257 324 L HN 0.533 nan 8.230 nan 0.000 0.435 325 S N 2.347 118.028 115.700 -0.032 0.000 2.399 325 S HA 0.333 4.781 4.470 -0.036 0.000 0.215 325 S C -2.393 172.131 174.600 -0.128 0.000 1.456 325 S CA -1.014 57.136 58.200 -0.085 0.000 1.199 325 S CB 0.744 63.914 63.200 -0.050 0.000 1.063 325 S HN 0.379 nan 8.310 nan 0.000 0.476 326 P HA 0.255 nan 4.420 nan 0.000 0.272 326 P C -0.687 176.523 177.300 -0.150 0.000 1.223 326 P CA -0.331 62.619 63.100 -0.251 0.000 0.784 326 P CB 0.722 32.027 31.700 -0.658 0.000 0.923 327 V N 3.674 123.563 119.914 -0.043 0.000 2.483 327 V HA 0.492 4.590 4.120 -0.036 0.000 0.295 327 V C 0.677 176.791 176.094 0.034 0.000 1.035 327 V CA -0.598 61.697 62.300 -0.010 0.000 0.896 327 V CB 1.143 32.967 31.823 0.002 0.000 0.986 327 V HN 0.500 nan 8.190 nan 0.000 0.447 328 I N 0.641 121.223 120.570 0.019 0.000 3.108 328 I HA 0.778 4.926 4.170 -0.036 0.000 0.312 328 I C -0.116 175.991 176.117 -0.017 0.000 1.095 328 I CA -0.636 60.673 61.300 0.015 0.000 1.000 328 I CB 2.330 40.346 38.000 0.027 0.000 1.229 328 I HN 0.508 nan 8.210 nan 0.000 0.454 329 S N 1.615 117.288 115.700 -0.045 0.000 2.562 329 S HA 0.270 4.718 4.470 -0.036 0.000 0.275 329 S C -0.371 174.207 174.600 -0.037 0.000 1.281 329 S CA -0.548 57.625 58.200 -0.045 0.000 1.045 329 S CB 0.398 63.555 63.200 -0.071 0.000 0.962 329 S HN 0.813 nan 8.310 nan 0.000 0.503 330 D N 3.218 123.616 120.400 -0.003 0.000 2.440 330 D HA 0.333 4.951 4.640 -0.036 0.000 0.269 330 D C 1.244 177.525 176.300 -0.032 0.000 1.249 330 D CA -0.039 53.967 54.000 0.010 0.000 1.055 330 D CB 0.009 40.860 40.800 0.084 0.000 1.104 330 D HN 0.458 nan 8.370 nan 0.000 0.561 331 A N -1.129 121.624 122.820 -0.111 0.000 2.121 331 A HA -0.020 4.279 4.320 -0.036 0.000 0.218 331 A C 1.611 178.922 177.584 -0.456 0.000 1.154 331 A CA 0.741 52.582 52.037 -0.327 0.000 0.679 331 A CB -0.872 17.818 19.000 -0.517 0.000 0.795 331 A HN 0.473 nan 8.150 nan 0.000 0.458 332 F N -1.705 118.253 119.950 0.013 0.000 2.678 332 F HA 0.398 4.903 4.527 -0.036 0.000 0.305 332 F C 1.739 177.535 175.800 -0.007 0.000 1.090 332 F CA 0.464 58.469 58.000 0.008 0.000 1.272 332 F CB 0.413 39.416 39.000 0.006 0.000 1.060 332 F HN 0.304 nan 8.300 nan 0.000 0.576 333 G N 0.240 109.104 108.800 0.107 0.000 2.159 333 G HA2 -0.247 3.692 3.960 -0.036 0.000 0.227 333 G HA3 -0.247 3.692 3.960 -0.036 0.000 0.227 333 G C -0.105 174.812 174.900 0.027 0.000 0.986 333 G CA -0.515 44.609 45.100 0.039 0.000 0.651 333 G HN 0.252 nan 8.290 nan 0.000 0.523 334 N N 2.121 120.860 118.700 0.066 0.000 2.529 334 N HA 0.420 5.139 4.740 -0.036 0.000 0.278 334 N C -2.522 172.995 175.510 0.011 0.000 1.146 334 N CA -1.042 52.028 53.050 0.033 0.000 0.980 334 N CB 1.504 40.020 38.487 0.049 0.000 1.124 334 N HN 0.192 nan 8.380 nan 0.000 0.458 335 P HA 0.158 nan 4.420 nan 0.000 0.271 335 P C -0.518 176.780 177.300 -0.004 0.000 1.216 335 P CA -0.045 63.046 63.100 -0.015 0.000 0.776 335 P CB 0.983 32.669 31.700 -0.024 0.000 0.881 336 R N 1.433 121.930 120.500 -0.006 0.000 2.538 336 R HA 0.286 4.604 4.340 -0.036 0.000 0.292 336 R C -0.687 175.604 176.300 -0.016 0.000 1.008 336 R CA -0.624 55.473 56.100 -0.005 0.000 0.896 336 R CB 1.533 31.834 30.300 0.002 0.000 1.187 336 R HN 0.445 nan 8.270 nan 0.000 0.440 337 E N 5.127 125.314 120.200 -0.021 0.000 2.283 337 E HA 0.175 4.503 4.350 -0.036 0.000 0.278 337 E C -0.646 175.926 176.600 -0.047 0.000 1.027 337 E CA -0.535 55.842 56.400 -0.038 0.000 0.843 337 E CB 0.882 30.561 29.700 -0.035 0.000 1.062 337 E HN 0.560 nan 8.360 nan 0.000 0.401 338 I N 5.510 126.031 120.570 -0.082 0.000 2.276 338 I HA 0.185 4.334 4.170 -0.036 0.000 0.290 338 I C 0.632 176.691 176.117 -0.096 0.000 1.109 338 I CA -0.346 60.902 61.300 -0.086 0.000 1.229 338 I CB 0.319 38.236 38.000 -0.137 0.000 1.452 338 I HN 0.390 nan 8.210 nan 0.000 0.497 339 R N 6.468 126.926 120.500 -0.071 0.000 2.484 339 R HA -0.002 4.316 4.340 -0.036 0.000 0.293 339 R C 0.231 176.459 176.300 -0.120 0.000 1.023 339 R CA 0.161 56.208 56.100 -0.088 0.000 1.037 339 R CB 0.208 30.460 30.300 -0.080 0.000 0.951 339 R HN 0.609 nan 8.270 nan 0.000 0.418 340 N N 2.480 121.091 118.700 -0.149 0.000 2.727 340 N HA -0.176 4.543 4.740 -0.036 0.000 0.249 340 N C 0.538 176.044 175.510 -0.007 0.000 1.048 340 N CA 1.138 54.057 53.050 -0.217 0.000 0.714 340 N CB -1.225 36.839 38.487 -0.704 0.000 0.959 340 N HN 0.898 nan 8.380 nan 0.000 0.544 341 G N -1.019 107.775 108.800 -0.011 0.000 2.551 341 G HA2 0.220 4.159 3.960 -0.036 0.000 0.216 341 G HA3 0.220 4.159 3.960 -0.036 0.000 0.216 341 G C 0.536 175.484 174.900 0.080 0.000 1.137 341 G CA 0.242 45.341 45.100 -0.003 0.000 0.798 341 G HN 0.438 nan 8.290 nan 0.000 0.536 342 I N 0.492 121.116 120.570 0.090 0.000 2.436 342 I HA 0.307 4.456 4.170 -0.036 0.000 0.289 342 I C -0.684 175.535 176.117 0.171 0.000 1.010 342 I CA -0.922 60.453 61.300 0.125 0.000 1.098 342 I CB 2.410 40.423 38.000 0.022 0.000 1.266 342 I HN -0.178 nan 8.210 nan 0.000 0.434 343 c N 7.009 125.683 118.600 0.124 0.000 2.350 343 c HA 0.648 5.197 4.570 -0.036 0.000 0.348 343 c C 0.107 174.171 174.090 -0.042 0.000 1.260 343 c CA -0.508 55.812 56.329 -0.015 0.000 1.966 343 c CB 0.374 42.909 42.510 0.042 0.000 2.380 343 c HN 0.655 nan 8.230 nan 0.000 0.535 344 M N 5.763 125.295 119.600 -0.113 0.000 2.204 344 M HA 0.465 4.923 4.480 -0.036 0.000 0.293 344 M C -0.616 175.635 176.300 -0.082 0.000 0.994 344 M CA -0.136 55.038 55.300 -0.209 0.000 0.925 344 M CB 1.670 34.064 32.600 -0.343 0.000 1.577 344 M HN 0.931 nan 8.290 nan 0.000 0.439 345 H N 1.158 120.055 119.070 -0.288 0.000 3.014 345 H HA 0.513 5.048 4.556 -0.036 0.000 0.337 345 H C -1.984 173.241 175.328 -0.172 0.000 1.320 345 H CA -1.000 55.011 56.048 -0.061 0.000 1.128 345 H CB 1.226 30.991 29.762 0.006 0.000 1.862 345 H HN 0.751 nan 8.280 nan 0.000 0.536 346 E N 1.372 121.562 120.200 -0.015 0.000 2.202 346 E HA 0.510 4.838 4.350 -0.036 0.000 0.272 346 E C -0.888 175.731 176.600 0.032 0.000 0.951 346 E CA -0.930 55.372 56.400 -0.163 0.000 0.813 346 E CB 2.406 32.154 29.700 0.081 0.000 1.151 346 E HN 0.727 nan 8.360 nan 0.000 0.398 347 E N 1.680 121.875 120.200 -0.010 0.000 2.367 347 E HA 0.254 4.583 4.350 -0.036 0.000 0.273 347 E C -1.380 175.339 176.600 0.199 0.000 0.903 347 E CA -1.073 55.411 56.400 0.140 0.000 0.764 347 E CB 1.473 31.276 29.700 0.172 0.000 1.252 347 E HN 0.537 nan 8.360 nan 0.000 0.446 348 D N 1.176 121.706 120.400 0.216 0.000 2.443 348 D HA -0.076 4.543 4.640 -0.036 0.000 0.239 348 D C -0.930 175.575 176.300 0.342 0.000 1.136 348 D CA 0.224 54.361 54.000 0.230 0.000 0.879 348 D CB 0.532 41.417 40.800 0.142 0.000 1.195 348 D HN 0.512 nan 8.370 nan 0.000 0.443 349 W N 5.740 127.083 121.300 0.071 0.000 1.187 349 W HA 0.378 5.016 4.660 -0.036 0.000 0.297 349 W C 0.173 176.727 176.519 0.059 0.000 0.842 349 W CA 0.139 57.526 57.345 0.069 0.000 2.286 349 W CB 0.093 29.639 29.460 0.144 0.000 1.736 349 W HN 0.842 nan 8.180 nan 0.000 0.507 350 G N 1.820 110.569 108.800 -0.085 0.000 2.598 350 G HA2 -0.325 3.613 3.960 -0.036 0.000 0.244 350 G HA3 -0.325 3.613 3.960 -0.036 0.000 0.244 350 G C -0.455 174.433 174.900 -0.020 0.000 1.302 350 G CA -0.262 44.759 45.100 -0.131 0.000 0.903 350 G HN 0.183 nan 8.290 nan 0.000 0.575 351 I N 0.958 121.508 120.570 -0.034 0.000 2.474 351 I HA 0.246 4.394 4.170 -0.036 0.000 0.287 351 I C 1.592 177.739 176.117 0.050 0.000 1.048 351 I CA -0.448 60.856 61.300 0.006 0.000 1.383 351 I CB 1.336 39.330 38.000 -0.011 0.000 1.412 351 I HN 0.577 nan 8.210 nan 0.000 0.531 352 L N 7.218 128.485 121.223 0.074 0.000 2.145 352 L HA 0.450 4.769 4.340 -0.036 0.000 0.201 352 L C 0.575 177.502 176.870 0.095 0.000 1.075 352 L CA 1.092 55.996 54.840 0.106 0.000 0.773 352 L CB 0.008 42.137 42.059 0.117 0.000 0.936 352 L HN 0.693 nan 8.230 nan 0.000 0.451 353 A N -0.530 122.349 122.820 0.099 0.000 2.589 353 A HA 0.645 4.944 4.320 -0.036 0.000 0.296 353 A C -1.112 176.578 177.584 0.177 0.000 1.062 353 A CA -0.605 51.521 52.037 0.149 0.000 0.686 353 A CB 1.054 20.189 19.000 0.224 0.000 1.282 353 A HN 0.046 nan 8.150 nan 0.000 0.404 354 K N 1.038 121.558 120.400 0.199 0.000 2.561 354 K HA 0.570 4.868 4.320 -0.036 0.000 0.254 354 K C -2.134 174.620 176.600 0.256 0.000 0.942 354 K CA -0.474 55.935 56.287 0.203 0.000 0.818 354 K CB 1.618 34.173 32.500 0.092 0.000 1.306 354 K HN 1.067 nan 8.250 nan 0.000 0.435 355 H N 0.384 119.543 119.070 0.149 0.000 3.026 355 H HA 0.424 4.958 4.556 -0.036 0.000 0.352 355 H C -1.834 173.526 175.328 0.054 0.000 1.090 355 H CA -0.378 55.706 56.048 0.060 0.000 1.268 355 H CB 2.018 31.787 29.762 0.011 0.000 1.816 355 H HN 0.412 nan 8.280 nan 0.000 0.518 356 S N 3.968 119.316 115.700 -0.587 0.000 2.520 356 S HA 0.171 4.620 4.470 -0.036 0.000 0.324 356 S C -0.850 173.299 174.600 -0.751 0.000 1.069 356 S CA -0.662 57.256 58.200 -0.471 0.000 1.121 356 S CB 0.420 63.481 63.200 -0.232 0.000 0.971 356 S HN 0.653 nan 8.310 nan 0.000 0.463 357 D N 2.189 122.247 120.400 -0.570 0.000 2.274 357 D HA 0.308 4.927 4.640 -0.036 0.000 0.239 357 D C 0.979 177.171 176.300 -0.180 0.000 1.104 357 D CA -0.605 53.185 54.000 -0.349 0.000 0.840 357 D CB 0.885 41.668 40.800 -0.030 0.000 1.100 357 D HN 0.254 nan 8.370 nan 0.000 0.477 358 L N 5.384 126.465 121.223 -0.237 0.000 1.994 358 L HA -0.038 4.280 4.340 -0.036 0.000 0.208 358 L C 1.392 178.270 176.870 0.012 0.000 1.071 358 L CA 1.643 56.382 54.840 -0.168 0.000 0.745 358 L CB -0.421 41.462 42.059 -0.294 0.000 0.892 358 L HN 0.614 nan 8.230 nan 0.000 0.431 359 W N -0.288 121.019 121.300 0.012 0.000 2.388 359 W HA -0.063 4.575 4.660 -0.036 0.000 0.294 359 W C 2.980 179.504 176.519 0.009 0.000 1.212 359 W CA 1.462 58.814 57.345 0.013 0.000 1.271 359 W CB -1.659 27.813 29.460 0.020 0.000 1.126 359 W HN 0.536 nan 8.180 nan 0.000 0.535 360 S N -0.949 114.886 115.700 0.225 0.000 2.478 360 S HA 0.262 4.710 4.470 -0.036 0.000 0.222 360 S C 1.814 176.462 174.600 0.080 0.000 1.008 360 S CA 0.927 59.208 58.200 0.135 0.000 0.928 360 S CB -0.112 63.158 63.200 0.116 0.000 0.781 360 S HN 0.407 nan 8.310 nan 0.000 0.518 361 G N 1.123 109.957 108.800 0.057 0.000 2.184 361 G HA2 -0.247 3.692 3.960 -0.036 0.000 0.264 361 G HA3 -0.247 3.692 3.960 -0.036 0.000 0.264 361 G C 0.024 174.931 174.900 0.011 0.000 0.975 361 G CA 0.423 45.538 45.100 0.025 0.000 0.642 361 G HN 0.610 nan 8.290 nan 0.000 0.536 362 I N 1.487 122.066 120.570 0.016 0.000 2.342 362 I HA 0.274 4.422 4.170 -0.036 0.000 0.291 362 I C -0.380 175.741 176.117 0.007 0.000 1.010 362 I CA -0.790 60.528 61.300 0.029 0.000 1.308 362 I CB 0.924 38.956 38.000 0.053 0.000 1.400 362 I HN -0.010 nan 8.210 nan 0.000 0.488 363 N N 6.519 125.234 118.700 0.026 0.000 2.400 363 N HA 0.367 5.086 4.740 -0.036 0.000 0.288 363 N C -1.319 174.264 175.510 0.121 0.000 1.024 363 N CA -0.458 52.607 53.050 0.026 0.000 0.894 363 N CB 2.091 40.572 38.487 -0.010 0.000 1.173 363 N HN 0.478 nan 8.380 nan 0.000 0.487 364 Y N 0.506 120.794 120.300 -0.020 0.000 2.386 364 Y HA 0.430 4.958 4.550 -0.036 0.000 0.334 364 Y C -1.235 174.673 175.900 0.013 0.000 1.002 364 Y CA -0.337 57.768 58.100 0.009 0.000 1.068 364 Y CB 1.670 40.151 38.460 0.035 0.000 1.203 364 Y HN 0.370 nan 8.280 nan 0.000 0.443 365 T N 6.755 121.110 114.554 -0.332 0.000 2.971 365 T HA 0.594 4.922 4.350 -0.036 0.000 0.304 365 T C -1.234 173.227 174.700 -0.399 0.000 1.038 365 T CA -0.996 60.955 62.100 -0.249 0.000 1.007 365 T CB 1.254 70.055 68.868 -0.112 0.000 1.055 365 T HN 0.423 nan 8.240 nan 0.000 0.451 366 R N 1.761 122.099 120.500 -0.271 0.000 2.750 366 R HA 0.568 4.886 4.340 -0.036 0.000 0.281 366 R C -0.455 175.817 176.300 -0.046 0.000 0.972 366 R CA -0.876 55.116 56.100 -0.180 0.000 0.912 366 R CB 2.266 32.470 30.300 -0.160 0.000 1.187 366 R HN 0.540 nan 8.270 nan 0.000 0.464 367 R N 1.088 121.582 120.500 -0.012 0.000 2.540 367 R HA 0.333 4.651 4.340 -0.036 0.000 0.287 367 R C 0.085 176.448 176.300 0.105 0.000 0.980 367 R CA -0.867 55.258 56.100 0.043 0.000 0.966 367 R CB 1.127 31.450 30.300 0.039 0.000 1.106 367 R HN 0.382 nan 8.270 nan 0.000 0.480 368 N N 1.162 119.961 118.700 0.165 0.000 2.476 368 N HA 0.350 5.069 4.740 -0.036 0.000 0.275 368 N C -0.858 174.852 175.510 0.334 0.000 1.190 368 N CA -0.212 53.001 53.050 0.272 0.000 0.977 368 N CB 1.017 39.719 38.487 0.359 0.000 1.200 368 N HN 0.421 nan 8.380 nan 0.000 0.515 369 R N -0.021 120.723 120.500 0.406 0.000 2.739 369 R HA 0.513 4.831 4.340 -0.036 0.000 0.271 369 R C -0.808 175.725 176.300 0.387 0.000 1.010 369 R CA -0.886 55.466 56.100 0.420 0.000 0.897 369 R CB 2.257 32.853 30.300 0.494 0.000 1.236 369 R HN 0.664 nan 8.270 nan 0.000 0.466 370 R N 0.807 121.328 120.500 0.036 0.000 2.744 370 R HA 0.543 4.861 4.340 -0.036 0.000 0.279 370 R C -1.077 174.734 176.300 -0.815 0.000 0.977 370 R CA -1.017 54.794 56.100 -0.481 0.000 0.906 370 R CB 1.683 31.297 30.300 -1.142 0.000 1.197 370 R HN 0.414 nan 8.270 nan 0.000 0.463 371 M N 2.640 121.420 119.600 -1.366 0.000 2.180 371 M HA 0.284 4.743 4.480 -0.036 0.000 0.358 371 M C -1.458 174.359 176.300 -0.806 0.000 1.233 371 M CA -0.362 54.121 55.300 -1.362 0.000 1.114 371 M CB 1.548 33.149 32.600 -1.665 0.000 1.594 371 M HN 0.517 nan 8.290 nan 0.000 0.467 372 V N 7.222 126.717 119.914 -0.699 0.000 2.448 372 V HA 0.550 4.649 4.120 -0.036 0.000 0.295 372 V C -0.468 175.411 176.094 -0.357 0.000 1.025 372 V CA -0.580 61.468 62.300 -0.419 0.000 0.859 372 V CB 1.459 33.022 31.823 -0.433 0.000 0.988 372 V HN 0.784 nan 8.190 nan 0.000 0.431 373 I N 4.644 125.080 120.570 -0.223 0.000 2.447 373 I HA 0.641 4.789 4.170 -0.036 0.000 0.287 373 I C -0.138 175.965 176.117 -0.024 0.000 1.023 373 I CA -0.052 61.172 61.300 -0.128 0.000 1.083 373 I CB 2.066 39.987 38.000 -0.131 0.000 1.245 373 I HN 0.775 nan 8.210 nan 0.000 0.434 374 S N 5.865 121.554 115.700 -0.019 0.000 2.588 374 S HA 0.850 5.299 4.470 -0.036 0.000 0.275 374 S C -0.919 173.761 174.600 0.134 0.000 1.130 374 S CA -0.688 57.436 58.200 -0.125 0.000 0.855 374 S CB 2.495 65.319 63.200 -0.626 0.000 1.116 374 S HN 0.518 nan 8.310 nan 0.000 0.472 375 F N -0.731 119.173 119.950 -0.077 0.000 2.664 375 F HA 0.919 5.425 4.527 -0.036 0.000 0.317 375 F C -2.055 173.838 175.800 0.154 0.000 1.108 375 F CA -1.854 56.200 58.000 0.090 0.000 0.957 375 F CB 0.936 40.042 39.000 0.178 0.000 1.365 375 F HN 0.600 nan 8.300 nan 0.000 0.475 376 F N 0.681 120.659 119.950 0.047 0.000 2.556 376 F HA 0.655 5.160 4.527 -0.036 0.000 0.314 376 F C -0.207 175.709 175.800 0.194 0.000 1.106 376 F CA -0.363 57.646 58.000 0.015 0.000 0.911 376 F CB 2.297 41.338 39.000 0.068 0.000 1.190 376 F HN 0.878 nan 8.300 nan 0.000 0.448 377 T N 2.043 116.836 114.554 0.398 0.000 2.916 377 T HA 0.673 5.001 4.350 -0.036 0.000 0.292 377 T C -1.193 173.763 174.700 0.427 0.000 1.055 377 T CA -0.321 62.065 62.100 0.477 0.000 1.009 377 T CB 1.450 70.643 68.868 0.541 0.000 1.118 377 T HN 0.554 nan 8.240 nan 0.000 0.497 378 T N 4.298 119.069 114.554 0.362 0.000 2.840 378 T HA 0.553 4.881 4.350 -0.036 0.000 0.287 378 T C -0.800 173.983 174.700 0.138 0.000 0.991 378 T CA -0.575 61.656 62.100 0.217 0.000 0.964 378 T CB 0.494 69.462 68.868 0.167 0.000 0.954 378 T HN 0.433 nan 8.240 nan 0.000 0.438 379 I N 3.661 124.271 120.570 0.067 0.000 2.464 379 I HA 0.410 4.559 4.170 -0.036 0.000 0.277 379 I C 1.285 177.322 176.117 -0.135 0.000 1.040 379 I CA -0.090 61.164 61.300 -0.076 0.000 1.153 379 I CB -0.035 37.947 38.000 -0.029 0.000 1.274 379 I HN 0.935 nan 8.210 nan 0.000 0.469 380 G N 7.393 116.145 108.800 -0.081 0.000 2.620 380 G HA2 -0.320 3.618 3.960 -0.036 0.000 0.315 380 G HA3 -0.320 3.618 3.960 -0.036 0.000 0.315 380 G C 0.455 175.306 174.900 -0.081 0.000 1.179 380 G CA 0.602 45.704 45.100 0.003 0.000 0.971 380 G HN 0.718 nan 8.290 nan 0.000 0.544 384 Y N 0.372 120.694 120.300 0.037 0.000 2.376 384 Y HA 0.692 5.221 4.550 -0.035 0.000 0.340 384 Y C 0.820 176.072 175.900 -1.080 0.000 0.965 384 Y CA -1.049 56.837 58.100 -0.357 0.000 1.078 384 Y CB 2.442 40.800 38.460 -0.170 0.000 1.193 384 Y HN 0.450 nan 8.280 nan 0.000 0.452 385 G N 2.409 110.339 108.800 -1.449 0.000 2.343 385 G HA2 0.567 4.505 3.960 -0.036 0.000 0.319 385 G HA3 0.567 4.505 3.960 -0.036 0.000 0.319 385 G C -1.599 172.861 174.900 -0.735 0.000 1.126 385 G CA -0.380 43.861 45.100 -1.431 0.000 0.889 385 G HN 0.360 nan 8.290 nan 0.000 0.457 386 F N 1.450 120.915 119.950 -0.807 0.000 2.402 386 F HA 0.453 4.959 4.527 -0.036 0.000 0.355 386 F C -0.748 174.672 175.800 -0.634 0.000 1.123 386 F CA -0.784 56.912 58.000 -0.507 0.000 1.021 386 F CB 1.823 40.681 39.000 -0.237 0.000 1.160 386 F HN 0.311 nan 8.300 nan 0.000 0.451 387 Y N 1.579 121.446 120.300 -0.722 0.000 2.331 387 Y HA 0.407 4.935 4.550 -0.036 0.000 0.334 387 Y C -1.039 174.155 175.900 -1.176 0.000 0.960 387 Y CA -1.478 56.147 58.100 -0.793 0.000 1.130 387 Y CB 1.231 39.172 38.460 -0.865 0.000 1.164 387 Y HN 0.512 nan 8.280 nan 0.000 0.458 388 W N 3.515 124.500 121.300 -0.525 0.000 2.520 388 W HA 0.597 5.236 4.660 -0.036 0.000 0.323 388 W C -1.334 174.768 176.519 -0.695 0.000 1.062 388 W CA -0.719 56.320 57.345 -0.509 0.000 1.215 388 W CB 0.999 30.327 29.460 -0.220 0.000 1.340 388 W HN 0.326 nan 8.180 nan 0.000 0.516 389 Y N 2.914 123.121 120.300 -0.155 0.000 2.425 389 Y HA 0.618 5.147 4.550 -0.036 0.000 0.344 389 Y C -0.297 175.302 175.900 -0.502 0.000 0.969 389 Y CA -1.637 56.179 58.100 -0.474 0.000 1.052 389 Y CB 1.060 39.137 38.460 -0.637 0.000 1.215 389 Y HN 0.073 nan 8.280 nan 0.000 0.451 390 L N 4.043 124.925 121.223 -0.567 0.000 2.341 390 L HA 0.554 4.872 4.340 -0.036 0.000 0.278 390 L C -1.158 175.495 176.870 -0.362 0.000 1.005 390 L CA -0.889 53.561 54.840 -0.650 0.000 0.818 390 L CB 1.344 42.675 42.059 -1.214 0.000 1.259 390 L HN 0.578 nan 8.230 nan 0.000 0.418 391 Y N 1.690 122.120 120.300 0.216 0.000 2.496 391 Y HA 0.324 4.853 4.550 -0.036 0.000 0.331 391 Y C 1.133 177.466 175.900 0.722 0.000 1.140 391 Y CA -0.767 57.574 58.100 0.401 0.000 1.166 391 Y CB 1.529 40.120 38.460 0.219 0.000 1.249 391 Y HN 0.437 nan 8.280 nan 0.000 0.479 392 L N 0.687 122.330 121.223 0.700 0.000 2.081 392 L HA -0.224 4.095 4.340 -0.036 0.000 0.212 392 L C 1.582 178.697 176.870 0.409 0.000 1.080 392 L CA 1.782 56.893 54.840 0.452 0.000 0.754 392 L CB -0.310 41.899 42.059 0.250 0.000 0.893 392 L HN 0.760 nan 8.230 nan 0.000 0.433 393 D N -0.669 119.956 120.400 0.375 0.000 2.336 393 D HA 0.024 4.642 4.640 -0.036 0.000 0.229 393 D C 1.416 177.827 176.300 0.186 0.000 1.061 393 D CA 0.821 54.934 54.000 0.189 0.000 0.875 393 D CB 0.319 41.201 40.800 0.137 0.000 0.904 393 D HN 0.329 nan 8.370 nan 0.000 0.525 394 G N -0.566 108.510 108.800 0.459 0.000 2.194 394 G HA2 -0.249 3.690 3.960 -0.036 0.000 0.236 394 G HA3 -0.249 3.690 3.960 -0.036 0.000 0.236 394 G C 0.439 175.826 174.900 0.811 0.000 0.987 394 G CA 0.171 45.595 45.100 0.540 0.000 0.635 394 G HN 0.450 nan 8.290 nan 0.000 0.520 395 T N 1.426 116.351 114.554 0.618 0.000 2.916 395 T HA 0.519 4.848 4.350 -0.036 0.000 0.303 395 T C 0.535 175.586 174.700 0.585 0.000 1.025 395 T CA 0.561 62.965 62.100 0.506 0.000 1.142 395 T CB 1.115 70.096 68.868 0.188 0.000 0.947 395 T HN 0.357 nan 8.240 nan 0.000 0.544 396 I N 2.598 123.437 120.570 0.448 0.000 2.433 396 I HA 0.488 4.636 4.170 -0.036 0.000 0.292 396 I C 0.136 176.401 176.117 0.247 0.000 1.001 396 I CA -0.621 60.840 61.300 0.268 0.000 1.119 396 I CB 1.915 40.041 38.000 0.210 0.000 1.289 396 I HN 0.593 nan 8.210 nan 0.000 0.438 397 E N 5.441 125.750 120.200 0.183 0.000 2.340 397 E HA 0.489 4.818 4.350 -0.036 0.000 0.273 397 E C -2.010 174.433 176.600 -0.262 0.000 0.891 397 E CA -0.658 55.751 56.400 0.015 0.000 0.757 397 E CB 2.725 32.576 29.700 0.252 0.000 1.231 397 E HN 0.423 nan 8.360 nan 0.000 0.439 398 F N 2.260 121.647 119.950 -0.938 0.000 2.532 398 F HA 0.511 5.016 4.527 -0.036 0.000 0.321 398 F C -1.069 174.196 175.800 -0.891 0.000 1.089 398 F CA -0.499 56.745 58.000 -1.259 0.000 0.926 398 F CB 1.792 39.679 39.000 -1.855 0.000 1.168 398 F HN 0.495 nan 8.300 nan 0.000 0.459 399 E N 4.022 123.143 120.200 -1.798 0.000 2.275 399 E HA 0.683 5.011 4.350 -0.036 0.000 0.270 399 E C -1.840 173.867 176.600 -1.487 0.000 0.882 399 E CA -0.987 54.703 56.400 -1.184 0.000 0.758 399 E CB 1.779 31.173 29.700 -0.511 0.000 1.195 399 E HN 0.854 nan 8.360 nan 0.000 0.419 400 A N 4.455 126.680 122.820 -0.993 0.000 2.305 400 A HA 0.530 4.828 4.320 -0.036 0.000 0.322 400 A C -0.745 176.573 177.584 -0.443 0.000 1.187 400 A CA -0.646 50.917 52.037 -0.790 0.000 0.825 400 A CB 0.737 19.150 19.000 -0.978 0.000 1.164 400 A HN 0.549 nan 8.150 nan 0.000 0.498 401 K N 1.619 121.809 120.400 -0.349 0.000 2.307 401 K HA 0.579 4.878 4.320 -0.036 0.000 0.263 401 K C -0.642 175.884 176.600 -0.122 0.000 0.973 401 K CA -0.295 55.879 56.287 -0.187 0.000 0.846 401 K CB 2.133 34.575 32.500 -0.097 0.000 1.100 401 K HN 0.728 nan 8.250 nan 0.000 0.438 402 A N 2.483 125.258 122.820 -0.074 0.000 2.288 402 A HA 0.582 4.881 4.320 -0.036 0.000 0.320 402 A C -0.108 177.415 177.584 -0.101 0.000 1.217 402 A CA -0.290 51.686 52.037 -0.103 0.000 0.840 402 A CB 1.383 20.277 19.000 -0.176 0.000 1.179 402 A HN 0.697 nan 8.150 nan 0.000 0.504 403 T N 0.829 115.312 114.554 -0.118 0.000 2.587 403 T HA 0.802 5.131 4.350 -0.036 0.000 0.282 403 T C 0.431 175.048 174.700 -0.138 0.000 1.018 403 T CA 1.052 63.110 62.100 -0.070 0.000 1.120 403 T CB 0.617 69.491 68.868 0.010 0.000 1.538 403 T HN 2.666 nan 8.240 nan 0.000 0.480 404 G N -0.143 108.574 108.800 -0.139 0.000 2.451 404 G HA2 0.019 3.957 3.960 -0.036 0.000 0.208 404 G HA3 0.019 3.957 3.960 -0.036 0.000 0.208 404 G C -1.167 173.609 174.900 -0.208 0.000 1.248 404 G CA -0.211 44.774 45.100 -0.191 0.000 0.989 404 G HN 1.364 nan 8.290 nan 0.000 0.559 405 V N 1.227 120.981 119.914 -0.268 0.000 2.495 405 V HA 0.618 4.717 4.120 -0.036 0.000 0.298 405 V C 1.103 177.093 176.094 -0.173 0.000 1.031 405 V CA -0.120 62.039 62.300 -0.235 0.000 0.871 405 V CB 1.181 32.779 31.823 -0.375 0.000 0.988 405 V HN 1.701 nan 8.190 nan 0.000 0.432 406 V N 2.265 122.226 119.914 0.079 0.000 2.843 406 V HA 0.353 4.451 4.120 -0.036 0.000 0.305 406 V C -0.125 176.023 176.094 0.091 0.000 1.065 406 V CA -0.248 62.137 62.300 0.141 0.000 1.116 406 V CB 0.233 32.197 31.823 0.236 0.000 0.968 406 V HN 0.621 nan 8.190 nan 0.000 0.487 407 F N 4.541 124.476 119.950 -0.025 0.000 2.504 407 F HA 0.504 5.012 4.527 -0.031 0.000 0.369 407 F C 0.994 176.871 175.800 0.128 0.000 1.082 407 F CA 0.558 58.569 58.000 0.018 0.000 1.216 407 F CB 0.801 39.785 39.000 -0.026 0.000 1.108 407 F HN 1.002 nan 8.300 nan 0.000 0.554 408 T N 1.625 116.199 114.554 0.034 0.000 2.949 408 T HA 0.829 5.158 4.350 -0.036 0.000 0.287 408 T C -0.311 174.464 174.700 0.125 0.000 1.034 408 T CA -0.386 61.779 62.100 0.109 0.000 1.018 408 T CB 1.656 70.556 68.868 0.055 0.000 1.135 408 T HN 0.692 nan 8.240 nan 0.000 0.532 409 S N -0.341 115.381 115.700 0.036 0.000 2.752 409 S HA 0.799 5.247 4.470 -0.036 0.000 0.284 409 S C -0.322 174.225 174.600 -0.090 0.000 1.189 409 S CA -0.825 57.342 58.200 -0.055 0.000 0.835 409 S CB 0.781 63.946 63.200 -0.060 0.000 1.192 409 S HN 1.400 nan 8.310 nan 0.000 0.506 410 A N 0.421 123.127 122.820 -0.191 0.000 2.386 410 A HA 0.601 4.899 4.320 -0.036 0.000 0.248 410 A C -0.653 176.932 177.584 0.002 0.000 1.082 410 A CA -0.281 51.694 52.037 -0.103 0.000 0.789 410 A CB -0.402 18.487 19.000 -0.185 0.000 1.025 410 A HN 0.925 nan 8.150 nan 0.000 0.490 411 F N 2.997 122.917 119.950 -0.049 0.000 2.391 411 F HA 0.507 5.010 4.527 -0.040 0.000 0.359 411 F C -2.068 173.759 175.800 0.045 0.000 1.122 411 F CA -2.602 55.383 58.000 -0.024 0.000 1.120 411 F CB 0.978 39.961 39.000 -0.030 0.000 1.142 411 F HN 0.304 nan 8.300 nan 0.000 0.483 412 P HA -0.006 nan 4.420 nan 0.000 0.268 412 P C -0.764 176.379 177.300 -0.262 0.000 1.204 412 P CA -0.114 62.857 63.100 -0.216 0.000 0.768 412 P CB 0.458 32.016 31.700 -0.237 0.000 0.842 413 E N 1.822 121.978 120.200 -0.073 0.000 2.465 413 E HA 0.171 4.499 4.350 -0.036 0.000 0.260 413 E C 1.015 177.568 176.600 -0.080 0.000 0.980 413 E CA 0.829 57.204 56.400 -0.041 0.000 0.927 413 E CB -0.463 29.223 29.700 -0.024 0.000 0.934 413 E HN 0.773 nan 8.360 nan 0.000 0.459 414 G N 2.764 111.537 108.800 -0.044 0.000 2.157 414 G HA2 -0.197 3.742 3.960 -0.036 0.000 0.248 414 G HA3 -0.197 3.742 3.960 -0.036 0.000 0.248 414 G C 0.623 175.475 174.900 -0.080 0.000 0.979 414 G CA 0.079 45.155 45.100 -0.041 0.000 0.650 414 G HN 1.445 nan 8.290 nan 0.000 0.529 415 G N -1.666 107.012 108.800 -0.203 0.000 2.725 415 G HA2 0.384 4.323 3.960 -0.036 0.000 0.220 415 G HA3 0.384 4.323 3.960 -0.036 0.000 0.220 415 G C -0.118 174.563 174.900 -0.364 0.000 1.357 415 G CA 0.883 45.809 45.100 -0.289 0.000 0.866 415 G HN 2.248 nan 8.290 nan 0.000 0.548 416 S N -1.358 114.212 115.700 -0.217 0.000 2.535 416 S HA 0.561 5.010 4.470 -0.036 0.000 0.272 416 S C -0.144 174.420 174.600 -0.059 0.000 1.149 416 S CA 0.428 58.519 58.200 -0.183 0.000 0.888 416 S CB 1.654 64.677 63.200 -0.295 0.000 1.110 416 S HN 0.606 nan 8.310 nan 0.000 0.463 417 D N 2.712 123.078 120.400 -0.056 0.000 2.349 417 D HA 0.147 4.765 4.640 -0.036 0.000 0.215 417 D C 0.495 176.771 176.300 -0.040 0.000 1.016 417 D CA 0.629 54.642 54.000 0.022 0.000 0.870 417 D CB 0.006 40.831 40.800 0.041 0.000 0.917 417 D HN 0.629 nan 8.370 nan 0.000 0.524 418 N N -0.679 117.814 118.700 -0.344 0.000 2.143 418 N HA 0.261 4.979 4.740 -0.036 0.000 0.229 418 N C -0.363 174.390 175.510 -1.261 0.000 1.294 418 N CA -0.025 52.608 53.050 -0.695 0.000 0.883 418 N CB 1.718 40.058 38.487 -0.245 0.000 1.148 418 N HN -0.015 nan 8.380 nan 0.000 0.511 419 I N 0.041 120.014 120.570 -0.994 0.000 2.692 419 I HA 0.301 4.449 4.170 -0.036 0.000 0.293 419 I C -0.754 175.374 176.117 0.018 0.000 1.200 419 I CA -0.720 60.322 61.300 -0.430 0.000 1.036 419 I CB 2.294 40.224 38.000 -0.115 0.000 1.258 419 I HN -0.144 nan 8.210 nan 0.000 0.421 420 S N 3.605 119.462 115.700 0.260 0.000 2.578 420 S HA 0.342 4.791 4.470 -0.036 0.000 0.283 420 S C -0.497 174.108 174.600 0.008 0.000 1.195 420 S CA -0.525 57.854 58.200 0.299 0.000 1.050 420 S CB 1.608 65.010 63.200 0.337 0.000 1.012 420 S HN 0.558 nan 8.310 nan 0.000 0.511 421 Q N 1.729 121.255 119.800 -0.456 0.000 2.256 421 Q HA 0.399 4.717 4.340 -0.036 0.000 0.254 421 Q C -0.022 175.759 176.000 -0.365 0.000 0.916 421 Q CA -0.270 55.034 55.803 -0.831 0.000 0.932 421 Q CB 0.525 28.386 28.738 -1.461 0.000 1.207 421 Q HN 0.707 nan 8.270 nan 0.000 0.426 422 L N 2.014 123.042 121.223 -0.325 0.000 2.500 422 L HA 0.538 4.856 4.340 -0.036 0.000 0.219 422 L C 0.341 177.062 176.870 -0.249 0.000 1.057 422 L CA 0.110 54.794 54.840 -0.261 0.000 0.854 422 L CB 0.600 42.383 42.059 -0.461 0.000 1.078 422 L HN 0.630 nan 8.230 nan 0.000 0.480 423 A N -1.004 121.638 122.820 -0.296 0.000 2.599 423 A HA 0.643 4.941 4.320 -0.036 0.000 0.290 423 A C -2.737 174.768 177.584 -0.133 0.000 1.101 423 A CA -1.029 50.908 52.037 -0.167 0.000 0.674 423 A CB 0.399 19.300 19.000 -0.165 0.000 1.277 423 A HN -0.228 nan 8.150 nan 0.000 0.419 424 P HA 0.281 nan 4.420 nan 0.000 0.257 424 P C 1.004 178.311 177.300 0.011 0.000 1.189 424 P CA 2.336 65.429 63.100 -0.012 0.000 0.780 424 P CB 0.259 31.970 31.700 0.018 0.000 0.772 425 G N 2.348 111.179 108.800 0.053 0.000 2.184 425 G HA2 -0.278 3.661 3.960 -0.036 0.000 0.264 425 G HA3 -0.278 3.661 3.960 -0.036 0.000 0.264 425 G C -0.183 174.766 174.900 0.082 0.000 0.975 425 G CA -0.125 45.040 45.100 0.108 0.000 0.642 425 G HN 0.565 nan 8.290 nan 0.000 0.536 426 L N 1.823 123.028 121.223 -0.030 0.000 2.272 426 L HA 0.788 5.106 4.340 -0.036 0.000 0.289 426 L C 0.707 177.503 176.870 -0.124 0.000 1.032 426 L CA 0.156 54.916 54.840 -0.133 0.000 0.810 426 L CB 1.139 42.991 42.059 -0.345 0.000 1.205 426 L HN 0.370 nan 8.230 nan 0.000 0.422 427 G N 3.392 112.184 108.800 -0.014 0.000 2.471 427 G HA2 0.756 4.695 3.960 -0.036 0.000 0.332 427 G HA3 0.756 4.695 3.960 -0.036 0.000 0.332 427 G C -1.545 173.364 174.900 0.016 0.000 1.176 427 G CA -0.339 44.811 45.100 0.083 0.000 0.949 427 G HN 0.931 nan 8.290 nan 0.000 0.488 428 A N 1.584 124.455 122.820 0.085 0.000 2.410 428 A HA 0.751 5.050 4.320 -0.036 0.000 0.289 428 A C -2.784 174.925 177.584 0.209 0.000 1.200 428 A CA -1.368 50.754 52.037 0.142 0.000 0.751 428 A CB 1.579 20.656 19.000 0.128 0.000 1.161 428 A HN 0.409 nan 8.150 nan 0.000 0.459 429 P HA 0.164 nan 4.420 nan 0.000 0.265 429 P C -0.359 177.184 177.300 0.404 0.000 1.193 429 P CA 0.247 63.471 63.100 0.206 0.000 0.765 429 P CB 0.136 31.989 31.700 0.254 0.000 0.823 430 F N 3.527 123.565 119.950 0.145 0.000 2.553 430 F HA 0.193 4.700 4.527 -0.034 0.000 0.356 430 F C 1.656 177.370 175.800 -0.145 0.000 1.142 430 F CA 0.511 58.488 58.000 -0.039 0.000 1.322 430 F CB -0.520 38.460 39.000 -0.034 0.000 1.126 430 F HN 0.501 nan 8.300 nan 0.000 0.599 431 H N -0.231 118.655 119.070 -0.307 0.000 2.932 431 H HA 0.494 5.029 4.556 -0.035 0.000 0.307 431 H C -1.802 173.217 175.328 -0.515 0.000 1.391 431 H CA -1.134 54.535 56.048 -0.631 0.000 1.130 431 H CB 1.306 30.252 29.762 -1.360 0.000 1.836 431 H HN 0.586 nan 8.280 nan 0.000 0.522 432 Q N 0.278 119.786 119.800 -0.487 0.000 2.433 432 Q HA 0.399 4.717 4.340 -0.036 0.000 0.279 432 Q C -0.974 174.779 176.000 -0.412 0.000 1.105 432 Q CA -0.989 54.585 55.803 -0.383 0.000 0.815 432 Q CB 2.852 31.425 28.738 -0.275 0.000 1.403 432 Q HN 0.544 nan 8.270 nan 0.000 0.435 433 H N 1.325 120.320 119.070 -0.126 0.000 2.708 433 H HA 0.467 5.001 4.556 -0.036 0.000 0.320 433 H C -0.851 174.276 175.328 -0.335 0.000 0.991 433 H CA -0.302 55.620 56.048 -0.210 0.000 1.243 433 H CB 0.866 30.601 29.762 -0.045 0.000 1.446 433 H HN 0.434 nan 8.280 nan 0.000 0.502 434 I N 3.922 124.253 120.570 -0.399 0.000 2.436 434 I HA 0.254 4.402 4.170 -0.036 0.000 0.289 434 I C -0.688 175.145 176.117 -0.473 0.000 1.010 434 I CA -0.617 60.489 61.300 -0.322 0.000 1.098 434 I CB 1.312 39.182 38.000 -0.217 0.000 1.266 434 I HN 0.248 nan 8.210 nan 0.000 0.434 435 F N 3.070 122.771 119.950 -0.414 0.000 2.470 435 F HA 0.530 5.036 4.527 -0.036 0.000 0.329 435 F C 0.571 176.160 175.800 -0.352 0.000 1.072 435 F CA -0.771 56.933 58.000 -0.493 0.000 0.989 435 F CB 1.922 40.305 39.000 -1.029 0.000 1.193 435 F HN 0.261 nan 8.300 nan 0.000 0.481 436 S N 1.469 117.192 115.700 0.038 0.000 2.596 436 S HA 0.773 5.222 4.470 -0.036 0.000 0.318 436 S C -0.814 173.887 174.600 0.168 0.000 1.097 436 S CA -0.556 57.698 58.200 0.090 0.000 1.080 436 S CB 0.469 63.567 63.200 -0.170 0.000 0.991 436 S HN 0.810 nan 8.310 nan 0.000 0.471 437 A N 4.922 127.901 122.820 0.266 0.000 2.276 437 A HA 0.588 4.887 4.320 -0.036 0.000 0.300 437 A C 0.187 177.805 177.584 0.057 0.000 1.235 437 A CA -0.644 51.514 52.037 0.202 0.000 0.867 437 A CB 0.322 19.434 19.000 0.186 0.000 1.137 437 A HN 0.855 nan 8.150 nan 0.000 0.527 438 R N 3.530 123.996 120.500 -0.057 0.000 2.215 438 R HA 0.519 4.837 4.340 -0.036 0.000 0.336 438 R C -1.544 174.576 176.300 -0.301 0.000 0.996 438 R CA -0.340 55.522 56.100 -0.397 0.000 0.847 438 R CB 0.266 30.204 30.300 -0.604 0.000 1.127 438 R HN 0.719 nan 8.270 nan 0.000 0.465 439 L N 4.551 125.590 121.223 -0.307 0.000 2.337 439 L HA 0.250 4.568 4.340 -0.036 0.000 0.269 439 L C -0.410 176.337 176.870 -0.204 0.000 1.018 439 L CA -0.882 53.851 54.840 -0.179 0.000 0.876 439 L CB 1.379 43.394 42.059 -0.073 0.000 1.236 439 L HN 0.538 nan 8.230 nan 0.000 0.436 440 D N 4.704 124.991 120.400 -0.188 0.000 2.367 440 D HA 0.131 4.749 4.640 -0.036 0.000 0.255 440 D C 0.183 176.452 176.300 -0.051 0.000 1.300 440 D CA -0.135 53.806 54.000 -0.099 0.000 0.959 440 D CB 0.594 41.354 40.800 -0.066 0.000 1.064 440 D HN 0.143 nan 8.370 nan 0.000 0.509 441 M N 2.317 121.904 119.600 -0.022 0.000 2.243 441 M HA 0.371 4.830 4.480 -0.036 0.000 0.341 441 M C 0.376 176.657 176.300 -0.032 0.000 1.130 441 M CA -0.490 54.792 55.300 -0.030 0.000 1.162 441 M CB 0.894 33.495 32.600 0.002 0.000 1.497 441 M HN 0.480 nan 8.290 nan 0.000 0.456 442 A N 3.616 126.357 122.820 -0.133 0.000 3.448 442 A HA 0.392 4.690 4.320 -0.036 0.000 0.232 442 A C -0.376 177.099 177.584 -0.183 0.000 1.018 442 A CA -0.545 51.324 52.037 -0.281 0.000 0.996 442 A CB 0.088 18.737 19.000 -0.585 0.000 1.283 442 A HN 0.616 nan 8.150 nan 0.000 0.586 443 I N 1.597 122.129 120.570 -0.063 0.000 2.680 443 I HA 0.042 4.191 4.170 -0.036 0.000 0.286 443 I C 0.417 176.589 176.117 0.091 0.000 1.144 443 I CA 0.855 62.192 61.300 0.062 0.000 1.370 443 I CB -0.916 37.161 38.000 0.127 0.000 1.420 443 I HN 0.502 nan 8.210 nan 0.000 0.540 444 D N 5.023 125.506 120.400 0.138 0.000 2.837 444 D HA -0.158 4.461 4.640 -0.036 0.000 0.230 444 D C 0.672 176.937 176.300 -0.059 0.000 1.152 444 D CA 1.680 55.696 54.000 0.026 0.000 0.736 444 D CB -0.724 40.048 40.800 -0.047 0.000 1.084 444 D HN 1.135 nan 8.370 nan 0.000 0.429 445 G N -2.192 106.517 108.800 -0.152 0.000 2.384 445 G HA2 -0.118 3.820 3.960 -0.036 0.000 0.668 445 G HA3 -0.118 3.820 3.960 -0.036 0.000 0.668 445 G C 0.290 175.027 174.900 -0.271 0.000 1.280 445 G CA -0.346 44.603 45.100 -0.252 0.000 0.992 445 G HN 0.057 nan 8.290 nan 0.000 0.512 446 F N 0.727 120.671 119.950 -0.010 0.000 2.615 446 F HA 0.223 4.728 4.527 -0.036 0.000 0.297 446 F C 2.314 178.114 175.800 0.001 0.000 1.124 446 F CA 1.234 59.222 58.000 -0.021 0.000 1.451 446 F CB 0.298 39.272 39.000 -0.045 0.000 1.103 446 F HN 0.296 nan 8.300 nan 0.000 0.569 447 T N 2.390 117.037 114.554 0.154 0.000 2.978 447 T HA 0.137 4.465 4.350 -0.036 0.000 0.278 447 T C -0.108 174.643 174.700 0.085 0.000 0.945 447 T CA 0.007 62.172 62.100 0.109 0.000 1.070 447 T CB -0.836 68.080 68.868 0.079 0.000 0.948 447 T HN 0.207 nan 8.240 nan 0.000 0.617 448 N N 2.112 120.870 118.700 0.097 0.000 2.381 448 N HA 0.734 5.453 4.740 -0.036 0.000 0.294 448 N C -0.368 175.195 175.510 0.089 0.000 1.216 448 N CA -1.290 51.812 53.050 0.087 0.000 0.803 448 N CB 2.079 40.619 38.487 0.089 0.000 1.372 448 N HN 0.479 nan 8.380 nan 0.000 0.500 449 R N -0.818 119.735 120.500 0.088 0.000 2.764 449 R HA 0.636 4.954 4.340 -0.036 0.000 0.270 449 R C -2.049 174.312 176.300 0.102 0.000 1.014 449 R CA -0.729 55.425 56.100 0.090 0.000 0.904 449 R CB 1.028 31.375 30.300 0.078 0.000 1.236 449 R HN 0.207 nan 8.270 nan 0.000 0.466 450 V N 1.256 121.237 119.914 0.112 0.000 2.495 450 V HA 0.413 4.512 4.120 -0.036 0.000 0.298 450 V C -0.503 175.677 176.094 0.143 0.000 1.031 450 V CA -0.729 61.654 62.300 0.138 0.000 0.871 450 V CB 1.714 33.627 31.823 0.149 0.000 0.988 450 V HN 0.770 nan 8.190 nan 0.000 0.432 451 E N 2.245 122.535 120.200 0.150 0.000 2.212 451 E HA 0.436 4.764 4.350 -0.036 0.000 0.268 451 E C -0.859 175.833 176.600 0.153 0.000 0.902 451 E CA -0.643 55.832 56.400 0.126 0.000 0.779 451 E CB 2.644 32.387 29.700 0.072 0.000 1.172 451 E HN 0.735 nan 8.360 nan 0.000 0.409 452 E N 2.565 122.839 120.200 0.125 0.000 2.167 452 E HA 0.068 4.396 4.350 -0.036 0.000 0.284 452 E C -1.001 175.524 176.600 -0.125 0.000 1.016 452 E CA -0.255 56.129 56.400 -0.027 0.000 0.817 452 E CB 0.886 30.632 29.700 0.076 0.000 1.080 452 E HN 0.396 nan 8.360 nan 0.000 0.397 453 E N 4.315 124.365 120.200 -0.250 0.000 2.145 453 E HA 0.186 4.514 4.350 -0.036 0.000 0.270 453 E C -1.287 175.188 176.600 -0.209 0.000 0.906 453 E CA -0.823 55.472 56.400 -0.174 0.000 0.761 453 E CB 0.951 30.568 29.700 -0.139 0.000 1.116 453 E HN 0.416 nan 8.360 nan 0.000 0.408 454 D N 2.631 122.955 120.400 -0.126 0.000 2.342 454 D HA 0.242 4.861 4.640 -0.036 0.000 0.243 454 D C -0.407 175.865 176.300 -0.047 0.000 1.019 454 D CA -0.568 53.370 54.000 -0.103 0.000 0.864 454 D CB 2.135 42.889 40.800 -0.076 0.000 1.315 454 D HN 0.167 nan 8.370 nan 0.000 0.468 455 V N 1.327 121.219 119.914 -0.036 0.000 2.740 455 V HA 0.128 4.226 4.120 -0.036 0.000 0.303 455 V C 0.289 176.394 176.094 0.018 0.000 1.054 455 V CA -0.120 62.186 62.300 0.011 0.000 1.106 455 V CB 1.159 32.969 31.823 -0.023 0.000 0.957 455 V HN 0.257 nan 8.190 nan 0.000 0.486 456 V N 6.155 126.107 119.914 0.064 0.000 2.407 456 V HA 0.418 4.517 4.120 -0.036 0.000 0.291 456 V C 0.282 176.430 176.094 0.090 0.000 1.018 456 V CA -0.785 61.548 62.300 0.055 0.000 0.842 456 V CB 1.436 33.287 31.823 0.046 0.000 0.996 456 V HN 0.815 nan 8.190 nan 0.000 0.426 457 R N 3.454 123.987 120.500 0.055 0.000 2.539 457 R HA 0.528 4.846 4.340 -0.036 0.000 0.275 457 R C -0.479 175.857 176.300 0.060 0.000 1.077 457 R CA -0.387 55.752 56.100 0.065 0.000 1.097 457 R CB 0.970 31.285 30.300 0.024 0.000 1.018 457 R HN 0.673 nan 8.270 nan 0.000 0.483 458 Q N 0.408 120.251 119.800 0.071 0.000 2.377 458 Q HA 0.292 4.610 4.340 -0.036 0.000 0.271 458 Q C -0.874 175.149 176.000 0.038 0.000 1.077 458 Q CA -0.704 55.129 55.803 0.049 0.000 0.820 458 Q CB 2.674 31.442 28.738 0.050 0.000 1.347 458 Q HN 0.464 nan 8.270 nan 0.000 0.444 459 T N 2.064 116.633 114.554 0.026 0.000 2.856 459 T HA 0.254 4.582 4.350 -0.036 0.000 0.292 459 T C 0.082 174.793 174.700 0.018 0.000 0.980 459 T CA -0.415 61.697 62.100 0.020 0.000 1.091 459 T CB 0.483 69.359 68.868 0.014 0.000 0.936 459 T HN 0.476 nan 8.240 nan 0.000 0.503 460 M N 3.277 122.888 119.600 0.017 0.000 2.260 460 M HA 0.402 4.860 4.480 -0.036 0.000 0.348 460 M C 0.550 176.856 176.300 0.010 0.000 1.342 460 M CA 1.071 56.380 55.300 0.015 0.000 1.040 460 M CB -0.550 32.058 32.600 0.014 0.000 1.810 460 M HN 0.934 nan 8.290 nan 0.000 0.453 461 G N 4.491 113.296 108.800 0.008 0.000 2.344 461 G HA2 0.234 4.173 3.960 -0.036 0.000 0.282 461 G HA3 0.234 4.173 3.960 -0.036 0.000 0.282 461 G C -3.394 171.509 174.900 0.004 0.000 1.281 461 G CA -1.162 43.941 45.100 0.006 0.000 0.877 461 G HN 0.408 nan 8.290 nan 0.000 0.494 462 P HA 0.314 nan 4.420 nan 0.000 0.261 462 P C 1.028 178.328 177.300 0.000 0.000 1.183 462 P CA 2.222 65.323 63.100 0.001 0.000 0.761 462 P CB 0.690 32.390 31.700 0.001 0.000 0.785 463 G N 2.654 111.453 108.800 -0.002 0.000 2.205 463 G HA2 -0.274 3.665 3.960 -0.036 0.000 0.261 463 G HA3 -0.274 3.665 3.960 -0.036 0.000 0.261 463 G C 0.477 175.374 174.900 -0.005 0.000 0.980 463 G CA 0.318 45.416 45.100 -0.004 0.000 0.632 463 G HN 0.674 nan 8.290 nan 0.000 0.533 464 N N -0.015 118.685 118.700 -0.001 0.000 2.620 464 N HA 0.340 5.059 4.740 -0.036 0.000 0.277 464 N C 0.838 176.351 175.510 0.006 0.000 1.726 464 N CA 0.302 53.354 53.050 0.002 0.000 0.840 464 N CB 0.447 38.938 38.487 0.007 0.000 1.379 464 N HN 0.175 nan 8.380 nan 0.000 0.506 465 E N -0.050 120.152 120.200 0.004 0.000 2.204 465 E HA 0.071 4.399 4.350 -0.036 0.000 0.194 465 E C 1.190 177.794 176.600 0.007 0.000 0.989 465 E CA 1.042 57.444 56.400 0.005 0.000 0.824 465 E CB 0.188 29.890 29.700 0.003 0.000 0.756 465 E HN 0.365 nan 8.360 nan 0.000 0.477 466 R N -0.717 119.788 120.500 0.009 0.000 2.300 466 R HA 0.150 4.468 4.340 -0.036 0.000 0.199 466 R C 0.729 177.040 176.300 0.018 0.000 0.920 466 R CA 0.525 56.632 56.100 0.012 0.000 1.046 466 R CB 0.403 30.710 30.300 0.011 0.000 0.984 466 R HN 0.212 nan 8.270 nan 0.000 0.493 467 G N 2.515 111.327 108.800 0.020 0.000 2.221 467 G HA2 -0.283 3.655 3.960 -0.036 0.000 0.265 467 G HA3 -0.283 3.655 3.960 -0.036 0.000 0.265 467 G C 0.425 175.351 174.900 0.044 0.000 1.041 467 G CA 0.649 45.766 45.100 0.028 0.000 0.807 467 G HN 0.565 nan 8.290 nan 0.000 0.502 468 N N -0.470 118.258 118.700 0.046 0.000 2.322 468 N HA 0.373 5.092 4.740 -0.036 0.000 0.181 468 N C 1.090 176.663 175.510 0.104 0.000 1.088 468 N CA 0.726 53.821 53.050 0.074 0.000 0.885 468 N CB 0.072 38.590 38.487 0.052 0.000 1.013 468 N HN 1.006 nan 8.380 nan 0.000 0.472 469 A N 0.968 123.822 122.820 0.057 0.000 2.462 469 A HA 0.457 4.756 4.320 -0.036 0.000 0.243 469 A C -0.411 177.249 177.584 0.126 0.000 1.076 469 A CA -0.289 51.756 52.037 0.014 0.000 0.773 469 A CB -0.361 18.630 19.000 -0.015 0.000 1.010 469 A HN 0.466 nan 8.150 nan 0.000 0.493 470 F N 0.188 120.134 119.950 -0.007 0.000 2.643 470 F HA 0.853 5.359 4.527 -0.036 0.000 0.314 470 F C -0.241 175.553 175.800 -0.010 0.000 1.096 470 F CA -0.478 57.517 58.000 -0.009 0.000 0.953 470 F CB 1.092 40.087 39.000 -0.009 0.000 1.345 470 F HN 0.620 nan 8.300 nan 0.000 0.468 471 S N 0.157 115.968 115.700 0.186 0.000 2.973 471 S HA 0.872 5.321 4.470 -0.036 0.000 0.317 471 S C -1.538 173.139 174.600 0.129 0.000 1.196 471 S CA -0.833 57.403 58.200 0.059 0.000 0.894 471 S CB 1.578 64.785 63.200 0.011 0.000 1.292 471 S HN 1.115 nan 8.310 nan 0.000 0.614 472 R N 0.252 120.787 120.500 0.057 0.000 2.752 472 R HA 0.691 5.010 4.340 -0.036 0.000 0.271 472 R C -1.911 174.397 176.300 0.014 0.000 1.026 472 R CA -1.096 55.029 56.100 0.042 0.000 0.901 472 R CB 1.175 31.497 30.300 0.038 0.000 1.243 472 R HN 0.671 nan 8.270 nan 0.000 0.463 473 K N 1.035 121.435 120.400 0.000 0.000 2.469 473 K HA 0.579 4.878 4.320 -0.036 0.000 0.254 473 K C -1.149 175.442 176.600 -0.015 0.000 0.939 473 K CA -1.159 55.125 56.287 -0.004 0.000 0.812 473 K CB 2.737 35.236 32.500 -0.002 0.000 1.301 473 K HN 0.595 nan 8.250 nan 0.000 0.433 474 R N 1.100 121.596 120.500 -0.006 0.000 2.534 474 R HA 0.388 4.707 4.340 -0.036 0.000 0.301 474 R C -1.087 175.220 176.300 0.012 0.000 0.961 474 R CA -0.928 55.170 56.100 -0.003 0.000 0.871 474 R CB 2.497 32.800 30.300 0.004 0.000 1.170 474 R HN 0.649 nan 8.270 nan 0.000 0.446 475 T N 2.247 116.814 114.554 0.022 0.000 2.791 475 T HA 0.220 4.548 4.350 -0.036 0.000 0.288 475 T C -0.002 174.734 174.700 0.059 0.000 0.999 475 T CA -0.618 61.504 62.100 0.037 0.000 0.952 475 T CB 1.516 70.407 68.868 0.038 0.000 0.938 475 T HN 0.156 nan 8.240 nan 0.000 0.444 476 V N 5.116 125.063 119.914 0.055 0.000 2.572 476 V HA 0.182 4.280 4.120 -0.036 0.000 0.291 476 V C 0.423 176.561 176.094 0.073 0.000 1.039 476 V CA -0.429 61.911 62.300 0.067 0.000 1.055 476 V CB 0.307 32.164 31.823 0.056 0.000 0.969 476 V HN 0.715 nan 8.190 nan 0.000 0.482 477 L N 5.549 126.826 121.223 0.090 0.000 2.268 477 L HA 0.259 4.577 4.340 -0.036 0.000 0.289 477 L C 1.485 178.401 176.870 0.078 0.000 1.064 477 L CA -0.139 54.754 54.840 0.087 0.000 0.824 477 L CB 0.801 42.923 42.059 0.106 0.000 1.202 477 L HN 0.913 nan 8.230 nan 0.000 0.433 478 T N -0.211 114.381 114.554 0.065 0.000 3.044 478 T HA 0.167 4.495 4.350 -0.036 0.000 0.255 478 T C 0.955 175.692 174.700 0.061 0.000 1.073 478 T CA 0.163 62.298 62.100 0.059 0.000 1.125 478 T CB 0.309 69.206 68.868 0.048 0.000 0.908 478 T HN 0.474 nan 8.240 nan 0.000 0.480 479 R N 0.093 120.630 120.500 0.061 0.000 2.774 479 R HA 0.424 4.742 4.340 -0.036 0.000 0.272 479 R C 0.302 176.645 176.300 0.071 0.000 1.000 479 R CA -0.703 55.434 56.100 0.063 0.000 0.906 479 R CB 1.580 31.910 30.300 0.051 0.000 1.227 479 R HN 0.090 nan 8.270 nan 0.000 0.468 480 E N 0.487 120.735 120.200 0.081 0.000 2.160 480 E HA -0.189 4.140 4.350 -0.036 0.000 0.195 480 E C 1.507 178.155 176.600 0.080 0.000 0.991 480 E CA 1.913 58.372 56.400 0.099 0.000 0.810 480 E CB 0.093 29.862 29.700 0.115 0.000 0.742 480 E HN 0.595 nan 8.360 nan 0.000 0.466 481 S N 1.281 117.017 115.700 0.059 0.000 2.419 481 S HA -0.189 4.260 4.470 -0.036 0.000 0.233 481 S C 1.670 176.282 174.600 0.021 0.000 1.016 481 S CA 1.302 59.526 58.200 0.040 0.000 0.974 481 S CB -0.295 62.925 63.200 0.033 0.000 0.786 481 S HN 0.453 nan 8.310 nan 0.000 0.492 482 E N 0.523 120.740 120.200 0.028 0.000 2.451 482 E HA 0.504 4.833 4.350 -0.036 0.000 0.194 482 E C 0.802 177.414 176.600 0.020 0.000 1.027 482 E CA 0.185 56.597 56.400 0.019 0.000 0.914 482 E CB 0.293 30.012 29.700 0.031 0.000 1.054 482 E HN 0.530 nan 8.360 nan 0.000 0.461 483 A N 0.962 123.793 122.820 0.018 0.000 2.574 483 A HA 0.319 4.617 4.320 -0.036 0.000 0.283 483 A C 0.098 177.643 177.584 -0.066 0.000 1.270 483 A CA -0.316 51.734 52.037 0.022 0.000 0.945 483 A CB 0.389 19.439 19.000 0.083 0.000 1.127 483 A HN 0.115 nan 8.150 nan 0.000 0.522 484 V N 2.587 122.394 119.914 -0.179 0.000 2.311 484 V HA 0.443 4.542 4.120 -0.036 0.000 0.275 484 V C -0.442 175.442 176.094 -0.349 0.000 1.022 484 V CA -0.653 61.361 62.300 -0.476 0.000 0.830 484 V CB 0.519 31.954 31.823 -0.647 0.000 1.012 484 V HN 0.452 nan 8.190 nan 0.000 0.452 485 R N 3.458 123.761 120.500 -0.328 0.000 2.803 485 R HA 0.620 4.939 4.340 -0.036 0.000 0.276 485 R C -0.207 176.057 176.300 -0.059 0.000 0.978 485 R CA -0.718 55.325 56.100 -0.094 0.000 0.939 485 R CB 2.370 32.720 30.300 0.083 0.000 1.179 485 R HN 0.904 nan 8.270 nan 0.000 0.472 486 E N 0.671 120.928 120.200 0.095 0.000 2.235 486 E HA 0.700 5.029 4.350 -0.036 0.000 0.265 486 E C -0.742 176.057 176.600 0.333 0.000 0.940 486 E CA -1.051 55.436 56.400 0.145 0.000 0.819 486 E CB 1.659 31.403 29.700 0.072 0.000 1.206 486 E HN 0.532 nan 8.360 nan 0.000 0.409 487 A N 1.436 124.452 122.820 0.327 0.000 2.425 487 A HA 0.179 4.478 4.320 -0.036 0.000 0.242 487 A C -0.239 177.443 177.584 0.163 0.000 1.077 487 A CA 0.042 52.282 52.037 0.338 0.000 0.781 487 A CB 0.283 19.463 19.000 0.300 0.000 1.020 487 A HN 0.691 nan 8.150 nan 0.000 0.494 488 D N 0.698 121.145 120.400 0.078 0.000 2.381 488 D HA 0.453 5.072 4.640 -0.036 0.000 0.245 488 D C 0.705 177.005 176.300 0.001 0.000 1.297 488 D CA 0.273 54.289 54.000 0.027 0.000 0.931 488 D CB 0.812 41.610 40.800 -0.003 0.000 1.334 488 D HN 0.462 nan 8.370 nan 0.000 0.535 489 A N 3.295 126.134 122.820 0.032 0.000 1.933 489 A HA -0.154 4.144 4.320 -0.036 0.000 0.218 489 A C 2.063 179.646 177.584 -0.003 0.000 1.175 489 A CA 1.216 53.268 52.037 0.024 0.000 0.628 489 A CB -0.234 18.796 19.000 0.050 0.000 0.814 489 A HN 0.514 nan 8.150 nan 0.000 0.444 490 R N -0.037 120.460 120.500 -0.005 0.000 2.127 490 R HA -0.133 4.186 4.340 -0.036 0.000 0.238 490 R C 1.604 177.882 176.300 -0.036 0.000 1.134 490 R CA 1.965 58.054 56.100 -0.018 0.000 0.975 490 R CB -0.355 29.939 30.300 -0.011 0.000 0.865 490 R HN 0.594 nan 8.270 nan 0.000 0.447 491 T N -3.494 111.036 114.554 -0.040 0.000 3.186 491 T HA 0.243 4.571 4.350 -0.036 0.000 0.257 491 T C 0.861 175.518 174.700 -0.072 0.000 1.029 491 T CA 0.219 62.287 62.100 -0.054 0.000 0.916 491 T CB 0.748 69.587 68.868 -0.048 0.000 1.041 491 T HN 0.371 nan 8.240 nan 0.000 0.562 492 G N 2.332 111.092 108.800 -0.067 0.000 2.305 492 G HA2 -0.336 3.602 3.960 -0.036 0.000 0.287 492 G HA3 -0.336 3.602 3.960 -0.036 0.000 0.287 492 G C 0.027 174.845 174.900 -0.136 0.000 1.036 492 G CA 0.173 45.231 45.100 -0.070 0.000 0.887 492 G HN 0.897 nan 8.290 nan 0.000 0.505 493 R N 0.653 121.034 120.500 -0.198 0.000 2.484 493 R HA 0.430 4.748 4.340 -0.036 0.000 0.293 493 R C 0.940 176.868 176.300 -0.620 0.000 1.023 493 R CA 0.976 56.833 56.100 -0.404 0.000 1.037 493 R CB 0.219 30.266 30.300 -0.422 0.000 0.951 493 R HN 0.459 nan 8.270 nan 0.000 0.418 494 T N 0.723 114.836 114.554 -0.735 0.000 2.831 494 T HA 0.546 4.875 4.350 -0.036 0.000 0.287 494 T C -0.929 173.228 174.700 -0.905 0.000 1.070 494 T CA -0.957 60.692 62.100 -0.752 0.000 1.010 494 T CB 1.248 69.841 68.868 -0.459 0.000 1.264 494 T HN 0.557 nan 8.240 nan 0.000 0.532 495 W N 0.533 121.777 121.300 -0.093 0.000 2.739 495 W HA 0.589 5.227 4.660 -0.036 0.000 0.331 495 W C -1.156 175.342 176.519 -0.035 0.000 1.049 495 W CA -1.158 56.160 57.345 -0.045 0.000 1.234 495 W CB 1.598 31.042 29.460 -0.027 0.000 1.404 495 W HN 0.571 nan 8.180 nan 0.000 0.477 496 I N 4.367 125.035 120.570 0.163 0.000 2.354 496 I HA 0.281 4.430 4.170 -0.036 0.000 0.292 496 I C -0.311 175.895 176.117 0.148 0.000 0.989 496 I CA -0.980 60.393 61.300 0.122 0.000 1.188 496 I CB 1.279 39.320 38.000 0.068 0.000 1.342 496 I HN 0.085 nan 8.210 nan 0.000 0.457 497 I N 6.136 126.799 120.570 0.155 0.000 2.315 497 I HA 0.289 4.437 4.170 -0.036 0.000 0.291 497 I C 0.389 176.592 176.117 0.142 0.000 1.006 497 I CA 0.283 61.666 61.300 0.138 0.000 1.265 497 I CB 1.197 39.270 38.000 0.121 0.000 1.387 497 I HN 0.585 nan 8.210 nan 0.000 0.475 498 S N 4.123 119.894 115.700 0.118 0.000 2.671 498 S HA 0.571 5.020 4.470 -0.036 0.000 0.299 498 S C -0.714 173.941 174.600 0.092 0.000 1.116 498 S CA -0.953 57.315 58.200 0.112 0.000 0.912 498 S CB 1.941 65.193 63.200 0.087 0.000 1.130 498 S HN 0.520 nan 8.310 nan 0.000 0.501 499 N N 1.862 120.609 118.700 0.078 0.000 2.501 499 N HA 0.378 5.096 4.740 -0.036 0.000 0.245 499 N C -1.960 173.570 175.510 0.033 0.000 0.974 499 N CA -2.292 50.789 53.050 0.052 0.000 0.941 499 N CB 1.510 40.019 38.487 0.036 0.000 1.122 499 N HN 0.388 nan 8.380 nan 0.000 0.507 500 P HA -0.042 nan 4.420 nan 0.000 0.226 500 P C 0.073 177.382 177.300 0.015 0.000 1.153 500 P CA 1.116 64.232 63.100 0.026 0.000 0.777 500 P CB 0.522 32.242 31.700 0.033 0.000 0.794 501 E N -0.924 119.284 120.200 0.012 0.000 2.474 501 E HA 0.113 4.442 4.350 -0.036 0.000 0.195 501 E C 0.337 176.929 176.600 -0.013 0.000 1.039 501 E CA -0.015 56.387 56.400 0.004 0.000 0.881 501 E CB 0.317 30.024 29.700 0.011 0.000 0.970 501 E HN 0.001 nan 8.360 nan 0.000 0.486 502 S N 1.477 117.163 115.700 -0.024 0.000 2.640 502 S HA 0.230 4.679 4.470 -0.036 0.000 0.320 502 S C -0.799 173.759 174.600 -0.070 0.000 1.097 502 S CA -0.820 57.347 58.200 -0.056 0.000 1.092 502 S CB 0.272 63.424 63.200 -0.079 0.000 0.988 502 S HN -0.090 nan 8.310 nan 0.000 0.470 503 K N 3.276 123.635 120.400 -0.069 0.000 2.156 503 K HA 0.382 4.680 4.320 -0.036 0.000 0.254 503 K C 0.133 176.678 176.600 -0.091 0.000 0.950 503 K CA -0.839 55.408 56.287 -0.066 0.000 0.849 503 K CB 1.022 33.497 32.500 -0.041 0.000 1.100 503 K HN 0.794 nan 8.250 nan 0.000 0.434 504 N N 0.324 118.971 118.700 -0.089 0.000 2.366 504 N HA 0.045 4.764 4.740 -0.036 0.000 0.277 504 N C 0.804 176.281 175.510 -0.055 0.000 1.275 504 N CA -0.351 52.644 53.050 -0.091 0.000 0.964 504 N CB 0.350 38.786 38.487 -0.084 0.000 1.167 504 N HN 0.544 nan 8.380 nan 0.000 0.568 505 R N -0.747 119.727 120.500 -0.043 0.000 2.237 505 R HA 0.051 4.370 4.340 -0.036 0.000 0.219 505 R C 0.650 176.937 176.300 -0.022 0.000 1.080 505 R CA 1.010 57.093 56.100 -0.028 0.000 0.995 505 R CB -0.716 29.573 30.300 -0.019 0.000 0.875 505 R HN 0.541 nan 8.270 nan 0.000 0.462 506 L N 1.270 122.480 121.223 -0.022 0.000 2.629 506 L HA 0.148 4.467 4.340 -0.036 0.000 0.230 506 L C 0.303 177.162 176.870 -0.018 0.000 1.151 506 L CA -0.028 54.802 54.840 -0.017 0.000 0.924 506 L CB -0.718 41.332 42.059 -0.014 0.000 1.137 506 L HN 0.444 nan 8.230 nan 0.000 0.457 507 N N 1.231 119.918 118.700 -0.022 0.000 2.747 507 N HA -0.164 4.555 4.740 -0.036 0.000 0.249 507 N C -0.330 175.170 175.510 -0.018 0.000 1.107 507 N CA 0.231 53.269 53.050 -0.020 0.000 0.707 507 N CB -0.036 38.442 38.487 -0.015 0.000 1.054 507 N HN 0.405 nan 8.380 nan 0.000 0.555 508 E N 0.354 120.541 120.200 -0.021 0.000 2.183 508 E HA 0.377 4.706 4.350 -0.036 0.000 0.271 508 E C -2.490 174.098 176.600 -0.020 0.000 0.919 508 E CA -1.691 54.701 56.400 -0.015 0.000 0.781 508 E CB 1.561 31.255 29.700 -0.011 0.000 1.140 508 E HN 0.139 nan 8.360 nan 0.000 0.402 509 P HA -0.075 nan 4.420 nan 0.000 0.264 509 P C -0.044 177.254 177.300 -0.002 0.000 1.193 509 P CA -0.046 63.051 63.100 -0.005 0.000 0.763 509 P CB 0.328 32.037 31.700 0.015 0.000 0.810 510 V N 1.653 121.553 119.914 -0.024 0.000 2.811 510 V HA 0.761 4.859 4.120 -0.036 0.000 0.302 510 V C 0.513 176.687 176.094 0.134 0.000 1.063 510 V CA 0.208 62.503 62.300 -0.009 0.000 1.088 510 V CB 0.378 32.080 31.823 -0.202 0.000 0.982 510 V HN 0.735 nan 8.190 nan 0.000 0.485 511 G N 2.407 111.341 108.800 0.223 0.000 2.623 511 G HA2 0.603 4.541 3.960 -0.036 0.000 0.290 511 G HA3 0.603 4.541 3.960 -0.036 0.000 0.290 511 G C -2.307 172.732 174.900 0.231 0.000 1.437 511 G CA -0.739 44.500 45.100 0.232 0.000 0.798 511 G HN 0.743 nan 8.290 nan 0.000 0.488 512 Y N -0.095 120.238 120.300 0.056 0.000 2.477 512 Y HA 0.623 5.152 4.550 -0.036 0.000 0.347 512 Y C 0.177 176.112 175.900 0.058 0.000 0.981 512 Y CA -0.775 57.342 58.100 0.030 0.000 1.033 512 Y CB 2.803 41.250 38.460 -0.022 0.000 1.245 512 Y HN 0.490 nan 8.280 nan 0.000 0.455 513 K N 3.838 124.321 120.400 0.138 0.000 2.235 513 K HA 0.505 4.804 4.320 -0.036 0.000 0.266 513 K C -1.630 175.027 176.600 0.096 0.000 0.980 513 K CA -0.866 55.457 56.287 0.060 0.000 0.849 513 K CB 0.951 33.423 32.500 -0.046 0.000 1.098 513 K HN 0.615 nan 8.250 nan 0.000 0.445 514 L N 5.493 126.765 121.223 0.081 0.000 2.281 514 L HA 0.248 4.567 4.340 -0.036 0.000 0.285 514 L C -1.075 175.805 176.870 0.016 0.000 1.074 514 L CA 0.137 55.057 54.840 0.133 0.000 0.817 514 L CB 0.507 42.649 42.059 0.138 0.000 1.168 514 L HN 0.641 nan 8.230 nan 0.000 0.434 515 H N 5.398 124.583 119.070 0.191 0.000 2.581 515 H HA 0.561 5.095 4.556 -0.036 0.000 0.308 515 H C -0.304 175.168 175.328 0.239 0.000 1.040 515 H CA -0.367 55.789 56.048 0.181 0.000 1.231 515 H CB 1.453 31.307 29.762 0.153 0.000 1.396 515 H HN 0.846 nan 8.280 nan 0.000 0.467 516 A N 2.662 125.688 122.820 0.343 0.000 2.264 516 A HA 0.212 4.511 4.320 -0.036 0.000 0.304 516 A C 0.602 178.484 177.584 0.497 0.000 1.100 516 A CA -0.513 51.766 52.037 0.403 0.000 0.839 516 A CB 0.543 19.824 19.000 0.468 0.000 1.121 516 A HN 0.908 nan 8.150 nan 0.000 0.496 517 H N 0.603 119.860 119.070 0.311 0.000 2.535 517 H HA -0.005 4.530 4.556 -0.036 0.000 0.273 517 H C -0.117 175.336 175.328 0.208 0.000 0.983 517 H CA 0.300 56.483 56.048 0.225 0.000 1.238 517 H CB 0.198 30.085 29.762 0.208 0.000 1.412 517 H HN 0.758 nan 8.280 nan 0.000 0.562 518 N N 1.844 120.771 118.700 0.378 0.000 2.754 518 N HA -0.162 4.556 4.740 -0.036 0.000 0.248 518 N C -0.613 175.031 175.510 0.224 0.000 1.093 518 N CA 0.518 53.737 53.050 0.280 0.000 0.699 518 N CB -0.969 37.644 38.487 0.209 0.000 1.016 518 N HN 0.510 nan 8.380 nan 0.000 0.552 519 Q N -0.038 119.911 119.800 0.249 0.000 2.368 519 Q HA 0.332 4.650 4.340 -0.036 0.000 0.237 519 Q C -1.813 174.275 176.000 0.146 0.000 0.987 519 Q CA -1.014 54.902 55.803 0.187 0.000 0.896 519 Q CB 0.161 29.023 28.738 0.207 0.000 1.241 519 Q HN 0.138 nan 8.270 nan 0.000 0.485 520 P HA -0.026 nan 4.420 nan 0.000 0.267 520 P C -0.159 177.171 177.300 0.049 0.000 1.200 520 P CA 0.266 63.407 63.100 0.069 0.000 0.772 520 P CB 0.407 32.135 31.700 0.047 0.000 0.855 521 T N 0.193 114.769 114.554 0.036 0.000 2.891 521 T HA 0.318 4.647 4.350 -0.036 0.000 0.294 521 T C 0.290 174.963 174.700 -0.046 0.000 1.065 521 T CA -0.889 61.212 62.100 0.001 0.000 0.936 521 T CB 0.055 68.933 68.868 0.017 0.000 1.415 521 T HN 0.204 nan 8.240 nan 0.000 0.572 522 L N 0.892 122.062 121.223 -0.089 0.000 2.559 522 L HA 0.200 4.518 4.340 -0.036 0.000 0.274 522 L C 0.749 177.575 176.870 -0.073 0.000 1.205 522 L CA 0.208 54.977 54.840 -0.119 0.000 0.907 522 L CB -0.374 41.584 42.059 -0.169 0.000 1.153 522 L HN 0.647 nan 8.230 nan 0.000 0.490 523 L N 5.018 126.198 121.223 -0.071 0.000 2.416 523 L HA 0.250 4.569 4.340 -0.036 0.000 0.216 523 L C 1.379 178.234 176.870 -0.024 0.000 1.098 523 L CA 0.195 55.014 54.840 -0.035 0.000 0.840 523 L CB -0.474 41.569 42.059 -0.027 0.000 0.981 523 L HN 0.839 nan 8.230 nan 0.000 0.462 524 A N 0.654 123.450 122.820 -0.040 0.000 2.555 524 A HA -0.107 4.192 4.320 -0.036 0.000 0.233 524 A C 0.312 177.889 177.584 -0.011 0.000 1.060 524 A CA -0.073 51.951 52.037 -0.022 0.000 0.759 524 A CB -0.074 18.908 19.000 -0.030 0.000 0.995 524 A HN 0.274 nan 8.150 nan 0.000 0.506 525 D N 2.272 122.673 120.400 0.002 0.000 2.525 525 D HA -0.007 4.611 4.640 -0.036 0.000 0.235 525 D C -1.153 175.145 176.300 -0.003 0.000 1.137 525 D CA -0.715 53.287 54.000 0.004 0.000 0.868 525 D CB 0.821 41.628 40.800 0.011 0.000 1.180 525 D HN 0.277 nan 8.370 nan 0.000 0.465 526 P HA -0.070 nan 4.420 nan 0.000 0.225 526 P C 1.000 178.295 177.300 -0.009 0.000 1.148 526 P CA 0.734 63.829 63.100 -0.009 0.000 0.779 526 P CB 0.107 31.803 31.700 -0.007 0.000 0.780 527 G N -0.137 108.660 108.800 -0.005 0.000 3.042 527 G HA2 0.036 3.975 3.960 -0.036 0.000 0.212 527 G HA3 0.036 3.975 3.960 -0.036 0.000 0.212 527 G C 0.575 175.472 174.900 -0.004 0.000 1.166 527 G CA 0.065 45.161 45.100 -0.007 0.000 0.767 527 G HN 0.422 nan 8.290 nan 0.000 0.546 528 S N -0.633 115.069 115.700 0.003 0.000 2.614 528 S HA 0.326 4.775 4.470 -0.036 0.000 0.265 528 S C 1.565 176.160 174.600 -0.009 0.000 1.303 528 S CA 0.402 58.613 58.200 0.019 0.000 1.000 528 S CB 1.708 64.929 63.200 0.036 0.000 0.935 528 S HN 0.063 nan 8.310 nan 0.000 0.551 529 S N 0.602 116.294 115.700 -0.013 0.000 2.359 529 S HA -0.158 4.290 4.470 -0.036 0.000 0.224 529 S C 1.668 176.225 174.600 -0.072 0.000 1.035 529 S CA 1.356 59.485 58.200 -0.118 0.000 1.018 529 S CB -0.794 62.198 63.200 -0.346 0.000 0.876 529 S HN 0.705 nan 8.310 nan 0.000 0.448 530 I N 1.948 122.521 120.570 0.005 0.000 2.315 530 I HA 0.027 4.176 4.170 -0.036 0.000 0.248 530 I C 2.334 178.447 176.117 -0.008 0.000 1.117 530 I CA 1.286 62.604 61.300 0.030 0.000 1.404 530 I CB -0.938 37.081 38.000 0.032 0.000 1.071 530 I HN 0.324 nan 8.210 nan 0.000 0.419 531 A N 0.252 123.056 122.820 -0.027 0.000 2.019 531 A HA -0.189 4.109 4.320 -0.036 0.000 0.219 531 A C 2.451 180.011 177.584 -0.040 0.000 1.164 531 A CA 1.552 53.563 52.037 -0.044 0.000 0.644 531 A CB -0.557 18.423 19.000 -0.032 0.000 0.805 531 A HN 0.458 nan 8.150 nan 0.000 0.449 532 R N -1.015 119.459 120.500 -0.043 0.000 2.080 532 R HA 0.044 4.363 4.340 -0.036 0.000 0.222 532 R C 2.363 178.627 176.300 -0.060 0.000 1.107 532 R CA 1.087 57.152 56.100 -0.059 0.000 0.980 532 R CB -0.206 30.043 30.300 -0.086 0.000 0.879 532 R HN 0.455 nan 8.270 nan 0.000 0.439 533 R N 0.228 120.708 120.500 -0.033 0.000 2.115 533 R HA 0.059 4.377 4.340 -0.036 0.000 0.226 533 R C 1.002 177.398 176.300 0.161 0.000 1.100 533 R CA 1.112 57.211 56.100 -0.001 0.000 0.980 533 R CB 0.179 30.487 30.300 0.014 0.000 0.875 533 R HN 0.051 nan 8.270 nan 0.000 0.445 534 A N 0.334 123.260 122.820 0.177 0.000 3.106 534 A HA 0.484 4.783 4.320 -0.036 0.000 0.306 534 A C 1.250 178.702 177.584 -0.220 0.000 1.192 534 A CA -0.015 52.074 52.037 0.087 0.000 0.994 534 A CB 0.172 19.128 19.000 -0.075 0.000 1.107 534 A HN 0.261 nan 8.150 nan 0.000 0.585 535 A N 0.438 123.223 122.820 -0.059 0.000 1.948 535 A HA -0.103 4.195 4.320 -0.036 0.000 0.220 535 A C 1.814 179.398 177.584 0.000 0.000 1.177 535 A CA 1.880 53.896 52.037 -0.034 0.000 0.636 535 A CB -0.982 18.017 19.000 -0.002 0.000 0.815 535 A HN 1.360 nan 8.150 nan 0.000 0.449 536 F N -0.174 119.686 119.950 -0.150 0.000 2.202 536 F HA -0.017 4.489 4.527 -0.036 0.000 0.301 536 F C 2.053 177.959 175.800 0.176 0.000 1.082 536 F CA 0.893 58.748 58.000 -0.242 0.000 1.313 536 F CB -0.931 37.794 39.000 -0.457 0.000 1.024 536 F HN 0.155 nan 8.300 nan 0.000 0.495 537 A N 0.478 122.666 122.820 -1.054 0.000 2.209 537 A HA -0.017 4.281 4.320 -0.036 0.000 0.212 537 A C 2.104 179.559 177.584 -0.215 0.000 1.158 537 A CA 1.316 52.917 52.037 -0.728 0.000 0.742 537 A CB -1.473 16.939 19.000 -0.980 0.000 0.790 537 A HN 0.583 nan 8.150 nan 0.000 0.472 538 T N -3.378 111.135 114.554 -0.067 0.000 3.100 538 T HA 0.190 4.518 4.350 -0.036 0.000 0.253 538 T C 0.612 175.330 174.700 0.031 0.000 1.118 538 T CA 0.235 62.332 62.100 -0.005 0.000 1.058 538 T CB 0.078 68.954 68.868 0.013 0.000 0.953 538 T HN 0.144 nan 8.240 nan 0.000 0.515 539 K N 0.901 121.365 120.400 0.107 0.000 2.469 539 K HA 0.365 4.664 4.320 -0.036 0.000 0.254 539 K C -0.601 176.048 176.600 0.082 0.000 0.939 539 K CA -0.466 55.806 56.287 -0.024 0.000 0.812 539 K CB 2.234 34.498 32.500 -0.394 0.000 1.301 539 K HN -0.067 nan 8.250 nan 0.000 0.433 540 D N 0.353 120.769 120.400 0.027 0.000 2.194 540 D HA -0.017 4.602 4.640 -0.036 0.000 0.204 540 D C -0.056 176.289 176.300 0.076 0.000 0.964 540 D CA 0.825 54.890 54.000 0.109 0.000 0.846 540 D CB 0.298 41.204 40.800 0.176 0.000 0.962 540 D HN 0.105 nan 8.370 nan 0.000 0.490 541 L N -0.236 120.887 121.223 -0.167 0.000 2.493 541 L HA 0.441 4.760 4.340 -0.036 0.000 0.265 541 L C -2.003 174.747 176.870 -0.201 0.000 0.954 541 L CA -0.612 54.092 54.840 -0.228 0.000 0.844 541 L CB 1.440 42.944 42.059 -0.925 0.000 1.302 541 L HN -0.128 nan 8.230 nan 0.000 0.405 542 W N 4.234 125.537 121.300 0.004 0.000 2.819 542 W HA 0.774 5.413 4.660 -0.036 0.000 0.337 542 W C -1.124 175.507 176.519 0.187 0.000 1.077 542 W CA -0.892 56.491 57.345 0.064 0.000 1.226 542 W CB 1.929 31.404 29.460 0.025 0.000 1.419 542 W HN 0.167 nan 8.180 nan 0.000 0.502 543 V N 2.482 122.616 119.914 0.367 0.000 2.487 543 V HA 0.687 4.785 4.120 -0.036 0.000 0.298 543 V C -0.022 176.277 176.094 0.342 0.000 1.028 543 V CA -0.854 61.648 62.300 0.337 0.000 0.860 543 V CB 1.282 33.218 31.823 0.189 0.000 0.991 543 V HN 0.593 nan 8.190 nan 0.000 0.427 544 T N 1.543 116.350 114.554 0.421 0.000 2.932 544 T HA 0.734 5.063 4.350 -0.036 0.000 0.289 544 T C -0.347 174.499 174.700 0.245 0.000 1.039 544 T CA -0.940 61.358 62.100 0.331 0.000 1.024 544 T CB 2.003 71.119 68.868 0.414 0.000 1.090 544 T HN 0.500 nan 8.240 nan 0.000 0.496 545 R N 0.949 121.551 120.500 0.170 0.000 2.442 545 R HA 0.267 4.585 4.340 -0.036 0.000 0.291 545 R C -0.829 175.541 176.300 0.117 0.000 1.069 545 R CA -0.796 55.385 56.100 0.134 0.000 1.022 545 R CB -0.613 29.740 30.300 0.088 0.000 0.976 545 R HN 0.767 nan 8.270 nan 0.000 0.443 546 Y N 3.205 123.519 120.300 0.023 0.000 2.620 546 Y HA 0.301 4.829 4.550 -0.036 0.000 0.330 546 Y C -0.726 175.139 175.900 -0.058 0.000 1.186 546 Y CA 0.713 58.799 58.100 -0.023 0.000 1.467 546 Y CB 0.373 38.797 38.460 -0.061 0.000 1.262 546 Y HN 0.719 nan 8.280 nan 0.000 0.550 547 A N 4.629 126.845 122.820 -1.008 0.000 2.486 547 A HA 0.340 4.639 4.320 -0.036 0.000 0.300 547 A C 0.151 177.060 177.584 -1.124 0.000 1.048 547 A CA -0.317 51.175 52.037 -0.907 0.000 0.696 547 A CB 0.749 19.471 19.000 -0.462 0.000 1.278 547 A HN 0.816 nan 8.150 nan 0.000 0.405 548 D N 0.899 120.857 120.400 -0.738 0.000 2.218 548 D HA -0.163 4.456 4.640 -0.036 0.000 0.204 548 D C 0.631 176.754 176.300 -0.295 0.000 0.976 548 D CA 1.645 55.412 54.000 -0.390 0.000 0.853 548 D CB 0.006 40.740 40.800 -0.109 0.000 0.939 548 D HN 0.541 nan 8.370 nan 0.000 0.481 549 D N -0.032 120.186 120.400 -0.303 0.000 2.349 549 D HA -0.051 4.567 4.640 -0.036 0.000 0.214 549 D C -0.189 175.921 176.300 -0.317 0.000 1.063 549 D CA -0.139 53.719 54.000 -0.237 0.000 0.847 549 D CB -0.638 40.070 40.800 -0.154 0.000 0.933 549 D HN 0.278 nan 8.370 nan 0.000 0.513 550 E N 0.771 120.696 120.200 -0.459 0.000 2.136 550 E HA 0.298 4.627 4.350 -0.036 0.000 0.246 550 E C 0.630 177.090 176.600 -0.233 0.000 1.017 550 E CA -0.267 55.761 56.400 -0.621 0.000 0.883 550 E CB 0.944 30.033 29.700 -1.019 0.000 1.199 550 E HN 0.154 nan 8.360 nan 0.000 0.447 551 R N 0.946 121.283 120.500 -0.272 0.000 2.146 551 R HA 0.101 4.420 4.340 -0.036 0.000 0.206 551 R C -0.054 175.969 176.300 -0.462 0.000 1.049 551 R CA 0.695 56.473 56.100 -0.536 0.000 1.029 551 R CB 0.446 30.077 30.300 -1.115 0.000 0.949 551 R HN 0.274 nan 8.270 nan 0.000 0.471 552 Y N -0.062 120.379 120.300 0.236 0.000 2.462 552 Y HA 0.301 4.830 4.550 -0.035 0.000 0.346 552 Y C -1.829 174.086 175.900 0.026 0.000 0.976 552 Y CA -3.201 54.994 58.100 0.159 0.000 1.044 552 Y CB 1.229 39.675 38.460 -0.023 0.000 1.230 552 Y HN -0.161 nan 8.280 nan 0.000 0.455 553 P HA -0.071 nan 4.420 nan 0.000 0.230 553 P C 0.664 177.722 177.300 -0.403 0.000 1.158 553 P CA 1.329 64.113 63.100 -0.528 0.000 0.769 553 P CB 0.122 31.398 31.700 -0.707 0.000 0.807 554 T N -4.738 109.696 114.554 -0.199 0.000 3.092 554 T HA 0.499 4.828 4.350 -0.036 0.000 0.258 554 T C 0.939 175.592 174.700 -0.079 0.000 1.031 554 T CA 0.100 62.127 62.100 -0.123 0.000 0.925 554 T CB -0.158 68.646 68.868 -0.107 0.000 1.036 554 T HN 0.320 nan 8.240 nan 0.000 0.544 555 G N 1.671 110.467 108.800 -0.008 0.000 2.782 555 G HA2 -0.193 3.745 3.960 -0.036 0.000 0.228 555 G HA3 -0.193 3.745 3.960 -0.036 0.000 0.228 555 G C -0.130 174.794 174.900 0.040 0.000 1.372 555 G CA -0.096 45.042 45.100 0.063 0.000 0.862 555 G HN 0.206 nan 8.290 nan 0.000 0.547 556 D N -0.554 119.787 120.400 -0.098 0.000 2.194 556 D HA 0.089 4.708 4.640 -0.036 0.000 0.204 556 D C 0.847 176.636 176.300 -0.852 0.000 0.964 556 D CA 1.444 55.183 54.000 -0.434 0.000 0.846 556 D CB -0.009 40.350 40.800 -0.735 0.000 0.962 556 D HN 0.235 nan 8.370 nan 0.000 0.490 557 F N 0.083 119.887 119.950 -0.243 0.000 2.430 557 F HA 0.231 4.736 4.527 -0.036 0.000 0.362 557 F C 0.995 176.622 175.800 -0.288 0.000 1.103 557 F CA -0.668 57.139 58.000 -0.322 0.000 1.045 557 F CB 1.654 40.392 39.000 -0.436 0.000 1.276 557 F HN -0.370 nan 8.300 nan 0.000 0.444 558 V N 0.304 120.149 119.914 -0.116 0.000 2.685 558 V HA -0.060 4.038 4.120 -0.036 0.000 0.244 558 V C 1.040 177.035 176.094 -0.164 0.000 1.054 558 V CA 0.303 62.481 62.300 -0.202 0.000 1.076 558 V CB -0.408 31.175 31.823 -0.400 0.000 0.725 558 V HN 0.668 nan 8.190 nan 0.000 0.467 559 N N 1.750 120.390 118.700 -0.100 0.000 2.374 559 N HA -0.073 4.646 4.740 -0.036 0.000 0.269 559 N C 0.469 175.960 175.510 -0.032 0.000 1.310 559 N CA 0.781 53.792 53.050 -0.064 0.000 0.877 559 N CB -0.283 38.172 38.487 -0.054 0.000 1.096 559 N HN 0.454 nan 8.380 nan 0.000 0.484 560 Q N 0.315 120.099 119.800 -0.028 0.000 2.475 560 Q HA -0.302 4.017 4.340 -0.036 0.000 0.280 560 Q C -0.872 175.133 176.000 0.008 0.000 1.234 560 Q CA 0.861 56.651 55.803 -0.022 0.000 0.873 560 Q CB -1.714 27.010 28.738 -0.024 0.000 1.256 560 Q HN 0.709 nan 8.270 nan 0.000 0.475 561 H N -0.068 118.921 119.070 -0.135 0.000 2.505 561 H HA 0.410 4.945 4.556 -0.036 0.000 0.338 561 H C 0.327 175.566 175.328 -0.149 0.000 1.057 561 H CA 0.092 56.061 56.048 -0.131 0.000 1.202 561 H CB 1.104 30.795 29.762 -0.118 0.000 1.466 561 H HN 0.305 nan 8.280 nan 0.000 0.499 562 S N 3.122 118.512 115.700 -0.517 0.000 2.626 562 S HA 0.252 4.700 4.470 -0.036 0.000 0.257 562 S C 0.970 175.212 174.600 -0.596 0.000 1.288 562 S CA -0.258 57.667 58.200 -0.458 0.000 0.980 562 S CB 0.703 63.711 63.200 -0.320 0.000 0.975 562 S HN 0.730 nan 8.310 nan 0.000 0.577 563 G N -1.390 107.200 108.800 -0.351 0.000 2.732 563 G HA2 0.447 4.386 3.960 -0.036 0.000 0.244 563 G HA3 0.447 4.386 3.960 -0.036 0.000 0.244 563 G C 0.894 175.625 174.900 -0.282 0.000 1.226 563 G CA -0.229 44.707 45.100 -0.274 0.000 0.860 563 G HN 1.950 nan 8.290 nan 0.000 0.583 564 G N -1.534 107.155 108.800 -0.185 0.000 2.705 564 G HA2 0.350 4.289 3.960 -0.036 0.000 0.193 564 G HA3 0.350 4.289 3.960 -0.036 0.000 0.193 564 G C 0.388 175.252 174.900 -0.060 0.000 1.015 564 G CA 0.756 45.791 45.100 -0.109 0.000 0.743 564 G HN 1.803 nan 8.290 nan 0.000 0.476 565 A N -0.409 122.379 122.820 -0.054 0.000 2.468 565 A HA 1.076 5.374 4.320 -0.036 0.000 0.270 565 A C 1.395 178.802 177.584 -0.295 0.000 1.217 565 A CA 0.963 52.962 52.037 -0.062 0.000 0.908 565 A CB 0.623 19.696 19.000 0.121 0.000 1.423 565 A HN 2.278 nan 8.150 nan 0.000 0.459 566 G N -1.693 106.802 108.800 -0.509 0.000 2.598 566 G HA2 -0.148 3.791 3.960 -0.036 0.000 0.244 566 G HA3 -0.148 3.791 3.960 -0.036 0.000 0.244 566 G C 0.729 174.718 174.900 -1.518 0.000 1.302 566 G CA 0.175 44.731 45.100 -0.907 0.000 0.903 566 G HN 1.210 nan 8.290 nan 0.000 0.575 567 L N 1.387 121.887 121.223 -1.206 0.000 2.042 567 L HA -0.066 4.252 4.340 -0.036 0.000 0.210 567 L C 0.292 176.777 176.870 -0.641 0.000 1.076 567 L CA 2.480 56.644 54.840 -1.127 0.000 0.749 567 L CB -1.075 40.105 42.059 -1.465 0.000 0.893 567 L HN 0.462 nan 8.230 nan 0.000 0.432 568 P HA -0.163 nan 4.420 nan 0.000 0.218 568 P C 1.762 178.991 177.300 -0.120 0.000 1.148 568 P CA 1.781 64.812 63.100 -0.116 0.000 0.822 568 P CB -0.057 31.597 31.700 -0.077 0.000 0.784 569 S N -2.218 113.338 115.700 -0.239 0.000 2.387 569 S HA -0.164 4.284 4.470 -0.036 0.000 0.226 569 S C 1.904 176.511 174.600 0.013 0.000 1.026 569 S CA 0.758 58.888 58.200 -0.118 0.000 0.972 569 S CB -1.558 61.569 63.200 -0.121 0.000 0.814 569 S HN -0.008 nan 8.310 nan 0.000 0.477 570 Y N 2.970 123.210 120.300 -0.099 0.000 2.145 570 Y HA 0.072 4.600 4.550 -0.036 0.000 0.286 570 Y C 2.487 178.370 175.900 -0.028 0.000 1.145 570 Y CA 0.333 58.382 58.100 -0.085 0.000 1.148 570 Y CB -1.239 37.129 38.460 -0.154 0.000 0.981 570 Y HN 0.502 nan 8.280 nan 0.000 0.507 571 I N -2.180 118.477 120.570 0.145 0.000 2.830 571 I HA 0.073 4.221 4.170 -0.036 0.000 0.263 571 I C 2.238 178.414 176.117 0.098 0.000 1.230 571 I CA 1.217 62.600 61.300 0.139 0.000 1.480 571 I CB -0.644 37.469 38.000 0.188 0.000 1.095 571 I HN -0.006 nan 8.210 nan 0.000 0.455 572 A N 1.288 124.153 122.820 0.075 0.000 2.076 572 A HA -0.229 4.070 4.320 -0.036 0.000 0.220 572 A C 2.286 179.900 177.584 0.051 0.000 1.160 572 A CA 1.792 53.861 52.037 0.053 0.000 0.653 572 A CB -0.714 18.307 19.000 0.035 0.000 0.801 572 A HN 0.689 nan 8.150 nan 0.000 0.455 573 Q N -1.505 118.331 119.800 0.061 0.000 2.291 573 Q HA -0.107 4.211 4.340 -0.036 0.000 0.205 573 Q C 0.158 176.187 176.000 0.048 0.000 0.970 573 Q CA 0.584 56.416 55.803 0.049 0.000 0.876 573 Q CB -0.069 28.698 28.738 0.048 0.000 0.935 573 Q HN 0.620 nan 8.270 nan 0.000 0.455 574 D N 0.481 120.916 120.400 0.058 0.000 2.699 574 D HA -0.162 4.456 4.640 -0.036 0.000 0.239 574 D C -0.997 175.334 176.300 0.052 0.000 1.136 574 D CA 0.566 54.598 54.000 0.055 0.000 0.668 574 D CB -0.586 40.239 40.800 0.043 0.000 1.060 574 D HN 0.208 nan 8.370 nan 0.000 0.429 575 R N 0.444 120.980 120.500 0.060 0.000 2.560 575 R HA 0.325 4.643 4.340 -0.036 0.000 0.270 575 R C 0.211 176.548 176.300 0.061 0.000 1.074 575 R CA -0.684 55.449 56.100 0.055 0.000 1.140 575 R CB 0.471 30.803 30.300 0.054 0.000 1.073 575 R HN 0.146 nan 8.270 nan 0.000 0.527 576 D N 2.243 122.676 120.400 0.055 0.000 2.450 576 D HA -0.005 4.613 4.640 -0.036 0.000 0.247 576 D C 0.500 176.842 176.300 0.070 0.000 1.162 576 D CA 0.147 54.182 54.000 0.057 0.000 0.879 576 D CB 0.555 41.384 40.800 0.048 0.000 1.163 576 D HN 0.548 nan 8.370 nan 0.000 0.472 577 I N -0.194 120.422 120.570 0.077 0.000 4.050 577 I HA 0.334 4.482 4.170 -0.036 0.000 0.327 577 I C 0.137 176.304 176.117 0.084 0.000 1.473 577 I CA -0.524 60.830 61.300 0.090 0.000 1.124 577 I CB 0.523 38.588 38.000 0.107 0.000 1.129 577 I HN 0.043 nan 8.210 nan 0.000 0.428 578 D N 2.925 123.368 120.400 0.071 0.000 2.494 578 D HA 0.378 4.997 4.640 -0.036 0.000 0.217 578 D C 1.012 177.349 176.300 0.062 0.000 1.153 578 D CA 0.416 54.455 54.000 0.065 0.000 0.954 578 D CB 0.480 41.313 40.800 0.056 0.000 1.034 578 D HN 0.547 nan 8.370 nan 0.000 0.518 579 G N 3.240 112.081 108.800 0.068 0.000 2.370 579 G HA2 -0.172 3.767 3.960 -0.036 0.000 0.268 579 G HA3 -0.172 3.767 3.960 -0.036 0.000 0.268 579 G C -0.167 174.776 174.900 0.071 0.000 1.122 579 G CA -0.333 44.806 45.100 0.066 0.000 0.963 579 G HN 0.469 nan 8.290 nan 0.000 0.500 580 Q N -0.803 119.048 119.800 0.085 0.000 2.687 580 Q HA 0.381 4.699 4.340 -0.036 0.000 0.305 580 Q C -1.102 174.967 176.000 0.116 0.000 1.006 580 Q CA -0.941 54.916 55.803 0.090 0.000 0.763 580 Q CB 1.096 29.884 28.738 0.082 0.000 1.506 580 Q HN 0.241 nan 8.270 nan 0.000 0.459 581 D N 1.945 122.413 120.400 0.112 0.000 2.344 581 D HA 0.307 4.925 4.640 -0.036 0.000 0.253 581 D C -0.379 176.015 176.300 0.156 0.000 1.255 581 D CA 0.067 54.143 54.000 0.128 0.000 0.894 581 D CB -0.298 40.499 40.800 -0.006 0.000 1.067 581 D HN 0.439 nan 8.370 nan 0.000 0.492 582 I N 0.104 120.770 120.570 0.159 0.000 2.957 582 I HA 0.699 4.848 4.170 -0.036 0.000 0.310 582 I C -1.085 175.109 176.117 0.128 0.000 1.063 582 I CA -1.071 60.322 61.300 0.156 0.000 1.033 582 I CB 2.253 40.335 38.000 0.137 0.000 1.230 582 I HN -0.077 nan 8.210 nan 0.000 0.447 583 V N 3.835 123.823 119.914 0.124 0.000 2.577 583 V HA 0.416 4.514 4.120 -0.036 0.000 0.303 583 V C -0.177 175.911 176.094 -0.011 0.000 1.042 583 V CA -0.658 61.629 62.300 -0.023 0.000 0.872 583 V CB 1.795 33.555 31.823 -0.105 0.000 0.998 583 V HN 0.575 nan 8.190 nan 0.000 0.423 584 V N 3.697 123.540 119.914 -0.119 0.000 2.427 584 V HA 0.475 4.573 4.120 -0.036 0.000 0.286 584 V C -1.109 174.916 176.094 -0.115 0.000 1.034 584 V CA -0.438 61.860 62.300 -0.004 0.000 0.893 584 V CB 1.601 33.415 31.823 -0.015 0.000 0.982 584 V HN 0.919 nan 8.190 nan 0.000 0.452 585 W N 3.986 125.340 121.300 0.090 0.000 2.424 585 W HA 0.511 5.149 4.660 -0.036 0.000 0.318 585 W C -0.222 176.405 176.519 0.181 0.000 1.016 585 W CA -0.694 56.710 57.345 0.097 0.000 1.268 585 W CB 0.499 29.987 29.460 0.047 0.000 1.297 585 W HN 0.593 nan 8.180 nan 0.000 0.428 586 H N 1.674 120.839 119.070 0.158 0.000 2.504 586 H HA 0.502 5.037 4.556 -0.035 0.000 0.322 586 H C -0.302 175.209 175.328 0.304 0.000 1.055 586 H CA -0.262 55.839 56.048 0.087 0.000 1.231 586 H CB 0.972 30.584 29.762 -0.250 0.000 1.417 586 H HN 0.184 nan 8.280 nan 0.000 0.472 587 T N 7.227 121.805 114.554 0.040 0.000 2.817 587 T HA 0.412 4.741 4.350 -0.036 0.000 0.293 587 T C -0.964 173.640 174.700 -0.160 0.000 0.964 587 T CA -0.159 61.969 62.100 0.048 0.000 1.085 587 T CB -0.321 68.676 68.868 0.215 0.000 0.921 587 T HN 0.500 nan 8.240 nan 0.000 0.502 588 F N -0.116 119.739 119.950 -0.159 0.000 2.650 588 F HA 0.817 5.323 4.527 -0.035 0.000 0.310 588 F C -0.314 175.595 175.800 0.182 0.000 1.112 588 F CA -1.175 56.794 58.000 -0.052 0.000 0.986 588 F CB 1.027 39.966 39.000 -0.102 0.000 1.285 588 F HN 0.780 nan 8.300 nan 0.000 0.440 589 G N 1.686 110.607 108.800 0.201 0.000 2.608 589 G HA2 0.611 4.549 3.960 -0.036 0.000 0.291 589 G HA3 0.611 4.549 3.960 -0.036 0.000 0.291 589 G C -2.772 172.239 174.900 0.185 0.000 1.425 589 G CA -1.066 44.139 45.100 0.176 0.000 0.787 589 G HN 0.690 nan 8.290 nan 0.000 0.484 590 L N 0.585 121.911 121.223 0.172 0.000 2.317 590 L HA 0.698 5.016 4.340 -0.036 0.000 0.281 590 L C 0.321 177.198 176.870 0.012 0.000 1.024 590 L CA -0.439 54.467 54.840 0.111 0.000 0.810 590 L CB 1.957 44.089 42.059 0.122 0.000 1.240 590 L HN 0.493 nan 8.230 nan 0.000 0.427 591 T N 3.118 117.628 114.554 -0.073 0.000 2.743 591 T HA 0.287 4.615 4.350 -0.036 0.000 0.292 591 T C -0.643 173.847 174.700 -0.350 0.000 0.972 591 T CA -0.108 61.837 62.100 -0.258 0.000 0.967 591 T CB -0.008 68.719 68.868 -0.235 0.000 0.926 591 T HN 0.448 nan 8.240 nan 0.000 0.459 592 H N 2.986 121.648 119.070 -0.679 0.000 2.595 592 H HA 0.396 4.931 4.556 -0.034 0.000 0.313 592 H C -1.125 173.731 175.328 -0.787 0.000 1.023 592 H CA -1.134 54.550 56.048 -0.606 0.000 1.218 592 H CB 0.324 29.719 29.762 -0.613 0.000 1.403 592 H HN 0.451 nan 8.280 nan 0.000 0.477 593 F N 6.657 126.542 119.950 -0.108 0.000 2.303 593 F HA 0.281 4.786 4.527 -0.037 0.000 0.368 593 F C -2.055 173.750 175.800 0.009 0.000 1.105 593 F CA -2.532 55.280 58.000 -0.313 0.000 1.153 593 F CB 0.698 39.378 39.000 -0.534 0.000 1.362 593 F HN 0.495 nan 8.300 nan 0.000 0.511 594 P HA 0.076 nan 4.420 nan 0.000 0.266 594 P C -0.364 177.059 177.300 0.205 0.000 1.195 594 P CA -0.191 62.974 63.100 0.108 0.000 0.768 594 P CB 0.571 32.276 31.700 0.008 0.000 0.838 595 R N 2.018 122.650 120.500 0.219 0.000 2.758 595 R HA 0.411 4.729 4.340 -0.036 0.000 0.265 595 R C 0.699 177.088 176.300 0.149 0.000 1.016 595 R CA -0.829 55.366 56.100 0.159 0.000 1.040 595 R CB 0.433 30.818 30.300 0.143 0.000 1.152 595 R HN 0.195 nan 8.270 nan 0.000 0.503 596 V N 1.199 121.177 119.914 0.107 0.000 2.469 596 V HA -0.239 3.859 4.120 -0.036 0.000 0.251 596 V C 1.409 177.602 176.094 0.166 0.000 1.064 596 V CA 2.256 64.627 62.300 0.120 0.000 1.066 596 V CB -0.524 31.342 31.823 0.071 0.000 0.667 596 V HN 0.885 nan 8.190 nan 0.000 0.461 597 E N 0.016 120.293 120.200 0.129 0.000 2.333 597 E HA -0.156 4.172 4.350 -0.036 0.000 0.198 597 E C 1.686 178.363 176.600 0.128 0.000 1.007 597 E CA 1.171 57.637 56.400 0.110 0.000 0.845 597 E CB -0.234 29.512 29.700 0.077 0.000 0.766 597 E HN 0.660 nan 8.360 nan 0.000 0.507 598 D N -0.867 119.644 120.400 0.186 0.000 2.347 598 D HA -0.091 4.528 4.640 -0.036 0.000 0.215 598 D C -0.185 176.265 176.300 0.250 0.000 0.976 598 D CA 0.404 54.532 54.000 0.213 0.000 0.884 598 D CB 0.075 41.054 40.800 0.300 0.000 0.915 598 D HN 0.235 nan 8.370 nan 0.000 0.526 599 W N 2.125 123.454 121.300 0.048 0.000 2.573 599 W HA 0.223 4.860 4.660 -0.039 0.000 0.326 599 W C -1.995 174.553 176.519 0.049 0.000 1.049 599 W CA -1.987 55.386 57.345 0.046 0.000 1.220 599 W CB 2.117 31.602 29.460 0.043 0.000 1.373 599 W HN -0.190 nan 8.180 nan 0.000 0.507 600 P HA 0.153 nan 4.420 nan 0.000 0.251 600 P C -0.184 176.685 177.300 -0.719 0.000 1.223 600 P CA 0.603 62.807 63.100 -1.493 0.000 0.796 600 P CB 1.420 32.444 31.700 -1.126 0.000 1.068 601 I N 0.312 120.631 120.570 -0.417 0.000 2.656 601 I HA 0.351 4.499 4.170 -0.036 0.000 0.292 601 I C -0.715 175.277 176.117 -0.208 0.000 1.144 601 I CA -1.911 59.144 61.300 -0.409 0.000 1.038 601 I CB 2.571 40.079 38.000 -0.820 0.000 1.244 601 I HN -0.263 nan 8.210 nan 0.000 0.420 602 M N 8.494 128.018 119.600 -0.127 0.000 2.146 602 M HA 0.627 5.086 4.480 -0.036 0.000 0.357 602 M C -2.585 173.684 176.300 -0.052 0.000 1.261 602 M CA -1.234 54.053 55.300 -0.023 0.000 1.106 602 M CB 0.820 33.462 32.600 0.071 0.000 1.612 602 M HN 0.195 nan 8.290 nan 0.000 0.470 603 P HA 0.069 nan 4.420 nan 0.000 0.269 603 P C -0.612 176.670 177.300 -0.031 0.000 1.209 603 P CA -0.423 62.656 63.100 -0.034 0.000 0.776 603 P CB 0.542 32.231 31.700 -0.019 0.000 0.876 604 V N 3.309 123.206 119.914 -0.029 0.000 2.694 604 V HA -0.025 4.073 4.120 -0.036 0.000 0.306 604 V C 0.651 176.716 176.094 -0.048 0.000 1.054 604 V CA 1.098 63.383 62.300 -0.026 0.000 1.161 604 V CB 0.119 31.940 31.823 -0.002 0.000 0.916 604 V HN 0.598 nan 8.190 nan 0.000 0.490 605 D N 1.991 122.348 120.400 -0.072 0.000 2.419 605 D HA 0.710 5.329 4.640 -0.036 0.000 0.234 605 D C -0.320 175.931 176.300 -0.081 0.000 1.014 605 D CA -0.183 53.768 54.000 -0.083 0.000 0.919 605 D CB 2.345 43.069 40.800 -0.127 0.000 1.366 605 D HN 0.722 nan 8.370 nan 0.000 0.490 606 T N -1.650 112.870 114.554 -0.058 0.000 2.906 606 T HA 0.752 5.080 4.350 -0.036 0.000 0.295 606 T C -0.903 173.808 174.700 0.018 0.000 1.075 606 T CA -0.790 61.273 62.100 -0.061 0.000 1.005 606 T CB 1.528 70.353 68.868 -0.073 0.000 1.136 606 T HN 0.217 nan 8.240 nan 0.000 0.498 607 V N -0.086 119.834 119.914 0.010 0.000 3.178 607 V HA 0.928 5.026 4.120 -0.036 0.000 0.302 607 V C -0.184 175.904 176.094 -0.011 0.000 1.262 607 V CA 0.483 62.868 62.300 0.141 0.000 1.030 607 V CB 1.806 33.780 31.823 0.252 0.000 1.074 607 V HN 1.649 nan 8.190 nan 0.000 0.438 608 G N 2.399 111.041 108.800 -0.262 0.000 2.435 608 G HA2 0.701 4.640 3.960 -0.036 0.000 0.296 608 G HA3 0.701 4.640 3.960 -0.036 0.000 0.296 608 G C -1.513 172.821 174.900 -0.943 0.000 1.240 608 G CA 0.172 44.916 45.100 -0.592 0.000 0.872 608 G HN 1.846 nan 8.290 nan 0.000 0.480 609 F N -1.004 118.563 119.950 -0.639 0.000 2.773 609 F HA 0.862 5.368 4.527 -0.036 0.000 0.314 609 F C -0.992 174.782 175.800 -0.044 0.000 1.160 609 F CA -1.061 56.746 58.000 -0.321 0.000 0.920 609 F CB 1.568 40.407 39.000 -0.268 0.000 1.323 609 F HN 0.810 nan 8.300 nan 0.000 0.457 610 K N 0.990 121.551 120.400 0.268 0.000 2.533 610 K HA 0.850 5.149 4.320 -0.036 0.000 0.272 610 K C -2.409 174.433 176.600 0.403 0.000 0.985 610 K CA -1.039 55.389 56.287 0.236 0.000 0.876 610 K CB 2.663 35.257 32.500 0.156 0.000 1.452 610 K HN 0.737 nan 8.250 nan 0.000 0.439 611 L N 1.335 122.793 121.223 0.391 0.000 2.362 611 L HA 0.571 4.890 4.340 -0.036 0.000 0.275 611 L C -0.535 176.611 176.870 0.459 0.000 0.998 611 L CA -0.578 54.529 54.840 0.445 0.000 0.820 611 L CB 2.040 44.375 42.059 0.459 0.000 1.270 611 L HN 0.573 nan 8.230 nan 0.000 0.415 612 R N 2.950 123.650 120.500 0.333 0.000 2.637 612 R HA 0.554 4.873 4.340 -0.036 0.000 0.291 612 R C -2.544 173.528 176.300 -0.380 0.000 0.963 612 R CA -1.921 54.234 56.100 0.091 0.000 0.901 612 R CB 1.691 32.061 30.300 0.117 0.000 1.160 612 R HN 0.295 nan 8.270 nan 0.000 0.457 613 P HA -0.042 nan 4.420 nan 0.000 0.266 613 P C -0.740 176.354 177.300 -0.343 0.000 1.195 613 P CA 0.189 62.668 63.100 -1.035 0.000 0.768 613 P CB 0.731 32.136 31.700 -0.492 0.000 0.838 614 E N 1.961 122.025 120.200 -0.226 0.000 2.731 614 E HA 0.432 4.761 4.350 -0.036 0.000 0.248 614 E C 0.703 177.302 176.600 -0.002 0.000 1.084 614 E CA -0.388 55.979 56.400 -0.055 0.000 0.776 614 E CB -0.548 29.141 29.700 -0.019 0.000 1.404 614 E HN 0.652 nan 8.360 nan 0.000 0.395 615 G N 3.453 112.261 108.800 0.013 0.000 2.179 615 G HA2 -0.379 3.560 3.960 -0.036 0.000 0.257 615 G HA3 -0.379 3.560 3.960 -0.036 0.000 0.257 615 G C 0.615 175.516 174.900 0.001 0.000 1.010 615 G CA 0.521 45.631 45.100 0.016 0.000 0.736 615 G HN 0.549 nan 8.290 nan 0.000 0.513 616 F N 0.022 119.854 119.950 -0.198 0.000 2.146 616 F HA 0.390 4.896 4.527 -0.035 0.000 0.298 616 F C 1.348 176.882 175.800 -0.443 0.000 1.096 616 F CA 0.916 58.703 58.000 -0.355 0.000 1.275 616 F CB -0.009 38.673 39.000 -0.530 0.000 1.008 616 F HN 0.112 nan 8.300 nan 0.000 0.480 617 F N 0.369 120.335 119.950 0.026 0.000 2.408 617 F HA 0.229 4.735 4.527 -0.036 0.000 0.325 617 F C 1.356 177.117 175.800 -0.065 0.000 1.082 617 F CA -0.768 57.199 58.000 -0.055 0.000 1.032 617 F CB 0.278 39.255 39.000 -0.039 0.000 1.259 617 F HN -0.276 nan 8.300 nan 0.000 0.503 618 D N 0.041 120.528 120.400 0.145 0.000 2.349 618 D HA 0.073 4.692 4.640 -0.036 0.000 0.215 618 D C 0.320 176.651 176.300 0.052 0.000 1.016 618 D CA 0.605 54.639 54.000 0.057 0.000 0.870 618 D CB 0.264 41.082 40.800 0.031 0.000 0.917 618 D HN 0.524 nan 8.370 nan 0.000 0.524 619 R N -2.389 118.156 120.500 0.074 0.000 2.832 619 R HA 0.221 4.540 4.340 -0.036 0.000 0.283 619 R C -0.710 175.594 176.300 0.007 0.000 0.998 619 R CA -0.769 55.348 56.100 0.029 0.000 0.843 619 R CB 0.299 30.602 30.300 0.005 0.000 1.332 619 R HN -0.168 nan 8.270 nan 0.000 0.490 620 S N 0.972 116.655 115.700 -0.029 0.000 2.593 620 S HA 0.080 4.528 4.470 -0.036 0.000 0.300 620 S C -1.273 173.230 174.600 -0.163 0.000 1.267 620 S CA -0.730 57.425 58.200 -0.076 0.000 1.065 620 S CB 0.439 63.612 63.200 -0.044 0.000 0.807 620 S HN 0.509 nan 8.310 nan 0.000 0.499 621 P HA 0.106 nan 4.420 nan 0.000 0.249 621 P C 0.479 177.665 177.300 -0.189 0.000 1.229 621 P CA 0.250 63.061 63.100 -0.482 0.000 0.788 621 P CB -0.218 30.735 31.700 -1.245 0.000 1.072 622 V N -4.250 115.608 119.914 -0.094 0.000 2.988 622 V HA 0.247 4.346 4.120 -0.036 0.000 0.356 622 V C 1.500 177.615 176.094 0.036 0.000 1.380 622 V CA -0.131 62.164 62.300 -0.008 0.000 1.184 622 V CB -0.764 31.079 31.823 0.032 0.000 1.204 622 V HN -0.134 nan 8.190 nan 0.000 0.530 623 L N 1.234 122.469 121.223 0.020 0.000 2.291 623 L HA 0.016 4.334 4.340 -0.036 0.000 0.214 623 L C 2.065 178.973 176.870 0.064 0.000 1.120 623 L CA 1.614 56.486 54.840 0.054 0.000 0.799 623 L CB -0.265 41.803 42.059 0.016 0.000 0.925 623 L HN 0.589 nan 8.230 nan 0.000 0.446 624 D N -0.819 119.599 120.400 0.030 0.000 2.340 624 D HA 0.007 4.626 4.640 -0.036 0.000 0.217 624 D C 0.583 176.890 176.300 0.012 0.000 1.081 624 D CA -0.040 53.972 54.000 0.020 0.000 0.842 624 D CB -0.223 40.577 40.800 0.000 0.000 0.934 624 D HN -0.021 nan 8.370 nan 0.000 0.511 625 V N 3.054 122.981 119.914 0.022 0.000 2.572 625 V HA 0.183 4.281 4.120 -0.036 0.000 0.291 625 V C -1.655 174.441 176.094 0.004 0.000 1.039 625 V CA -0.986 61.317 62.300 0.006 0.000 1.055 625 V CB 0.829 32.661 31.823 0.017 0.000 0.969 625 V HN 0.182 nan 8.190 nan 0.000 0.482 626 P HA 0.353 nan 4.420 nan 0.000 0.276 626 P C -0.541 176.732 177.300 -0.045 0.000 1.244 626 P CA -0.432 62.658 63.100 -0.017 0.000 0.801 626 P CB 0.988 32.680 31.700 -0.013 0.000 1.006 627 A N 2.181 124.967 122.820 -0.057 0.000 2.445 627 A HA 0.202 4.500 4.320 -0.036 0.000 0.242 627 A C 0.400 177.953 177.584 -0.053 0.000 1.075 627 A CA 0.069 52.054 52.037 -0.087 0.000 0.777 627 A CB -1.346 17.606 19.000 -0.080 0.000 1.013 627 A HN 0.781 nan 8.150 nan 0.000 0.493 628 N N 0.000 118.666 118.700 -0.056 0.000 1.763 628 N HA 0.000 4.719 4.740 -0.036 0.000 0.220 628 N CA 0.000 53.031 53.050 -0.032 0.000 0.885 628 N CB 0.000 38.470 38.487 -0.029 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667