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 2cwt_1_B 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 PIRSWQNYFA 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 0.000 177.572 177.584 -0.019 0.000 1.274 9 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 9 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 10 S N 2.620 118.318 115.700 -0.004 0.000 2.537 10 S HA 0.364 4.823 4.470 -0.018 0.000 0.286 10 S C -1.150 173.412 174.600 -0.063 0.000 1.299 10 S CA -0.391 57.813 58.200 0.008 0.000 1.067 10 S CB 0.863 64.106 63.200 0.072 0.000 0.864 10 S HN 0.351 nan 8.310 nan 0.000 0.494 11 P HA 0.053 nan 4.420 nan 0.000 0.242 11 P C 0.048 176.951 177.300 -0.662 0.000 1.197 11 P CA 0.628 63.474 63.100 -0.422 0.000 0.765 11 P CB -0.118 31.260 31.700 -0.537 0.000 0.936 12 F N 0.403 120.290 119.950 -0.106 0.000 2.668 12 F HA 0.245 4.761 4.527 -0.018 0.000 0.301 12 F C 1.444 177.167 175.800 -0.129 0.000 1.106 12 F CA -0.859 57.030 58.000 -0.185 0.000 1.289 12 F CB -0.072 38.816 39.000 -0.185 0.000 1.006 12 F HN -0.174 nan 8.300 nan 0.000 0.535 13 R N 0.579 121.094 120.500 0.025 0.000 2.694 13 R HA 0.328 4.657 4.340 -0.018 0.000 0.268 13 R C -0.085 176.227 176.300 0.021 0.000 1.061 13 R CA -0.503 55.620 56.100 0.038 0.000 1.133 13 R CB 0.544 30.860 30.300 0.026 0.000 1.020 13 R HN 0.145 nan 8.270 nan 0.000 0.475 14 L N 1.375 122.625 121.223 0.045 0.000 2.482 14 L HA 0.137 4.466 4.340 -0.018 0.000 0.273 14 L C 0.796 177.705 176.870 0.065 0.000 1.228 14 L CA -0.194 54.678 54.840 0.054 0.000 0.827 14 L CB 0.379 42.472 42.059 0.058 0.000 1.099 14 L HN 0.852 nan 8.230 nan 0.000 0.494 15 A N 1.799 124.676 122.820 0.095 0.000 2.462 15 A HA 0.391 4.700 4.320 -0.018 0.000 0.243 15 A C 0.270 177.928 177.584 0.123 0.000 1.076 15 A CA -0.209 51.938 52.037 0.182 0.000 0.773 15 A CB 0.208 19.376 19.000 0.279 0.000 1.010 15 A HN 0.744 nan 8.150 nan 0.000 0.493 16 S N 1.129 116.895 115.700 0.110 0.000 2.690 16 S HA 0.619 5.078 4.470 -0.018 0.000 0.291 16 S C 1.129 175.739 174.600 0.016 0.000 1.138 16 S CA -0.181 58.048 58.200 0.048 0.000 1.013 16 S CB 1.516 64.735 63.200 0.033 0.000 1.053 16 S HN 1.558 nan 8.310 nan 0.000 0.539 17 A N 1.473 124.293 122.820 -0.000 0.000 1.933 17 A HA 0.143 4.452 4.320 -0.018 0.000 0.218 17 A C 2.125 179.685 177.584 -0.040 0.000 1.175 17 A CA 1.735 53.761 52.037 -0.018 0.000 0.628 17 A CB -1.792 17.200 19.000 -0.013 0.000 0.814 17 A HN 1.161 nan 8.150 nan 0.000 0.444 18 G N -0.401 108.378 108.800 -0.034 0.000 2.446 18 G HA2 -0.235 3.714 3.960 -0.018 0.000 0.217 18 G HA3 -0.235 3.714 3.960 -0.018 0.000 0.217 18 G C 1.421 176.264 174.900 -0.095 0.000 1.168 18 G CA 1.011 46.081 45.100 -0.050 0.000 0.771 18 G HN 0.659 nan 8.290 nan 0.000 0.551 19 E N -0.080 120.055 120.200 -0.108 0.000 2.110 19 E HA -0.101 4.238 4.350 -0.018 0.000 0.193 19 E C 2.542 178.883 176.600 -0.432 0.000 0.988 19 E CA 0.587 56.838 56.400 -0.250 0.000 0.804 19 E CB -0.069 29.538 29.700 -0.155 0.000 0.745 19 E HN 0.319 nan 8.360 nan 0.000 0.458 20 I N 0.958 121.353 120.570 -0.291 0.000 2.179 20 I HA -0.213 3.946 4.170 -0.018 0.000 0.242 20 I C 2.319 178.318 176.117 -0.197 0.000 1.088 20 I CA 1.219 62.361 61.300 -0.264 0.000 1.357 20 I CB -1.260 36.668 38.000 -0.120 0.000 1.051 20 I HN -0.025 nan 8.210 nan 0.000 0.409 21 S N 0.305 115.925 115.700 -0.133 0.000 2.382 21 S HA -0.211 4.248 4.470 -0.018 0.000 0.228 21 S C 1.917 176.452 174.600 -0.108 0.000 1.027 21 S CA 1.381 59.526 58.200 -0.092 0.000 0.991 21 S CB -0.141 63.022 63.200 -0.062 0.000 0.823 21 S HN 0.404 nan 8.310 nan 0.000 0.469 22 E N 1.224 121.337 120.200 -0.146 0.000 2.072 22 E HA -0.082 4.257 4.350 -0.018 0.000 0.191 22 E C 1.901 178.408 176.600 -0.155 0.000 0.985 22 E CA 0.967 57.284 56.400 -0.138 0.000 0.801 22 E CB -0.361 29.249 29.700 -0.150 0.000 0.750 22 E HN 0.244 nan 8.360 nan 0.000 0.452 23 V N 0.944 120.711 119.914 -0.245 0.000 2.287 23 V HA -0.299 3.810 4.120 -0.018 0.000 0.248 23 V C 2.592 178.619 176.094 -0.111 0.000 1.053 23 V CA 2.287 64.459 62.300 -0.213 0.000 1.027 23 V CB -0.674 30.958 31.823 -0.319 0.000 0.646 23 V HN 0.422 nan 8.190 nan 0.000 0.447 24 Q N 0.094 119.835 119.800 -0.099 0.000 2.061 24 Q HA -0.197 4.133 4.340 -0.018 0.000 0.204 24 Q C 2.253 178.233 176.000 -0.033 0.000 0.984 24 Q CA 2.223 57.999 55.803 -0.046 0.000 0.846 24 Q CB -0.520 28.200 28.738 -0.031 0.000 0.902 24 Q HN 0.651 nan 8.270 nan 0.000 0.421 25 G N 0.945 109.718 108.800 -0.044 0.000 2.418 25 G HA2 -0.229 3.720 3.960 -0.018 0.000 0.217 25 G HA3 -0.229 3.720 3.960 -0.018 0.000 0.217 25 G C 1.416 176.300 174.900 -0.027 0.000 1.158 25 G CA 0.903 45.984 45.100 -0.032 0.000 0.771 25 G HN 0.378 nan 8.290 nan 0.000 0.545 26 I N 0.397 120.946 120.570 -0.036 0.000 2.226 26 I HA -0.139 4.020 4.170 -0.018 0.000 0.245 26 I C 2.707 178.818 176.117 -0.010 0.000 1.100 26 I CA 0.717 62.003 61.300 -0.023 0.000 1.374 26 I CB -0.198 37.785 38.000 -0.029 0.000 1.057 26 I HN 0.134 nan 8.210 nan 0.000 0.413 27 L N 0.000 121.218 121.223 -0.009 0.000 2.056 27 L HA -0.184 4.145 4.340 -0.018 0.000 0.207 27 L C 2.771 179.646 176.870 0.008 0.000 1.078 27 L CA 1.352 56.196 54.840 0.007 0.000 0.749 27 L CB -0.614 41.453 42.059 0.012 0.000 0.901 27 L HN 0.154 nan 8.230 nan 0.000 0.433 28 R N -0.512 119.990 120.500 0.004 0.000 2.073 28 R HA -0.136 4.193 4.340 -0.018 0.000 0.234 28 R C 2.326 178.627 176.300 0.002 0.000 1.134 28 R CA 1.974 58.078 56.100 0.006 0.000 0.952 28 R CB -0.630 29.671 30.300 0.003 0.000 0.850 28 R HN 0.304 nan 8.270 nan 0.000 0.433 29 T N 0.665 115.218 114.554 -0.002 0.000 2.759 29 T HA -0.135 4.204 4.350 -0.018 0.000 0.269 29 T C 1.726 176.427 174.700 0.001 0.000 1.042 29 T CA 1.424 63.523 62.100 -0.002 0.000 1.140 29 T CB -0.153 68.712 68.868 -0.005 0.000 0.864 29 T HN 0.373 nan 8.240 nan 0.000 0.455 30 A N 0.291 123.113 122.820 0.004 0.000 2.206 30 A HA 0.461 4.770 4.320 -0.018 0.000 0.211 30 A C 1.935 179.523 177.584 0.008 0.000 1.158 30 A CA 0.958 52.999 52.037 0.007 0.000 0.761 30 A CB -0.816 18.191 19.000 0.011 0.000 0.801 30 A HN 0.769 nan 8.150 nan 0.000 0.473 31 G N -1.402 107.402 108.800 0.007 0.000 2.136 31 G HA2 -0.232 3.717 3.960 -0.018 0.000 0.242 31 G HA3 -0.232 3.717 3.960 -0.018 0.000 0.242 31 G C 0.513 175.419 174.900 0.010 0.000 0.989 31 G CA 0.462 45.566 45.100 0.007 0.000 0.682 31 G HN 0.531 nan 8.290 nan 0.000 0.522 32 L N -1.243 119.989 121.223 0.015 0.000 2.640 32 L HA 0.498 4.827 4.340 -0.018 0.000 0.230 32 L C 0.994 177.880 176.870 0.026 0.000 1.123 32 L CA 0.083 54.935 54.840 0.020 0.000 0.900 32 L CB 0.598 42.673 42.059 0.028 0.000 1.146 32 L HN 0.183 nan 8.230 nan 0.000 0.484 33 L N 0.531 121.769 121.223 0.025 0.000 2.625 33 L HA 0.506 4.836 4.340 -0.018 0.000 0.255 33 L C 0.550 177.442 176.870 0.037 0.000 1.493 33 L CA -0.150 54.712 54.840 0.036 0.000 0.796 33 L CB 0.537 42.620 42.059 0.039 0.000 1.064 33 L HN -0.048 nan 8.230 nan 0.000 0.516 34 G N 0.556 109.373 108.800 0.028 0.000 2.553 34 G HA2 0.329 4.278 3.960 -0.018 0.000 0.278 34 G HA3 0.329 4.278 3.960 -0.018 0.000 0.278 34 G C -1.709 173.216 174.900 0.041 0.000 1.349 34 G CA -0.771 44.344 45.100 0.025 0.000 1.037 34 G HN 0.347 nan 8.290 nan 0.000 0.508 35 P HA -0.081 nan 4.420 nan 0.000 0.217 35 P C 1.044 178.383 177.300 0.066 0.000 1.148 35 P CA 1.351 64.478 63.100 0.045 0.000 0.828 35 P CB 0.151 31.863 31.700 0.019 0.000 0.783 36 E N -1.507 118.716 120.200 0.037 0.000 2.489 36 E HA 0.041 4.381 4.350 -0.018 0.000 0.193 36 E C 0.351 176.954 176.600 0.006 0.000 1.057 36 E CA 0.428 56.840 56.400 0.020 0.000 0.866 36 E CB -0.446 29.246 29.700 -0.013 0.000 0.916 36 E HN 0.155 nan 8.360 nan 0.000 0.500 37 K N 1.318 121.740 120.400 0.038 0.000 2.098 37 K HA 0.460 4.769 4.320 -0.018 0.000 0.258 37 K C 0.084 176.732 176.600 0.079 0.000 0.973 37 K CA -0.646 55.661 56.287 0.033 0.000 0.898 37 K CB 1.300 33.823 32.500 0.038 0.000 1.057 37 K HN -0.080 nan 8.250 nan 0.000 0.447 38 R N 1.321 121.866 120.500 0.076 0.000 2.698 38 R HA 0.440 4.769 4.340 -0.018 0.000 0.275 38 R C -0.388 175.951 176.300 0.066 0.000 1.001 38 R CA -0.917 55.212 56.100 0.048 0.000 0.896 38 R CB 1.323 31.672 30.300 0.080 0.000 1.218 38 R HN 0.468 nan 8.270 nan 0.000 0.462 39 I N 2.465 123.035 120.570 0.000 0.000 2.322 39 I HA 0.145 4.304 4.170 -0.018 0.000 0.292 39 I C 1.319 177.455 176.117 0.032 0.000 1.060 39 I CA 0.095 61.410 61.300 0.025 0.000 1.309 39 I CB 0.773 38.758 38.000 -0.026 0.000 1.415 39 I HN 0.735 nan 8.210 nan 0.000 0.492 40 A N 6.714 129.614 122.820 0.132 0.000 2.095 40 A HA 0.028 4.337 4.320 -0.018 0.000 0.212 40 A C 0.391 178.101 177.584 0.210 0.000 1.162 40 A CA 0.664 52.796 52.037 0.159 0.000 0.753 40 A CB 0.218 19.360 19.000 0.236 0.000 0.840 40 A HN 0.653 nan 8.150 nan 0.000 0.468 41 Y N -1.923 118.390 120.300 0.021 0.000 2.521 41 Y HA 0.567 5.106 4.550 -0.018 0.000 0.328 41 Y C -1.854 173.928 175.900 -0.197 0.000 1.151 41 Y CA -1.231 56.774 58.100 -0.157 0.000 1.054 41 Y CB 1.190 39.391 38.460 -0.433 0.000 1.338 41 Y HN 0.155 nan 8.280 nan 0.000 0.453 42 L N 5.285 125.775 121.223 -1.221 0.000 2.543 42 L HA 0.956 5.285 4.340 -0.018 0.000 0.265 42 L C -1.212 175.109 176.870 -0.915 0.000 0.945 42 L CA -0.203 54.148 54.840 -0.816 0.000 0.869 42 L CB 1.984 43.863 42.059 -0.300 0.000 1.294 42 L HN 0.950 nan 8.230 nan 0.000 0.405 43 G N 2.659 111.111 108.800 -0.579 0.000 2.704 43 G HA2 0.488 4.437 3.960 -0.018 0.000 0.293 43 G HA3 0.488 4.437 3.960 -0.018 0.000 0.293 43 G C -1.920 172.814 174.900 -0.278 0.000 1.421 43 G CA -0.545 44.378 45.100 -0.295 0.000 0.870 43 G HN 0.502 nan 8.290 nan 0.000 0.492 44 V N 1.175 120.779 119.914 -0.518 0.000 2.649 44 V HA 0.575 4.684 4.120 -0.018 0.000 0.292 44 V C 0.129 175.958 176.094 -0.442 0.000 1.055 44 V CA -0.592 61.112 62.300 -0.992 0.000 1.023 44 V CB 0.843 32.102 31.823 -0.940 0.000 0.992 44 V HN 0.568 nan 8.190 nan 0.000 0.480 45 L N 5.616 126.608 121.223 -0.386 0.000 2.326 45 L HA 0.420 4.749 4.340 -0.018 0.000 0.278 45 L C 0.064 176.838 176.870 -0.161 0.000 1.092 45 L CA -0.608 54.127 54.840 -0.174 0.000 0.810 45 L CB 0.991 42.987 42.059 -0.105 0.000 1.153 45 L HN 0.635 nan 8.230 nan 0.000 0.439 46 D N 3.344 123.700 120.400 -0.072 0.000 2.357 46 D HA 0.211 4.840 4.640 -0.018 0.000 0.242 46 D C -2.006 174.256 176.300 -0.063 0.000 1.153 46 D CA -0.903 53.073 54.000 -0.040 0.000 0.918 46 D CB 0.388 41.249 40.800 0.101 0.000 1.181 46 D HN 0.255 nan 8.370 nan 0.000 0.435 47 P HA 0.218 nan 4.420 nan 0.000 0.268 47 P C -0.792 176.497 177.300 -0.018 0.000 1.205 47 P CA -0.220 62.816 63.100 -0.106 0.000 0.771 47 P CB 0.565 32.147 31.700 -0.197 0.000 0.858 48 A N 3.325 126.134 122.820 -0.018 0.000 2.346 48 A HA 0.263 4.572 4.320 -0.018 0.000 0.252 48 A C 0.445 178.019 177.584 -0.016 0.000 1.089 48 A CA -0.345 51.695 52.037 0.004 0.000 0.797 48 A CB 0.162 19.164 19.000 0.004 0.000 1.047 48 A HN 0.397 nan 8.150 nan 0.000 0.494 49 R N 0.163 120.634 120.500 -0.048 0.000 2.570 49 R HA 0.387 4.717 4.340 -0.018 0.000 0.277 49 R C 0.806 177.082 176.300 -0.040 0.000 1.039 49 R CA 1.322 57.355 56.100 -0.112 0.000 1.065 49 R CB -0.494 29.671 30.300 -0.225 0.000 0.964 49 R HN 1.828 nan 8.270 nan 0.000 0.428 50 G N 0.954 109.752 108.800 -0.003 0.000 2.728 50 G HA2 -0.168 3.781 3.960 -0.018 0.000 0.686 50 G HA3 -0.168 3.781 3.960 -0.018 0.000 0.686 50 G C -0.116 174.796 174.900 0.020 0.000 1.337 50 G CA -0.321 44.791 45.100 0.021 0.000 0.861 50 G HN 0.766 nan 8.290 nan 0.000 0.597 51 A N 2.097 124.933 122.820 0.026 0.000 3.052 51 A HA 0.596 4.905 4.320 -0.018 0.000 0.266 51 A C 1.912 179.499 177.584 0.005 0.000 1.855 51 A CA 1.266 53.312 52.037 0.015 0.000 1.473 51 A CB -0.798 18.213 19.000 0.019 0.000 1.038 51 A HN 2.285 nan 8.150 nan 0.000 0.619 52 G N 0.698 109.498 108.800 -0.000 0.000 2.736 52 G HA2 -0.056 3.893 3.960 -0.018 0.000 0.214 52 G HA3 -0.056 3.893 3.960 -0.018 0.000 0.214 52 G C 0.944 175.841 174.900 -0.005 0.000 1.327 52 G CA 0.830 45.928 45.100 -0.002 0.000 0.818 52 G HN 0.585 nan 8.290 nan 0.000 0.611 53 S N 0.537 116.231 115.700 -0.010 0.000 2.560 53 S HA 0.090 4.549 4.470 -0.018 0.000 0.284 53 S C 1.296 175.889 174.600 -0.011 0.000 1.327 53 S CA 0.120 58.313 58.200 -0.011 0.000 1.055 53 S CB 1.632 64.822 63.200 -0.017 0.000 0.868 53 S HN 0.578 nan 8.310 nan 0.000 0.506 54 E N 1.792 121.987 120.200 -0.009 0.000 2.114 54 E HA -0.183 4.156 4.350 -0.018 0.000 0.199 54 E C 0.716 177.309 176.600 -0.012 0.000 1.008 54 E CA 1.302 57.698 56.400 -0.007 0.000 0.810 54 E CB 0.079 29.776 29.700 -0.006 0.000 0.739 54 E HN 0.729 nan 8.360 nan 0.000 0.456 55 A N 0.435 123.245 122.820 -0.016 0.000 2.392 55 A HA 0.423 4.733 4.320 -0.018 0.000 0.283 55 A C -1.111 176.452 177.584 -0.036 0.000 1.197 55 A CA -0.512 51.511 52.037 -0.024 0.000 0.895 55 A CB 1.025 20.013 19.000 -0.020 0.000 1.400 55 A HN 0.229 nan 8.150 nan 0.000 0.461 56 E N 0.454 120.625 120.200 -0.050 0.000 2.055 56 E HA 0.438 4.777 4.350 -0.018 0.000 0.274 56 E C -1.243 175.322 176.600 -0.058 0.000 0.949 56 E CA -0.410 55.946 56.400 -0.073 0.000 0.775 56 E CB 1.025 30.654 29.700 -0.119 0.000 1.097 56 E HN 0.394 nan 8.360 nan 0.000 0.404 57 D N 3.223 123.596 120.400 -0.046 0.000 2.325 57 D HA 0.051 4.680 4.640 -0.018 0.000 0.251 57 D C -0.501 175.784 176.300 -0.025 0.000 1.196 57 D CA -0.514 53.472 54.000 -0.024 0.000 0.866 57 D CB 0.586 41.378 40.800 -0.012 0.000 1.101 57 D HN 0.213 nan 8.370 nan 0.000 0.476 58 R N 4.153 124.655 120.500 0.003 0.000 2.296 58 R HA 0.314 4.643 4.340 -0.018 0.000 0.323 58 R C 0.083 176.447 176.300 0.108 0.000 1.067 58 R CA -0.036 56.084 56.100 0.034 0.000 0.946 58 R CB 0.375 30.738 30.300 0.105 0.000 0.991 58 R HN 0.504 nan 8.270 nan 0.000 0.448 59 R N 2.279 122.803 120.500 0.040 0.000 2.803 59 R HA 0.532 4.861 4.340 -0.018 0.000 0.276 59 R C -0.759 175.556 176.300 0.025 0.000 0.978 59 R CA -0.680 55.482 56.100 0.103 0.000 0.939 59 R CB 1.587 31.904 30.300 0.028 0.000 1.179 59 R HN 0.244 nan 8.270 nan 0.000 0.472 60 F N 0.243 120.181 119.950 -0.020 0.000 2.577 60 F HA 0.513 5.030 4.527 -0.018 0.000 0.318 60 F C 0.105 175.901 175.800 -0.006 0.000 1.065 60 F CA -0.869 57.113 58.000 -0.030 0.000 0.929 60 F CB 2.034 41.003 39.000 -0.053 0.000 1.237 60 F HN 0.204 nan 8.300 nan 0.000 0.468 61 R N 1.587 122.168 120.500 0.136 0.000 2.562 61 R HA 0.881 5.210 4.340 -0.018 0.000 0.298 61 R C -2.069 174.279 176.300 0.081 0.000 0.961 61 R CA -0.531 55.651 56.100 0.136 0.000 0.881 61 R CB 1.679 32.071 30.300 0.152 0.000 1.159 61 R HN 0.550 nan 8.270 nan 0.000 0.450 62 V N 4.297 124.293 119.914 0.137 0.000 2.925 62 V HA 0.532 4.641 4.120 -0.018 0.000 0.311 62 V C -1.218 175.101 176.094 0.375 0.000 1.104 62 V CA -0.830 61.532 62.300 0.103 0.000 0.954 62 V CB 2.041 33.915 31.823 0.086 0.000 1.022 62 V HN 0.569 nan 8.190 nan 0.000 0.427 63 F N 3.698 123.806 119.950 0.262 0.000 2.402 63 F HA 0.622 5.138 4.527 -0.018 0.000 0.355 63 F C 0.104 176.007 175.800 0.172 0.000 1.123 63 F CA -1.710 56.445 58.000 0.258 0.000 1.021 63 F CB 1.249 40.451 39.000 0.337 0.000 1.160 63 F HN 0.198 nan 8.300 nan 0.000 0.451 64 I N 3.930 124.686 120.570 0.310 0.000 2.330 64 I HA 0.200 4.359 4.170 -0.018 0.000 0.289 64 I C -0.144 176.075 176.117 0.170 0.000 1.001 64 I CA -0.698 60.718 61.300 0.194 0.000 1.193 64 I CB 1.128 39.202 38.000 0.123 0.000 1.345 64 I HN 0.528 nan 8.210 nan 0.000 0.461 65 H N 5.958 125.070 119.070 0.070 0.000 2.505 65 H HA 0.304 4.849 4.556 -0.018 0.000 0.351 65 H C -1.049 174.289 175.328 0.017 0.000 1.151 65 H CA -0.220 55.847 56.048 0.032 0.000 1.339 65 H CB 1.264 31.041 29.762 0.025 0.000 1.483 65 H HN 0.503 nan 8.280 nan 0.000 0.558 66 D N 4.099 124.065 120.400 -0.724 0.000 2.481 66 D HA 0.072 4.701 4.640 -0.018 0.000 0.246 66 D C 1.010 176.874 176.300 -0.727 0.000 1.109 66 D CA -0.502 53.193 54.000 -0.509 0.000 0.845 66 D CB 1.469 42.120 40.800 -0.248 0.000 1.160 66 D HN 0.497 nan 8.370 nan 0.000 0.534 67 V N 2.198 121.863 119.914 -0.415 0.000 3.305 67 V HA -0.063 4.047 4.120 -0.018 0.000 0.269 67 V C 1.501 177.544 176.094 -0.084 0.000 1.157 67 V CA 1.681 63.884 62.300 -0.163 0.000 1.157 67 V CB -0.714 31.117 31.823 0.014 0.000 0.772 67 V HN 0.485 nan 8.190 nan 0.000 0.498 68 S N -0.669 114.968 115.700 -0.106 0.000 2.535 68 S HA 0.482 4.942 4.470 -0.018 0.000 0.214 68 S C 1.681 176.247 174.600 -0.056 0.000 0.980 68 S CA 0.739 58.904 58.200 -0.057 0.000 0.907 68 S CB 0.493 63.665 63.200 -0.047 0.000 0.790 68 S HN 1.648 nan 8.310 nan 0.000 0.510 69 G N 0.734 109.483 108.800 -0.086 0.000 2.218 69 G HA2 -0.050 3.899 3.960 -0.018 0.000 0.216 69 G HA3 -0.050 3.899 3.960 -0.018 0.000 0.216 69 G C 0.360 175.221 174.900 -0.065 0.000 0.994 69 G CA -0.150 44.916 45.100 -0.057 0.000 0.637 69 G HN 1.200 nan 8.290 nan 0.000 0.505 70 A N 0.754 123.526 122.820 -0.080 0.000 2.448 70 A HA 0.578 4.887 4.320 -0.018 0.000 0.239 70 A C 0.946 178.484 177.584 -0.077 0.000 1.080 70 A CA 0.254 52.250 52.037 -0.069 0.000 0.779 70 A CB 0.165 19.126 19.000 -0.065 0.000 1.026 70 A HN 0.536 nan 8.150 nan 0.000 0.499 71 R N 1.471 121.932 120.500 -0.065 0.000 2.537 71 R HA 0.196 4.525 4.340 -0.018 0.000 0.280 71 R C -2.183 174.073 176.300 -0.073 0.000 1.058 71 R CA -0.966 55.090 56.100 -0.073 0.000 1.057 71 R CB -0.070 30.187 30.300 -0.071 0.000 0.973 71 R HN 0.613 nan 8.270 nan 0.000 0.438 72 P HA 0.077 nan 4.420 nan 0.000 0.277 72 P C -0.918 176.349 177.300 -0.055 0.000 1.276 72 P CA -0.305 62.764 63.100 -0.051 0.000 0.788 72 P CB 0.839 32.519 31.700 -0.034 0.000 1.114 73 Q N -1.361 118.439 119.800 -0.000 0.000 2.416 73 Q HA 0.394 4.723 4.340 -0.018 0.000 0.281 73 Q C -0.988 175.079 176.000 0.112 0.000 1.067 73 Q CA -0.667 55.149 55.803 0.022 0.000 0.809 73 Q CB 2.514 31.275 28.738 0.038 0.000 1.418 73 Q HN 0.419 nan 8.270 nan 0.000 0.411 74 E N 1.435 121.712 120.200 0.130 0.000 2.158 74 E HA 0.530 4.869 4.350 -0.018 0.000 0.271 74 E C -1.518 175.213 176.600 0.219 0.000 0.911 74 E CA -0.565 56.006 56.400 0.285 0.000 0.767 74 E CB 1.352 31.227 29.700 0.292 0.000 1.120 74 E HN 0.327 nan 8.360 nan 0.000 0.405 75 V N 3.222 123.280 119.914 0.241 0.000 2.789 75 V HA 0.418 4.528 4.120 -0.018 0.000 0.311 75 V C -0.323 175.866 176.094 0.158 0.000 1.073 75 V CA -0.783 61.613 62.300 0.160 0.000 0.921 75 V CB 2.252 34.149 31.823 0.122 0.000 1.009 75 V HN 0.720 nan 8.190 nan 0.000 0.426 76 T N 3.695 118.322 114.554 0.122 0.000 2.807 76 T HA 0.724 5.063 4.350 -0.018 0.000 0.279 76 T C -0.529 174.226 174.700 0.093 0.000 0.993 76 T CA -0.447 61.721 62.100 0.113 0.000 0.970 76 T CB 1.602 70.527 68.868 0.095 0.000 0.950 76 T HN 0.857 nan 8.240 nan 0.000 0.441 77 V N 0.363 120.341 119.914 0.106 0.000 3.040 77 V HA 0.903 5.012 4.120 -0.018 0.000 0.312 77 V C -0.339 175.815 176.094 0.101 0.000 1.115 77 V CA -0.960 61.390 62.300 0.083 0.000 0.998 77 V CB 2.151 34.008 31.823 0.056 0.000 1.042 77 V HN 0.756 nan 8.190 nan 0.000 0.433 78 S N 1.441 117.181 115.700 0.067 0.000 2.448 78 S HA 0.430 4.889 4.470 -0.018 0.000 0.320 78 S C 0.787 175.416 174.600 0.048 0.000 1.071 78 S CA -0.042 58.198 58.200 0.067 0.000 1.113 78 S CB 0.983 64.206 63.200 0.039 0.000 0.972 78 S HN 1.896 nan 8.310 nan 0.000 0.465 79 V N 3.748 123.702 119.914 0.066 0.000 2.809 79 V HA 0.011 4.120 4.120 -0.018 0.000 0.256 79 V C 1.889 177.985 176.094 0.005 0.000 1.080 79 V CA 1.824 64.124 62.300 -0.001 0.000 1.102 79 V CB -1.615 30.179 31.823 -0.048 0.000 0.705 79 V HN 0.786 nan 8.190 nan 0.000 0.475 80 T N 1.486 116.056 114.554 0.025 0.000 2.770 80 T HA -0.060 4.279 4.350 -0.018 0.000 0.263 80 T C 1.704 176.407 174.700 0.005 0.000 1.039 80 T CA 1.881 63.988 62.100 0.013 0.000 1.142 80 T CB -0.405 68.471 68.868 0.014 0.000 0.868 80 T HN 0.544 nan 8.240 nan 0.000 0.435 81 N N 0.487 119.192 118.700 0.008 0.000 2.353 81 N HA 0.139 4.868 4.740 -0.018 0.000 0.185 81 N C 1.336 176.847 175.510 0.002 0.000 1.098 81 N CA 0.623 53.676 53.050 0.005 0.000 0.872 81 N CB 0.241 38.733 38.487 0.007 0.000 0.970 81 N HN 0.533 nan 8.380 nan 0.000 0.467 82 G N 1.639 110.439 108.800 -0.000 0.000 2.273 82 G HA2 -0.270 3.679 3.960 -0.018 0.000 0.280 82 G HA3 -0.270 3.679 3.960 -0.018 0.000 0.280 82 G C 0.147 175.047 174.900 -0.001 0.000 1.047 82 G CA 1.044 46.140 45.100 -0.007 0.000 0.869 82 G HN 0.510 nan 8.290 nan 0.000 0.502 83 T N -3.734 110.824 114.554 0.007 0.000 2.916 83 T HA 0.701 5.040 4.350 -0.018 0.000 0.292 83 T C -0.266 174.446 174.700 0.020 0.000 1.055 83 T CA -0.663 61.444 62.100 0.011 0.000 1.009 83 T CB 2.759 71.634 68.868 0.012 0.000 1.118 83 T HN 0.728 nan 8.240 nan 0.000 0.497 84 V N 2.917 122.843 119.914 0.021 0.000 2.385 84 V HA 0.279 4.388 4.120 -0.018 0.000 0.269 84 V C 1.249 177.362 176.094 0.032 0.000 1.043 84 V CA -0.434 61.884 62.300 0.030 0.000 0.906 84 V CB 0.348 32.188 31.823 0.029 0.000 0.995 84 V HN 0.879 nan 8.190 nan 0.000 0.467 85 I N 3.269 123.862 120.570 0.040 0.000 2.333 85 I HA 0.001 4.161 4.170 -0.018 0.000 0.246 85 I C 0.930 177.069 176.117 0.037 0.000 1.106 85 I CA 0.986 62.307 61.300 0.036 0.000 1.411 85 I CB 0.193 38.217 38.000 0.040 0.000 1.082 85 I HN 0.762 nan 8.210 nan 0.000 0.420 86 S N -0.012 115.717 115.700 0.047 0.000 2.537 86 S HA 0.801 5.260 4.470 -0.018 0.000 0.271 86 S C -0.908 173.727 174.600 0.059 0.000 1.148 86 S CA -0.674 57.554 58.200 0.048 0.000 0.868 86 S CB 2.320 65.549 63.200 0.049 0.000 1.115 86 S HN 0.176 nan 8.310 nan 0.000 0.461 87 A N 1.759 124.609 122.820 0.050 0.000 2.442 87 A HA 0.725 5.035 4.320 -0.018 0.000 0.284 87 A C -1.172 176.436 177.584 0.040 0.000 1.058 87 A CA -0.659 51.410 52.037 0.055 0.000 0.738 87 A CB 1.200 20.227 19.000 0.044 0.000 1.242 87 A HN 1.214 nan 8.150 nan 0.000 0.421 88 V N 1.874 121.815 119.914 0.045 0.000 2.604 88 V HA 0.424 4.533 4.120 -0.018 0.000 0.305 88 V C 0.276 176.368 176.094 -0.003 0.000 1.043 88 V CA -0.697 61.615 62.300 0.020 0.000 0.888 88 V CB 1.812 33.648 31.823 0.023 0.000 0.995 88 V HN 0.981 nan 8.190 nan 0.000 0.429 89 E N 3.090 123.276 120.200 -0.024 0.000 2.354 89 E HA 0.436 4.775 4.350 -0.018 0.000 0.269 89 E C -1.328 175.217 176.600 -0.092 0.000 1.036 89 E CA -0.385 55.986 56.400 -0.049 0.000 0.876 89 E CB 0.871 30.545 29.700 -0.043 0.000 1.009 89 E HN 0.525 nan 8.360 nan 0.000 0.416 90 L N 3.519 124.656 121.223 -0.144 0.000 2.307 90 L HA 0.258 4.588 4.340 -0.018 0.000 0.284 90 L C -0.205 176.539 176.870 -0.210 0.000 1.023 90 L CA -0.764 53.931 54.840 -0.242 0.000 0.810 90 L CB 1.514 43.316 42.059 -0.428 0.000 1.231 90 L HN 0.512 nan 8.230 nan 0.000 0.423 91 D N 1.444 121.725 120.400 -0.199 0.000 2.500 91 D HA 0.054 4.683 4.640 -0.018 0.000 0.219 91 D C 1.359 177.550 176.300 -0.182 0.000 1.137 91 D CA -0.236 53.675 54.000 -0.148 0.000 0.946 91 D CB 1.043 41.781 40.800 -0.103 0.000 1.022 91 D HN 0.679 nan 8.370 nan 0.000 0.518 92 T N 0.393 114.830 114.554 -0.194 0.000 2.759 92 T HA -0.195 4.144 4.350 -0.018 0.000 0.269 92 T C 1.873 176.506 174.700 -0.113 0.000 1.042 92 T CA 1.090 63.070 62.100 -0.200 0.000 1.140 92 T CB -0.185 68.585 68.868 -0.164 0.000 0.864 92 T HN 0.235 nan 8.240 nan 0.000 0.455 93 A N 1.069 123.845 122.820 -0.074 0.000 2.125 93 A HA 0.446 4.755 4.320 -0.018 0.000 0.219 93 A C 2.522 180.095 177.584 -0.019 0.000 1.156 93 A CA 1.602 53.616 52.037 -0.038 0.000 0.671 93 A CB -0.928 18.053 19.000 -0.032 0.000 0.794 93 A HN 0.806 nan 8.150 nan 0.000 0.459 94 A N -1.050 121.749 122.820 -0.034 0.000 2.010 94 A HA 0.168 4.477 4.320 -0.018 0.000 0.210 94 A C 2.172 179.785 177.584 0.048 0.000 1.479 94 A CA 1.530 53.567 52.037 -0.001 0.000 0.748 94 A CB -0.747 18.237 19.000 -0.027 0.000 1.125 94 A HN 0.645 nan 8.150 nan 0.000 0.522 95 T N -2.984 111.517 114.554 -0.089 0.000 3.100 95 T HA 0.462 4.802 4.350 -0.018 0.000 0.253 95 T C 0.864 175.244 174.700 -0.533 0.000 1.118 95 T CA 0.912 62.869 62.100 -0.239 0.000 1.058 95 T CB -0.167 68.557 68.868 -0.240 0.000 0.953 95 T HN 1.945 nan 8.240 nan 0.000 0.515 96 G N 0.663 109.298 108.800 -0.275 0.000 2.576 96 G HA2 0.092 4.041 3.960 -0.018 0.000 0.686 96 G HA3 0.092 4.041 3.960 -0.018 0.000 0.686 96 G C -1.171 173.596 174.900 -0.222 0.000 1.242 96 G CA -1.065 43.915 45.100 -0.199 0.000 0.819 96 G HN 0.206 nan 8.290 nan 0.000 0.655 97 E N 0.106 120.252 120.200 -0.089 0.000 2.349 97 E HA 0.479 4.818 4.350 -0.018 0.000 0.262 97 E C 1.110 177.698 176.600 -0.020 0.000 1.088 97 E CA -0.450 55.902 56.400 -0.080 0.000 0.899 97 E CB 1.033 30.717 29.700 -0.027 0.000 1.044 97 E HN 0.490 nan 8.360 nan 0.000 0.420 98 L N 2.684 123.904 121.223 -0.005 0.000 2.466 98 L HA 0.207 4.536 4.340 -0.018 0.000 0.257 98 L C -1.788 175.150 176.870 0.113 0.000 1.189 98 L CA -1.747 53.164 54.840 0.118 0.000 0.813 98 L CB -0.034 42.108 42.059 0.138 0.000 1.118 98 L HN 0.218 nan 8.230 nan 0.000 0.471 99 P HA -0.000 nan 4.420 nan 0.000 0.268 99 P C -0.543 176.806 177.300 0.082 0.000 1.208 99 P CA -0.234 62.962 63.100 0.161 0.000 0.777 99 P CB 0.432 32.258 31.700 0.210 0.000 0.875 100 V N 3.098 123.069 119.914 0.095 0.000 2.673 100 V HA -0.041 4.069 4.120 -0.018 0.000 0.303 100 V C 1.029 177.028 176.094 -0.158 0.000 1.046 100 V CA 0.191 62.419 62.300 -0.121 0.000 1.126 100 V CB -0.507 31.177 31.823 -0.231 0.000 0.934 100 V HN 0.313 nan 8.190 nan 0.000 0.487 101 L N 3.339 124.384 121.223 -0.296 0.000 2.334 101 L HA 0.303 4.632 4.340 -0.018 0.000 0.277 101 L C 1.591 178.349 176.870 -0.186 0.000 1.075 101 L CA -0.114 54.614 54.840 -0.186 0.000 0.804 101 L CB 0.951 42.887 42.059 -0.205 0.000 1.174 101 L HN 0.777 nan 8.230 nan 0.000 0.438 102 E N 2.032 122.278 120.200 0.076 0.000 2.160 102 E HA -0.256 4.083 4.350 -0.018 0.000 0.195 102 E C 1.499 178.207 176.600 0.179 0.000 0.991 102 E CA 1.789 58.380 56.400 0.317 0.000 0.810 102 E CB 0.254 30.146 29.700 0.321 0.000 0.742 102 E HN 0.792 nan 8.360 nan 0.000 0.466 103 E N -0.081 120.141 120.200 0.038 0.000 2.347 103 E HA -0.169 4.170 4.350 -0.018 0.000 0.196 103 E C 1.498 178.095 176.600 -0.006 0.000 1.008 103 E CA 0.855 57.276 56.400 0.034 0.000 0.852 103 E CB -0.013 29.695 29.700 0.013 0.000 0.783 103 E HN 0.379 nan 8.360 nan 0.000 0.505 104 E N 0.046 120.173 120.200 -0.121 0.000 2.230 104 E HA -0.033 4.306 4.350 -0.018 0.000 0.192 104 E C 1.373 177.901 176.600 -0.120 0.000 0.987 104 E CA 0.357 56.657 56.400 -0.165 0.000 0.841 104 E CB -0.089 29.436 29.700 -0.292 0.000 0.783 104 E HN 0.230 nan 8.360 nan 0.000 0.481 105 F N 2.126 122.073 119.950 -0.005 0.000 2.161 105 F HA -0.167 4.350 4.527 -0.018 0.000 0.300 105 F C 2.046 177.842 175.800 -0.008 0.000 1.089 105 F CA 1.284 59.275 58.000 -0.015 0.000 1.282 105 F CB -0.418 38.559 39.000 -0.039 0.000 1.010 105 F HN 0.017 nan 8.300 nan 0.000 0.485 106 E N -0.235 120.075 120.200 0.184 0.000 2.150 106 E HA -0.140 4.199 4.350 -0.018 0.000 0.193 106 E C 2.338 178.972 176.600 0.057 0.000 0.985 106 E CA 1.229 57.693 56.400 0.106 0.000 0.814 106 E CB -0.427 29.328 29.700 0.093 0.000 0.752 106 E HN 0.207 nan 8.360 nan 0.000 0.466 107 V N 1.335 121.272 119.914 0.038 0.000 2.332 107 V HA -0.278 3.832 4.120 -0.018 0.000 0.248 107 V C 2.361 178.442 176.094 -0.021 0.000 1.055 107 V CA 1.469 63.772 62.300 0.005 0.000 1.038 107 V CB -0.508 31.309 31.823 -0.010 0.000 0.651 107 V HN 0.145 nan 8.190 nan 0.000 0.450 108 V N -0.064 119.841 119.914 -0.015 0.000 2.219 108 V HA -0.368 3.741 4.120 -0.018 0.000 0.248 108 V C 2.439 178.455 176.094 -0.130 0.000 1.053 108 V CA 2.599 64.859 62.300 -0.067 0.000 1.009 108 V CB -0.712 31.100 31.823 -0.019 0.000 0.636 108 V HN 0.661 nan 8.190 nan 0.000 0.445 109 E N -0.445 119.712 120.200 -0.073 0.000 2.085 109 E HA -0.286 4.053 4.350 -0.018 0.000 0.194 109 E C 2.302 178.856 176.600 -0.077 0.000 0.994 109 E CA 1.628 57.980 56.400 -0.080 0.000 0.801 109 E CB -0.086 29.615 29.700 0.001 0.000 0.743 109 E HN 0.706 nan 8.360 nan 0.000 0.453 110 Q N 0.182 119.957 119.800 -0.042 0.000 2.020 110 Q HA -0.169 4.160 4.340 -0.018 0.000 0.202 110 Q C 2.471 178.441 176.000 -0.051 0.000 0.982 110 Q CA 1.516 57.304 55.803 -0.026 0.000 0.838 110 Q CB -0.120 28.615 28.738 -0.006 0.000 0.899 110 Q HN 0.359 nan 8.270 nan 0.000 0.423 111 L N 0.316 121.492 121.223 -0.079 0.000 2.046 111 L HA -0.202 4.127 4.340 -0.018 0.000 0.208 111 L C 2.325 179.111 176.870 -0.140 0.000 1.077 111 L CA 0.920 55.706 54.840 -0.091 0.000 0.747 111 L CB -0.371 41.632 42.059 -0.094 0.000 0.896 111 L HN 0.281 nan 8.230 nan 0.000 0.432 112 L N -0.447 120.610 121.223 -0.277 0.000 2.131 112 L HA -0.173 4.157 4.340 -0.018 0.000 0.210 112 L C 2.787 179.545 176.870 -0.187 0.000 1.092 112 L CA 0.907 55.452 54.840 -0.491 0.000 0.759 112 L CB -0.683 40.626 42.059 -1.250 0.000 0.903 112 L HN 0.239 nan 8.230 nan 0.000 0.435 113 A N -0.170 122.614 122.820 -0.059 0.000 2.076 113 A HA -0.182 4.127 4.320 -0.018 0.000 0.220 113 A C 2.129 179.768 177.584 0.091 0.000 1.160 113 A CA 2.065 54.158 52.037 0.094 0.000 0.653 113 A CB -0.695 18.342 19.000 0.061 0.000 0.801 113 A HN 0.521 nan 8.150 nan 0.000 0.455 114 T N -3.519 111.061 114.554 0.043 0.000 3.085 114 T HA 0.169 4.509 4.350 -0.018 0.000 0.264 114 T C 0.101 174.830 174.700 0.047 0.000 1.019 114 T CA 0.022 62.147 62.100 0.042 0.000 0.910 114 T CB -0.064 68.816 68.868 0.019 0.000 1.059 114 T HN 0.340 nan 8.240 nan 0.000 0.542 115 D N 1.525 121.966 120.400 0.068 0.000 2.280 115 D HA 0.140 4.769 4.640 -0.018 0.000 0.243 115 D C 0.664 177.036 176.300 0.120 0.000 1.129 115 D CA -0.146 53.900 54.000 0.076 0.000 0.848 115 D CB 1.461 42.295 40.800 0.057 0.000 1.107 115 D HN 0.302 nan 8.370 nan 0.000 0.471 116 E N 2.866 123.111 120.200 0.075 0.000 2.085 116 E HA -0.219 4.120 4.350 -0.018 0.000 0.194 116 E C 1.837 178.479 176.600 0.070 0.000 0.994 116 E CA 1.103 57.540 56.400 0.062 0.000 0.801 116 E CB 0.259 29.981 29.700 0.036 0.000 0.743 116 E HN 0.469 nan 8.360 nan 0.000 0.453 117 R N 0.157 120.705 120.500 0.080 0.000 2.081 117 R HA -0.130 4.199 4.340 -0.018 0.000 0.235 117 R C 2.227 178.597 176.300 0.117 0.000 1.131 117 R CA 1.452 57.597 56.100 0.075 0.000 0.960 117 R CB -0.358 29.983 30.300 0.067 0.000 0.856 117 R HN 0.416 nan 8.270 nan 0.000 0.436 118 W N 1.512 122.790 121.300 -0.036 0.000 2.379 118 W HA -0.148 4.501 4.660 -0.018 0.000 0.307 118 W C 1.509 178.014 176.519 -0.025 0.000 1.200 118 W CA 1.267 58.592 57.345 -0.034 0.000 1.297 118 W CB -0.163 29.279 29.460 -0.030 0.000 1.140 118 W HN 0.083 nan 8.180 nan 0.000 0.507 119 L N 0.777 122.079 121.223 0.132 0.000 2.046 119 L HA -0.259 4.071 4.340 -0.018 0.000 0.208 119 L C 2.597 179.429 176.870 -0.062 0.000 1.077 119 L CA 1.749 56.600 54.840 0.018 0.000 0.747 119 L CB -0.969 41.131 42.059 0.067 0.000 0.896 119 L HN -0.087 nan 8.230 nan 0.000 0.432 120 K N 0.260 120.637 120.400 -0.038 0.000 2.147 120 K HA -0.157 4.152 4.320 -0.018 0.000 0.205 120 K C 2.115 178.654 176.600 -0.102 0.000 1.049 120 K CA 1.184 57.439 56.287 -0.053 0.000 0.936 120 K CB -0.027 32.458 32.500 -0.026 0.000 0.722 120 K HN 0.279 nan 8.250 nan 0.000 0.446 121 A N 0.926 123.651 122.820 -0.160 0.000 1.929 121 A HA -0.064 4.245 4.320 -0.018 0.000 0.216 121 A C 2.009 179.428 177.584 -0.276 0.000 1.176 121 A CA 0.995 52.898 52.037 -0.224 0.000 0.628 121 A CB -0.412 18.402 19.000 -0.311 0.000 0.816 121 A HN 0.274 nan 8.150 nan 0.000 0.444 122 L N -0.926 120.092 121.223 -0.343 0.000 2.072 122 L HA -0.118 4.212 4.340 -0.018 0.000 0.205 122 L C 3.082 179.855 176.870 -0.162 0.000 1.079 122 L CA 0.950 55.615 54.840 -0.293 0.000 0.752 122 L CB -0.627 41.247 42.059 -0.309 0.000 0.906 122 L HN 0.417 nan 8.230 nan 0.000 0.436 123 A N 0.388 123.134 122.820 -0.123 0.000 1.933 123 A HA -0.172 4.137 4.320 -0.018 0.000 0.218 123 A C 2.502 180.042 177.584 -0.073 0.000 1.175 123 A CA 1.688 53.678 52.037 -0.078 0.000 0.628 123 A CB -0.654 18.312 19.000 -0.056 0.000 0.814 123 A HN 0.394 nan 8.150 nan 0.000 0.444 124 A N -0.549 122.221 122.820 -0.084 0.000 2.070 124 A HA -0.109 4.200 4.320 -0.018 0.000 0.220 124 A C 2.059 179.601 177.584 -0.069 0.000 1.159 124 A CA 1.411 53.406 52.037 -0.070 0.000 0.656 124 A CB -0.312 18.644 19.000 -0.073 0.000 0.800 124 A HN 0.558 nan 8.150 nan 0.000 0.453 125 R N -0.894 119.555 120.500 -0.085 0.000 2.432 125 R HA 0.122 4.451 4.340 -0.018 0.000 0.260 125 R C -0.311 175.950 176.300 -0.064 0.000 0.935 125 R CA 0.071 56.127 56.100 -0.073 0.000 1.080 125 R CB 0.213 30.457 30.300 -0.093 0.000 1.155 125 R HN 0.431 nan 8.270 nan 0.000 0.531 126 N N 1.029 119.692 118.700 -0.061 0.000 2.735 126 N HA -0.182 4.547 4.740 -0.018 0.000 0.248 126 N C -0.995 174.484 175.510 -0.052 0.000 1.083 126 N CA 0.993 54.013 53.050 -0.049 0.000 0.703 126 N CB -1.302 37.162 38.487 -0.037 0.000 1.005 126 N HN 0.286 nan 8.380 nan 0.000 0.550 127 L N 0.188 121.370 121.223 -0.068 0.000 2.307 127 L HA 0.358 4.687 4.340 -0.018 0.000 0.284 127 L C 0.550 177.388 176.870 -0.053 0.000 1.023 127 L CA -0.895 53.905 54.840 -0.066 0.000 0.810 127 L CB 1.547 43.550 42.059 -0.093 0.000 1.231 127 L HN -0.095 nan 8.230 nan 0.000 0.423 128 D N 1.950 122.332 120.400 -0.031 0.000 2.317 128 D HA 0.036 4.665 4.640 -0.018 0.000 0.252 128 D C 0.770 177.072 176.300 0.003 0.000 1.174 128 D CA -0.089 53.904 54.000 -0.012 0.000 0.866 128 D CB 1.898 42.696 40.800 -0.003 0.000 1.127 128 D HN 0.278 nan 8.370 nan 0.000 0.467 129 V N 3.926 123.851 119.914 0.019 0.000 2.453 129 V HA -0.265 3.844 4.120 -0.018 0.000 0.252 129 V C 2.001 178.138 176.094 0.071 0.000 1.068 129 V CA 2.977 65.316 62.300 0.065 0.000 1.070 129 V CB -0.612 31.270 31.823 0.098 0.000 0.664 129 V HN 0.750 nan 8.190 nan 0.000 0.461 130 S N -1.023 114.705 115.700 0.047 0.000 2.469 130 S HA -0.140 4.319 4.470 -0.018 0.000 0.238 130 S C 1.708 176.329 174.600 0.034 0.000 0.998 130 S CA 1.309 59.534 58.200 0.041 0.000 0.957 130 S CB -0.395 62.823 63.200 0.031 0.000 0.764 130 S HN 0.760 nan 8.310 nan 0.000 0.514 131 K N 0.647 121.064 120.400 0.028 0.000 2.358 131 K HA 0.304 4.613 4.320 -0.018 0.000 0.200 131 K C -0.776 175.836 176.600 0.020 0.000 1.030 131 K CA -0.069 56.228 56.287 0.016 0.000 1.097 131 K CB 1.052 33.555 32.500 0.006 0.000 0.862 131 K HN 0.210 nan 8.250 nan 0.000 0.534 132 V N 3.371 123.315 119.914 0.049 0.000 2.348 132 V HA 0.210 4.319 4.120 -0.018 0.000 0.270 132 V C 0.172 176.330 176.094 0.106 0.000 1.037 132 V CA -0.743 61.604 62.300 0.079 0.000 0.872 132 V CB 0.761 32.651 31.823 0.111 0.000 1.002 132 V HN 0.147 nan 8.190 nan 0.000 0.464 133 R N 3.336 123.881 120.500 0.076 0.000 2.410 133 R HA 0.593 4.922 4.340 -0.018 0.000 0.288 133 R C -0.783 175.602 176.300 0.141 0.000 1.051 133 R CA -0.493 55.640 56.100 0.054 0.000 1.021 133 R CB 1.816 32.079 30.300 -0.063 0.000 1.032 133 R HN 0.452 nan 8.270 nan 0.000 0.481 134 V N 2.103 122.095 119.914 0.129 0.000 2.444 134 V HA 0.381 4.490 4.120 -0.018 0.000 0.294 134 V C 0.091 176.293 176.094 0.180 0.000 1.022 134 V CA -1.159 61.252 62.300 0.185 0.000 0.850 134 V CB 1.622 33.502 31.823 0.094 0.000 0.992 134 V HN 0.838 nan 8.190 nan 0.000 0.426 135 A N 8.102 131.108 122.820 0.311 0.000 2.347 135 A HA 0.633 4.942 4.320 -0.018 0.000 0.287 135 A C -2.219 175.548 177.584 0.305 0.000 1.199 135 A CA -1.255 50.977 52.037 0.325 0.000 0.851 135 A CB 0.059 19.412 19.000 0.588 0.000 1.118 135 A HN 0.588 nan 8.150 nan 0.000 0.525 136 P HA 0.455 nan 4.420 nan 0.000 0.287 136 P C -1.136 176.360 177.300 0.326 0.000 1.294 136 P CA -0.119 63.145 63.100 0.274 0.000 0.776 136 P CB 1.153 33.075 31.700 0.370 0.000 0.889 137 L N 2.430 123.883 121.223 0.382 0.000 2.341 137 L HA 0.419 4.748 4.340 -0.018 0.000 0.267 137 L C 0.813 177.974 176.870 0.486 0.000 1.009 137 L CA -0.547 54.585 54.840 0.488 0.000 0.819 137 L CB 1.560 43.956 42.059 0.563 0.000 1.323 137 L HN 0.343 nan 8.230 nan 0.000 0.425 138 S N 0.139 116.198 115.700 0.598 0.000 2.573 138 S HA 0.322 4.781 4.470 -0.018 0.000 0.277 138 S C 0.927 175.744 174.600 0.361 0.000 1.346 138 S CA 0.009 58.483 58.200 0.458 0.000 1.034 138 S CB 0.954 64.424 63.200 0.450 0.000 0.879 138 S HN 0.757 nan 8.310 nan 0.000 0.528 139 A N 2.692 125.639 122.820 0.212 0.000 1.984 139 A HA 0.556 4.865 4.320 -0.018 0.000 0.214 139 A C 1.555 179.317 177.584 0.297 0.000 1.173 139 A CA 0.702 52.811 52.037 0.120 0.000 0.673 139 A CB -1.503 17.483 19.000 -0.024 0.000 0.830 139 A HN 2.292 nan 8.150 nan 0.000 0.453 140 G N -1.776 107.167 108.800 0.239 0.000 2.645 140 G HA2 -0.058 3.892 3.960 -0.018 0.000 0.239 140 G HA3 -0.058 3.892 3.960 -0.018 0.000 0.239 140 G C -0.396 174.474 174.900 -0.051 0.000 1.331 140 G CA -0.217 44.972 45.100 0.149 0.000 0.890 140 G HN 1.115 nan 8.290 nan 0.000 0.572 141 V N 0.962 120.619 119.914 -0.429 0.000 2.482 141 V HA 0.760 4.869 4.120 -0.018 0.000 0.295 141 V C -0.208 175.380 176.094 -0.844 0.000 1.026 141 V CA -0.312 61.735 62.300 -0.421 0.000 0.856 141 V CB 1.110 32.747 31.823 -0.311 0.000 1.001 141 V HN 0.710 nan 8.190 nan 0.000 0.424 142 F N 1.757 121.696 119.950 -0.018 0.000 3.305 142 F HA 0.494 5.010 4.527 -0.018 0.000 0.292 142 F C 1.205 176.896 175.800 -0.183 0.000 1.516 142 F CA -0.673 57.273 58.000 -0.090 0.000 1.010 142 F CB 0.490 39.435 39.000 -0.093 0.000 1.738 142 F HN 0.434 nan 8.300 nan 0.000 0.402 143 E N 0.528 120.632 120.200 -0.160 0.000 2.437 143 E HA 0.074 4.413 4.350 -0.018 0.000 0.195 143 E C -1.357 175.072 176.600 -0.286 0.000 1.029 143 E CA -0.021 56.239 56.400 -0.232 0.000 0.948 143 E CB -0.859 28.722 29.700 -0.197 0.000 1.082 143 E HN 0.439 nan 8.360 nan 0.000 0.456 144 Y N 0.991 121.343 120.300 0.087 0.000 2.535 144 Y HA 0.466 5.005 4.550 -0.018 0.000 0.349 144 Y C 1.577 177.500 175.900 0.038 0.000 0.992 144 Y CA -0.374 57.765 58.100 0.064 0.000 1.248 144 Y CB 1.137 39.630 38.460 0.054 0.000 1.124 144 Y HN 0.116 nan 8.280 nan 0.000 0.520 145 A N 2.697 125.606 122.820 0.148 0.000 1.948 145 A HA -0.225 4.084 4.320 -0.018 0.000 0.220 145 A C 2.190 179.825 177.584 0.085 0.000 1.177 145 A CA 1.917 54.006 52.037 0.087 0.000 0.636 145 A CB -0.308 18.731 19.000 0.064 0.000 0.815 145 A HN 0.773 nan 8.150 nan 0.000 0.449 146 E N 0.732 120.996 120.200 0.106 0.000 2.265 146 E HA -0.217 4.122 4.350 -0.018 0.000 0.196 146 E C 1.182 177.818 176.600 0.059 0.000 0.996 146 E CA 1.450 57.894 56.400 0.072 0.000 0.832 146 E CB -0.563 29.178 29.700 0.069 0.000 0.756 146 E HN 0.771 nan 8.360 nan 0.000 0.491 147 E N 0.751 121.000 120.200 0.082 0.000 2.482 147 E HA 0.010 4.350 4.350 -0.018 0.000 0.196 147 E C 0.178 176.797 176.600 0.031 0.000 1.047 147 E CA -0.150 56.281 56.400 0.052 0.000 0.869 147 E CB -0.029 29.715 29.700 0.072 0.000 0.836 147 E HN 0.189 nan 8.360 nan 0.000 0.520 148 R N 0.349 120.868 120.500 0.031 0.000 2.446 148 R HA 0.091 4.420 4.340 -0.018 0.000 0.314 148 R C 0.925 177.228 176.300 0.004 0.000 1.003 148 R CA 0.697 56.805 56.100 0.013 0.000 1.018 148 R CB 0.239 30.546 30.300 0.011 0.000 0.945 148 R HN 0.255 nan 8.270 nan 0.000 0.419 149 G N 2.696 111.493 108.800 -0.005 0.000 2.179 149 G HA2 -0.324 3.625 3.960 -0.018 0.000 0.260 149 G HA3 -0.324 3.625 3.960 -0.018 0.000 0.260 149 G C 0.144 175.040 174.900 -0.007 0.000 0.977 149 G CA -0.158 44.936 45.100 -0.011 0.000 0.641 149 G HN 0.529 nan 8.290 nan 0.000 0.533 150 R N -0.256 120.243 120.500 -0.001 0.000 2.540 150 R HA 0.598 4.927 4.340 -0.018 0.000 0.287 150 R C 0.259 176.557 176.300 -0.003 0.000 0.980 150 R CA -0.874 55.225 56.100 -0.000 0.000 0.966 150 R CB 1.153 31.454 30.300 0.002 0.000 1.106 150 R HN 0.159 nan 8.270 nan 0.000 0.480 151 R N 3.477 123.978 120.500 0.000 0.000 2.230 151 R HA 0.257 4.586 4.340 -0.018 0.000 0.337 151 R C -0.559 175.730 176.300 -0.018 0.000 1.063 151 R CA -0.259 55.838 56.100 -0.006 0.000 0.935 151 R CB 0.304 30.611 30.300 0.011 0.000 1.121 151 R HN 0.410 nan 8.270 nan 0.000 0.486 152 I N 5.359 125.916 120.570 -0.023 0.000 2.648 152 I HA 0.424 4.583 4.170 -0.018 0.000 0.304 152 I C -0.096 176.004 176.117 -0.029 0.000 1.009 152 I CA -0.923 60.354 61.300 -0.038 0.000 1.114 152 I CB 1.756 39.715 38.000 -0.068 0.000 1.293 152 I HN 0.582 nan 8.210 nan 0.000 0.449 153 L N 4.680 125.883 121.223 -0.033 0.000 2.422 153 L HA 0.528 4.857 4.340 -0.018 0.000 0.264 153 L C -0.372 176.478 176.870 -0.033 0.000 0.984 153 L CA -0.775 54.071 54.840 0.009 0.000 0.819 153 L CB 2.740 44.822 42.059 0.038 0.000 1.330 153 L HN 0.523 nan 8.230 nan 0.000 0.410 154 R N 0.790 121.258 120.500 -0.054 0.000 2.589 154 R HA 0.703 5.032 4.340 -0.018 0.000 0.293 154 R C -0.259 176.072 176.300 0.052 0.000 0.963 154 R CA -0.737 55.284 56.100 -0.132 0.000 0.905 154 R CB 2.081 31.955 30.300 -0.710 0.000 1.144 154 R HN 0.741 nan 8.270 nan 0.000 0.459 155 G N 2.432 111.276 108.800 0.073 0.000 2.513 155 G HA2 0.595 4.544 3.960 -0.018 0.000 0.317 155 G HA3 0.595 4.544 3.960 -0.018 0.000 0.317 155 G C -0.950 174.117 174.900 0.279 0.000 1.277 155 G CA -0.607 44.582 45.100 0.149 0.000 0.955 155 G HN 0.287 nan 8.290 nan 0.000 0.484 156 L N 1.457 122.910 121.223 0.384 0.000 2.346 156 L HA 0.699 5.028 4.340 -0.018 0.000 0.276 156 L C 0.515 177.523 176.870 0.231 0.000 1.006 156 L CA -1.002 54.049 54.840 0.353 0.000 0.817 156 L CB 2.170 44.522 42.059 0.487 0.000 1.272 156 L HN 0.636 nan 8.230 nan 0.000 0.421 157 A N 3.014 125.864 122.820 0.050 0.000 2.304 157 A HA 0.845 5.154 4.320 -0.018 0.000 0.301 157 A C -1.150 176.124 177.584 -0.517 0.000 1.132 157 A CA -0.129 51.899 52.037 -0.015 0.000 0.819 157 A CB 0.455 19.518 19.000 0.105 0.000 1.094 157 A HN 0.508 nan 8.150 nan 0.000 0.492 158 F N 0.511 120.443 119.950 -0.030 0.000 2.591 158 F HA 0.449 4.966 4.527 -0.018 0.000 0.309 158 F C -0.191 175.562 175.800 -0.078 0.000 1.098 158 F CA -0.682 57.252 58.000 -0.109 0.000 0.937 158 F CB 2.326 41.138 39.000 -0.313 0.000 1.250 158 F HN 0.314 nan 8.300 nan 0.000 0.447 159 V N 2.452 122.453 119.914 0.144 0.000 2.465 159 V HA 0.346 4.455 4.120 -0.018 0.000 0.279 159 V C -0.415 175.732 176.094 0.088 0.000 1.045 159 V CA -0.581 61.765 62.300 0.076 0.000 0.938 159 V CB 1.424 33.255 31.823 0.014 0.000 0.986 159 V HN 0.758 nan 8.190 nan 0.000 0.467 160 Q N 2.995 122.794 119.800 -0.003 0.000 2.394 160 Q HA 0.243 4.572 4.340 -0.018 0.000 0.259 160 Q C 0.078 176.028 176.000 -0.083 0.000 1.021 160 Q CA -0.617 55.142 55.803 -0.072 0.000 0.805 160 Q CB 1.237 29.899 28.738 -0.127 0.000 1.226 160 Q HN 0.768 nan 8.270 nan 0.000 0.476 161 D N 3.525 123.864 120.400 -0.101 0.000 2.178 161 D HA -0.034 4.595 4.640 -0.018 0.000 0.201 161 D C 0.153 176.559 176.300 0.178 0.000 0.980 161 D CA 1.295 55.315 54.000 0.033 0.000 0.842 161 D CB 0.123 41.024 40.800 0.169 0.000 0.948 161 D HN 0.439 nan 8.370 nan 0.000 0.472 162 F N -4.146 115.801 119.950 -0.005 0.000 2.711 162 F HA 0.406 4.922 4.527 -0.018 0.000 0.313 162 F C -2.404 173.385 175.800 -0.017 0.000 1.141 162 F CA -2.359 55.632 58.000 -0.015 0.000 0.941 162 F CB 0.479 39.465 39.000 -0.024 0.000 1.349 162 F HN -0.414 nan 8.300 nan 0.000 0.464 163 P HA -0.181 nan 4.420 nan 0.000 0.218 163 P C 0.262 177.549 177.300 -0.022 0.000 1.154 163 P CA 2.171 65.298 63.100 0.044 0.000 0.872 163 P CB 0.145 31.898 31.700 0.087 0.000 0.790 164 E N -1.692 118.532 120.200 0.040 0.000 2.465 164 E HA 0.091 4.431 4.350 -0.018 0.000 0.195 164 E C -0.056 176.369 176.600 -0.292 0.000 1.028 164 E CA -0.080 56.300 56.400 -0.032 0.000 0.899 164 E CB -0.603 29.172 29.700 0.124 0.000 1.032 164 E HN 0.283 nan 8.360 nan 0.000 0.468 165 D N 0.076 120.015 120.400 -0.768 0.000 2.341 165 D HA 0.072 4.701 4.640 -0.018 0.000 0.245 165 D C -0.484 175.563 176.300 -0.423 0.000 1.106 165 D CA -0.119 53.315 54.000 -0.943 0.000 0.905 165 D CB 0.956 40.895 40.800 -1.434 0.000 1.202 165 D HN -0.120 nan 8.370 nan 0.000 0.426 166 S N 2.395 117.922 115.700 -0.288 0.000 2.411 166 S HA 0.413 4.873 4.470 -0.018 0.000 0.304 166 S C 1.078 175.573 174.600 -0.174 0.000 1.098 166 S CA -0.227 57.880 58.200 -0.155 0.000 1.068 166 S CB 0.241 63.400 63.200 -0.067 0.000 1.032 166 S HN 0.511 nan 8.310 nan 0.000 0.511 167 A N 4.996 127.610 122.820 -0.344 0.000 2.019 167 A HA -0.045 4.264 4.320 -0.018 0.000 0.219 167 A C 1.434 178.825 177.584 -0.322 0.000 1.164 167 A CA 1.003 52.840 52.037 -0.335 0.000 0.644 167 A CB -0.769 17.941 19.000 -0.483 0.000 0.805 167 A HN 0.996 nan 8.150 nan 0.000 0.449 168 W N -0.190 121.021 121.300 -0.148 0.000 2.387 168 W HA -0.016 4.633 4.660 -0.018 0.000 0.272 168 W C 2.363 178.961 176.519 0.132 0.000 1.224 168 W CA 0.775 58.019 57.345 -0.168 0.000 1.210 168 W CB -0.154 29.230 29.460 -0.127 0.000 1.125 168 W HN 0.376 nan 8.180 nan 0.000 0.572 169 A N -0.776 122.187 122.820 0.239 0.000 2.167 169 A HA -0.042 4.267 4.320 -0.018 0.000 0.214 169 A C 0.578 178.024 177.584 -0.230 0.000 1.151 169 A CA 0.753 52.851 52.037 0.101 0.000 0.735 169 A CB -0.532 18.446 19.000 -0.037 0.000 0.802 169 A HN 0.305 nan 8.150 nan 0.000 0.467 170 H N 0.006 119.209 119.070 0.222 0.000 2.355 170 H HA 0.252 4.797 4.556 -0.018 0.000 0.232 170 H C -2.898 172.497 175.328 0.111 0.000 1.422 170 H CA -2.458 53.671 56.048 0.135 0.000 1.261 170 H CB -0.296 29.516 29.762 0.084 0.000 1.595 170 H HN 0.353 nan 8.280 nan 0.000 0.529 171 P HA 0.009 nan 4.420 nan 0.000 0.271 171 P C 0.324 177.492 177.300 -0.220 0.000 1.216 171 P CA -0.263 62.715 63.100 -0.204 0.000 0.776 171 P CB 1.967 33.590 31.700 -0.129 0.000 0.881 172 V N 3.867 123.564 119.914 -0.362 0.000 2.247 172 V HA 0.119 4.228 4.120 -0.018 0.000 0.262 172 V C 0.774 176.722 176.094 -0.242 0.000 1.096 172 V CA -0.252 61.913 62.300 -0.225 0.000 0.895 172 V CB -0.026 31.667 31.823 -0.216 0.000 1.141 172 V HN 0.542 nan 8.190 nan 0.000 0.478 173 D N 2.949 123.205 120.400 -0.239 0.000 2.360 173 D HA 0.352 4.981 4.640 -0.018 0.000 0.242 173 D C 1.318 177.426 176.300 -0.320 0.000 1.184 173 D CA 1.498 55.253 54.000 -0.409 0.000 0.930 173 D CB 1.652 41.985 40.800 -0.778 0.000 1.161 173 D HN 0.724 nan 8.370 nan 0.000 0.447 174 G N 0.453 109.023 108.800 -0.384 0.000 2.162 174 G HA2 -0.220 3.729 3.960 -0.018 0.000 0.260 174 G HA3 -0.220 3.729 3.960 -0.018 0.000 0.260 174 G C -0.114 174.784 174.900 -0.003 0.000 0.976 174 G CA 0.580 45.652 45.100 -0.047 0.000 0.655 174 G HN 0.490 nan 8.290 nan 0.000 0.533 175 L N -0.090 121.105 121.223 -0.047 0.000 2.431 175 L HA 0.929 5.258 4.340 -0.018 0.000 0.266 175 L C -0.730 176.194 176.870 0.091 0.000 0.978 175 L CA -1.093 53.733 54.840 -0.022 0.000 0.822 175 L CB 2.404 44.370 42.059 -0.153 0.000 1.310 175 L HN 0.661 nan 8.230 nan 0.000 0.409 176 V N 3.849 123.849 119.914 0.143 0.000 3.000 176 V HA 0.964 5.073 4.120 -0.018 0.000 0.300 176 V C -1.433 174.689 176.094 0.046 0.000 1.251 176 V CA 0.322 62.741 62.300 0.197 0.000 0.972 176 V CB 2.070 34.039 31.823 0.244 0.000 1.065 176 V HN 1.225 nan 8.190 nan 0.000 0.431 177 A N 4.906 127.740 122.820 0.023 0.000 2.435 177 A HA 0.967 5.277 4.320 -0.018 0.000 0.304 177 A C -2.034 175.479 177.584 -0.117 0.000 1.064 177 A CA -0.468 51.460 52.037 -0.181 0.000 0.727 177 A CB 1.714 20.607 19.000 -0.179 0.000 1.284 177 A HN 0.858 nan 8.150 nan 0.000 0.415 178 Y N 0.196 120.368 120.300 -0.214 0.000 2.377 178 Y HA 0.634 5.173 4.550 -0.018 0.000 0.339 178 Y C -0.062 175.726 175.900 -0.187 0.000 1.011 178 Y CA -1.640 56.311 58.100 -0.247 0.000 1.093 178 Y CB 1.758 40.029 38.460 -0.315 0.000 1.201 178 Y HN 0.379 nan 8.280 nan 0.000 0.455 179 V N 2.645 122.561 119.914 0.003 0.000 2.709 179 V HA 0.252 4.361 4.120 -0.018 0.000 0.308 179 V C -0.778 175.298 176.094 -0.031 0.000 1.062 179 V CA -1.091 61.185 62.300 -0.040 0.000 0.901 179 V CB 2.325 34.103 31.823 -0.076 0.000 1.003 179 V HN 0.676 nan 8.190 nan 0.000 0.425 180 D N 2.974 123.358 120.400 -0.027 0.000 2.411 180 D HA 0.166 4.795 4.640 -0.018 0.000 0.225 180 D C 1.051 177.339 176.300 -0.020 0.000 1.156 180 D CA -0.190 53.799 54.000 -0.019 0.000 0.874 180 D CB 1.886 42.679 40.800 -0.011 0.000 1.034 180 D HN 0.457 nan 8.370 nan 0.000 0.502 181 V N 2.306 122.206 119.914 -0.023 0.000 3.078 181 V HA -0.102 4.007 4.120 -0.018 0.000 0.265 181 V C 1.638 177.734 176.094 0.003 0.000 1.122 181 V CA 0.682 62.968 62.300 -0.023 0.000 1.141 181 V CB -0.375 31.417 31.823 -0.052 0.000 0.735 181 V HN 0.368 nan 8.190 nan 0.000 0.498 182 V N 1.426 121.351 119.914 0.018 0.000 2.492 182 V HA -0.050 4.059 4.120 -0.018 0.000 0.241 182 V C 2.784 178.889 176.094 0.018 0.000 1.041 182 V CA 1.794 64.118 62.300 0.039 0.000 1.057 182 V CB 0.069 31.926 31.823 0.057 0.000 0.711 182 V HN 0.730 nan 8.190 nan 0.000 0.468 183 S N -1.150 114.555 115.700 0.008 0.000 2.562 183 S HA -0.054 4.405 4.470 -0.018 0.000 0.221 183 S C 0.855 175.454 174.600 -0.002 0.000 0.975 183 S CA 0.074 58.275 58.200 0.002 0.000 0.918 183 S CB -0.174 63.026 63.200 -0.001 0.000 0.772 183 S HN 0.457 nan 8.310 nan 0.000 0.531 184 K N 0.996 121.393 120.400 -0.005 0.000 3.162 184 K HA -0.127 4.182 4.320 -0.018 0.000 0.268 184 K C -0.917 175.672 176.600 -0.018 0.000 1.062 184 K CA 0.939 57.219 56.287 -0.012 0.000 0.769 184 K CB -2.413 30.083 32.500 -0.006 0.000 1.274 184 K HN 0.784 nan 8.250 nan 0.000 0.478 185 E N -0.500 119.687 120.200 -0.021 0.000 2.256 185 E HA 0.469 4.808 4.350 -0.018 0.000 0.267 185 E C -0.387 176.192 176.600 -0.035 0.000 0.892 185 E CA -1.134 55.252 56.400 -0.023 0.000 0.775 185 E CB 2.169 31.860 29.700 -0.014 0.000 1.207 185 E HN -0.065 nan 8.360 nan 0.000 0.420 186 V N 2.864 122.753 119.914 -0.042 0.000 2.320 186 V HA 0.019 4.128 4.120 -0.018 0.000 0.265 186 V C 1.320 177.389 176.094 -0.042 0.000 1.048 186 V CA 0.029 62.294 62.300 -0.059 0.000 0.865 186 V CB 0.411 32.190 31.823 -0.074 0.000 1.043 186 V HN 0.952 nan 8.190 nan 0.000 0.474 187 T N 2.765 117.301 114.554 -0.031 0.000 2.777 187 T HA 0.058 4.398 4.350 -0.018 0.000 0.266 187 T C 0.821 175.489 174.700 -0.053 0.000 1.040 187 T CA 0.716 62.803 62.100 -0.020 0.000 1.141 187 T CB 0.192 69.065 68.868 0.008 0.000 0.868 187 T HN 0.544 nan 8.240 nan 0.000 0.444 188 R N -0.490 119.938 120.500 -0.120 0.000 2.668 188 R HA 0.673 5.002 4.340 -0.018 0.000 0.272 188 R C -2.106 174.006 176.300 -0.313 0.000 1.019 188 R CA -0.782 55.175 56.100 -0.239 0.000 0.894 188 R CB 2.848 32.913 30.300 -0.390 0.000 1.228 188 R HN 0.039 nan 8.270 nan 0.000 0.460 189 V N 4.007 123.795 119.914 -0.211 0.000 2.447 189 V HA 0.435 4.544 4.120 -0.018 0.000 0.292 189 V C -0.399 175.619 176.094 -0.126 0.000 1.021 189 V CA -0.556 61.679 62.300 -0.109 0.000 0.850 189 V CB 1.674 33.525 31.823 0.046 0.000 1.005 189 V HN 0.578 nan 8.190 nan 0.000 0.426 190 I N 4.100 124.569 120.570 -0.169 0.000 2.354 190 I HA 0.480 4.639 4.170 -0.018 0.000 0.292 190 I C -0.672 175.426 176.117 -0.033 0.000 0.989 190 I CA -0.146 61.089 61.300 -0.109 0.000 1.188 190 I CB 1.672 39.584 38.000 -0.146 0.000 1.342 190 I HN 0.494 nan 8.210 nan 0.000 0.457 191 D N 4.599 124.990 120.400 -0.016 0.000 2.469 191 D HA 0.162 4.792 4.640 -0.018 0.000 0.251 191 D C 0.697 177.012 176.300 0.026 0.000 1.173 191 D CA -0.336 53.662 54.000 -0.003 0.000 0.882 191 D CB 1.604 42.388 40.800 -0.027 0.000 1.129 191 D HN 0.628 nan 8.370 nan 0.000 0.549 192 T N 0.378 114.971 114.554 0.065 0.000 3.107 192 T HA 0.499 4.838 4.350 -0.018 0.000 0.249 192 T C 0.873 175.642 174.700 0.116 0.000 1.096 192 T CA 0.239 62.395 62.100 0.093 0.000 1.012 192 T CB 0.187 69.130 68.868 0.126 0.000 0.977 192 T HN 0.578 nan 8.240 nan 0.000 0.527 193 G N 0.212 109.077 108.800 0.108 0.000 2.316 193 G HA2 0.268 4.217 3.960 -0.018 0.000 0.468 193 G HA3 0.268 4.217 3.960 -0.018 0.000 0.468 193 G C -1.250 173.716 174.900 0.110 0.000 1.523 193 G CA -0.789 44.344 45.100 0.055 0.000 0.972 193 G HN 0.304 nan 8.290 nan 0.000 0.667 194 V N 1.298 121.206 119.914 -0.011 0.000 2.508 194 V HA 0.553 4.662 4.120 -0.018 0.000 0.281 194 V C -0.084 175.981 176.094 -0.047 0.000 1.041 194 V CA 0.160 62.468 62.300 0.013 0.000 1.016 194 V CB 0.451 32.249 31.823 -0.042 0.000 0.984 194 V HN 0.507 nan 8.190 nan 0.000 0.478 195 F N 5.238 125.153 119.950 -0.060 0.000 2.480 195 F HA 0.574 5.091 4.527 -0.018 0.000 0.329 195 F C -1.849 173.926 175.800 -0.042 0.000 1.091 195 F CA -2.602 55.369 58.000 -0.048 0.000 0.972 195 F CB 1.457 40.427 39.000 -0.050 0.000 1.150 195 F HN 0.338 nan 8.300 nan 0.000 0.467 196 P HA 0.130 nan 4.420 nan 0.000 0.268 196 P C -0.933 176.426 177.300 0.099 0.000 1.205 196 P CA -0.182 62.963 63.100 0.076 0.000 0.771 196 P CB 0.581 32.314 31.700 0.055 0.000 0.858 197 V N 6.204 126.156 119.914 0.064 0.000 2.432 197 V HA 0.178 4.287 4.120 -0.018 0.000 0.271 197 V C -1.879 174.279 176.094 0.108 0.000 1.046 197 V CA -1.582 60.760 62.300 0.070 0.000 0.945 197 V CB 0.544 32.388 31.823 0.036 0.000 0.992 197 V HN 0.582 nan 8.190 nan 0.000 0.471 198 P HA 0.003 nan 4.420 nan 0.000 0.260 198 P C 0.477 177.940 177.300 0.271 0.000 1.172 198 P CA 0.438 63.630 63.100 0.154 0.000 0.760 198 P CB 0.740 32.499 31.700 0.099 0.000 0.773 199 A N 3.757 126.695 122.820 0.196 0.000 1.903 199 A HA -0.043 4.267 4.320 -0.018 0.000 0.213 199 A C 0.860 178.631 177.584 0.312 0.000 1.185 199 A CA 0.631 52.791 52.037 0.205 0.000 0.628 199 A CB -0.555 18.514 19.000 0.115 0.000 0.830 199 A HN 0.561 nan 8.150 nan 0.000 0.446 200 E N 0.467 120.807 120.200 0.233 0.000 2.437 200 E HA 0.185 4.524 4.350 -0.018 0.000 0.263 200 E C -0.214 176.560 176.600 0.289 0.000 1.030 200 E CA 0.141 56.659 56.400 0.196 0.000 0.934 200 E CB 0.275 30.043 29.700 0.113 0.000 0.943 200 E HN 0.772 nan 8.360 nan 0.000 0.444 201 H N -0.602 118.637 119.070 0.281 0.000 2.495 201 H HA 0.500 5.045 4.556 -0.018 0.000 0.350 201 H C 0.447 175.869 175.328 0.155 0.000 1.202 201 H CA -0.860 55.317 56.048 0.215 0.000 1.322 201 H CB 1.179 31.087 29.762 0.243 0.000 1.544 201 H HN 0.472 nan 8.280 nan 0.000 0.565 202 G N 0.938 109.884 108.800 0.244 0.000 4.637 202 G HA2 0.083 4.033 3.960 -0.018 0.000 0.294 202 G HA3 0.083 4.033 3.960 -0.018 0.000 0.294 202 G C -0.778 174.088 174.900 -0.056 0.000 1.215 202 G CA -0.706 44.382 45.100 -0.021 0.000 0.943 202 G HN 0.758 nan 8.290 nan 0.000 0.572 203 N N 1.388 120.208 118.700 0.201 0.000 2.508 203 N HA 0.164 4.893 4.740 -0.018 0.000 0.253 203 N C 0.726 176.157 175.510 -0.132 0.000 1.145 203 N CA -0.587 52.370 53.050 -0.156 0.000 0.973 203 N CB 0.335 38.735 38.487 -0.145 0.000 1.305 203 N HN 0.537 nan 8.380 nan 0.000 0.506 204 Y N -0.008 120.275 120.300 -0.029 0.000 2.680 204 Y HA -0.028 4.511 4.550 -0.018 0.000 0.303 204 Y C 1.744 177.635 175.900 -0.015 0.000 1.166 204 Y CA 0.157 58.228 58.100 -0.048 0.000 1.344 204 Y CB -0.742 37.651 38.460 -0.111 0.000 1.002 204 Y HN 0.312 nan 8.280 nan 0.000 0.537 205 T N -4.247 110.286 114.554 -0.034 0.000 3.044 205 T HA 0.056 4.395 4.350 -0.018 0.000 0.260 205 T C 0.141 174.844 174.700 0.004 0.000 1.019 205 T CA -0.271 61.842 62.100 0.020 0.000 0.921 205 T CB -0.098 68.766 68.868 -0.008 0.000 1.053 205 T HN 0.245 nan 8.240 nan 0.000 0.533 206 D N 2.761 123.159 120.400 -0.002 0.000 2.339 206 D HA 0.214 4.843 4.640 -0.018 0.000 0.256 206 D C -1.647 174.680 176.300 0.045 0.000 1.214 206 D CA -2.162 51.841 54.000 0.004 0.000 0.877 206 D CB 1.949 42.731 40.800 -0.029 0.000 1.111 206 D HN -0.019 nan 8.370 nan 0.000 0.478 207 P HA -0.197 nan 4.420 nan 0.000 0.217 207 P C 1.005 178.336 177.300 0.051 0.000 1.151 207 P CA 1.416 64.536 63.100 0.034 0.000 0.849 207 P CB 0.100 31.811 31.700 0.018 0.000 0.787 208 E N -1.174 119.066 120.200 0.066 0.000 2.338 208 E HA -0.148 4.191 4.350 -0.018 0.000 0.197 208 E C 1.701 178.366 176.600 0.109 0.000 1.007 208 E CA 0.730 57.183 56.400 0.087 0.000 0.849 208 E CB -0.758 29.008 29.700 0.110 0.000 0.774 208 E HN 0.173 nan 8.360 nan 0.000 0.506 209 L N 1.100 122.403 121.223 0.133 0.000 2.388 209 L HA 0.086 4.415 4.340 -0.018 0.000 0.209 209 L C 2.308 179.223 176.870 0.075 0.000 1.061 209 L CA 1.769 56.678 54.840 0.116 0.000 0.834 209 L CB -0.025 42.145 42.059 0.186 0.000 1.029 209 L HN 0.329 nan 8.230 nan 0.000 0.473 210 T N -2.888 111.709 114.554 0.072 0.000 3.014 210 T HA 0.402 4.742 4.350 -0.018 0.000 0.263 210 T C 1.182 175.907 174.700 0.041 0.000 1.078 210 T CA 0.478 62.610 62.100 0.053 0.000 1.135 210 T CB -0.584 68.316 68.868 0.053 0.000 0.895 210 T HN 0.656 nan 8.240 nan 0.000 0.480 211 G N 2.459 111.284 108.800 0.042 0.000 2.750 211 G HA2 -0.080 3.869 3.960 -0.018 0.000 0.228 211 G HA3 -0.080 3.869 3.960 -0.018 0.000 0.228 211 G C -2.717 172.199 174.900 0.026 0.000 1.367 211 G CA -0.530 44.589 45.100 0.033 0.000 0.871 211 G HN 0.578 nan 8.290 nan 0.000 0.560 212 P HA 0.325 nan 4.420 nan 0.000 0.267 212 P C 0.484 177.794 177.300 0.016 0.000 1.205 212 P CA -0.062 63.048 63.100 0.017 0.000 0.765 212 P CB 0.463 32.172 31.700 0.014 0.000 0.828 213 L N 3.778 125.010 121.223 0.015 0.000 2.453 213 L HA 0.146 4.475 4.340 -0.018 0.000 0.272 213 L C 1.719 178.596 176.870 0.011 0.000 1.182 213 L CA -0.366 54.482 54.840 0.014 0.000 0.858 213 L CB -0.016 42.051 42.059 0.014 0.000 1.120 213 L HN 0.457 nan 8.230 nan 0.000 0.474 214 R N 0.774 121.280 120.500 0.009 0.000 2.643 214 R HA 0.133 4.462 4.340 -0.018 0.000 0.270 214 R C 0.317 176.620 176.300 0.005 0.000 1.061 214 R CA 0.082 56.186 56.100 0.007 0.000 1.107 214 R CB 0.102 30.405 30.300 0.005 0.000 0.999 214 R HN 0.722 nan 8.270 nan 0.000 0.460 215 T N -3.037 111.520 114.554 0.005 0.000 3.200 215 T HA 0.035 4.374 4.350 -0.018 0.000 0.284 215 T C 1.062 175.764 174.700 0.002 0.000 1.009 215 T CA 0.003 62.105 62.100 0.004 0.000 0.907 215 T CB 0.304 69.174 68.868 0.004 0.000 1.120 215 T HN 0.756 nan 8.240 nan 0.000 0.534 216 T N -0.869 113.686 114.554 0.002 0.000 3.081 216 T HA 0.157 4.496 4.350 -0.018 0.000 0.255 216 T C 0.720 175.420 174.700 -0.001 0.000 1.113 216 T CA -0.120 61.981 62.100 0.000 0.000 1.082 216 T CB -0.309 68.559 68.868 0.000 0.000 0.939 216 T HN 0.435 nan 8.240 nan 0.000 0.506 217 Q N 1.927 121.727 119.800 -0.000 0.000 2.344 217 Q HA 0.337 4.666 4.340 -0.018 0.000 0.253 217 Q C -0.718 175.282 176.000 -0.001 0.000 1.050 217 Q CA -0.290 55.512 55.803 -0.001 0.000 0.912 217 Q CB 0.754 29.491 28.738 -0.001 0.000 1.258 217 Q HN 0.151 nan 8.270 nan 0.000 0.443 218 K N 3.504 123.903 120.400 -0.001 0.000 2.154 218 K HA 0.270 4.579 4.320 -0.018 0.000 0.264 218 K C -2.028 174.572 176.600 -0.000 0.000 1.008 218 K CA -1.414 54.873 56.287 -0.001 0.000 0.937 218 K CB 0.139 32.638 32.500 -0.002 0.000 1.002 218 K HN 0.403 nan 8.250 nan 0.000 0.469 219 P HA 0.187 nan 4.420 nan 0.000 0.272 219 P C -0.722 176.579 177.300 0.002 0.000 1.223 219 P CA -0.027 63.074 63.100 0.002 0.000 0.784 219 P CB 0.624 32.325 31.700 0.003 0.000 0.923 220 I N 1.056 121.628 120.570 0.003 0.000 2.411 220 I HA 0.130 4.289 4.170 -0.018 0.000 0.284 220 I C 0.324 176.445 176.117 0.007 0.000 1.012 220 I CA -0.560 60.743 61.300 0.004 0.000 1.119 220 I CB 1.747 39.749 38.000 0.004 0.000 1.261 220 I HN 0.284 nan 8.210 nan 0.000 0.448 221 S N 7.791 123.496 115.700 0.008 0.000 2.422 221 S HA 0.605 5.064 4.470 -0.018 0.000 0.298 221 S C -0.516 174.092 174.600 0.014 0.000 1.118 221 S CA -0.427 57.779 58.200 0.010 0.000 1.083 221 S CB 0.163 63.369 63.200 0.009 0.000 0.971 221 S HN 0.438 nan 8.310 nan 0.000 0.478 222 I N 5.452 126.031 120.570 0.016 0.000 2.382 222 I HA 0.386 4.546 4.170 -0.018 0.000 0.285 222 I C 0.178 176.309 176.117 0.023 0.000 1.007 222 I CA -0.374 60.941 61.300 0.024 0.000 1.142 222 I CB 1.745 39.763 38.000 0.029 0.000 1.289 222 I HN 0.673 nan 8.210 nan 0.000 0.453 223 T N 1.767 116.337 114.554 0.027 0.000 2.841 223 T HA 0.508 4.847 4.350 -0.018 0.000 0.296 223 T C -0.836 173.882 174.700 0.030 0.000 1.166 223 T CA -0.931 61.184 62.100 0.024 0.000 1.007 223 T CB 2.219 71.097 68.868 0.017 0.000 1.253 223 T HN 0.489 nan 8.240 nan 0.000 0.511 224 Q N 0.964 120.779 119.800 0.024 0.000 2.616 224 Q HA 0.275 4.604 4.340 -0.018 0.000 0.250 224 Q C -2.204 173.802 176.000 0.010 0.000 0.991 224 Q CA -1.950 53.867 55.803 0.023 0.000 0.707 224 Q CB 1.842 30.594 28.738 0.023 0.000 1.247 224 Q HN 0.485 nan 8.270 nan 0.000 0.491 225 P HA -0.230 nan 4.420 nan 0.000 0.216 225 P C 0.181 177.482 177.300 0.001 0.000 1.154 225 P CA 1.512 64.616 63.100 0.007 0.000 0.865 225 P CB 0.348 32.053 31.700 0.009 0.000 0.789 226 E N -1.090 119.110 120.200 -0.000 0.000 2.465 226 E HA 0.361 4.701 4.350 -0.018 0.000 0.195 226 E C 0.813 177.400 176.600 -0.021 0.000 1.028 226 E CA 0.035 56.431 56.400 -0.007 0.000 0.899 226 E CB 0.033 29.732 29.700 -0.003 0.000 1.032 226 E HN 0.157 nan 8.360 nan 0.000 0.468 227 G N 2.925 111.709 108.800 -0.027 0.000 2.756 227 G HA2 -0.185 3.764 3.960 -0.018 0.000 0.678 227 G HA3 -0.185 3.764 3.960 -0.018 0.000 0.678 227 G C -2.732 172.114 174.900 -0.088 0.000 1.349 227 G CA -0.921 44.143 45.100 -0.061 0.000 0.847 227 G HN 0.001 nan 8.290 nan 0.000 0.548 228 P HA 0.346 nan 4.420 nan 0.000 0.274 228 P C 0.614 177.780 177.300 -0.223 0.000 1.246 228 P CA 0.091 63.018 63.100 -0.289 0.000 0.795 228 P CB 1.203 32.425 31.700 -0.798 0.000 1.006 229 S N -0.022 115.674 115.700 -0.007 0.000 2.558 229 S HA 0.111 4.570 4.470 -0.018 0.000 0.217 229 S C 0.694 175.453 174.600 0.266 0.000 0.975 229 S CA 0.125 58.411 58.200 0.143 0.000 0.912 229 S CB -0.757 62.602 63.200 0.266 0.000 0.776 229 S HN 0.562 nan 8.310 nan 0.000 0.526 230 F N 1.943 122.088 119.950 0.325 0.000 2.440 230 F HA 0.758 5.274 4.527 -0.018 0.000 0.328 230 F C 0.133 176.024 175.800 0.152 0.000 1.070 230 F CA -1.187 56.992 58.000 0.298 0.000 1.011 230 F CB 0.310 39.453 39.000 0.237 0.000 1.226 230 F HN -0.140 nan 8.300 nan 0.000 0.491 231 T N -0.313 114.467 114.554 0.377 0.000 2.885 231 T HA 0.754 5.093 4.350 -0.018 0.000 0.285 231 T C -1.170 173.711 174.700 0.301 0.000 1.019 231 T CA -0.815 61.431 62.100 0.243 0.000 1.010 231 T CB 1.531 70.497 68.868 0.164 0.000 1.022 231 T HN 0.687 nan 8.240 nan 0.000 0.466 232 V N 3.214 123.272 119.914 0.240 0.000 2.407 232 V HA 0.687 4.796 4.120 -0.018 0.000 0.291 232 V C 0.274 176.467 176.094 0.165 0.000 1.018 232 V CA -0.644 61.779 62.300 0.205 0.000 0.842 232 V CB 1.304 33.249 31.823 0.204 0.000 0.996 232 V HN 1.303 nan 8.190 nan 0.000 0.426 233 T N 0.155 114.820 114.554 0.186 0.000 2.916 233 T HA 0.689 5.028 4.350 -0.018 0.000 0.292 233 T C 0.828 175.614 174.700 0.144 0.000 1.055 233 T CA -0.061 62.129 62.100 0.149 0.000 1.009 233 T CB 1.800 70.753 68.868 0.141 0.000 1.118 233 T HN 1.724 nan 8.240 nan 0.000 0.497 234 G N -0.117 108.739 108.800 0.093 0.000 2.203 234 G HA2 0.106 4.055 3.960 -0.018 0.000 0.263 234 G HA3 0.106 4.055 3.960 -0.018 0.000 0.263 234 G C 1.323 176.275 174.900 0.087 0.000 1.012 234 G CA 0.966 46.113 45.100 0.079 0.000 0.749 234 G HN 2.416 nan 8.290 nan 0.000 0.512 235 G N -0.166 108.687 108.800 0.088 0.000 2.396 235 G HA2 -0.263 3.686 3.960 -0.018 0.000 0.242 235 G HA3 -0.263 3.686 3.960 -0.018 0.000 0.242 235 G C 0.836 175.786 174.900 0.083 0.000 1.069 235 G CA 1.330 46.477 45.100 0.078 0.000 0.633 235 G HN 2.241 nan 8.290 nan 0.000 0.517 236 N N -0.633 118.128 118.700 0.102 0.000 2.193 236 N HA 0.088 4.817 4.740 -0.018 0.000 0.236 236 N C -0.393 175.177 175.510 0.099 0.000 1.347 236 N CA 0.108 53.209 53.050 0.084 0.000 0.812 236 N CB -0.429 38.100 38.487 0.071 0.000 1.297 236 N HN 0.565 nan 8.380 nan 0.000 0.499 237 H N 1.678 120.780 119.070 0.053 0.000 2.594 237 H HA 0.326 4.871 4.556 -0.018 0.000 0.304 237 H C -0.741 174.628 175.328 0.068 0.000 1.068 237 H CA -0.275 55.805 56.048 0.053 0.000 1.308 237 H CB 0.965 30.763 29.762 0.061 0.000 1.409 237 H HN -0.019 nan 8.280 nan 0.000 0.460 238 I N 4.686 125.024 120.570 -0.387 0.000 2.392 238 I HA 0.223 4.382 4.170 -0.018 0.000 0.295 238 I C 0.203 176.207 176.117 -0.189 0.000 0.985 238 I CA -0.494 60.692 61.300 -0.190 0.000 1.221 238 I CB 1.532 39.426 38.000 -0.176 0.000 1.366 238 I HN 0.587 nan 8.210 nan 0.000 0.467 239 E N 5.387 125.635 120.200 0.080 0.000 2.241 239 E HA 0.320 4.659 4.350 -0.018 0.000 0.263 239 E C -1.776 175.022 176.600 0.329 0.000 0.882 239 E CA -0.539 55.959 56.400 0.164 0.000 0.769 239 E CB 2.791 32.596 29.700 0.175 0.000 1.185 239 E HN 0.597 nan 8.360 nan 0.000 0.415 240 W N 3.816 125.187 121.300 0.119 0.000 3.326 240 W HA 0.142 4.792 4.660 -0.017 0.000 0.333 240 W C -0.578 176.045 176.519 0.174 0.000 1.108 240 W CA -0.377 57.065 57.345 0.162 0.000 1.245 240 W CB 0.905 30.460 29.460 0.158 0.000 1.331 240 W HN 0.341 nan 8.180 nan 0.000 0.464 241 E N 5.842 125.693 120.200 -0.583 0.000 2.183 241 E HA -0.320 4.019 4.350 -0.018 0.000 0.196 241 E C 0.590 176.884 176.600 -0.509 0.000 1.364 241 E CA 1.866 57.849 56.400 -0.694 0.000 0.700 241 E CB -0.993 27.897 29.700 -1.349 0.000 1.106 241 E HN 0.909 nan 8.360 nan 0.000 0.347 242 K N -3.666 116.472 120.400 -0.437 0.000 3.615 242 K HA -0.244 4.065 4.320 -0.018 0.000 0.269 242 K C 0.175 176.353 176.600 -0.703 0.000 1.107 242 K CA 1.778 57.641 56.287 -0.707 0.000 1.059 242 K CB -1.329 30.399 32.500 -1.287 0.000 1.317 242 K HN 0.261 nan 8.250 nan 0.000 0.494 243 W N 1.759 122.862 121.300 -0.329 0.000 2.237 243 W HA 0.427 5.076 4.660 -0.017 0.000 0.335 243 W C 0.663 177.168 176.519 -0.024 0.000 1.230 243 W CA -0.010 57.292 57.345 -0.071 0.000 1.253 243 W CB 1.350 30.914 29.460 0.173 0.000 1.129 243 W HN 0.001 nan 8.180 nan 0.000 0.590 244 S N 3.961 119.825 115.700 0.273 0.000 2.548 244 S HA 0.836 5.295 4.470 -0.018 0.000 0.276 244 S C -1.151 173.476 174.600 0.046 0.000 1.129 244 S CA -0.740 57.520 58.200 0.099 0.000 0.931 244 S CB 0.174 63.450 63.200 0.126 0.000 1.068 244 S HN 0.589 nan 8.310 nan 0.000 0.480 245 L N 1.010 122.134 121.223 -0.164 0.000 3.020 245 L HA 0.740 5.069 4.340 -0.018 0.000 0.273 245 L C -2.112 174.621 176.870 -0.228 0.000 1.018 245 L CA -1.051 53.701 54.840 -0.148 0.000 0.950 245 L CB 1.611 43.599 42.059 -0.118 0.000 1.510 245 L HN 0.405 nan 8.230 nan 0.000 0.404 246 D N 1.401 121.735 120.400 -0.111 0.000 2.375 246 D HA 0.488 5.117 4.640 -0.018 0.000 0.247 246 D C -0.808 175.487 176.300 -0.009 0.000 1.061 246 D CA -0.271 53.715 54.000 -0.024 0.000 0.834 246 D CB 3.232 44.051 40.800 0.032 0.000 1.247 246 D HN 0.371 nan 8.370 nan 0.000 0.489 247 V N 2.176 122.084 119.914 -0.009 0.000 2.368 247 V HA 0.487 4.596 4.120 -0.018 0.000 0.266 247 V C 0.954 177.093 176.094 0.075 0.000 1.045 247 V CA -0.363 61.932 62.300 -0.009 0.000 0.899 247 V CB 1.102 32.898 31.823 -0.045 0.000 1.006 247 V HN 0.595 nan 8.190 nan 0.000 0.470 248 G N 3.207 112.091 108.800 0.141 0.000 2.521 248 G HA2 0.724 4.674 3.960 -0.018 0.000 0.323 248 G HA3 0.724 4.674 3.960 -0.018 0.000 0.323 248 G C -1.567 173.433 174.900 0.167 0.000 1.211 248 G CA -0.478 44.732 45.100 0.183 0.000 0.979 248 G HN 0.476 nan 8.290 nan 0.000 0.490 249 F N -0.111 119.820 119.950 -0.032 0.000 2.588 249 F HA 0.513 5.029 4.527 -0.018 0.000 0.314 249 F C -1.532 174.222 175.800 -0.076 0.000 1.134 249 F CA -0.924 57.011 58.000 -0.107 0.000 0.961 249 F CB 2.605 41.526 39.000 -0.131 0.000 1.239 249 F HN 0.537 nan 8.300 nan 0.000 0.448 250 D N 3.751 123.749 120.400 -0.671 0.000 2.780 250 D HA 0.308 4.937 4.640 -0.018 0.000 0.242 250 D C 0.132 176.080 176.300 -0.585 0.000 1.135 250 D CA -0.568 53.202 54.000 -0.384 0.000 0.859 250 D CB 2.423 43.124 40.800 -0.165 0.000 1.530 250 D HN 0.376 nan 8.370 nan 0.000 0.493 251 V N 4.325 124.085 119.914 -0.257 0.000 2.568 251 V HA -0.141 3.969 4.120 -0.018 0.000 0.253 251 V C 2.033 178.065 176.094 -0.103 0.000 1.072 251 V CA 2.250 64.449 62.300 -0.168 0.000 1.084 251 V CB -0.395 31.384 31.823 -0.074 0.000 0.676 251 V HN 0.636 nan 8.190 nan 0.000 0.469 252 R N -0.420 120.076 120.500 -0.006 0.000 2.052 252 R HA -0.037 4.292 4.340 -0.018 0.000 0.224 252 R C 2.228 178.464 176.300 -0.107 0.000 1.149 252 R CA 1.628 57.707 56.100 -0.034 0.000 0.962 252 R CB -0.242 29.980 30.300 -0.130 0.000 0.856 252 R HN 0.573 nan 8.270 nan 0.000 0.433 253 E N -0.468 119.647 120.200 -0.141 0.000 2.299 253 E HA 0.121 4.461 4.350 -0.018 0.000 0.193 253 E C 0.724 177.149 176.600 -0.290 0.000 0.998 253 E CA 0.389 56.713 56.400 -0.127 0.000 0.851 253 E CB 0.487 30.161 29.700 -0.043 0.000 0.795 253 E HN 0.581 nan 8.360 nan 0.000 0.492 254 G N 0.754 109.157 108.800 -0.661 0.000 2.488 254 G HA2 -0.290 3.659 3.960 -0.018 0.000 0.237 254 G HA3 -0.290 3.659 3.960 -0.018 0.000 0.237 254 G C -0.131 174.138 174.900 -1.052 0.000 1.209 254 G CA -0.366 43.989 45.100 -1.242 0.000 0.929 254 G HN 0.097 nan 8.290 nan 0.000 0.578 255 V N 0.644 120.099 119.914 -0.764 0.000 2.585 255 V HA 0.417 4.526 4.120 -0.018 0.000 0.296 255 V C 0.749 176.797 176.094 -0.077 0.000 1.035 255 V CA 0.244 62.461 62.300 -0.138 0.000 1.084 255 V CB 0.968 32.897 31.823 0.177 0.000 0.953 255 V HN 0.924 nan 8.190 nan 0.000 0.483 256 V N 6.707 126.537 119.914 -0.142 0.000 2.588 256 V HA 0.459 4.568 4.120 -0.018 0.000 0.304 256 V C -0.240 175.633 176.094 -0.369 0.000 1.042 256 V CA -0.619 61.520 62.300 -0.269 0.000 0.877 256 V CB 1.912 33.597 31.823 -0.229 0.000 0.996 256 V HN 0.616 nan 8.190 nan 0.000 0.425 257 L N 5.032 125.888 121.223 -0.612 0.000 2.289 257 L HA 0.624 4.953 4.340 -0.018 0.000 0.285 257 L C -0.298 176.240 176.870 -0.552 0.000 1.049 257 L CA -0.515 53.998 54.840 -0.545 0.000 0.804 257 L CB 0.908 42.529 42.059 -0.729 0.000 1.195 257 L HN 0.610 nan 8.230 nan 0.000 0.428 258 H N 3.511 122.417 119.070 -0.272 0.000 2.569 258 H HA 0.266 4.811 4.556 -0.018 0.000 0.357 258 H C -0.215 174.917 175.328 -0.325 0.000 1.153 258 H CA -0.738 55.134 56.048 -0.294 0.000 1.193 258 H CB 1.926 31.494 29.762 -0.323 0.000 1.602 258 H HN 0.584 nan 8.280 nan 0.000 0.523 259 N N 1.432 120.002 118.700 -0.217 0.000 2.705 259 N HA -0.201 4.529 4.740 -0.018 0.000 0.255 259 N C -0.288 175.159 175.510 -0.104 0.000 1.008 259 N CA 0.515 53.439 53.050 -0.209 0.000 0.742 259 N CB -1.245 37.049 38.487 -0.322 0.000 0.906 259 N HN 0.540 nan 8.380 nan 0.000 0.541 260 I N 0.515 121.034 120.570 -0.085 0.000 2.517 260 I HA 0.228 4.388 4.170 -0.018 0.000 0.285 260 I C 1.022 177.198 176.117 0.098 0.000 1.106 260 I CA 0.205 61.523 61.300 0.030 0.000 1.402 260 I CB 0.484 38.488 38.000 0.007 0.000 1.399 260 I HN 0.316 nan 8.210 nan 0.000 0.535 261 A N 7.013 129.951 122.820 0.196 0.000 2.566 261 A HA 0.809 5.118 4.320 -0.018 0.000 0.292 261 A C -1.572 176.145 177.584 0.221 0.000 1.112 261 A CA -0.446 51.690 52.037 0.165 0.000 0.707 261 A CB 1.678 20.733 19.000 0.093 0.000 1.302 261 A HN 0.526 nan 8.150 nan 0.000 0.409 262 F N 0.380 120.316 119.950 -0.023 0.000 2.539 262 F HA 0.632 5.148 4.527 -0.018 0.000 0.318 262 F C 0.176 175.979 175.800 0.005 0.000 1.135 262 F CA -0.502 57.414 58.000 -0.140 0.000 0.915 262 F CB 1.796 40.642 39.000 -0.257 0.000 1.176 262 F HN 0.658 nan 8.300 nan 0.000 0.440 263 R N 4.088 124.485 120.500 -0.170 0.000 2.288 263 R HA 0.221 4.550 4.340 -0.018 0.000 0.330 263 R C -1.453 174.939 176.300 0.154 0.000 1.069 263 R CA 0.103 56.189 56.100 -0.023 0.000 0.941 263 R CB 0.103 30.325 30.300 -0.130 0.000 0.998 263 R HN 0.573 nan 8.270 nan 0.000 0.452 264 D N 4.084 124.630 120.400 0.244 0.000 2.454 264 D HA 0.372 5.002 4.640 -0.018 0.000 0.247 264 D C 0.594 176.973 176.300 0.132 0.000 1.129 264 D CA 0.846 55.015 54.000 0.280 0.000 0.877 264 D CB 1.198 42.206 40.800 0.346 0.000 1.082 264 D HN 0.746 nan 8.370 nan 0.000 0.537 265 G N 4.585 113.440 108.800 0.093 0.000 2.561 265 G HA2 -0.312 3.637 3.960 -0.018 0.000 0.289 265 G HA3 -0.312 3.637 3.960 -0.018 0.000 0.289 265 G C 0.661 175.581 174.900 0.033 0.000 1.169 265 G CA 0.458 45.588 45.100 0.051 0.000 0.980 265 G HN 0.608 nan 8.290 nan 0.000 0.550 266 D N 1.530 121.945 120.400 0.025 0.000 2.328 266 D HA 0.090 4.720 4.640 -0.018 0.000 0.221 266 D C 1.089 177.400 176.300 0.018 0.000 1.072 266 D CA 0.825 54.835 54.000 0.017 0.000 0.850 266 D CB 0.001 40.808 40.800 0.010 0.000 0.922 266 D HN 0.962 nan 8.370 nan 0.000 0.516 267 R N -0.485 120.031 120.500 0.028 0.000 2.744 267 R HA 0.549 4.878 4.340 -0.018 0.000 0.279 267 R C -1.341 174.988 176.300 0.048 0.000 0.977 267 R CA -1.109 55.008 56.100 0.027 0.000 0.906 267 R CB 1.358 31.665 30.300 0.012 0.000 1.197 267 R HN -0.078 nan 8.270 nan 0.000 0.463 268 L N 2.663 123.912 121.223 0.043 0.000 2.261 268 L HA 0.384 4.713 4.340 -0.018 0.000 0.289 268 L C -0.560 176.351 176.870 0.069 0.000 1.059 268 L CA -0.269 54.608 54.840 0.061 0.000 0.816 268 L CB 0.636 42.724 42.059 0.048 0.000 1.191 268 L HN 0.596 nan 8.230 nan 0.000 0.431 269 R N 7.204 127.781 120.500 0.128 0.000 2.207 269 R HA 0.418 4.747 4.340 -0.018 0.000 0.334 269 R C -2.310 174.088 176.300 0.165 0.000 1.013 269 R CA -1.749 54.437 56.100 0.143 0.000 0.858 269 R CB 0.658 31.072 30.300 0.190 0.000 1.094 269 R HN 0.495 nan 8.270 nan 0.000 0.457 270 P HA 0.060 nan 4.420 nan 0.000 0.272 270 P C -0.105 177.188 177.300 -0.013 0.000 1.223 270 P CA 0.122 63.215 63.100 -0.012 0.000 0.784 270 P CB 1.245 32.866 31.700 -0.133 0.000 0.923 271 I N 0.738 121.241 120.570 -0.112 0.000 3.746 271 I HA 0.247 4.406 4.170 -0.018 0.000 0.262 271 I C 0.709 176.690 176.117 -0.227 0.000 1.153 271 I CA 0.210 61.345 61.300 -0.276 0.000 1.395 271 I CB 0.388 38.102 38.000 -0.477 0.000 1.589 271 I HN 0.138 nan 8.210 nan 0.000 0.441 272 I N 1.463 121.933 120.570 -0.167 0.000 2.478 272 I HA 0.172 4.332 4.170 -0.018 0.000 0.287 272 I C 0.618 176.653 176.117 -0.136 0.000 1.042 272 I CA -0.245 60.971 61.300 -0.140 0.000 1.067 272 I CB 2.123 40.043 38.000 -0.133 0.000 1.233 272 I HN 0.120 nan 8.210 nan 0.000 0.431 273 N N 5.331 123.969 118.700 -0.103 0.000 2.171 273 N HA 0.010 4.739 4.740 -0.018 0.000 0.184 273 N C 0.537 175.975 175.510 -0.120 0.000 1.021 273 N CA 0.987 53.993 53.050 -0.074 0.000 0.854 273 N CB 0.550 39.099 38.487 0.104 0.000 0.994 273 N HN 0.548 nan 8.380 nan 0.000 0.426 274 R N -0.082 120.319 120.500 -0.165 0.000 2.515 274 R HA 0.464 4.794 4.340 -0.018 0.000 0.278 274 R C -2.081 174.034 176.300 -0.308 0.000 1.107 274 R CA -0.496 55.425 56.100 -0.299 0.000 0.945 274 R CB 1.783 31.938 30.300 -0.242 0.000 1.219 274 R HN 0.043 nan 8.270 nan 0.000 0.434 275 A N 2.460 125.026 122.820 -0.423 0.000 2.330 275 A HA 0.726 5.035 4.320 -0.018 0.000 0.313 275 A C -0.980 176.369 177.584 -0.391 0.000 1.124 275 A CA -0.417 51.385 52.037 -0.391 0.000 0.774 275 A CB 1.497 20.146 19.000 -0.585 0.000 1.198 275 A HN 0.821 nan 8.150 nan 0.000 0.465 276 S N 1.376 117.025 115.700 -0.085 0.000 2.615 276 S HA 0.696 5.155 4.470 -0.018 0.000 0.269 276 S C -1.167 173.553 174.600 0.200 0.000 1.161 276 S CA -0.706 57.535 58.200 0.068 0.000 0.817 276 S CB 0.961 64.127 63.200 -0.058 0.000 1.131 276 S HN 0.529 nan 8.310 nan 0.000 0.467 277 I N 2.174 122.884 120.570 0.232 0.000 2.307 277 I HA 0.420 4.579 4.170 -0.018 0.000 0.287 277 I C 1.258 177.473 176.117 0.163 0.000 1.054 277 I CA -0.580 60.845 61.300 0.208 0.000 1.218 277 I CB 0.313 38.533 38.000 0.367 0.000 1.398 277 I HN 0.988 nan 8.210 nan 0.000 0.475 278 A N 5.057 127.945 122.820 0.113 0.000 2.208 278 A HA 0.124 4.434 4.320 -0.018 0.000 0.209 278 A C 0.714 178.342 177.584 0.072 0.000 1.161 278 A CA 0.866 52.994 52.037 0.151 0.000 0.782 278 A CB 0.073 19.183 19.000 0.184 0.000 0.816 278 A HN 0.656 nan 8.150 nan 0.000 0.477 279 E N -1.915 118.268 120.200 -0.028 0.000 2.392 279 E HA 0.511 4.850 4.350 -0.018 0.000 0.281 279 E C -1.513 175.019 176.600 -0.114 0.000 1.088 279 E CA -0.373 55.952 56.400 -0.126 0.000 0.850 279 E CB 0.820 30.276 29.700 -0.406 0.000 1.267 279 E HN 0.038 nan 8.360 nan 0.000 0.438 280 M N 3.831 123.357 119.600 -0.123 0.000 2.274 280 M HA 0.453 4.922 4.480 -0.018 0.000 0.272 280 M C -2.064 173.996 176.300 -0.401 0.000 1.053 280 M CA -0.707 54.378 55.300 -0.359 0.000 0.978 280 M CB 1.392 33.701 32.600 -0.485 0.000 1.836 280 M HN 0.475 nan 8.290 nan 0.000 0.484 281 V N 5.583 125.189 119.914 -0.513 0.000 2.769 281 V HA 0.781 4.890 4.120 -0.018 0.000 0.312 281 V C -1.387 174.239 176.094 -0.779 0.000 1.061 281 V CA -0.337 61.493 62.300 -0.782 0.000 0.931 281 V CB 2.360 33.600 31.823 -0.973 0.000 1.010 281 V HN 0.629 nan 8.190 nan 0.000 0.433 282 V N 8.318 127.677 119.914 -0.925 0.000 2.289 282 V HA 0.421 4.530 4.120 -0.018 0.000 0.272 282 V C -2.439 173.293 176.094 -0.603 0.000 1.026 282 V CA -1.285 60.522 62.300 -0.821 0.000 0.807 282 V CB 1.407 32.618 31.823 -1.021 0.000 1.044 282 V HN 0.825 nan 8.190 nan 0.000 0.443 283 P HA 0.354 nan 4.420 nan 0.000 0.292 283 P C -1.344 175.748 177.300 -0.346 0.000 1.287 283 P CA -0.383 62.530 63.100 -0.312 0.000 0.800 283 P CB 1.145 32.673 31.700 -0.285 0.000 0.945 284 Y N 0.809 121.012 120.300 -0.162 0.000 2.323 284 Y HA 0.453 4.993 4.550 -0.018 0.000 0.331 284 Y C 1.748 177.603 175.900 -0.075 0.000 1.092 284 Y CA 0.280 58.317 58.100 -0.105 0.000 1.150 284 Y CB 1.391 39.735 38.460 -0.192 0.000 1.200 284 Y HN 0.482 nan 8.280 nan 0.000 0.472 285 G N 1.424 110.261 108.800 0.063 0.000 3.609 285 G HA2 0.009 3.958 3.960 -0.018 0.000 0.280 285 G HA3 0.009 3.958 3.960 -0.018 0.000 0.280 285 G C -0.704 174.234 174.900 0.063 0.000 1.155 285 G CA -0.184 44.955 45.100 0.066 0.000 0.876 285 G HN 0.519 nan 8.290 nan 0.000 0.535 286 D N 1.022 121.446 120.400 0.039 0.000 2.317 286 D HA 0.261 4.891 4.640 -0.018 0.000 0.234 286 D C -1.050 175.227 176.300 -0.038 0.000 1.112 286 D CA -2.441 51.545 54.000 -0.023 0.000 0.840 286 D CB 2.264 43.043 40.800 -0.035 0.000 1.078 286 D HN 0.029 nan 8.370 nan 0.000 0.486 287 P HA -0.049 nan 4.420 nan 0.000 0.239 287 P C 0.399 177.686 177.300 -0.021 0.000 1.184 287 P CA 0.019 63.108 63.100 -0.017 0.000 0.760 287 P CB 0.143 31.843 31.700 -0.001 0.000 0.884 288 S N 1.485 117.161 115.700 -0.040 0.000 2.552 288 S HA 0.064 4.523 4.470 -0.018 0.000 0.289 288 S C -1.323 173.272 174.600 -0.008 0.000 1.304 288 S CA -0.849 57.334 58.200 -0.028 0.000 1.063 288 S CB 0.241 63.401 63.200 -0.067 0.000 0.848 288 S HN -0.060 nan 8.310 nan 0.000 0.499 289 P HA -0.077 nan 4.420 nan 0.000 0.221 289 P C 1.164 178.586 177.300 0.204 0.000 1.145 289 P CA 0.645 63.816 63.100 0.118 0.000 0.795 289 P CB 0.046 31.818 31.700 0.121 0.000 0.775 290 I N -0.967 119.677 120.570 0.122 0.000 2.394 290 I HA -0.113 4.046 4.170 -0.018 0.000 0.251 290 I C 1.691 177.915 176.117 0.178 0.000 1.136 290 I CA 1.596 63.007 61.300 0.185 0.000 1.425 290 I CB -0.865 37.147 38.000 0.020 0.000 1.079 290 I HN 0.049 nan 8.210 nan 0.000 0.425 291 R N -0.585 119.812 120.500 -0.172 0.000 2.541 291 R HA 0.105 4.434 4.340 -0.018 0.000 0.332 291 R C 1.887 177.728 176.300 -0.764 0.000 0.951 291 R CA 0.475 56.174 56.100 -0.669 0.000 1.136 291 R CB 0.251 30.296 30.300 -0.426 0.000 1.449 291 R HN 0.257 nan 8.270 nan 0.000 0.531 292 S N 0.871 116.333 115.700 -0.398 0.000 2.500 292 S HA -0.124 4.335 4.470 -0.018 0.000 0.239 292 S C 1.382 175.812 174.600 -0.284 0.000 0.989 292 S CA 0.537 58.593 58.200 -0.241 0.000 0.951 292 S CB -0.407 62.742 63.200 -0.086 0.000 0.759 292 S HN 0.626 nan 8.310 nan 0.000 0.523 293 W N 0.503 121.659 121.300 -0.240 0.000 3.211 293 W HA 0.389 5.038 4.660 -0.018 0.000 0.292 293 W C 0.493 177.035 176.519 0.039 0.000 1.268 293 W CA -0.653 56.428 57.345 -0.439 0.000 1.702 293 W CB -0.608 28.451 29.460 -0.667 0.000 1.092 293 W HN 0.270 nan 8.180 nan 0.000 0.643 294 Q N 2.985 122.346 119.800 -0.732 0.000 2.263 294 Q HA 0.085 4.414 4.340 -0.018 0.000 0.270 294 Q C -0.774 175.220 176.000 -0.010 0.000 1.104 294 Q CA 0.739 56.202 55.803 -0.568 0.000 0.909 294 Q CB 0.037 28.140 28.738 -1.058 0.000 1.214 294 Q HN 0.054 nan 8.270 nan 0.000 0.400 295 N N 4.282 123.092 118.700 0.182 0.000 2.578 295 N HA 0.127 4.856 4.740 -0.018 0.000 0.282 295 N C -1.819 173.794 175.510 0.172 0.000 1.119 295 N CA -0.469 52.641 53.050 0.100 0.000 0.948 295 N CB 1.333 39.883 38.487 0.105 0.000 1.546 295 N HN 0.468 nan 8.380 nan 0.000 0.525 296 Y N -0.243 120.036 120.300 -0.036 0.000 2.364 296 Y HA 0.707 5.246 4.550 -0.018 0.000 0.340 296 Y C -1.240 174.524 175.900 -0.226 0.000 0.975 296 Y CA -1.239 56.821 58.100 -0.066 0.000 1.089 296 Y CB 0.711 39.121 38.460 -0.083 0.000 1.192 296 Y HN 0.192 nan 8.280 nan 0.000 0.454 297 F N 3.589 123.426 119.950 -0.187 0.000 2.334 297 F HA 0.564 5.080 4.527 -0.018 0.000 0.365 297 F C 1.310 177.012 175.800 -0.163 0.000 1.124 297 F CA -0.359 57.530 58.000 -0.186 0.000 1.166 297 F CB 0.905 39.837 39.000 -0.113 0.000 1.355 297 F HN 0.945 nan 8.300 nan 0.000 0.532 298 A N 2.130 124.995 122.820 0.075 0.000 1.873 298 A HA -0.208 4.101 4.320 -0.018 0.000 0.218 298 A C 2.239 179.972 177.584 0.249 0.000 1.193 298 A CA 2.651 54.850 52.037 0.270 0.000 0.629 298 A CB -0.875 18.315 19.000 0.317 0.000 0.826 298 A HN 0.620 nan 8.150 nan 0.000 0.447 299 T N -0.656 113.987 114.554 0.148 0.000 2.698 299 T HA 0.045 4.384 4.350 -0.018 0.000 0.260 299 T C 2.034 176.746 174.700 0.020 0.000 1.044 299 T CA 1.438 63.595 62.100 0.096 0.000 1.149 299 T CB -0.827 68.067 68.868 0.042 0.000 0.864 299 T HN 0.572 nan 8.240 nan 0.000 0.419 300 G N 0.943 109.738 108.800 -0.008 0.000 2.402 300 G HA2 -0.141 3.809 3.960 -0.018 0.000 0.216 300 G HA3 -0.141 3.809 3.960 -0.018 0.000 0.216 300 G C 1.468 176.347 174.900 -0.035 0.000 1.162 300 G CA 0.610 45.640 45.100 -0.116 0.000 0.777 300 G HN 0.517 nan 8.290 nan 0.000 0.539 301 E N -1.077 119.161 120.200 0.063 0.000 2.166 301 E HA 0.106 4.445 4.350 -0.018 0.000 0.192 301 E C 1.971 178.829 176.600 0.429 0.000 0.967 301 E CA 0.276 56.765 56.400 0.149 0.000 0.840 301 E CB 0.005 29.756 29.700 0.084 0.000 0.795 301 E HN 0.656 nan 8.360 nan 0.000 0.470 302 Y N 0.176 120.668 120.300 0.321 0.000 2.479 302 Y HA 0.225 4.764 4.550 -0.018 0.000 0.283 302 Y C 0.169 176.307 175.900 0.397 0.000 1.109 302 Y CA -0.343 58.016 58.100 0.432 0.000 1.239 302 Y CB 0.811 39.549 38.460 0.463 0.000 1.108 302 Y HN -0.145 nan 8.280 nan 0.000 0.548 303 L N 0.984 122.457 121.223 0.416 0.000 2.586 303 L HA -0.194 4.135 4.340 -0.018 0.000 0.690 303 L C 1.049 178.091 176.870 0.286 0.000 1.053 303 L CA -0.250 54.734 54.840 0.240 0.000 1.383 303 L CB -1.399 40.763 42.059 0.172 0.000 2.057 303 L HN 0.177 nan 8.230 nan 0.000 0.951 304 V N -0.413 119.672 119.914 0.284 0.000 2.469 304 V HA -0.130 3.979 4.120 -0.018 0.000 0.251 304 V C 2.176 178.443 176.094 0.288 0.000 1.064 304 V CA 2.258 64.777 62.300 0.365 0.000 1.066 304 V CB -0.568 31.452 31.823 0.328 0.000 0.667 304 V HN 0.855 nan 8.190 nan 0.000 0.461 305 G N -0.173 108.655 108.800 0.046 0.000 2.432 305 G HA2 -0.310 3.640 3.960 -0.018 0.000 0.219 305 G HA3 -0.310 3.640 3.960 -0.018 0.000 0.219 305 G C 1.571 176.566 174.900 0.160 0.000 1.135 305 G CA 0.888 45.971 45.100 -0.030 0.000 0.767 305 G HN 0.698 nan 8.290 nan 0.000 0.550 306 Q N -0.715 119.076 119.800 -0.015 0.000 2.226 306 Q HA -0.116 4.213 4.340 -0.018 0.000 0.204 306 Q C 1.122 176.921 176.000 -0.336 0.000 0.975 306 Q CA 1.096 56.761 55.803 -0.231 0.000 0.866 306 Q CB -0.198 28.263 28.738 -0.462 0.000 0.915 306 Q HN 0.580 nan 8.270 nan 0.000 0.440 307 Y N -0.080 120.363 120.300 0.238 0.000 2.571 307 Y HA 0.463 5.003 4.550 -0.018 0.000 0.275 307 Y C 0.360 176.427 175.900 0.278 0.000 1.179 307 Y CA -0.391 57.846 58.100 0.228 0.000 1.242 307 Y CB -0.042 38.548 38.460 0.216 0.000 1.126 307 Y HN 0.113 nan 8.280 nan 0.000 0.524 308 A N 0.974 124.031 122.820 0.396 0.000 2.540 308 A HA 0.083 4.393 4.320 -0.018 0.000 0.239 308 A C 0.296 178.067 177.584 0.312 0.000 1.061 308 A CA -0.213 52.093 52.037 0.448 0.000 0.758 308 A CB -0.220 19.051 19.000 0.452 0.000 0.991 308 A HN 0.601 nan 8.150 nan 0.000 0.502 309 N N 0.783 119.676 118.700 0.322 0.000 2.483 309 N HA 0.304 5.034 4.740 -0.018 0.000 0.269 309 N C -0.410 175.191 175.510 0.153 0.000 1.209 309 N CA -0.371 52.808 53.050 0.215 0.000 0.969 309 N CB 0.701 39.307 38.487 0.200 0.000 1.173 309 N HN 0.542 nan 8.380 nan 0.000 0.475 310 S N 1.246 116.997 115.700 0.084 0.000 2.465 310 S HA 0.226 4.685 4.470 -0.018 0.000 0.279 310 S C -0.035 174.586 174.600 0.035 0.000 1.201 310 S CA -0.603 57.612 58.200 0.024 0.000 1.053 310 S CB 0.029 63.219 63.200 -0.016 0.000 0.953 310 S HN 0.268 nan 8.310 nan 0.000 0.488 311 L N 3.242 124.501 121.223 0.060 0.000 2.281 311 L HA 0.387 4.716 4.340 -0.018 0.000 0.285 311 L C 0.432 177.358 176.870 0.093 0.000 1.074 311 L CA -0.580 54.333 54.840 0.122 0.000 0.817 311 L CB 0.534 42.749 42.059 0.260 0.000 1.168 311 L HN 0.474 nan 8.230 nan 0.000 0.434 312 E N 2.704 122.946 120.200 0.070 0.000 2.259 312 E HA 0.217 4.556 4.350 -0.018 0.000 0.281 312 E C -0.625 176.051 176.600 0.127 0.000 1.037 312 E CA -0.585 55.852 56.400 0.061 0.000 0.854 312 E CB 1.062 30.776 29.700 0.024 0.000 1.051 312 E HN 0.287 nan 8.360 nan 0.000 0.409 313 L N 4.121 125.448 121.223 0.174 0.000 2.514 313 L HA 0.264 4.593 4.340 -0.018 0.000 0.280 313 L C 1.406 178.324 176.870 0.080 0.000 1.223 313 L CA 1.974 56.922 54.840 0.180 0.000 0.864 313 L CB 0.332 42.513 42.059 0.203 0.000 1.118 313 L HN 0.755 nan 8.230 nan 0.000 0.494 314 G N 1.916 110.743 108.800 0.045 0.000 2.328 314 G HA2 -0.407 3.542 3.960 -0.018 0.000 0.256 314 G HA3 -0.407 3.542 3.960 -0.018 0.000 0.256 314 G C 1.038 175.947 174.900 0.015 0.000 1.014 314 G CA 0.743 45.855 45.100 0.020 0.000 0.620 314 G HN 0.969 nan 8.290 nan 0.000 0.530 315 C N -0.843 118.471 119.300 0.024 0.000 2.508 315 C HA 0.377 4.826 4.460 -0.018 0.000 0.303 315 C C 2.265 177.259 174.990 0.006 0.000 1.496 315 C CA 1.784 60.808 59.018 0.009 0.000 2.041 315 C CB -0.414 27.328 27.740 0.005 0.000 2.011 315 C HN 0.492 nan 8.230 nan 0.000 0.655 316 D N -0.175 120.239 120.400 0.023 0.000 2.183 316 D HA 0.100 4.729 4.640 -0.018 0.000 0.205 316 D C 0.307 176.652 176.300 0.075 0.000 0.962 316 D CA 1.043 55.062 54.000 0.031 0.000 0.849 316 D CB 0.066 40.891 40.800 0.042 0.000 0.978 316 D HN 0.437 nan 8.370 nan 0.000 0.488 317 c N 1.742 120.378 118.600 0.059 0.000 2.346 317 c HA 0.524 5.083 4.570 -0.018 0.000 0.326 317 c C -0.335 173.699 174.090 -0.093 0.000 1.224 317 c CA -1.141 55.172 56.329 -0.026 0.000 1.408 317 c CB 0.827 43.312 42.510 -0.042 0.000 2.089 317 c HN 0.154 nan 8.230 nan 0.000 0.456 318 L N 4.109 125.244 121.223 -0.148 0.000 2.309 318 L HA 0.968 5.297 4.340 -0.018 0.000 0.282 318 L C 0.464 177.226 176.870 -0.180 0.000 1.036 318 L CA 1.657 56.428 54.840 -0.114 0.000 0.806 318 L CB 0.988 43.018 42.059 -0.048 0.000 1.220 318 L HN 1.118 nan 8.230 nan 0.000 0.429 319 G N 3.342 112.084 108.800 -0.096 0.000 2.384 319 G HA2 -0.135 3.814 3.960 -0.018 0.000 0.204 319 G HA3 -0.135 3.814 3.960 -0.018 0.000 0.204 319 G C -1.155 173.717 174.900 -0.046 0.000 1.237 319 G CA -0.244 44.821 45.100 -0.058 0.000 1.060 319 G HN 0.749 nan 8.290 nan 0.000 0.514 320 D N 1.414 121.815 120.400 0.002 0.000 2.393 320 D HA 0.409 5.038 4.640 -0.018 0.000 0.232 320 D C 0.283 176.600 176.300 0.027 0.000 1.192 320 D CA -0.164 53.844 54.000 0.013 0.000 0.882 320 D CB 0.045 40.859 40.800 0.024 0.000 1.038 320 D HN 0.361 nan 8.370 nan 0.000 0.499 321 I N 2.682 123.219 120.570 -0.054 0.000 2.392 321 I HA 0.206 4.365 4.170 -0.018 0.000 0.295 321 I C 0.677 176.704 176.117 -0.149 0.000 0.985 321 I CA -0.500 60.706 61.300 -0.156 0.000 1.221 321 I CB 1.504 39.233 38.000 -0.451 0.000 1.366 321 I HN 0.120 nan 8.210 nan 0.000 0.467 322 T N 6.370 120.897 114.554 -0.044 0.000 2.770 322 T HA 0.507 4.846 4.350 -0.018 0.000 0.283 322 T C -0.531 174.131 174.700 -0.063 0.000 0.988 322 T CA -0.269 61.864 62.100 0.055 0.000 0.957 322 T CB 0.478 69.540 68.868 0.323 0.000 0.930 322 T HN 0.159 nan 8.240 nan 0.000 0.443 323 Y N 2.111 122.462 120.300 0.085 0.000 2.376 323 Y HA 0.654 5.194 4.550 -0.018 0.000 0.325 323 Y C 0.258 176.172 175.900 0.024 0.000 1.199 323 Y CA -1.220 56.907 58.100 0.045 0.000 1.206 323 Y CB 1.004 39.481 38.460 0.030 0.000 1.229 323 Y HN 0.361 nan 8.280 nan 0.000 0.480 324 L N 1.295 122.631 121.223 0.189 0.000 2.381 324 L HA 0.511 4.841 4.340 -0.018 0.000 0.268 324 L C -0.696 176.176 176.870 0.003 0.000 0.997 324 L CA -0.664 54.215 54.840 0.065 0.000 0.818 324 L CB 2.079 44.145 42.059 0.012 0.000 1.310 324 L HN 0.531 nan 8.230 nan 0.000 0.416 325 S N 3.232 118.907 115.700 -0.041 0.000 2.406 325 S HA 0.327 4.786 4.470 -0.018 0.000 0.224 325 S C -2.351 172.166 174.600 -0.139 0.000 1.426 325 S CA -1.025 57.116 58.200 -0.098 0.000 1.179 325 S CB 0.693 63.853 63.200 -0.066 0.000 1.042 325 S HN 0.389 nan 8.310 nan 0.000 0.479 326 P HA 0.200 nan 4.420 nan 0.000 0.269 326 P C -0.692 176.512 177.300 -0.159 0.000 1.215 326 P CA -0.255 62.683 63.100 -0.271 0.000 0.780 326 P CB 0.750 32.021 31.700 -0.714 0.000 0.898 327 V N 3.817 123.707 119.914 -0.040 0.000 2.513 327 V HA 0.481 4.590 4.120 -0.018 0.000 0.299 327 V C 0.688 176.812 176.094 0.049 0.000 1.035 327 V CA -0.607 61.691 62.300 -0.003 0.000 0.889 327 V CB 1.267 33.093 31.823 0.006 0.000 0.988 327 V HN 0.511 nan 8.190 nan 0.000 0.440 328 I N 0.718 121.309 120.570 0.035 0.000 3.108 328 I HA 0.806 4.966 4.170 -0.018 0.000 0.312 328 I C -0.150 175.965 176.117 -0.004 0.000 1.095 328 I CA -0.620 60.701 61.300 0.035 0.000 1.000 328 I CB 2.329 40.359 38.000 0.051 0.000 1.229 328 I HN 0.529 nan 8.210 nan 0.000 0.454 329 S N 1.175 116.854 115.700 -0.035 0.000 2.585 329 S HA 0.375 4.834 4.470 -0.018 0.000 0.277 329 S C -0.565 174.010 174.600 -0.041 0.000 1.241 329 S CA -0.525 57.649 58.200 -0.042 0.000 1.041 329 S CB 0.735 63.892 63.200 -0.072 0.000 0.987 329 S HN 0.818 nan 8.310 nan 0.000 0.512 330 D N 2.245 122.633 120.400 -0.020 0.000 2.506 330 D HA 0.441 5.070 4.640 -0.018 0.000 0.272 330 D C 1.126 177.354 176.300 -0.120 0.000 1.214 330 D CA -0.232 53.746 54.000 -0.036 0.000 1.067 330 D CB 0.190 41.016 40.800 0.043 0.000 1.117 330 D HN 0.480 nan 8.370 nan 0.000 0.578 331 A N -1.079 121.568 122.820 -0.289 0.000 2.178 331 A HA -0.022 4.288 4.320 -0.018 0.000 0.218 331 A C 1.309 178.554 177.584 -0.566 0.000 1.157 331 A CA 0.758 52.506 52.037 -0.483 0.000 0.689 331 A CB -0.930 17.659 19.000 -0.686 0.000 0.787 331 A HN 0.457 nan 8.150 nan 0.000 0.465 332 F N -1.762 118.200 119.950 0.020 0.000 2.678 332 F HA 0.413 4.929 4.527 -0.018 0.000 0.305 332 F C 1.730 177.529 175.800 -0.002 0.000 1.090 332 F CA 0.172 58.180 58.000 0.013 0.000 1.272 332 F CB 0.182 39.188 39.000 0.011 0.000 1.060 332 F HN 0.284 nan 8.300 nan 0.000 0.576 333 G N 0.587 109.442 108.800 0.091 0.000 2.175 333 G HA2 -0.278 3.671 3.960 -0.018 0.000 0.244 333 G HA3 -0.278 3.671 3.960 -0.018 0.000 0.244 333 G C -0.058 174.861 174.900 0.032 0.000 0.982 333 G CA -0.344 44.779 45.100 0.038 0.000 0.641 333 G HN 0.430 nan 8.290 nan 0.000 0.527 334 N N 2.536 121.282 118.700 0.076 0.000 2.529 334 N HA 0.499 5.228 4.740 -0.018 0.000 0.278 334 N C -2.321 173.203 175.510 0.023 0.000 1.146 334 N CA -1.145 51.936 53.050 0.051 0.000 0.980 334 N CB 1.531 40.070 38.487 0.086 0.000 1.124 334 N HN 0.149 nan 8.380 nan 0.000 0.458 335 P HA 0.101 nan 4.420 nan 0.000 0.275 335 P C -1.090 176.213 177.300 0.006 0.000 1.227 335 P CA -0.015 63.081 63.100 -0.006 0.000 0.781 335 P CB 1.030 32.720 31.700 -0.017 0.000 0.906 336 R N 1.840 122.342 120.500 0.004 0.000 2.514 336 R HA 0.235 4.564 4.340 -0.018 0.000 0.296 336 R C -0.489 175.808 176.300 -0.006 0.000 1.012 336 R CA -0.591 55.513 56.100 0.006 0.000 0.897 336 R CB 1.592 31.900 30.300 0.014 0.000 1.184 336 R HN 0.511 nan 8.270 nan 0.000 0.440 337 E N 5.081 125.273 120.200 -0.013 0.000 2.283 337 E HA 0.166 4.505 4.350 -0.018 0.000 0.278 337 E C -0.628 175.947 176.600 -0.042 0.000 1.027 337 E CA -0.428 55.953 56.400 -0.032 0.000 0.843 337 E CB 0.900 30.581 29.700 -0.031 0.000 1.062 337 E HN 0.533 nan 8.360 nan 0.000 0.401 338 I N 5.144 125.667 120.570 -0.078 0.000 2.316 338 I HA 0.165 4.325 4.170 -0.018 0.000 0.286 338 I C 0.119 176.176 176.117 -0.099 0.000 1.107 338 I CA -0.683 60.568 61.300 -0.082 0.000 1.219 338 I CB 0.281 38.201 38.000 -0.134 0.000 1.455 338 I HN 0.352 nan 8.210 nan 0.000 0.498 339 R N 6.476 126.930 120.500 -0.076 0.000 2.502 339 R HA -0.020 4.309 4.340 -0.018 0.000 0.292 339 R C 0.482 176.696 176.300 -0.142 0.000 0.998 339 R CA 0.451 56.490 56.100 -0.101 0.000 1.056 339 R CB -0.250 29.996 30.300 -0.090 0.000 0.939 339 R HN 0.587 nan 8.270 nan 0.000 0.411 340 N N 2.386 120.974 118.700 -0.186 0.000 2.727 340 N HA -0.179 4.551 4.740 -0.018 0.000 0.249 340 N C 0.521 176.008 175.510 -0.037 0.000 1.048 340 N CA 1.271 54.159 53.050 -0.271 0.000 0.714 340 N CB -1.313 36.693 38.487 -0.802 0.000 0.959 340 N HN 0.842 nan 8.380 nan 0.000 0.544 341 G N -0.917 107.862 108.800 -0.034 0.000 2.572 341 G HA2 0.213 4.162 3.960 -0.018 0.000 0.216 341 G HA3 0.213 4.162 3.960 -0.018 0.000 0.216 341 G C 0.552 175.502 174.900 0.084 0.000 1.133 341 G CA 0.248 45.346 45.100 -0.003 0.000 0.791 341 G HN 0.456 nan 8.290 nan 0.000 0.538 342 I N 0.440 121.070 120.570 0.099 0.000 2.466 342 I HA 0.300 4.459 4.170 -0.018 0.000 0.289 342 I C -0.741 175.489 176.117 0.189 0.000 1.026 342 I CA -0.899 60.482 61.300 0.135 0.000 1.078 342 I CB 2.372 40.386 38.000 0.024 0.000 1.249 342 I HN -0.183 nan 8.210 nan 0.000 0.429 343 c N 7.015 125.697 118.600 0.137 0.000 2.358 343 c HA 0.694 5.253 4.570 -0.018 0.000 0.342 343 c C 0.065 174.145 174.090 -0.015 0.000 1.234 343 c CA -0.503 55.831 56.329 0.009 0.000 1.969 343 c CB 0.694 43.228 42.510 0.040 0.000 2.346 343 c HN 0.664 nan 8.230 nan 0.000 0.525 344 M N 5.453 125.007 119.600 -0.076 0.000 2.267 344 M HA 0.489 4.958 4.480 -0.018 0.000 0.289 344 M C -0.698 175.567 176.300 -0.058 0.000 1.043 344 M CA -0.158 55.034 55.300 -0.181 0.000 0.928 344 M CB 1.922 34.321 32.600 -0.334 0.000 1.613 344 M HN 0.973 nan 8.290 nan 0.000 0.450 345 H N 1.014 119.924 119.070 -0.267 0.000 2.987 345 H HA 0.477 5.022 4.556 -0.018 0.000 0.316 345 H C -2.111 173.140 175.328 -0.128 0.000 1.380 345 H CA -0.983 55.061 56.048 -0.006 0.000 1.160 345 H CB 1.193 30.972 29.762 0.029 0.000 1.865 345 H HN 0.756 nan 8.280 nan 0.000 0.521 346 E N 1.171 121.377 120.200 0.009 0.000 2.221 346 E HA 0.547 4.886 4.350 -0.018 0.000 0.268 346 E C -0.932 175.693 176.600 0.042 0.000 0.933 346 E CA -0.922 55.377 56.400 -0.168 0.000 0.809 346 E CB 2.734 32.478 29.700 0.073 0.000 1.190 346 E HN 0.728 nan 8.360 nan 0.000 0.406 347 E N 1.518 121.724 120.200 0.010 0.000 2.383 347 E HA 0.250 4.589 4.350 -0.018 0.000 0.275 347 E C -1.452 175.274 176.600 0.210 0.000 0.918 347 E CA -1.034 55.458 56.400 0.152 0.000 0.764 347 E CB 1.480 31.288 29.700 0.180 0.000 1.252 347 E HN 0.536 nan 8.360 nan 0.000 0.449 348 D N 1.155 121.688 120.400 0.221 0.000 2.443 348 D HA -0.047 4.582 4.640 -0.018 0.000 0.239 348 D C -0.941 175.561 176.300 0.337 0.000 1.136 348 D CA 0.068 54.204 54.000 0.227 0.000 0.879 348 D CB 0.561 41.443 40.800 0.136 0.000 1.195 348 D HN 0.510 nan 8.370 nan 0.000 0.443 349 W N 5.905 127.249 121.300 0.073 0.000 1.380 349 W HA 0.379 5.028 4.660 -0.019 0.000 0.298 349 W C 0.252 176.809 176.519 0.064 0.000 0.837 349 W CA 0.063 57.451 57.345 0.071 0.000 2.343 349 W CB 0.094 29.637 29.460 0.139 0.000 2.070 349 W HN 0.846 nan 8.180 nan 0.000 0.500 350 G N 1.975 110.700 108.800 -0.125 0.000 2.575 350 G HA2 -0.330 3.619 3.960 -0.018 0.000 0.267 350 G HA3 -0.330 3.619 3.960 -0.018 0.000 0.267 350 G C -0.372 174.509 174.900 -0.031 0.000 1.264 350 G CA -0.129 44.883 45.100 -0.147 0.000 0.935 350 G HN 0.108 nan 8.290 nan 0.000 0.568 351 I N 1.285 121.829 120.570 -0.044 0.000 2.496 351 I HA 0.217 4.376 4.170 -0.018 0.000 0.285 351 I C 1.566 177.713 176.117 0.048 0.000 1.080 351 I CA -0.070 61.231 61.300 0.003 0.000 1.404 351 I CB 0.829 38.824 38.000 -0.009 0.000 1.403 351 I HN 0.636 nan 8.210 nan 0.000 0.539 352 L N 6.603 127.873 121.223 0.078 0.000 2.200 352 L HA 0.472 4.801 4.340 -0.018 0.000 0.200 352 L C 0.630 177.561 176.870 0.102 0.000 1.072 352 L CA 1.047 55.954 54.840 0.112 0.000 0.787 352 L CB 0.113 42.248 42.059 0.128 0.000 0.957 352 L HN 0.696 nan 8.230 nan 0.000 0.459 353 A N -0.393 122.497 122.820 0.116 0.000 2.547 353 A HA 0.661 4.971 4.320 -0.018 0.000 0.297 353 A C -1.124 176.581 177.584 0.202 0.000 1.056 353 A CA -0.590 51.544 52.037 0.162 0.000 0.688 353 A CB 1.139 20.279 19.000 0.232 0.000 1.282 353 A HN 0.075 nan 8.150 nan 0.000 0.400 354 K N 1.067 121.587 120.400 0.201 0.000 2.557 354 K HA 0.579 4.888 4.320 -0.018 0.000 0.257 354 K C -2.202 174.545 176.600 0.245 0.000 0.933 354 K CA -0.513 55.904 56.287 0.216 0.000 0.820 354 K CB 1.761 34.324 32.500 0.104 0.000 1.330 354 K HN 1.088 nan 8.250 nan 0.000 0.432 355 H N 0.306 119.453 119.070 0.127 0.000 3.129 355 H HA 0.375 4.920 4.556 -0.019 0.000 0.342 355 H C -1.949 173.407 175.328 0.046 0.000 1.092 355 H CA -0.353 55.724 56.048 0.048 0.000 1.310 355 H CB 1.939 31.701 29.762 -0.000 0.000 1.932 355 H HN 0.424 nan 8.280 nan 0.000 0.507 356 S N 4.072 119.420 115.700 -0.586 0.000 2.520 356 S HA 0.174 4.633 4.470 -0.018 0.000 0.324 356 S C -0.811 173.335 174.600 -0.757 0.000 1.069 356 S CA -0.662 57.262 58.200 -0.461 0.000 1.121 356 S CB 0.482 63.547 63.200 -0.224 0.000 0.971 356 S HN 0.655 nan 8.310 nan 0.000 0.463 357 D N 2.552 122.587 120.400 -0.609 0.000 2.280 357 D HA 0.252 4.881 4.640 -0.018 0.000 0.243 357 D C 1.056 177.244 176.300 -0.185 0.000 1.129 357 D CA -0.414 53.368 54.000 -0.363 0.000 0.848 357 D CB 0.731 41.500 40.800 -0.052 0.000 1.107 357 D HN 0.350 nan 8.370 nan 0.000 0.471 358 L N 4.552 125.629 121.223 -0.243 0.000 2.017 358 L HA -0.098 4.231 4.340 -0.018 0.000 0.208 358 L C 1.327 178.189 176.870 -0.014 0.000 1.073 358 L CA 1.015 55.744 54.840 -0.185 0.000 0.745 358 L CB -0.069 41.802 42.059 -0.314 0.000 0.894 358 L HN 0.627 nan 8.230 nan 0.000 0.432 359 W N 0.011 121.317 121.300 0.009 0.000 2.355 359 W HA -0.145 4.511 4.660 -0.006 0.000 0.309 359 W C 3.040 179.564 176.519 0.007 0.000 1.206 359 W CA 1.326 58.677 57.345 0.011 0.000 1.284 359 W CB -1.494 27.977 29.460 0.019 0.000 1.145 359 W HN 0.407 nan 8.180 nan 0.000 0.502 360 S N -0.762 115.078 115.700 0.234 0.000 2.470 360 S HA 0.230 4.689 4.470 -0.018 0.000 0.225 360 S C 1.806 176.454 174.600 0.080 0.000 1.006 360 S CA 1.016 59.298 58.200 0.137 0.000 0.934 360 S CB -0.249 63.022 63.200 0.117 0.000 0.778 360 S HN 0.454 nan 8.310 nan 0.000 0.517 361 G N 1.053 109.886 108.800 0.054 0.000 2.162 361 G HA2 -0.241 3.708 3.960 -0.018 0.000 0.260 361 G HA3 -0.241 3.708 3.960 -0.018 0.000 0.260 361 G C 0.006 174.911 174.900 0.009 0.000 0.976 361 G CA 0.394 45.507 45.100 0.022 0.000 0.655 361 G HN 0.611 nan 8.290 nan 0.000 0.533 362 I N 1.231 121.809 120.570 0.012 0.000 2.342 362 I HA 0.295 4.455 4.170 -0.018 0.000 0.291 362 I C -0.423 175.693 176.117 -0.002 0.000 1.010 362 I CA -0.844 60.470 61.300 0.023 0.000 1.308 362 I CB 1.082 39.114 38.000 0.053 0.000 1.400 362 I HN -0.037 nan 8.210 nan 0.000 0.488 363 N N 6.243 124.954 118.700 0.020 0.000 2.408 363 N HA 0.337 5.066 4.740 -0.018 0.000 0.280 363 N C -1.332 174.247 175.510 0.115 0.000 1.002 363 N CA -0.437 52.621 53.050 0.015 0.000 0.907 363 N CB 1.979 40.457 38.487 -0.014 0.000 1.161 363 N HN 0.457 nan 8.380 nan 0.000 0.488 364 Y N 0.818 121.104 120.300 -0.023 0.000 2.406 364 Y HA 0.496 5.037 4.550 -0.016 0.000 0.340 364 Y C -1.106 174.803 175.900 0.015 0.000 0.975 364 Y CA -0.331 57.774 58.100 0.009 0.000 1.056 364 Y CB 1.687 40.169 38.460 0.036 0.000 1.210 364 Y HN 0.360 nan 8.280 nan 0.000 0.448 365 T N 6.832 121.223 114.554 -0.272 0.000 3.032 365 T HA 0.593 4.932 4.350 -0.018 0.000 0.312 365 T C -1.352 173.128 174.700 -0.367 0.000 1.078 365 T CA -0.996 60.986 62.100 -0.196 0.000 1.028 365 T CB 1.264 70.080 68.868 -0.087 0.000 1.091 365 T HN 0.426 nan 8.240 nan 0.000 0.457 366 R N 1.829 122.196 120.500 -0.222 0.000 2.673 366 R HA 0.547 4.877 4.340 -0.018 0.000 0.281 366 R C -0.510 175.771 176.300 -0.031 0.000 0.991 366 R CA -0.834 55.169 56.100 -0.163 0.000 0.896 366 R CB 2.412 32.628 30.300 -0.140 0.000 1.201 366 R HN 0.572 nan 8.270 nan 0.000 0.457 367 R N 1.018 121.516 120.500 -0.004 0.000 2.573 367 R HA 0.362 4.691 4.340 -0.018 0.000 0.272 367 R C 0.196 176.561 176.300 0.108 0.000 1.009 367 R CA -0.854 55.274 56.100 0.047 0.000 1.059 367 R CB 0.954 31.278 30.300 0.041 0.000 1.112 367 R HN 0.385 nan 8.270 nan 0.000 0.517 368 N N 0.886 119.688 118.700 0.170 0.000 2.485 368 N HA 0.400 5.129 4.740 -0.018 0.000 0.280 368 N C -1.160 174.556 175.510 0.344 0.000 1.205 368 N CA -0.659 52.557 53.050 0.276 0.000 0.959 368 N CB 1.158 39.860 38.487 0.357 0.000 1.206 368 N HN 0.603 nan 8.380 nan 0.000 0.545 369 R N -1.011 119.742 120.500 0.422 0.000 2.692 369 R HA 0.580 4.909 4.340 -0.018 0.000 0.269 369 R C -1.179 175.361 176.300 0.399 0.000 1.030 369 R CA -1.039 55.316 56.100 0.424 0.000 0.882 369 R CB 1.364 31.916 30.300 0.420 0.000 1.250 369 R HN 0.671 nan 8.270 nan 0.000 0.465 370 R N 1.175 121.707 120.500 0.054 0.000 2.725 370 R HA 0.570 4.899 4.340 -0.018 0.000 0.277 370 R C -1.256 174.573 176.300 -0.784 0.000 0.987 370 R CA -1.141 54.691 56.100 -0.446 0.000 0.901 370 R CB 1.851 31.467 30.300 -1.141 0.000 1.207 370 R HN 0.574 nan 8.270 nan 0.000 0.463 371 M N 2.553 121.392 119.600 -1.268 0.000 2.188 371 M HA 0.330 4.800 4.480 -0.018 0.000 0.357 371 M C -1.544 174.279 176.300 -0.795 0.000 1.204 371 M CA -0.560 53.926 55.300 -1.357 0.000 1.095 371 M CB 1.691 33.274 32.600 -1.694 0.000 1.604 371 M HN 0.515 nan 8.290 nan 0.000 0.464 372 V N 7.094 126.586 119.914 -0.703 0.000 2.495 372 V HA 0.571 4.681 4.120 -0.018 0.000 0.298 372 V C -0.476 175.414 176.094 -0.339 0.000 1.031 372 V CA -0.587 61.466 62.300 -0.412 0.000 0.871 372 V CB 1.609 33.181 31.823 -0.417 0.000 0.988 372 V HN 0.792 nan 8.190 nan 0.000 0.432 373 I N 4.613 125.068 120.570 -0.192 0.000 2.447 373 I HA 0.666 4.825 4.170 -0.018 0.000 0.287 373 I C -0.163 175.951 176.117 -0.005 0.000 1.023 373 I CA -0.052 61.187 61.300 -0.102 0.000 1.083 373 I CB 2.014 39.961 38.000 -0.089 0.000 1.245 373 I HN 0.784 nan 8.210 nan 0.000 0.434 374 S N 5.583 121.280 115.700 -0.004 0.000 2.625 374 S HA 0.863 5.322 4.470 -0.018 0.000 0.271 374 S C -0.974 173.716 174.600 0.150 0.000 1.161 374 S CA -0.737 57.407 58.200 -0.094 0.000 0.820 374 S CB 2.581 65.371 63.200 -0.684 0.000 1.137 374 S HN 0.562 nan 8.310 nan 0.000 0.470 375 F N -1.216 118.691 119.950 -0.072 0.000 2.686 375 F HA 0.906 5.422 4.527 -0.018 0.000 0.311 375 F C -2.191 173.710 175.800 0.168 0.000 1.128 375 F CA -1.677 56.384 58.000 0.101 0.000 0.946 375 F CB 0.944 40.048 39.000 0.172 0.000 1.336 375 F HN 0.629 nan 8.300 nan 0.000 0.457 376 F N 0.881 120.880 119.950 0.082 0.000 2.547 376 F HA 0.664 5.180 4.527 -0.018 0.000 0.316 376 F C -0.269 175.664 175.800 0.220 0.000 1.121 376 F CA -0.395 57.637 58.000 0.052 0.000 0.911 376 F CB 2.288 41.345 39.000 0.095 0.000 1.179 376 F HN 0.883 nan 8.300 nan 0.000 0.443 377 T N 2.256 117.073 114.554 0.440 0.000 2.924 377 T HA 0.659 4.998 4.350 -0.018 0.000 0.291 377 T C -1.093 173.880 174.700 0.456 0.000 1.045 377 T CA -0.304 62.099 62.100 0.505 0.000 1.015 377 T CB 1.347 70.552 68.868 0.561 0.000 1.103 377 T HN 0.560 nan 8.240 nan 0.000 0.496 378 T N 4.469 119.246 114.554 0.372 0.000 2.809 378 T HA 0.528 4.868 4.350 -0.018 0.000 0.284 378 T C -0.693 174.070 174.700 0.105 0.000 0.992 378 T CA -0.558 61.667 62.100 0.207 0.000 0.957 378 T CB 0.447 69.399 68.868 0.140 0.000 0.942 378 T HN 0.407 nan 8.240 nan 0.000 0.439 379 I N 3.970 124.577 120.570 0.062 0.000 2.460 379 I HA 0.373 4.532 4.170 -0.018 0.000 0.277 379 I C 1.340 177.351 176.117 -0.177 0.000 1.057 379 I CA 0.113 61.378 61.300 -0.059 0.000 1.179 379 I CB -0.151 37.986 38.000 0.228 0.000 1.329 379 I HN 0.950 nan 8.210 nan 0.000 0.478 380 G N 7.359 116.006 108.800 -0.255 0.000 2.646 380 G HA2 -0.322 3.627 3.960 -0.018 0.000 0.324 380 G HA3 -0.322 3.627 3.960 -0.018 0.000 0.324 380 G C 0.472 175.276 174.900 -0.158 0.000 1.195 380 G CA 0.585 45.598 45.100 -0.146 0.000 0.976 380 G HN 0.670 nan 8.290 nan 0.000 0.546 384 Y N 0.290 120.683 120.300 0.155 0.000 2.376 384 Y HA 0.699 5.238 4.550 -0.018 0.000 0.340 384 Y C 0.819 176.215 175.900 -0.840 0.000 0.965 384 Y CA -1.134 56.847 58.100 -0.199 0.000 1.078 384 Y CB 2.526 40.982 38.460 -0.007 0.000 1.193 384 Y HN 0.454 nan 8.280 nan 0.000 0.452 385 G N 2.338 110.437 108.800 -1.169 0.000 2.379 385 G HA2 0.603 4.552 3.960 -0.018 0.000 0.327 385 G HA3 0.603 4.552 3.960 -0.018 0.000 0.327 385 G C -1.679 172.871 174.900 -0.583 0.000 1.145 385 G CA -0.411 43.872 45.100 -1.360 0.000 0.905 385 G HN 0.354 nan 8.290 nan 0.000 0.466 386 F N 1.323 120.806 119.950 -0.778 0.000 2.449 386 F HA 0.492 5.009 4.527 -0.018 0.000 0.342 386 F C -0.765 174.672 175.800 -0.604 0.000 1.127 386 F CA -0.917 56.799 58.000 -0.474 0.000 0.975 386 F CB 1.866 40.706 39.000 -0.266 0.000 1.146 386 F HN 0.297 nan 8.300 nan 0.000 0.444 387 Y N 1.357 121.221 120.300 -0.727 0.000 2.361 387 Y HA 0.442 4.981 4.550 -0.018 0.000 0.337 387 Y C -1.111 174.067 175.900 -1.204 0.000 0.965 387 Y CA -1.589 56.032 58.100 -0.798 0.000 1.091 387 Y CB 1.426 39.367 38.460 -0.866 0.000 1.182 387 Y HN 0.525 nan 8.280 nan 0.000 0.450 388 W N 3.473 124.448 121.300 -0.542 0.000 2.529 388 W HA 0.612 5.261 4.660 -0.018 0.000 0.321 388 W C -1.416 174.706 176.519 -0.662 0.000 1.047 388 W CA -0.713 56.341 57.345 -0.485 0.000 1.216 388 W CB 1.167 30.510 29.460 -0.194 0.000 1.357 388 W HN 0.325 nan 8.180 nan 0.000 0.489 389 Y N 3.000 123.212 120.300 -0.147 0.000 2.446 389 Y HA 0.664 5.203 4.550 -0.018 0.000 0.345 389 Y C -0.270 175.340 175.900 -0.482 0.000 0.984 389 Y CA -1.747 56.081 58.100 -0.453 0.000 1.058 389 Y CB 1.192 39.272 38.460 -0.635 0.000 1.220 389 Y HN 0.068 nan 8.280 nan 0.000 0.455 390 L N 4.010 124.905 121.223 -0.547 0.000 2.349 390 L HA 0.520 4.849 4.340 -0.018 0.000 0.278 390 L C -1.226 175.459 176.870 -0.309 0.000 0.996 390 L CA -0.834 53.625 54.840 -0.635 0.000 0.825 390 L CB 1.296 42.660 42.059 -1.159 0.000 1.243 390 L HN 0.603 nan 8.230 nan 0.000 0.412 391 Y N 1.859 122.306 120.300 0.245 0.000 2.453 391 Y HA 0.318 4.858 4.550 -0.018 0.000 0.326 391 Y C 1.216 177.564 175.900 0.747 0.000 1.186 391 Y CA -0.747 57.612 58.100 0.432 0.000 1.200 391 Y CB 1.421 40.030 38.460 0.247 0.000 1.247 391 Y HN 0.441 nan 8.280 nan 0.000 0.482 392 L N 0.673 122.313 121.223 0.695 0.000 2.079 392 L HA -0.203 4.126 4.340 -0.018 0.000 0.210 392 L C 1.759 178.876 176.870 0.412 0.000 1.081 392 L CA 1.671 56.786 54.840 0.457 0.000 0.752 392 L CB -0.330 41.882 42.059 0.255 0.000 0.896 392 L HN 0.774 nan 8.230 nan 0.000 0.433 393 D N -0.427 120.191 120.400 0.364 0.000 2.363 393 D HA -0.038 4.591 4.640 -0.018 0.000 0.226 393 D C 1.427 177.804 176.300 0.128 0.000 1.020 393 D CA 0.965 55.065 54.000 0.166 0.000 0.892 393 D CB 0.309 41.182 40.800 0.122 0.000 0.900 393 D HN 0.359 nan 8.370 nan 0.000 0.531 394 G N -0.525 108.529 108.800 0.423 0.000 2.179 394 G HA2 -0.232 3.717 3.960 -0.018 0.000 0.220 394 G HA3 -0.232 3.717 3.960 -0.018 0.000 0.220 394 G C 0.383 175.764 174.900 0.801 0.000 0.990 394 G CA 0.172 45.532 45.100 0.433 0.000 0.646 394 G HN 0.447 nan 8.290 nan 0.000 0.517 395 T N 1.343 116.285 114.554 0.647 0.000 2.919 395 T HA 0.570 4.910 4.350 -0.018 0.000 0.302 395 T C 0.505 175.574 174.700 0.616 0.000 1.031 395 T CA 0.455 62.872 62.100 0.528 0.000 1.127 395 T CB 1.230 70.215 68.868 0.194 0.000 0.952 395 T HN 0.337 nan 8.240 nan 0.000 0.540 396 I N 2.510 123.363 120.570 0.471 0.000 2.465 396 I HA 0.499 4.658 4.170 -0.018 0.000 0.291 396 I C 0.063 176.332 176.117 0.254 0.000 1.014 396 I CA -0.652 60.825 61.300 0.294 0.000 1.093 396 I CB 1.929 40.075 38.000 0.243 0.000 1.267 396 I HN 0.614 nan 8.210 nan 0.000 0.431 397 E N 5.708 126.017 120.200 0.182 0.000 2.356 397 E HA 0.497 4.836 4.350 -0.018 0.000 0.275 397 E C -2.051 174.356 176.600 -0.322 0.000 0.904 397 E CA -0.628 55.761 56.400 -0.018 0.000 0.757 397 E CB 2.788 32.612 29.700 0.206 0.000 1.232 397 E HN 0.418 nan 8.360 nan 0.000 0.442 398 F N 2.225 121.582 119.950 -0.989 0.000 2.532 398 F HA 0.538 5.054 4.527 -0.018 0.000 0.321 398 F C -1.193 174.038 175.800 -0.948 0.000 1.089 398 F CA -0.516 56.698 58.000 -1.310 0.000 0.926 398 F CB 1.855 39.733 39.000 -1.870 0.000 1.168 398 F HN 0.531 nan 8.300 nan 0.000 0.459 399 E N 4.088 123.101 120.200 -1.980 0.000 2.290 399 E HA 0.678 5.017 4.350 -0.018 0.000 0.274 399 E C -1.940 173.784 176.600 -1.460 0.000 0.889 399 E CA -0.957 54.690 56.400 -1.255 0.000 0.760 399 E CB 1.792 31.152 29.700 -0.565 0.000 1.206 399 E HN 0.887 nan 8.360 nan 0.000 0.419 400 A N 4.361 126.591 122.820 -0.983 0.000 2.312 400 A HA 0.593 4.902 4.320 -0.018 0.000 0.326 400 A C -0.803 176.512 177.584 -0.448 0.000 1.172 400 A CA -0.677 50.883 52.037 -0.795 0.000 0.821 400 A CB 0.877 19.263 19.000 -1.023 0.000 1.166 400 A HN 0.549 nan 8.150 nan 0.000 0.493 401 K N 1.400 121.598 120.400 -0.336 0.000 2.413 401 K HA 0.585 4.894 4.320 -0.018 0.000 0.257 401 K C -0.767 175.786 176.600 -0.079 0.000 0.946 401 K CA -0.339 55.841 56.287 -0.179 0.000 0.823 401 K CB 2.209 34.638 32.500 -0.117 0.000 1.109 401 K HN 0.743 nan 8.250 nan 0.000 0.427 402 A N 2.419 125.219 122.820 -0.033 0.000 2.288 402 A HA 0.623 4.932 4.320 -0.018 0.000 0.320 402 A C -0.166 177.380 177.584 -0.064 0.000 1.217 402 A CA -0.281 51.733 52.037 -0.037 0.000 0.840 402 A CB 1.414 20.348 19.000 -0.109 0.000 1.179 402 A HN 0.679 nan 8.150 nan 0.000 0.504 403 T N 0.703 115.204 114.554 -0.088 0.000 2.612 403 T HA 0.787 5.126 4.350 -0.018 0.000 0.296 403 T C 0.340 174.969 174.700 -0.118 0.000 1.148 403 T CA 1.049 63.117 62.100 -0.053 0.000 1.077 403 T CB 0.669 69.549 68.868 0.020 0.000 1.591 403 T HN 2.666 nan 8.240 nan 0.000 0.479 404 G N -0.111 108.615 108.800 -0.124 0.000 2.445 404 G HA2 0.021 3.970 3.960 -0.018 0.000 0.212 404 G HA3 0.021 3.970 3.960 -0.018 0.000 0.212 404 G C -1.210 173.582 174.900 -0.181 0.000 1.217 404 G CA -0.197 44.798 45.100 -0.176 0.000 1.002 404 G HN 1.363 nan 8.290 nan 0.000 0.574 405 V N 1.353 121.125 119.914 -0.236 0.000 2.495 405 V HA 0.614 4.723 4.120 -0.018 0.000 0.298 405 V C 1.129 177.145 176.094 -0.131 0.000 1.031 405 V CA -0.127 62.057 62.300 -0.194 0.000 0.871 405 V CB 1.132 32.749 31.823 -0.343 0.000 0.988 405 V HN 1.672 nan 8.190 nan 0.000 0.432 406 V N 2.209 122.193 119.914 0.117 0.000 2.843 406 V HA 0.346 4.455 4.120 -0.018 0.000 0.305 406 V C -0.111 176.059 176.094 0.127 0.000 1.065 406 V CA -0.266 62.144 62.300 0.183 0.000 1.116 406 V CB 0.194 32.181 31.823 0.274 0.000 0.968 406 V HN 0.608 nan 8.190 nan 0.000 0.487 407 F N 4.445 124.412 119.950 0.029 0.000 2.495 407 F HA 0.516 5.032 4.527 -0.018 0.000 0.365 407 F C 0.991 176.889 175.800 0.163 0.000 1.090 407 F CA 0.578 58.613 58.000 0.059 0.000 1.235 407 F CB 0.914 39.912 39.000 -0.003 0.000 1.119 407 F HN 1.015 nan 8.300 nan 0.000 0.562 408 T N 1.533 116.071 114.554 -0.027 0.000 2.938 408 T HA 0.843 5.182 4.350 -0.018 0.000 0.285 408 T C -0.268 174.493 174.700 0.101 0.000 1.028 408 T CA -0.218 61.932 62.100 0.085 0.000 1.005 408 T CB 1.607 70.507 68.868 0.053 0.000 1.157 408 T HN 0.752 nan 8.240 nan 0.000 0.550 409 S N -0.532 115.194 115.700 0.042 0.000 2.757 409 S HA 0.792 5.251 4.470 -0.018 0.000 0.285 409 S C -0.675 173.902 174.600 -0.038 0.000 1.196 409 S CA -0.762 57.421 58.200 -0.028 0.000 0.856 409 S CB 0.757 63.943 63.200 -0.023 0.000 1.212 409 S HN 1.434 nan 8.310 nan 0.000 0.516 410 A N 0.345 123.111 122.820 -0.091 0.000 2.286 410 A HA 0.746 5.055 4.320 -0.018 0.000 0.286 410 A C -0.959 176.677 177.584 0.087 0.000 1.097 410 A CA -0.473 51.572 52.037 0.012 0.000 0.821 410 A CB 0.059 19.082 19.000 0.038 0.000 1.076 410 A HN 0.962 nan 8.150 nan 0.000 0.490 411 F N 2.252 122.208 119.950 0.010 0.000 2.385 411 F HA 0.537 5.053 4.527 -0.018 0.000 0.360 411 F C -2.157 173.682 175.800 0.066 0.000 1.122 411 F CA -2.511 55.495 58.000 0.009 0.000 1.090 411 F CB 1.096 40.088 39.000 -0.013 0.000 1.150 411 F HN 0.307 nan 8.300 nan 0.000 0.472 412 P HA -0.007 nan 4.420 nan 0.000 0.264 412 P C 0.379 177.517 177.300 -0.271 0.000 1.183 412 P CA 0.314 63.251 63.100 -0.272 0.000 0.763 412 P CB 0.761 32.275 31.700 -0.310 0.000 0.807 413 E N 2.658 122.802 120.200 -0.093 0.000 2.085 413 E HA -0.131 4.208 4.350 -0.018 0.000 0.194 413 E C 1.771 178.343 176.600 -0.047 0.000 0.994 413 E CA 1.997 58.377 56.400 -0.033 0.000 0.801 413 E CB -0.900 28.779 29.700 -0.035 0.000 0.743 413 E HN 0.596 nan 8.360 nan 0.000 0.453 414 G N -0.841 107.904 108.800 -0.091 0.000 3.327 414 G HA2 0.413 4.362 3.960 -0.018 0.000 0.240 414 G HA3 0.413 4.362 3.960 -0.018 0.000 0.240 414 G C 0.529 175.370 174.900 -0.098 0.000 1.222 414 G CA 0.204 45.263 45.100 -0.069 0.000 0.871 414 G HN 0.591 nan 8.290 nan 0.000 0.525 415 G N -0.974 107.712 108.800 -0.191 0.000 2.782 415 G HA2 0.187 4.136 3.960 -0.018 0.000 0.228 415 G HA3 0.187 4.136 3.960 -0.018 0.000 0.228 415 G C -0.259 174.430 174.900 -0.351 0.000 1.372 415 G CA 0.024 44.991 45.100 -0.221 0.000 0.862 415 G HN 1.387 nan 8.290 nan 0.000 0.547 416 S N -1.356 114.218 115.700 -0.211 0.000 2.547 416 S HA 0.620 5.079 4.470 -0.018 0.000 0.270 416 S C -0.405 174.169 174.600 -0.044 0.000 1.150 416 S CA 0.351 58.442 58.200 -0.181 0.000 0.850 416 S CB 1.792 64.802 63.200 -0.316 0.000 1.118 416 S HN 0.622 nan 8.310 nan 0.000 0.461 417 D N 2.214 122.585 120.400 -0.048 0.000 2.369 417 D HA 0.228 4.857 4.640 -0.018 0.000 0.211 417 D C 0.142 176.445 176.300 0.004 0.000 1.077 417 D CA 0.308 54.332 54.000 0.040 0.000 0.842 417 D CB 0.121 40.955 40.800 0.056 0.000 0.947 417 D HN 0.603 nan 8.370 nan 0.000 0.509 418 N N -0.370 118.151 118.700 -0.297 0.000 2.143 418 N HA 0.257 4.986 4.740 -0.018 0.000 0.229 418 N C -0.346 174.426 175.510 -1.231 0.000 1.294 418 N CA 0.010 52.688 53.050 -0.621 0.000 0.883 418 N CB 1.749 40.122 38.487 -0.189 0.000 1.148 418 N HN -0.007 nan 8.380 nan 0.000 0.511 419 I N 0.310 120.285 120.570 -0.992 0.000 2.722 419 I HA 0.376 4.535 4.170 -0.018 0.000 0.295 419 I C -0.699 175.382 176.117 -0.060 0.000 1.161 419 I CA -1.016 59.982 61.300 -0.504 0.000 1.032 419 I CB 2.238 40.168 38.000 -0.117 0.000 1.244 419 I HN -0.047 nan 8.210 nan 0.000 0.421 420 S N 3.546 119.358 115.700 0.187 0.000 2.578 420 S HA 0.524 4.983 4.470 -0.018 0.000 0.301 420 S C -0.771 173.819 174.600 -0.017 0.000 1.091 420 S CA -0.797 57.557 58.200 0.257 0.000 1.032 420 S CB 2.066 65.492 63.200 0.377 0.000 1.064 420 S HN 0.672 nan 8.310 nan 0.000 0.508 421 Q N 1.112 120.643 119.800 -0.448 0.000 2.274 421 Q HA 0.455 4.784 4.340 -0.018 0.000 0.256 421 Q C -0.182 175.615 176.000 -0.339 0.000 0.927 421 Q CA -0.544 54.822 55.803 -0.728 0.000 0.939 421 Q CB 0.756 28.655 28.738 -1.399 0.000 1.201 421 Q HN 0.874 nan 8.270 nan 0.000 0.426 422 L N 2.249 123.292 121.223 -0.300 0.000 2.470 422 L HA 0.523 4.853 4.340 -0.018 0.000 0.219 422 L C 0.398 177.117 176.870 -0.251 0.000 1.071 422 L CA 0.134 54.823 54.840 -0.251 0.000 0.850 422 L CB 0.501 42.311 42.059 -0.415 0.000 1.040 422 L HN 0.640 nan 8.230 nan 0.000 0.475 423 A N -1.150 121.496 122.820 -0.290 0.000 2.586 423 A HA 0.606 4.915 4.320 -0.018 0.000 0.290 423 A C -2.738 174.769 177.584 -0.129 0.000 1.086 423 A CA -1.006 50.933 52.037 -0.163 0.000 0.665 423 A CB 0.312 19.218 19.000 -0.156 0.000 1.279 423 A HN -0.241 nan 8.150 nan 0.000 0.423 424 P HA 0.243 nan 4.420 nan 0.000 0.255 424 P C 1.032 178.341 177.300 0.015 0.000 1.173 424 P CA 2.542 65.636 63.100 -0.010 0.000 0.780 424 P CB 0.141 31.853 31.700 0.020 0.000 0.758 425 G N 2.348 111.181 108.800 0.055 0.000 2.189 425 G HA2 -0.283 3.666 3.960 -0.018 0.000 0.267 425 G HA3 -0.283 3.666 3.960 -0.018 0.000 0.267 425 G C -0.126 174.831 174.900 0.096 0.000 0.975 425 G CA -0.098 45.074 45.100 0.120 0.000 0.644 425 G HN 0.564 nan 8.290 nan 0.000 0.537 426 L N 1.670 122.882 121.223 -0.019 0.000 2.272 426 L HA 0.796 5.125 4.340 -0.018 0.000 0.289 426 L C 0.683 177.490 176.870 -0.105 0.000 1.032 426 L CA 0.131 54.902 54.840 -0.115 0.000 0.810 426 L CB 1.152 43.012 42.059 -0.331 0.000 1.205 426 L HN 0.374 nan 8.230 nan 0.000 0.422 427 G N 3.358 112.158 108.800 -0.000 0.000 2.537 427 G HA2 0.777 4.726 3.960 -0.018 0.000 0.323 427 G HA3 0.777 4.726 3.960 -0.018 0.000 0.323 427 G C -1.612 173.305 174.900 0.028 0.000 1.207 427 G CA -0.344 44.811 45.100 0.092 0.000 0.976 427 G HN 0.954 nan 8.290 nan 0.000 0.487 428 A N 1.273 124.148 122.820 0.091 0.000 2.522 428 A HA 0.742 5.051 4.320 -0.018 0.000 0.285 428 A C -2.832 174.876 177.584 0.208 0.000 1.198 428 A CA -1.268 50.856 52.037 0.145 0.000 0.742 428 A CB 1.559 20.633 19.000 0.123 0.000 1.176 428 A HN 0.400 nan 8.150 nan 0.000 0.444 429 P HA 0.176 nan 4.420 nan 0.000 0.266 429 P C -0.332 177.213 177.300 0.407 0.000 1.195 429 P CA 0.285 63.514 63.100 0.214 0.000 0.768 429 P CB 0.177 32.049 31.700 0.287 0.000 0.838 430 F N 3.360 123.410 119.950 0.166 0.000 2.496 430 F HA 0.236 4.752 4.527 -0.018 0.000 0.344 430 F C 1.633 177.357 175.800 -0.127 0.000 1.155 430 F CA 0.516 58.500 58.000 -0.025 0.000 1.302 430 F CB -0.388 38.606 39.000 -0.010 0.000 1.159 430 F HN 0.504 nan 8.300 nan 0.000 0.595 431 H N -0.622 118.285 119.070 -0.271 0.000 2.887 431 H HA 0.467 5.013 4.556 -0.018 0.000 0.290 431 H C -1.847 173.154 175.328 -0.544 0.000 1.429 431 H CA -1.103 54.587 56.048 -0.597 0.000 1.137 431 H CB 1.270 30.262 29.762 -1.284 0.000 1.824 431 H HN 0.585 nan 8.280 nan 0.000 0.520 432 Q N -0.016 119.439 119.800 -0.575 0.000 2.458 432 Q HA 0.401 4.730 4.340 -0.018 0.000 0.282 432 Q C -1.100 174.552 176.000 -0.580 0.000 1.106 432 Q CA -1.010 54.497 55.803 -0.495 0.000 0.814 432 Q CB 2.860 31.383 28.738 -0.358 0.000 1.425 432 Q HN 0.534 nan 8.270 nan 0.000 0.437 433 H N 1.163 120.105 119.070 -0.214 0.000 2.991 433 H HA 0.431 4.976 4.556 -0.018 0.000 0.304 433 H C -1.015 174.092 175.328 -0.367 0.000 1.040 433 H CA -0.173 55.694 56.048 -0.301 0.000 1.410 433 H CB 0.602 30.312 29.762 -0.087 0.000 1.529 433 H HN 0.447 nan 8.280 nan 0.000 0.509 434 I N 3.974 124.277 120.570 -0.444 0.000 2.389 434 I HA 0.245 4.404 4.170 -0.018 0.000 0.288 434 I C -0.504 175.320 176.117 -0.489 0.000 0.999 434 I CA -0.599 60.491 61.300 -0.350 0.000 1.129 434 I CB 1.005 38.833 38.000 -0.286 0.000 1.288 434 I HN 0.168 nan 8.210 nan 0.000 0.444 435 F N 3.181 122.823 119.950 -0.512 0.000 2.483 435 F HA 0.545 5.061 4.527 -0.018 0.000 0.329 435 F C 0.613 176.164 175.800 -0.415 0.000 1.064 435 F CA -0.887 56.762 58.000 -0.584 0.000 0.986 435 F CB 1.717 40.057 39.000 -1.099 0.000 1.218 435 F HN 0.258 nan 8.300 nan 0.000 0.484 436 S N 0.998 116.696 115.700 -0.004 0.000 2.707 436 S HA 0.779 5.238 4.470 -0.018 0.000 0.303 436 S C -0.987 173.704 174.600 0.152 0.000 1.132 436 S CA -0.536 57.709 58.200 0.074 0.000 1.046 436 S CB 0.530 63.616 63.200 -0.190 0.000 1.004 436 S HN 0.849 nan 8.310 nan 0.000 0.483 437 A N 4.818 127.790 122.820 0.253 0.000 2.260 437 A HA 0.629 4.938 4.320 -0.018 0.000 0.308 437 A C 0.109 177.704 177.584 0.019 0.000 1.254 437 A CA -0.687 51.455 52.037 0.175 0.000 0.874 437 A CB 0.388 19.464 19.000 0.127 0.000 1.153 437 A HN 0.853 nan 8.150 nan 0.000 0.527 438 R N 3.464 123.906 120.500 -0.095 0.000 2.207 438 R HA 0.530 4.859 4.340 -0.018 0.000 0.334 438 R C -1.532 174.570 176.300 -0.331 0.000 1.013 438 R CA -0.327 55.507 56.100 -0.445 0.000 0.858 438 R CB 0.270 30.177 30.300 -0.655 0.000 1.094 438 R HN 0.711 nan 8.270 nan 0.000 0.457 439 L N 4.575 125.597 121.223 -0.335 0.000 2.337 439 L HA 0.250 4.579 4.340 -0.018 0.000 0.269 439 L C -0.475 176.274 176.870 -0.202 0.000 1.018 439 L CA -0.869 53.856 54.840 -0.191 0.000 0.876 439 L CB 1.436 43.447 42.059 -0.080 0.000 1.236 439 L HN 0.561 nan 8.230 nan 0.000 0.436 440 D N 4.907 125.198 120.400 -0.182 0.000 2.383 440 D HA 0.151 4.780 4.640 -0.018 0.000 0.245 440 D C 0.193 176.480 176.300 -0.021 0.000 1.263 440 D CA -0.211 53.738 54.000 -0.085 0.000 0.936 440 D CB 0.607 41.374 40.800 -0.055 0.000 1.053 440 D HN 0.145 nan 8.370 nan 0.000 0.507 441 M N 2.282 121.888 119.600 0.011 0.000 2.240 441 M HA 0.374 4.844 4.480 -0.018 0.000 0.333 441 M C 0.409 176.748 176.300 0.064 0.000 1.110 441 M CA -0.449 54.862 55.300 0.019 0.000 1.173 441 M CB 0.800 33.420 32.600 0.034 0.000 1.458 441 M HN 0.489 nan 8.290 nan 0.000 0.458 442 A N 3.299 126.093 122.820 -0.043 0.000 3.368 442 A HA 0.377 4.686 4.320 -0.018 0.000 0.211 442 A C -0.383 177.125 177.584 -0.126 0.000 1.004 442 A CA -0.554 51.382 52.037 -0.168 0.000 1.059 442 A CB 0.100 18.843 19.000 -0.428 0.000 1.298 442 A HN 0.617 nan 8.150 nan 0.000 0.613 443 I N 1.595 122.151 120.570 -0.024 0.000 2.680 443 I HA 0.037 4.196 4.170 -0.018 0.000 0.286 443 I C 0.467 176.649 176.117 0.109 0.000 1.144 443 I CA 0.874 62.222 61.300 0.079 0.000 1.370 443 I CB -0.856 37.229 38.000 0.142 0.000 1.420 443 I HN 0.491 nan 8.210 nan 0.000 0.540 444 D N 4.968 125.457 120.400 0.148 0.000 2.882 444 D HA -0.167 4.462 4.640 -0.018 0.000 0.229 444 D C 0.620 176.889 176.300 -0.052 0.000 1.167 444 D CA 1.703 55.723 54.000 0.035 0.000 0.759 444 D CB -0.708 40.071 40.800 -0.034 0.000 1.088 444 D HN 1.115 nan 8.370 nan 0.000 0.425 445 G N -2.394 106.328 108.800 -0.130 0.000 2.354 445 G HA2 -0.023 3.926 3.960 -0.018 0.000 0.582 445 G HA3 -0.023 3.926 3.960 -0.018 0.000 0.582 445 G C 0.161 174.930 174.900 -0.220 0.000 1.316 445 G CA -0.379 44.589 45.100 -0.219 0.000 0.995 445 G HN 0.006 nan 8.290 nan 0.000 0.573 446 F N 0.767 120.711 119.950 -0.010 0.000 2.710 446 F HA 0.215 4.732 4.527 -0.018 0.000 0.298 446 F C 2.292 178.093 175.800 0.002 0.000 1.137 446 F CA 1.176 59.164 58.000 -0.019 0.000 1.444 446 F CB 0.225 39.198 39.000 -0.044 0.000 1.111 446 F HN 0.280 nan 8.300 nan 0.000 0.580 447 T N 2.812 117.465 114.554 0.164 0.000 2.978 447 T HA 0.152 4.491 4.350 -0.018 0.000 0.278 447 T C -0.056 174.701 174.700 0.096 0.000 0.945 447 T CA -0.068 62.101 62.100 0.115 0.000 1.070 447 T CB -0.492 68.424 68.868 0.079 0.000 0.948 447 T HN -0.002 nan 8.240 nan 0.000 0.617 448 N N 2.765 121.530 118.700 0.108 0.000 2.469 448 N HA 0.691 5.420 4.740 -0.018 0.000 0.286 448 N C -0.302 175.264 175.510 0.093 0.000 1.275 448 N CA -1.013 52.096 53.050 0.098 0.000 0.790 448 N CB 2.029 40.580 38.487 0.106 0.000 1.446 448 N HN 0.604 nan 8.380 nan 0.000 0.501 449 R N -1.663 118.893 120.500 0.093 0.000 2.710 449 R HA 0.721 5.050 4.340 -0.018 0.000 0.270 449 R C -1.864 174.498 176.300 0.103 0.000 1.021 449 R CA -0.833 55.322 56.100 0.092 0.000 0.889 449 R CB 0.662 31.009 30.300 0.079 0.000 1.243 449 R HN 0.185 nan 8.270 nan 0.000 0.464 450 V N 1.301 121.281 119.914 0.111 0.000 2.495 450 V HA 0.413 4.522 4.120 -0.018 0.000 0.298 450 V C -0.470 175.711 176.094 0.145 0.000 1.031 450 V CA -0.693 61.689 62.300 0.137 0.000 0.871 450 V CB 1.698 33.606 31.823 0.142 0.000 0.988 450 V HN 0.757 nan 8.190 nan 0.000 0.432 451 E N 2.516 122.809 120.200 0.155 0.000 2.222 451 E HA 0.428 4.768 4.350 -0.018 0.000 0.267 451 E C -0.889 175.800 176.600 0.148 0.000 0.884 451 E CA -0.632 55.843 56.400 0.126 0.000 0.764 451 E CB 2.749 32.493 29.700 0.073 0.000 1.169 451 E HN 0.728 nan 8.360 nan 0.000 0.413 452 E N 2.744 123.018 120.200 0.123 0.000 2.167 452 E HA 0.069 4.408 4.350 -0.018 0.000 0.284 452 E C -0.980 175.545 176.600 -0.125 0.000 1.016 452 E CA -0.274 56.117 56.400 -0.015 0.000 0.817 452 E CB 0.902 30.653 29.700 0.086 0.000 1.080 452 E HN 0.411 nan 8.360 nan 0.000 0.397 453 E N 4.282 124.330 120.200 -0.253 0.000 2.133 453 E HA 0.187 4.526 4.350 -0.018 0.000 0.274 453 E C -1.271 175.200 176.600 -0.214 0.000 0.930 453 E CA -0.790 55.502 56.400 -0.179 0.000 0.770 453 E CB 0.950 30.563 29.700 -0.144 0.000 1.104 453 E HN 0.407 nan 8.360 nan 0.000 0.403 454 D N 2.559 122.881 120.400 -0.130 0.000 2.457 454 D HA 0.267 4.897 4.640 -0.018 0.000 0.240 454 D C -0.561 175.705 176.300 -0.057 0.000 1.041 454 D CA -0.552 53.381 54.000 -0.112 0.000 0.861 454 D CB 2.183 42.932 40.800 -0.085 0.000 1.394 454 D HN 0.165 nan 8.370 nan 0.000 0.473 455 V N 1.328 121.212 119.914 -0.051 0.000 2.811 455 V HA 0.230 4.339 4.120 -0.018 0.000 0.302 455 V C 0.167 176.264 176.094 0.005 0.000 1.063 455 V CA -0.255 62.040 62.300 -0.008 0.000 1.088 455 V CB 1.479 33.273 31.823 -0.049 0.000 0.982 455 V HN 0.263 nan 8.190 nan 0.000 0.485 456 V N 5.972 125.919 119.914 0.055 0.000 2.444 456 V HA 0.456 4.565 4.120 -0.018 0.000 0.294 456 V C 0.172 176.315 176.094 0.082 0.000 1.022 456 V CA -0.800 61.529 62.300 0.049 0.000 0.850 456 V CB 1.636 33.485 31.823 0.044 0.000 0.992 456 V HN 0.810 nan 8.190 nan 0.000 0.426 457 R N 3.364 123.893 120.500 0.047 0.000 2.459 457 R HA 0.591 4.920 4.340 -0.018 0.000 0.281 457 R C -0.575 175.759 176.300 0.057 0.000 1.050 457 R CA -0.521 55.614 56.100 0.058 0.000 1.055 457 R CB 1.243 31.553 30.300 0.017 0.000 1.045 457 R HN 0.672 nan 8.270 nan 0.000 0.495 458 Q N 0.312 120.154 119.800 0.070 0.000 2.377 458 Q HA 0.306 4.635 4.340 -0.018 0.000 0.271 458 Q C -0.820 175.202 176.000 0.037 0.000 1.077 458 Q CA -0.699 55.133 55.803 0.048 0.000 0.820 458 Q CB 2.652 31.420 28.738 0.050 0.000 1.347 458 Q HN 0.456 nan 8.270 nan 0.000 0.444 459 T N 2.021 116.590 114.554 0.024 0.000 2.889 459 T HA 0.263 4.602 4.350 -0.018 0.000 0.291 459 T C 0.030 174.740 174.700 0.017 0.000 0.995 459 T CA -0.422 61.689 62.100 0.018 0.000 1.092 459 T CB 0.536 69.411 68.868 0.013 0.000 0.954 459 T HN 0.466 nan 8.240 nan 0.000 0.506 460 M N 3.028 122.638 119.600 0.016 0.000 2.248 460 M HA 0.437 4.906 4.480 -0.018 0.000 0.345 460 M C 0.476 176.781 176.300 0.009 0.000 1.243 460 M CA 0.900 56.209 55.300 0.014 0.000 1.090 460 M CB -0.467 32.141 32.600 0.013 0.000 1.683 460 M HN 0.918 nan 8.290 nan 0.000 0.450 461 G N 4.501 113.305 108.800 0.007 0.000 2.344 461 G HA2 0.199 4.148 3.960 -0.018 0.000 0.282 461 G HA3 0.199 4.148 3.960 -0.018 0.000 0.282 461 G C -3.386 171.516 174.900 0.003 0.000 1.281 461 G CA -1.121 43.982 45.100 0.005 0.000 0.877 461 G HN 0.416 nan 8.290 nan 0.000 0.494 462 P HA 0.317 nan 4.420 nan 0.000 0.260 462 P C 0.972 178.272 177.300 -0.001 0.000 1.185 462 P CA 2.370 65.470 63.100 0.000 0.000 0.763 462 P CB 0.668 32.368 31.700 -0.000 0.000 0.776 463 G N 3.021 111.820 108.800 -0.003 0.000 2.199 463 G HA2 -0.267 3.682 3.960 -0.018 0.000 0.254 463 G HA3 -0.267 3.682 3.960 -0.018 0.000 0.254 463 G C 0.528 175.424 174.900 -0.006 0.000 0.982 463 G CA 0.280 45.377 45.100 -0.006 0.000 0.632 463 G HN 0.642 nan 8.290 nan 0.000 0.529 464 N N 0.064 118.763 118.700 -0.002 0.000 2.604 464 N HA 0.339 5.069 4.740 -0.018 0.000 0.284 464 N C 0.978 176.491 175.510 0.004 0.000 1.716 464 N CA 0.449 53.500 53.050 0.001 0.000 0.859 464 N CB 0.420 38.910 38.487 0.005 0.000 1.403 464 N HN 0.144 nan 8.380 nan 0.000 0.501 465 E N 0.073 120.274 120.200 0.002 0.000 2.160 465 E HA -0.052 4.287 4.350 -0.018 0.000 0.195 465 E C 1.227 177.831 176.600 0.006 0.000 0.991 465 E CA 1.248 57.651 56.400 0.003 0.000 0.810 465 E CB 0.108 29.809 29.700 0.001 0.000 0.742 465 E HN 0.392 nan 8.360 nan 0.000 0.466 466 R N -0.873 119.631 120.500 0.007 0.000 2.297 466 R HA 0.140 4.469 4.340 -0.018 0.000 0.197 466 R C 0.788 177.098 176.300 0.016 0.000 0.943 466 R CA 0.534 56.640 56.100 0.010 0.000 1.038 466 R CB 0.321 30.627 30.300 0.009 0.000 0.957 466 R HN 0.240 nan 8.270 nan 0.000 0.484 467 G N 2.359 111.170 108.800 0.018 0.000 2.273 467 G HA2 -0.341 3.608 3.960 -0.018 0.000 0.280 467 G HA3 -0.341 3.608 3.960 -0.018 0.000 0.280 467 G C 0.253 175.178 174.900 0.042 0.000 1.047 467 G CA 0.891 46.007 45.100 0.027 0.000 0.869 467 G HN 0.672 nan 8.290 nan 0.000 0.502 468 N N -0.952 117.775 118.700 0.044 0.000 2.348 468 N HA 0.517 5.246 4.740 -0.018 0.000 0.183 468 N C 1.285 176.853 175.510 0.097 0.000 1.094 468 N CA 0.678 53.769 53.050 0.069 0.000 0.885 468 N CB 0.304 38.819 38.487 0.045 0.000 1.065 468 N HN 0.889 nan 8.380 nan 0.000 0.472 469 A N 0.605 123.453 122.820 0.047 0.000 2.498 469 A HA 0.414 4.724 4.320 -0.018 0.000 0.239 469 A C -0.497 177.160 177.584 0.122 0.000 1.068 469 A CA -0.121 51.921 52.037 0.008 0.000 0.766 469 A CB -0.386 18.601 19.000 -0.021 0.000 1.003 469 A HN 0.510 nan 8.150 nan 0.000 0.497 470 F N 0.239 120.184 119.950 -0.009 0.000 2.631 470 F HA 0.806 5.323 4.527 -0.016 0.000 0.308 470 F C -0.275 175.518 175.800 -0.012 0.000 1.097 470 F CA -0.430 57.563 58.000 -0.011 0.000 0.952 470 F CB 0.983 39.976 39.000 -0.012 0.000 1.307 470 F HN 0.610 nan 8.300 nan 0.000 0.450 471 S N 1.108 116.945 115.700 0.230 0.000 3.331 471 S HA 0.862 5.321 4.470 -0.018 0.000 0.316 471 S C -1.465 173.224 174.600 0.149 0.000 1.104 471 S CA -0.695 57.563 58.200 0.098 0.000 0.977 471 S CB 1.446 64.662 63.200 0.027 0.000 1.370 471 S HN 1.161 nan 8.310 nan 0.000 0.731 472 R N 0.524 121.064 120.500 0.067 0.000 2.692 472 R HA 0.588 4.917 4.340 -0.018 0.000 0.269 472 R C -2.045 174.265 176.300 0.015 0.000 1.030 472 R CA -0.914 55.213 56.100 0.044 0.000 0.882 472 R CB 1.182 31.506 30.300 0.040 0.000 1.250 472 R HN 0.730 nan 8.270 nan 0.000 0.465 473 K N 1.501 121.900 120.400 -0.001 0.000 2.477 473 K HA 0.602 4.912 4.320 -0.018 0.000 0.255 473 K C -1.156 175.434 176.600 -0.016 0.000 0.952 473 K CA -1.158 55.126 56.287 -0.005 0.000 0.826 473 K CB 2.804 35.302 32.500 -0.003 0.000 1.331 473 K HN 0.625 nan 8.250 nan 0.000 0.437 474 R N 0.910 121.406 120.500 -0.006 0.000 2.561 474 R HA 0.384 4.714 4.340 -0.018 0.000 0.297 474 R C -1.177 175.130 176.300 0.012 0.000 0.969 474 R CA -0.911 55.187 56.100 -0.004 0.000 0.879 474 R CB 2.585 32.888 30.300 0.004 0.000 1.178 474 R HN 0.661 nan 8.270 nan 0.000 0.445 475 T N 2.259 116.826 114.554 0.021 0.000 2.815 475 T HA 0.220 4.559 4.350 -0.018 0.000 0.289 475 T C -0.099 174.637 174.700 0.059 0.000 1.000 475 T CA -0.577 61.545 62.100 0.037 0.000 0.958 475 T CB 1.519 70.409 68.868 0.037 0.000 0.944 475 T HN 0.145 nan 8.240 nan 0.000 0.442 476 V N 5.291 125.237 119.914 0.055 0.000 2.555 476 V HA 0.207 4.316 4.120 -0.018 0.000 0.286 476 V C 0.390 176.526 176.094 0.070 0.000 1.044 476 V CA -0.463 61.877 62.300 0.066 0.000 1.026 476 V CB 0.396 32.252 31.823 0.054 0.000 0.981 476 V HN 0.715 nan 8.190 nan 0.000 0.480 477 L N 5.616 126.891 121.223 0.087 0.000 2.283 477 L HA 0.265 4.594 4.340 -0.018 0.000 0.287 477 L C 1.471 178.383 176.870 0.071 0.000 1.073 477 L CA -0.110 54.779 54.840 0.081 0.000 0.822 477 L CB 0.902 43.019 42.059 0.096 0.000 1.186 477 L HN 0.895 nan 8.230 nan 0.000 0.436 478 T N -0.591 113.998 114.554 0.058 0.000 3.051 478 T HA 0.182 4.521 4.350 -0.018 0.000 0.255 478 T C 0.921 175.652 174.700 0.053 0.000 1.085 478 T CA 0.021 62.153 62.100 0.053 0.000 1.109 478 T CB 0.354 69.248 68.868 0.044 0.000 0.921 478 T HN 0.344 nan 8.240 nan 0.000 0.488 479 R N 0.631 121.162 120.500 0.052 0.000 2.725 479 R HA 0.410 4.739 4.340 -0.018 0.000 0.277 479 R C 0.474 176.809 176.300 0.058 0.000 0.987 479 R CA -0.512 55.619 56.100 0.051 0.000 0.901 479 R CB 1.653 31.977 30.300 0.041 0.000 1.207 479 R HN 0.218 nan 8.270 nan 0.000 0.463 480 E N 0.452 120.692 120.200 0.067 0.000 2.130 480 E HA -0.221 4.118 4.350 -0.018 0.000 0.196 480 E C 1.387 178.025 176.600 0.064 0.000 0.998 480 E CA 2.176 58.626 56.400 0.082 0.000 0.806 480 E CB 0.142 29.899 29.700 0.096 0.000 0.738 480 E HN 0.637 nan 8.360 nan 0.000 0.459 481 S N 0.679 116.407 115.700 0.047 0.000 2.442 481 S HA -0.159 4.300 4.470 -0.018 0.000 0.236 481 S C 1.422 176.027 174.600 0.010 0.000 1.007 481 S CA 1.009 59.226 58.200 0.028 0.000 0.965 481 S CB -0.116 63.098 63.200 0.024 0.000 0.773 481 S HN 0.261 nan 8.310 nan 0.000 0.504 482 E N 0.614 120.824 120.200 0.018 0.000 2.465 482 E HA 0.414 4.754 4.350 -0.018 0.000 0.195 482 E C 0.804 177.410 176.600 0.009 0.000 1.028 482 E CA 0.258 56.665 56.400 0.011 0.000 0.899 482 E CB 0.503 30.218 29.700 0.025 0.000 1.032 482 E HN 0.624 nan 8.360 nan 0.000 0.468 483 A N 1.008 123.833 122.820 0.007 0.000 2.610 483 A HA 0.233 4.543 4.320 -0.018 0.000 0.286 483 A C 0.235 177.767 177.584 -0.086 0.000 1.306 483 A CA -0.205 51.835 52.037 0.005 0.000 0.942 483 A CB 0.322 19.361 19.000 0.065 0.000 1.112 483 A HN 0.035 nan 8.150 nan 0.000 0.527 484 V N 2.847 122.645 119.914 -0.193 0.000 2.294 484 V HA 0.374 4.484 4.120 -0.018 0.000 0.272 484 V C -0.403 175.475 176.094 -0.359 0.000 1.027 484 V CA -0.687 61.318 62.300 -0.491 0.000 0.823 484 V CB 0.436 31.878 31.823 -0.636 0.000 1.030 484 V HN 0.473 nan 8.190 nan 0.000 0.457 485 R N 3.101 123.405 120.500 -0.327 0.000 2.732 485 R HA 0.708 5.037 4.340 -0.018 0.000 0.278 485 R C -0.390 175.870 176.300 -0.066 0.000 0.976 485 R CA -0.706 55.330 56.100 -0.107 0.000 0.963 485 R CB 1.841 32.191 30.300 0.084 0.000 1.150 485 R HN 0.624 nan 8.270 nan 0.000 0.478 486 E N 0.363 120.621 120.200 0.098 0.000 2.235 486 E HA 0.568 4.907 4.350 -0.018 0.000 0.265 486 E C -0.602 176.194 176.600 0.327 0.000 0.940 486 E CA -0.933 55.549 56.400 0.136 0.000 0.819 486 E CB 2.117 31.856 29.700 0.065 0.000 1.206 486 E HN 0.635 nan 8.360 nan 0.000 0.409 487 A N 1.471 124.482 122.820 0.320 0.000 2.313 487 A HA 0.256 4.565 4.320 -0.018 0.000 0.261 487 A C -0.259 177.419 177.584 0.157 0.000 1.090 487 A CA -0.031 52.216 52.037 0.351 0.000 0.807 487 A CB 0.432 19.630 19.000 0.330 0.000 1.055 487 A HN 0.596 nan 8.150 nan 0.000 0.492 488 D N 0.118 120.559 120.400 0.068 0.000 2.527 488 D HA 0.406 5.035 4.640 -0.018 0.000 0.242 488 D C 0.690 176.982 176.300 -0.013 0.000 1.285 488 D CA 0.286 54.296 54.000 0.017 0.000 0.886 488 D CB 0.767 41.559 40.800 -0.014 0.000 1.402 488 D HN 0.473 nan 8.370 nan 0.000 0.528 489 A N 2.953 125.784 122.820 0.020 0.000 1.933 489 A HA -0.168 4.141 4.320 -0.018 0.000 0.218 489 A C 2.076 179.651 177.584 -0.014 0.000 1.175 489 A CA 1.334 53.378 52.037 0.012 0.000 0.628 489 A CB -0.223 18.800 19.000 0.038 0.000 0.814 489 A HN 0.507 nan 8.150 nan 0.000 0.444 490 R N -0.255 120.237 120.500 -0.014 0.000 2.105 490 R HA -0.139 4.190 4.340 -0.018 0.000 0.239 490 R C 1.689 177.961 176.300 -0.046 0.000 1.135 490 R CA 1.958 58.042 56.100 -0.027 0.000 0.967 490 R CB -0.340 29.949 30.300 -0.019 0.000 0.861 490 R HN 0.630 nan 8.270 nan 0.000 0.442 491 T N -3.482 111.041 114.554 -0.052 0.000 3.186 491 T HA 0.230 4.570 4.350 -0.018 0.000 0.257 491 T C 0.867 175.514 174.700 -0.087 0.000 1.029 491 T CA 0.206 62.265 62.100 -0.068 0.000 0.916 491 T CB 0.746 69.577 68.868 -0.062 0.000 1.041 491 T HN 0.365 nan 8.240 nan 0.000 0.562 492 G N 2.420 111.171 108.800 -0.081 0.000 2.341 492 G HA2 -0.348 3.601 3.960 -0.018 0.000 0.292 492 G HA3 -0.348 3.601 3.960 -0.018 0.000 0.292 492 G C 0.042 174.850 174.900 -0.153 0.000 1.021 492 G CA 0.253 45.301 45.100 -0.085 0.000 0.905 492 G HN 0.914 nan 8.290 nan 0.000 0.508 493 R N 0.541 120.911 120.500 -0.216 0.000 2.522 493 R HA 0.426 4.755 4.340 -0.018 0.000 0.284 493 R C 0.850 176.766 176.300 -0.641 0.000 1.032 493 R CA 0.970 56.818 56.100 -0.419 0.000 1.049 493 R CB 0.230 30.266 30.300 -0.440 0.000 0.956 493 R HN 0.466 nan 8.270 nan 0.000 0.422 494 T N 0.709 114.808 114.554 -0.758 0.000 2.838 494 T HA 0.530 4.870 4.350 -0.018 0.000 0.292 494 T C -1.020 173.168 174.700 -0.853 0.000 1.113 494 T CA -0.960 60.701 62.100 -0.732 0.000 1.008 494 T CB 1.244 69.835 68.868 -0.462 0.000 1.259 494 T HN 0.556 nan 8.240 nan 0.000 0.520 495 W N 0.680 121.917 121.300 -0.104 0.000 2.739 495 W HA 0.588 5.237 4.660 -0.018 0.000 0.331 495 W C -1.096 175.398 176.519 -0.041 0.000 1.049 495 W CA -1.187 56.126 57.345 -0.054 0.000 1.234 495 W CB 1.641 31.077 29.460 -0.040 0.000 1.404 495 W HN 0.585 nan 8.180 nan 0.000 0.477 496 I N 4.442 125.110 120.570 0.162 0.000 2.354 496 I HA 0.282 4.441 4.170 -0.018 0.000 0.292 496 I C -0.339 175.867 176.117 0.148 0.000 0.989 496 I CA -0.984 60.389 61.300 0.122 0.000 1.188 496 I CB 1.303 39.343 38.000 0.068 0.000 1.342 496 I HN 0.079 nan 8.210 nan 0.000 0.457 497 I N 6.183 126.847 120.570 0.156 0.000 2.312 497 I HA 0.260 4.419 4.170 -0.018 0.000 0.290 497 I C 0.400 176.604 176.117 0.146 0.000 1.008 497 I CA 0.320 61.705 61.300 0.141 0.000 1.226 497 I CB 1.223 39.299 38.000 0.127 0.000 1.371 497 I HN 0.593 nan 8.210 nan 0.000 0.468 498 S N 4.191 119.964 115.700 0.123 0.000 2.715 498 S HA 0.602 5.061 4.470 -0.018 0.000 0.307 498 S C -0.692 173.967 174.600 0.099 0.000 1.119 498 S CA -0.911 57.360 58.200 0.118 0.000 0.937 498 S CB 1.981 65.236 63.200 0.091 0.000 1.150 498 S HN 0.511 nan 8.310 nan 0.000 0.521 499 N N 1.676 120.428 118.700 0.086 0.000 2.518 499 N HA 0.373 5.102 4.740 -0.018 0.000 0.254 499 N C -2.049 173.485 175.510 0.039 0.000 0.979 499 N CA -2.277 50.810 53.050 0.061 0.000 0.930 499 N CB 1.737 40.254 38.487 0.050 0.000 1.152 499 N HN 0.391 nan 8.380 nan 0.000 0.505 500 P HA -0.059 nan 4.420 nan 0.000 0.225 500 P C 0.049 177.359 177.300 0.016 0.000 1.148 500 P CA 1.145 64.262 63.100 0.029 0.000 0.779 500 P CB 0.534 32.255 31.700 0.034 0.000 0.780 501 E N -0.822 119.387 120.200 0.015 0.000 2.481 501 E HA 0.133 4.472 4.350 -0.018 0.000 0.198 501 E C 0.276 176.869 176.600 -0.012 0.000 1.027 501 E CA -0.035 56.368 56.400 0.005 0.000 0.900 501 E CB 0.371 30.078 29.700 0.012 0.000 0.993 501 E HN 0.013 nan 8.360 nan 0.000 0.482 502 S N 1.233 116.920 115.700 -0.022 0.000 2.707 502 S HA 0.307 4.766 4.470 -0.018 0.000 0.312 502 S C -0.946 173.614 174.600 -0.067 0.000 1.116 502 S CA -0.729 57.438 58.200 -0.054 0.000 1.078 502 S CB 0.473 63.628 63.200 -0.076 0.000 0.997 502 S HN -0.038 nan 8.310 nan 0.000 0.477 503 K N 2.914 123.273 120.400 -0.068 0.000 2.208 503 K HA 0.427 4.736 4.320 -0.018 0.000 0.247 503 K C -0.026 176.519 176.600 -0.091 0.000 0.953 503 K CA -1.038 55.209 56.287 -0.066 0.000 0.837 503 K CB 0.973 33.449 32.500 -0.040 0.000 1.131 503 K HN 0.751 nan 8.250 nan 0.000 0.431 504 N N 0.474 119.121 118.700 -0.088 0.000 2.322 504 N HA 0.007 4.736 4.740 -0.018 0.000 0.270 504 N C 0.692 176.168 175.510 -0.056 0.000 1.286 504 N CA -0.424 52.571 53.050 -0.091 0.000 0.948 504 N CB 0.288 38.728 38.487 -0.078 0.000 1.164 504 N HN 0.578 nan 8.380 nan 0.000 0.551 505 R N -0.745 119.729 120.500 -0.043 0.000 2.293 505 R HA 0.020 4.349 4.340 -0.018 0.000 0.219 505 R C 0.502 176.789 176.300 -0.022 0.000 1.091 505 R CA 1.076 57.159 56.100 -0.028 0.000 1.004 505 R CB -0.690 29.598 30.300 -0.019 0.000 0.865 505 R HN 0.559 nan 8.270 nan 0.000 0.469 506 L N 1.085 122.295 121.223 -0.021 0.000 2.685 506 L HA 0.166 4.495 4.340 -0.018 0.000 0.233 506 L C 0.250 177.110 176.870 -0.017 0.000 1.173 506 L CA -0.074 54.756 54.840 -0.016 0.000 0.961 506 L CB -0.593 41.458 42.059 -0.013 0.000 1.217 506 L HN 0.450 nan 8.230 nan 0.000 0.478 507 N N 1.184 119.871 118.700 -0.021 0.000 2.741 507 N HA -0.156 4.574 4.740 -0.018 0.000 0.250 507 N C -0.372 175.128 175.510 -0.017 0.000 1.115 507 N CA 0.221 53.260 53.050 -0.019 0.000 0.724 507 N CB 0.001 38.479 38.487 -0.014 0.000 1.090 507 N HN 0.356 nan 8.380 nan 0.000 0.558 508 E N 0.275 120.464 120.200 -0.020 0.000 2.183 508 E HA 0.394 4.733 4.350 -0.018 0.000 0.271 508 E C -2.501 174.088 176.600 -0.017 0.000 0.919 508 E CA -1.721 54.671 56.400 -0.013 0.000 0.781 508 E CB 1.545 31.240 29.700 -0.009 0.000 1.140 508 E HN 0.131 nan 8.360 nan 0.000 0.402 509 P HA -0.063 nan 4.420 nan 0.000 0.264 509 P C -0.066 177.238 177.300 0.006 0.000 1.193 509 P CA -0.066 63.034 63.100 -0.000 0.000 0.763 509 P CB 0.395 32.107 31.700 0.019 0.000 0.810 510 V N 1.722 121.629 119.914 -0.012 0.000 2.811 510 V HA 0.777 4.886 4.120 -0.018 0.000 0.302 510 V C 0.534 176.721 176.094 0.154 0.000 1.063 510 V CA 0.193 62.500 62.300 0.012 0.000 1.088 510 V CB 0.439 32.164 31.823 -0.163 0.000 0.982 510 V HN 0.731 nan 8.190 nan 0.000 0.485 511 G N 2.121 111.063 108.800 0.237 0.000 2.608 511 G HA2 0.601 4.550 3.960 -0.018 0.000 0.291 511 G HA3 0.601 4.550 3.960 -0.018 0.000 0.291 511 G C -2.343 172.697 174.900 0.232 0.000 1.425 511 G CA -0.737 44.511 45.100 0.246 0.000 0.787 511 G HN 0.736 nan 8.290 nan 0.000 0.484 512 Y N -0.064 120.265 120.300 0.048 0.000 2.442 512 Y HA 0.607 5.146 4.550 -0.017 0.000 0.344 512 Y C 0.118 176.052 175.900 0.055 0.000 0.976 512 Y CA -0.810 57.302 58.100 0.021 0.000 1.040 512 Y CB 2.747 41.187 38.460 -0.034 0.000 1.228 512 Y HN 0.499 nan 8.280 nan 0.000 0.451 513 K N 4.208 124.677 120.400 0.115 0.000 2.235 513 K HA 0.502 4.811 4.320 -0.018 0.000 0.266 513 K C -1.573 175.075 176.600 0.080 0.000 0.980 513 K CA -0.841 55.476 56.287 0.050 0.000 0.849 513 K CB 0.905 33.372 32.500 -0.055 0.000 1.098 513 K HN 0.634 nan 8.250 nan 0.000 0.445 514 L N 5.105 126.373 121.223 0.075 0.000 2.281 514 L HA 0.273 4.603 4.340 -0.018 0.000 0.285 514 L C -1.335 175.542 176.870 0.011 0.000 1.074 514 L CA 0.147 55.066 54.840 0.131 0.000 0.817 514 L CB 0.379 42.519 42.059 0.136 0.000 1.168 514 L HN 0.650 nan 8.230 nan 0.000 0.434 515 H N 4.468 123.645 119.070 0.179 0.000 2.541 515 H HA 0.719 5.263 4.556 -0.018 0.000 0.316 515 H C -0.067 175.396 175.328 0.224 0.000 1.043 515 H CA 0.036 56.184 56.048 0.166 0.000 1.232 515 H CB 1.343 31.190 29.762 0.141 0.000 1.406 515 H HN 0.885 nan 8.280 nan 0.000 0.469 516 A N 2.218 125.235 122.820 0.329 0.000 2.269 516 A HA 0.235 4.545 4.320 -0.018 0.000 0.319 516 A C 0.344 178.219 177.584 0.485 0.000 1.110 516 A CA -0.576 51.695 52.037 0.390 0.000 0.847 516 A CB 0.558 19.823 19.000 0.443 0.000 1.161 516 A HN 1.027 nan 8.150 nan 0.000 0.497 517 H N 0.591 119.842 119.070 0.301 0.000 2.551 517 H HA 0.007 4.552 4.556 -0.018 0.000 0.266 517 H C -0.159 175.285 175.328 0.193 0.000 0.964 517 H CA 0.230 56.405 56.048 0.211 0.000 1.180 517 H CB 0.187 30.065 29.762 0.194 0.000 1.408 517 H HN 0.741 nan 8.280 nan 0.000 0.563 518 N N 2.067 120.984 118.700 0.361 0.000 2.740 518 N HA -0.165 4.564 4.740 -0.018 0.000 0.248 518 N C -0.638 174.998 175.510 0.210 0.000 1.062 518 N CA 0.560 53.769 53.050 0.265 0.000 0.704 518 N CB -0.910 37.692 38.487 0.192 0.000 0.968 518 N HN 0.527 nan 8.380 nan 0.000 0.547 519 Q N -0.174 119.765 119.800 0.233 0.000 2.312 519 Q HA 0.394 4.723 4.340 -0.018 0.000 0.236 519 Q C -1.860 174.217 176.000 0.127 0.000 0.965 519 Q CA -1.192 54.712 55.803 0.170 0.000 0.894 519 Q CB 0.338 29.189 28.738 0.188 0.000 1.225 519 Q HN 0.114 nan 8.270 nan 0.000 0.478 520 P HA -0.028 nan 4.420 nan 0.000 0.267 520 P C -0.202 177.114 177.300 0.026 0.000 1.200 520 P CA 0.331 63.461 63.100 0.050 0.000 0.772 520 P CB 0.463 32.181 31.700 0.029 0.000 0.855 521 T N 0.150 114.711 114.554 0.013 0.000 2.902 521 T HA 0.327 4.666 4.350 -0.018 0.000 0.287 521 T C 0.263 174.919 174.700 -0.074 0.000 1.048 521 T CA -0.918 61.168 62.100 -0.024 0.000 0.941 521 T CB 0.042 68.908 68.868 -0.004 0.000 1.432 521 T HN 0.173 nan 8.240 nan 0.000 0.586 522 L N 1.087 122.237 121.223 -0.121 0.000 2.628 522 L HA 0.127 4.456 4.340 -0.018 0.000 0.274 522 L C 0.821 177.635 176.870 -0.093 0.000 1.209 522 L CA 0.258 55.010 54.840 -0.148 0.000 0.930 522 L CB -0.510 41.433 42.059 -0.193 0.000 1.183 522 L HN 0.640 nan 8.230 nan 0.000 0.492 523 L N 4.979 126.149 121.223 -0.088 0.000 2.375 523 L HA 0.222 4.552 4.340 -0.018 0.000 0.215 523 L C 1.413 178.264 176.870 -0.031 0.000 1.108 523 L CA 0.206 55.019 54.840 -0.046 0.000 0.830 523 L CB -0.521 41.516 42.059 -0.037 0.000 0.959 523 L HN 0.835 nan 8.230 nan 0.000 0.457 524 A N 0.771 123.563 122.820 -0.046 0.000 2.547 524 A HA -0.105 4.204 4.320 -0.018 0.000 0.233 524 A C 0.302 177.879 177.584 -0.012 0.000 1.067 524 A CA -0.054 51.969 52.037 -0.023 0.000 0.763 524 A CB -0.059 18.923 19.000 -0.030 0.000 1.007 524 A HN 0.284 nan 8.150 nan 0.000 0.506 525 D N 2.296 122.699 120.400 0.004 0.000 2.488 525 D HA 0.019 4.649 4.640 -0.018 0.000 0.238 525 D C -1.169 175.130 176.300 -0.002 0.000 1.138 525 D CA -0.886 53.118 54.000 0.006 0.000 0.873 525 D CB 0.875 41.684 40.800 0.016 0.000 1.183 525 D HN 0.285 nan 8.370 nan 0.000 0.458 526 P HA -0.090 nan 4.420 nan 0.000 0.223 526 P C 0.999 178.294 177.300 -0.009 0.000 1.144 526 P CA 0.810 63.904 63.100 -0.010 0.000 0.783 526 P CB 0.119 31.813 31.700 -0.009 0.000 0.771 527 G N -0.106 108.692 108.800 -0.003 0.000 3.042 527 G HA2 0.026 3.975 3.960 -0.018 0.000 0.212 527 G HA3 0.026 3.975 3.960 -0.018 0.000 0.212 527 G C 0.625 175.526 174.900 0.003 0.000 1.166 527 G CA 0.121 45.219 45.100 -0.003 0.000 0.767 527 G HN 0.438 nan 8.290 nan 0.000 0.546 528 S N -0.449 115.258 115.700 0.011 0.000 2.593 528 S HA 0.277 4.736 4.470 -0.018 0.000 0.269 528 S C 1.580 176.185 174.600 0.007 0.000 1.334 528 S CA 0.463 58.683 58.200 0.033 0.000 1.015 528 S CB 1.676 64.906 63.200 0.049 0.000 0.912 528 S HN 0.069 nan 8.310 nan 0.000 0.541 529 S N 0.765 116.474 115.700 0.015 0.000 2.368 529 S HA -0.144 4.316 4.470 -0.018 0.000 0.225 529 S C 1.654 176.216 174.600 -0.063 0.000 1.030 529 S CA 1.232 59.369 58.200 -0.105 0.000 0.999 529 S CB -0.782 62.212 63.200 -0.342 0.000 0.844 529 S HN 0.715 nan 8.310 nan 0.000 0.459 530 I N 1.905 122.489 120.570 0.023 0.000 2.394 530 I HA 0.061 4.220 4.170 -0.018 0.000 0.251 530 I C 2.302 178.415 176.117 -0.007 0.000 1.136 530 I CA 1.228 62.552 61.300 0.041 0.000 1.425 530 I CB -0.893 37.136 38.000 0.047 0.000 1.079 530 I HN 0.314 nan 8.210 nan 0.000 0.425 531 A N 0.350 123.155 122.820 -0.026 0.000 1.972 531 A HA -0.192 4.117 4.320 -0.018 0.000 0.219 531 A C 2.440 179.997 177.584 -0.045 0.000 1.169 531 A CA 1.644 53.653 52.037 -0.048 0.000 0.635 531 A CB -0.543 18.437 19.000 -0.034 0.000 0.810 531 A HN 0.461 nan 8.150 nan 0.000 0.446 532 R N -0.945 119.528 120.500 -0.044 0.000 2.062 532 R HA 0.053 4.382 4.340 -0.018 0.000 0.226 532 R C 2.374 178.637 176.300 -0.061 0.000 1.125 532 R CA 1.099 57.163 56.100 -0.061 0.000 0.966 532 R CB -0.244 30.004 30.300 -0.086 0.000 0.861 532 R HN 0.407 nan 8.270 nan 0.000 0.433 533 R N 0.260 120.737 120.500 -0.039 0.000 2.148 533 R HA 0.041 4.370 4.340 -0.018 0.000 0.223 533 R C 0.971 177.366 176.300 0.159 0.000 1.088 533 R CA 1.153 57.250 56.100 -0.005 0.000 0.985 533 R CB 0.150 30.453 30.300 0.004 0.000 0.880 533 R HN 0.099 nan 8.270 nan 0.000 0.451 534 A N 0.256 123.166 122.820 0.151 0.000 2.965 534 A HA 0.468 4.777 4.320 -0.018 0.000 0.304 534 A C 1.363 178.813 177.584 -0.223 0.000 1.214 534 A CA 0.089 52.172 52.037 0.075 0.000 0.977 534 A CB 0.206 19.134 19.000 -0.121 0.000 1.127 534 A HN 0.233 nan 8.150 nan 0.000 0.572 535 A N 0.456 123.235 122.820 -0.068 0.000 1.948 535 A HA -0.135 4.174 4.320 -0.018 0.000 0.220 535 A C 1.831 179.390 177.584 -0.042 0.000 1.177 535 A CA 1.933 53.939 52.037 -0.052 0.000 0.636 535 A CB -1.017 17.974 19.000 -0.015 0.000 0.815 535 A HN 1.362 nan 8.150 nan 0.000 0.449 536 F N -0.208 119.634 119.950 -0.181 0.000 2.202 536 F HA 0.007 4.523 4.527 -0.018 0.000 0.301 536 F C 2.067 177.937 175.800 0.117 0.000 1.082 536 F CA 0.878 58.702 58.000 -0.295 0.000 1.313 536 F CB -0.910 37.795 39.000 -0.492 0.000 1.024 536 F HN 0.157 nan 8.300 nan 0.000 0.495 537 A N 0.531 122.622 122.820 -1.215 0.000 2.209 537 A HA -0.039 4.271 4.320 -0.018 0.000 0.212 537 A C 2.109 179.538 177.584 -0.258 0.000 1.158 537 A CA 1.414 52.962 52.037 -0.815 0.000 0.742 537 A CB -1.494 16.885 19.000 -1.035 0.000 0.790 537 A HN 0.594 nan 8.150 nan 0.000 0.472 538 T N -3.613 110.886 114.554 -0.092 0.000 3.100 538 T HA 0.198 4.537 4.350 -0.018 0.000 0.253 538 T C 0.592 175.306 174.700 0.024 0.000 1.118 538 T CA 0.191 62.280 62.100 -0.018 0.000 1.058 538 T CB 0.105 68.974 68.868 0.002 0.000 0.953 538 T HN 0.118 nan 8.240 nan 0.000 0.515 539 K N 1.047 121.515 120.400 0.113 0.000 2.469 539 K HA 0.373 4.682 4.320 -0.018 0.000 0.254 539 K C -0.528 176.127 176.600 0.092 0.000 0.939 539 K CA -0.454 55.814 56.287 -0.030 0.000 0.812 539 K CB 2.214 34.438 32.500 -0.460 0.000 1.301 539 K HN -0.044 nan 8.250 nan 0.000 0.433 540 D N 0.413 120.832 120.400 0.032 0.000 2.183 540 D HA -0.047 4.582 4.640 -0.018 0.000 0.203 540 D C 0.025 176.382 176.300 0.095 0.000 0.969 540 D CA 0.886 54.959 54.000 0.121 0.000 0.842 540 D CB 0.266 41.182 40.800 0.192 0.000 0.957 540 D HN 0.109 nan 8.370 nan 0.000 0.484 541 L N -0.358 120.761 121.223 -0.174 0.000 2.464 541 L HA 0.455 4.785 4.340 -0.018 0.000 0.266 541 L C -2.007 174.745 176.870 -0.198 0.000 0.965 541 L CA -0.613 54.089 54.840 -0.230 0.000 0.833 541 L CB 1.506 42.993 42.059 -0.953 0.000 1.296 541 L HN -0.119 nan 8.230 nan 0.000 0.405 542 W N 4.182 125.468 121.300 -0.024 0.000 2.819 542 W HA 0.770 5.420 4.660 -0.018 0.000 0.337 542 W C -1.192 175.419 176.519 0.154 0.000 1.077 542 W CA -0.861 56.503 57.345 0.031 0.000 1.226 542 W CB 1.993 31.448 29.460 -0.009 0.000 1.419 542 W HN 0.167 nan 8.180 nan 0.000 0.502 543 V N 2.642 122.760 119.914 0.340 0.000 2.483 543 V HA 0.698 4.807 4.120 -0.018 0.000 0.297 543 V C -0.049 176.227 176.094 0.304 0.000 1.027 543 V CA -0.802 61.684 62.300 0.310 0.000 0.855 543 V CB 1.357 33.281 31.823 0.168 0.000 0.995 543 V HN 0.595 nan 8.190 nan 0.000 0.424 544 T N 1.661 116.443 114.554 0.380 0.000 2.930 544 T HA 0.766 5.105 4.350 -0.018 0.000 0.290 544 T C -0.439 174.388 174.700 0.212 0.000 1.052 544 T CA -0.956 61.316 62.100 0.288 0.000 1.017 544 T CB 2.150 71.224 68.868 0.343 0.000 1.137 544 T HN 0.519 nan 8.240 nan 0.000 0.511 545 R N 0.730 121.310 120.500 0.132 0.000 2.390 545 R HA 0.352 4.681 4.340 -0.018 0.000 0.291 545 R C -0.906 175.433 176.300 0.065 0.000 1.070 545 R CA -0.923 55.236 56.100 0.098 0.000 1.014 545 R CB -0.427 29.909 30.300 0.060 0.000 1.007 545 R HN 0.775 nan 8.270 nan 0.000 0.466 546 Y N 3.142 123.431 120.300 -0.018 0.000 2.712 546 Y HA 0.297 4.836 4.550 -0.018 0.000 0.333 546 Y C -0.762 175.080 175.900 -0.097 0.000 1.225 546 Y CA 0.934 58.991 58.100 -0.071 0.000 1.499 546 Y CB 0.428 38.806 38.460 -0.136 0.000 1.288 546 Y HN 0.744 nan 8.280 nan 0.000 0.575 547 A N 5.432 127.549 122.820 -1.171 0.000 2.517 547 A HA 0.293 4.602 4.320 -0.018 0.000 0.297 547 A C 0.204 177.176 177.584 -1.019 0.000 1.050 547 A CA -0.605 50.925 52.037 -0.846 0.000 0.694 547 A CB 0.900 19.625 19.000 -0.459 0.000 1.277 547 A HN 0.781 nan 8.150 nan 0.000 0.400 548 D N 1.197 121.232 120.400 -0.607 0.000 2.133 548 D HA -0.178 4.451 4.640 -0.018 0.000 0.195 548 D C 0.885 177.016 176.300 -0.280 0.000 0.997 548 D CA 2.251 56.059 54.000 -0.320 0.000 0.840 548 D CB 0.049 40.789 40.800 -0.101 0.000 0.947 548 D HN 0.776 nan 8.370 nan 0.000 0.452 549 D N 0.144 120.379 120.400 -0.275 0.000 2.328 549 D HA -0.049 4.580 4.640 -0.018 0.000 0.221 549 D C -0.069 176.048 176.300 -0.306 0.000 1.072 549 D CA 0.065 53.932 54.000 -0.221 0.000 0.850 549 D CB -0.586 40.133 40.800 -0.135 0.000 0.922 549 D HN 0.164 nan 8.370 nan 0.000 0.516 550 E N 0.705 120.626 120.200 -0.464 0.000 2.136 550 E HA 0.310 4.650 4.350 -0.018 0.000 0.246 550 E C 0.501 176.926 176.600 -0.292 0.000 1.017 550 E CA -0.277 55.731 56.400 -0.652 0.000 0.883 550 E CB 0.930 29.985 29.700 -1.076 0.000 1.199 550 E HN 0.177 nan 8.360 nan 0.000 0.447 551 R N 1.020 121.335 120.500 -0.307 0.000 2.123 551 R HA 0.111 4.441 4.340 -0.018 0.000 0.209 551 R C 0.012 176.005 176.300 -0.512 0.000 1.078 551 R CA 0.652 56.409 56.100 -0.572 0.000 1.028 551 R CB 0.362 29.984 30.300 -1.130 0.000 0.939 551 R HN 0.268 nan 8.270 nan 0.000 0.463 552 Y N 0.289 120.719 120.300 0.216 0.000 2.485 552 Y HA 0.305 4.845 4.550 -0.018 0.000 0.345 552 Y C -1.770 174.156 175.900 0.044 0.000 0.998 552 Y CA -3.243 54.954 58.100 0.162 0.000 1.059 552 Y CB 1.079 39.514 38.460 -0.042 0.000 1.234 552 Y HN -0.176 nan 8.280 nan 0.000 0.461 553 P HA -0.096 nan 4.420 nan 0.000 0.226 553 P C 0.619 177.675 177.300 -0.406 0.000 1.153 553 P CA 1.484 64.281 63.100 -0.505 0.000 0.777 553 P CB 0.131 31.441 31.700 -0.649 0.000 0.794 554 T N -4.720 109.705 114.554 -0.215 0.000 3.129 554 T HA 0.509 4.848 4.350 -0.018 0.000 0.267 554 T C 0.892 175.534 174.700 -0.097 0.000 1.018 554 T CA 0.064 62.079 62.100 -0.141 0.000 0.903 554 T CB -0.165 68.632 68.868 -0.119 0.000 1.067 554 T HN 0.333 nan 8.240 nan 0.000 0.549 555 G N 1.586 110.366 108.800 -0.034 0.000 2.796 555 G HA2 -0.182 3.767 3.960 -0.018 0.000 0.571 555 G HA3 -0.182 3.767 3.960 -0.018 0.000 0.571 555 G C -0.121 174.781 174.900 0.004 0.000 1.370 555 G CA -0.138 44.972 45.100 0.016 0.000 0.856 555 G HN 0.196 nan 8.290 nan 0.000 0.538 556 D N -0.541 119.765 120.400 -0.156 0.000 2.183 556 D HA 0.056 4.685 4.640 -0.018 0.000 0.203 556 D C 0.877 176.618 176.300 -0.933 0.000 0.969 556 D CA 1.472 55.163 54.000 -0.516 0.000 0.842 556 D CB -0.020 40.228 40.800 -0.919 0.000 0.957 556 D HN 0.242 nan 8.370 nan 0.000 0.484 557 F N 0.215 120.018 119.950 -0.245 0.000 2.434 557 F HA 0.221 4.738 4.527 -0.018 0.000 0.367 557 F C 1.067 176.702 175.800 -0.275 0.000 1.093 557 F CA -0.662 57.154 58.000 -0.307 0.000 1.085 557 F CB 1.467 40.219 39.000 -0.413 0.000 1.322 557 F HN -0.365 nan 8.300 nan 0.000 0.452 558 V N 0.197 120.038 119.914 -0.122 0.000 2.599 558 V HA -0.104 4.005 4.120 -0.018 0.000 0.245 558 V C 1.117 177.114 176.094 -0.162 0.000 1.046 558 V CA 0.429 62.599 62.300 -0.217 0.000 1.065 558 V CB -0.480 31.078 31.823 -0.441 0.000 0.703 558 V HN 0.666 nan 8.190 nan 0.000 0.464 559 N N 1.533 120.192 118.700 -0.067 0.000 2.365 559 N HA -0.070 4.659 4.740 -0.018 0.000 0.265 559 N C 0.489 176.006 175.510 0.012 0.000 1.288 559 N CA 0.732 53.779 53.050 -0.004 0.000 0.869 559 N CB -0.241 38.274 38.487 0.047 0.000 1.071 559 N HN 0.433 nan 8.380 nan 0.000 0.480 560 Q N 0.117 119.922 119.800 0.010 0.000 2.435 560 Q HA -0.313 4.016 4.340 -0.018 0.000 0.286 560 Q C -1.061 174.952 176.000 0.022 0.000 1.229 560 Q CA 0.917 56.722 55.803 0.004 0.000 0.884 560 Q CB -1.638 27.106 28.738 0.009 0.000 1.245 560 Q HN 0.709 nan 8.270 nan 0.000 0.488 561 H N -0.346 118.652 119.070 -0.121 0.000 2.466 561 H HA 0.495 5.040 4.556 -0.018 0.000 0.338 561 H C 0.094 175.337 175.328 -0.142 0.000 1.091 561 H CA 0.023 55.999 56.048 -0.120 0.000 1.207 561 H CB 1.005 30.703 29.762 -0.108 0.000 1.466 561 H HN 0.210 nan 8.280 nan 0.000 0.493 562 S N 2.805 118.143 115.700 -0.604 0.000 2.633 562 S HA 0.385 4.844 4.470 -0.018 0.000 0.257 562 S C 0.974 175.180 174.600 -0.657 0.000 1.265 562 S CA -0.352 57.541 58.200 -0.512 0.000 0.980 562 S CB 0.444 63.434 63.200 -0.351 0.000 1.017 562 S HN 0.853 nan 8.310 nan 0.000 0.577 563 G N -1.625 106.953 108.800 -0.369 0.000 2.634 563 G HA2 0.484 4.433 3.960 -0.018 0.000 0.255 563 G HA3 0.484 4.433 3.960 -0.018 0.000 0.255 563 G C 0.846 175.584 174.900 -0.270 0.000 1.205 563 G CA -0.309 44.627 45.100 -0.274 0.000 0.884 563 G HN 1.899 nan 8.290 nan 0.000 0.549 564 G N -1.727 106.972 108.800 -0.169 0.000 2.705 564 G HA2 0.354 4.304 3.960 -0.018 0.000 0.193 564 G HA3 0.354 4.304 3.960 -0.018 0.000 0.193 564 G C 0.373 175.242 174.900 -0.052 0.000 1.015 564 G CA 0.690 45.732 45.100 -0.096 0.000 0.743 564 G HN 1.762 nan 8.290 nan 0.000 0.476 565 A N -0.382 122.417 122.820 -0.034 0.000 2.392 565 A HA 1.088 5.398 4.320 -0.018 0.000 0.283 565 A C 1.269 178.666 177.584 -0.312 0.000 1.197 565 A CA 0.901 52.890 52.037 -0.080 0.000 0.895 565 A CB 0.778 19.824 19.000 0.077 0.000 1.400 565 A HN 2.294 nan 8.150 nan 0.000 0.461 566 G N -1.756 106.708 108.800 -0.559 0.000 2.681 566 G HA2 -0.108 3.841 3.960 -0.018 0.000 0.220 566 G HA3 -0.108 3.841 3.960 -0.018 0.000 0.220 566 G C 0.693 174.642 174.900 -1.585 0.000 1.353 566 G CA 0.021 44.550 45.100 -0.951 0.000 0.872 566 G HN 1.237 nan 8.290 nan 0.000 0.557 567 L N 1.009 121.466 121.223 -1.277 0.000 2.021 567 L HA -0.134 4.195 4.340 -0.018 0.000 0.215 567 L C 0.322 176.815 176.870 -0.629 0.000 1.074 567 L CA 2.805 56.978 54.840 -1.112 0.000 0.760 567 L CB -1.218 39.959 42.059 -1.470 0.000 0.889 567 L HN 0.467 nan 8.230 nan 0.000 0.433 568 P HA -0.122 nan 4.420 nan 0.000 0.216 568 P C 1.658 178.880 177.300 -0.130 0.000 1.150 568 P CA 1.366 64.397 63.100 -0.115 0.000 0.837 568 P CB 0.109 31.762 31.700 -0.078 0.000 0.786 569 S N -1.978 113.562 115.700 -0.267 0.000 2.387 569 S HA -0.120 4.340 4.470 -0.018 0.000 0.226 569 S C 1.650 176.240 174.600 -0.017 0.000 1.026 569 S CA 0.969 59.080 58.200 -0.149 0.000 0.972 569 S CB -0.957 62.140 63.200 -0.172 0.000 0.814 569 S HN 0.114 nan 8.310 nan 0.000 0.477 570 Y N 1.779 122.010 120.300 -0.116 0.000 2.114 570 Y HA 0.007 4.546 4.550 -0.018 0.000 0.284 570 Y C 2.320 178.192 175.900 -0.046 0.000 1.143 570 Y CA -0.393 57.643 58.100 -0.105 0.000 1.135 570 Y CB -1.141 37.207 38.460 -0.186 0.000 0.980 570 Y HN 0.165 nan 8.280 nan 0.000 0.499 571 I N 0.295 120.945 120.570 0.133 0.000 2.315 571 I HA -0.301 3.858 4.170 -0.018 0.000 0.251 571 I C 2.486 178.655 176.117 0.087 0.000 1.125 571 I CA 1.489 62.864 61.300 0.126 0.000 1.392 571 I CB -1.694 36.413 38.000 0.179 0.000 1.065 571 I HN 0.168 nan 8.210 nan 0.000 0.424 572 A N 0.267 123.125 122.820 0.064 0.000 2.024 572 A HA -0.239 4.070 4.320 -0.018 0.000 0.220 572 A C 2.151 179.761 177.584 0.042 0.000 1.164 572 A CA 1.338 53.401 52.037 0.044 0.000 0.643 572 A CB -0.635 18.381 19.000 0.027 0.000 0.806 572 A HN 0.572 nan 8.150 nan 0.000 0.451 573 Q N -1.352 118.479 119.800 0.052 0.000 2.364 573 Q HA -0.099 4.230 4.340 -0.018 0.000 0.207 573 Q C 0.168 176.191 176.000 0.039 0.000 0.970 573 Q CA 0.510 56.337 55.803 0.041 0.000 0.888 573 Q CB -0.140 28.622 28.738 0.040 0.000 0.951 573 Q HN 0.627 nan 8.270 nan 0.000 0.469 574 D N 0.829 121.258 120.400 0.047 0.000 2.686 574 D HA -0.177 4.452 4.640 -0.018 0.000 0.235 574 D C -0.919 175.406 176.300 0.042 0.000 1.160 574 D CA 0.580 54.607 54.000 0.045 0.000 0.645 574 D CB -0.514 40.306 40.800 0.034 0.000 1.039 574 D HN 0.216 nan 8.370 nan 0.000 0.423 575 R N 0.446 120.974 120.500 0.047 0.000 2.615 575 R HA 0.311 4.640 4.340 -0.018 0.000 0.270 575 R C 0.252 176.581 176.300 0.049 0.000 1.081 575 R CA -0.572 55.553 56.100 0.043 0.000 1.154 575 R CB 0.414 30.738 30.300 0.040 0.000 1.063 575 R HN 0.176 nan 8.270 nan 0.000 0.519 576 D N 2.002 122.428 120.400 0.044 0.000 2.383 576 D HA 0.023 4.652 4.640 -0.018 0.000 0.252 576 D C 0.442 176.777 176.300 0.059 0.000 1.166 576 D CA 0.001 54.029 54.000 0.048 0.000 0.879 576 D CB 0.564 41.389 40.800 0.040 0.000 1.164 576 D HN 0.552 nan 8.370 nan 0.000 0.462 577 I N -0.167 120.442 120.570 0.066 0.000 4.102 577 I HA 0.341 4.500 4.170 -0.018 0.000 0.325 577 I C 0.050 176.213 176.117 0.076 0.000 1.471 577 I CA -0.544 60.803 61.300 0.079 0.000 1.133 577 I CB 0.486 38.543 38.000 0.094 0.000 1.184 577 I HN 0.064 nan 8.210 nan 0.000 0.451 578 D N 2.816 123.255 120.400 0.065 0.000 2.479 578 D HA 0.404 5.033 4.640 -0.018 0.000 0.218 578 D C 1.044 177.379 176.300 0.058 0.000 1.131 578 D CA 0.432 54.468 54.000 0.061 0.000 0.916 578 D CB 0.468 41.299 40.800 0.052 0.000 1.022 578 D HN 0.539 nan 8.370 nan 0.000 0.515 579 G N 3.209 112.048 108.800 0.066 0.000 2.370 579 G HA2 -0.169 3.780 3.960 -0.018 0.000 0.268 579 G HA3 -0.169 3.780 3.960 -0.018 0.000 0.268 579 G C -0.179 174.762 174.900 0.069 0.000 1.122 579 G CA -0.324 44.814 45.100 0.064 0.000 0.963 579 G HN 0.480 nan 8.290 nan 0.000 0.500 580 Q N -0.763 119.085 119.800 0.081 0.000 2.687 580 Q HA 0.371 4.700 4.340 -0.018 0.000 0.305 580 Q C -1.062 174.999 176.000 0.102 0.000 1.006 580 Q CA -0.924 54.928 55.803 0.081 0.000 0.763 580 Q CB 1.009 29.789 28.738 0.070 0.000 1.506 580 Q HN 0.236 nan 8.270 nan 0.000 0.459 581 D N 1.982 122.431 120.400 0.082 0.000 2.359 581 D HA 0.283 4.912 4.640 -0.018 0.000 0.250 581 D C -0.357 176.009 176.300 0.110 0.000 1.264 581 D CA 0.075 54.114 54.000 0.065 0.000 0.911 581 D CB -0.371 40.359 40.800 -0.116 0.000 1.056 581 D HN 0.430 nan 8.370 nan 0.000 0.499 582 I N -0.013 120.637 120.570 0.134 0.000 2.910 582 I HA 0.678 4.837 4.170 -0.018 0.000 0.310 582 I C -0.916 175.275 176.117 0.122 0.000 1.043 582 I CA -1.090 60.293 61.300 0.139 0.000 1.053 582 I CB 2.199 40.275 38.000 0.128 0.000 1.242 582 I HN -0.108 nan 8.210 nan 0.000 0.452 583 V N 3.616 123.603 119.914 0.122 0.000 2.577 583 V HA 0.408 4.518 4.120 -0.018 0.000 0.303 583 V C -0.154 175.945 176.094 0.008 0.000 1.042 583 V CA -0.669 61.625 62.300 -0.010 0.000 0.872 583 V CB 1.803 33.567 31.823 -0.098 0.000 0.998 583 V HN 0.566 nan 8.190 nan 0.000 0.423 584 V N 3.711 123.562 119.914 -0.104 0.000 2.427 584 V HA 0.453 4.563 4.120 -0.018 0.000 0.286 584 V C -1.080 174.956 176.094 -0.098 0.000 1.034 584 V CA -0.443 61.862 62.300 0.008 0.000 0.893 584 V CB 1.560 33.374 31.823 -0.015 0.000 0.982 584 V HN 0.916 nan 8.190 nan 0.000 0.452 585 W N 4.045 125.387 121.300 0.071 0.000 2.336 585 W HA 0.495 5.145 4.660 -0.018 0.000 0.315 585 W C -0.161 176.455 176.519 0.162 0.000 1.016 585 W CA -0.676 56.715 57.345 0.078 0.000 1.318 585 W CB 0.452 29.928 29.460 0.027 0.000 1.247 585 W HN 0.596 nan 8.180 nan 0.000 0.414 586 H N 1.702 120.852 119.070 0.133 0.000 2.519 586 H HA 0.504 5.049 4.556 -0.018 0.000 0.316 586 H C -0.308 175.196 175.328 0.293 0.000 1.065 586 H CA -0.205 55.885 56.048 0.071 0.000 1.264 586 H CB 0.971 30.571 29.762 -0.270 0.000 1.413 586 H HN 0.167 nan 8.280 nan 0.000 0.465 587 T N 7.278 121.853 114.554 0.036 0.000 2.806 587 T HA 0.427 4.766 4.350 -0.018 0.000 0.290 587 T C -1.005 173.604 174.700 -0.152 0.000 0.966 587 T CA -0.225 61.906 62.100 0.051 0.000 1.060 587 T CB -0.277 68.717 68.868 0.210 0.000 0.927 587 T HN 0.500 nan 8.240 nan 0.000 0.485 588 F N -0.076 119.755 119.950 -0.199 0.000 2.628 588 F HA 0.842 5.358 4.527 -0.018 0.000 0.309 588 F C -0.265 175.614 175.800 0.132 0.000 1.108 588 F CA -1.154 56.787 58.000 -0.098 0.000 0.971 588 F CB 1.041 39.943 39.000 -0.163 0.000 1.279 588 F HN 0.801 nan 8.300 nan 0.000 0.441 589 G N 1.676 110.573 108.800 0.162 0.000 2.550 589 G HA2 0.603 4.552 3.960 -0.018 0.000 0.293 589 G HA3 0.603 4.552 3.960 -0.018 0.000 0.293 589 G C -2.497 172.491 174.900 0.147 0.000 1.402 589 G CA -1.121 44.066 45.100 0.144 0.000 0.784 589 G HN 0.830 nan 8.290 nan 0.000 0.482 590 L N 0.250 121.551 121.223 0.131 0.000 2.334 590 L HA 0.628 4.957 4.340 -0.018 0.000 0.276 590 L C -0.141 176.704 176.870 -0.043 0.000 1.014 590 L CA -0.721 54.163 54.840 0.075 0.000 0.815 590 L CB 2.486 44.611 42.059 0.110 0.000 1.268 590 L HN 0.440 nan 8.230 nan 0.000 0.428 591 T N 0.571 115.055 114.554 -0.118 0.000 2.772 591 T HA 0.252 4.591 4.350 -0.018 0.000 0.288 591 T C -0.738 173.720 174.700 -0.403 0.000 0.994 591 T CA -0.282 61.629 62.100 -0.316 0.000 0.951 591 T CB 0.207 68.906 68.868 -0.283 0.000 0.933 591 T HN 0.428 nan 8.240 nan 0.000 0.447 592 H N 3.017 121.654 119.070 -0.722 0.000 2.541 592 H HA 0.412 4.957 4.556 -0.018 0.000 0.316 592 H C -1.156 173.701 175.328 -0.784 0.000 1.043 592 H CA -1.079 54.585 56.048 -0.639 0.000 1.232 592 H CB 0.390 29.802 29.762 -0.584 0.000 1.406 592 H HN 0.435 nan 8.280 nan 0.000 0.469 593 F N 6.584 126.487 119.950 -0.079 0.000 2.307 593 F HA 0.278 4.794 4.527 -0.018 0.000 0.369 593 F C -2.070 173.725 175.800 -0.008 0.000 1.076 593 F CA -2.588 55.231 58.000 -0.301 0.000 1.149 593 F CB 0.858 39.564 39.000 -0.490 0.000 1.410 593 F HN 0.518 nan 8.300 nan 0.000 0.481 594 P HA 0.026 nan 4.420 nan 0.000 0.263 594 P C -0.304 177.114 177.300 0.196 0.000 1.175 594 P CA 0.341 63.467 63.100 0.043 0.000 0.761 594 P CB 0.589 32.283 31.700 -0.009 0.000 0.794 595 R N 1.710 122.344 120.500 0.222 0.000 2.758 595 R HA 0.348 4.677 4.340 -0.018 0.000 0.265 595 R C 1.188 177.581 176.300 0.155 0.000 1.016 595 R CA -1.013 55.187 56.100 0.166 0.000 1.040 595 R CB 0.513 30.906 30.300 0.155 0.000 1.152 595 R HN 0.103 nan 8.270 nan 0.000 0.503 596 V N 1.276 121.257 119.914 0.113 0.000 2.490 596 V HA -0.217 3.892 4.120 -0.018 0.000 0.250 596 V C 1.425 177.622 176.094 0.172 0.000 1.061 596 V CA 1.836 64.210 62.300 0.124 0.000 1.064 596 V CB -0.542 31.328 31.823 0.078 0.000 0.670 596 V HN 0.701 nan 8.190 nan 0.000 0.461 597 E N 0.080 120.362 120.200 0.136 0.000 2.401 597 E HA -0.157 4.182 4.350 -0.018 0.000 0.199 597 E C 1.570 178.255 176.600 0.141 0.000 1.023 597 E CA 0.841 57.313 56.400 0.119 0.000 0.859 597 E CB -0.235 29.517 29.700 0.086 0.000 0.780 597 E HN 0.589 nan 8.360 nan 0.000 0.523 598 D N -1.003 119.518 120.400 0.202 0.000 2.349 598 D HA -0.056 4.573 4.640 -0.018 0.000 0.224 598 D C -0.239 176.229 176.300 0.281 0.000 1.029 598 D CA 0.238 54.375 54.000 0.229 0.000 0.879 598 D CB 0.117 41.106 40.800 0.316 0.000 0.906 598 D HN 0.224 nan 8.370 nan 0.000 0.528 599 W N 2.298 123.633 121.300 0.060 0.000 2.606 599 W HA 0.214 4.864 4.660 -0.018 0.000 0.332 599 W C -1.906 174.647 176.519 0.056 0.000 1.052 599 W CA -2.009 55.370 57.345 0.057 0.000 1.223 599 W CB 2.155 31.646 29.460 0.053 0.000 1.383 599 W HN -0.209 nan 8.180 nan 0.000 0.524 600 P HA 0.091 nan 4.420 nan 0.000 0.236 600 P C -0.028 176.871 177.300 -0.668 0.000 1.177 600 P CA 0.830 63.050 63.100 -1.466 0.000 0.773 600 P CB 1.413 32.484 31.700 -1.047 0.000 0.878 601 I N 0.458 120.805 120.570 -0.371 0.000 2.607 601 I HA 0.294 4.453 4.170 -0.018 0.000 0.290 601 I C -0.435 175.572 176.117 -0.182 0.000 1.129 601 I CA -1.832 59.245 61.300 -0.372 0.000 1.042 601 I CB 2.309 39.823 38.000 -0.810 0.000 1.242 601 I HN -0.253 nan 8.210 nan 0.000 0.421 602 M N 9.291 128.837 119.600 -0.090 0.000 2.235 602 M HA 0.606 5.075 4.480 -0.018 0.000 0.351 602 M C -2.581 173.695 176.300 -0.040 0.000 1.178 602 M CA -1.330 53.967 55.300 -0.005 0.000 1.143 602 M CB 0.905 33.560 32.600 0.092 0.000 1.530 602 M HN 0.226 nan 8.290 nan 0.000 0.461 603 P HA 0.137 nan 4.420 nan 0.000 0.274 603 P C -0.504 176.782 177.300 -0.023 0.000 1.231 603 P CA -0.413 62.671 63.100 -0.028 0.000 0.790 603 P CB 0.895 32.587 31.700 -0.013 0.000 0.951 604 V N 2.781 122.683 119.914 -0.021 0.000 2.694 604 V HA -0.036 4.073 4.120 -0.018 0.000 0.306 604 V C 0.795 176.865 176.094 -0.040 0.000 1.054 604 V CA 1.073 63.362 62.300 -0.017 0.000 1.161 604 V CB -0.198 31.627 31.823 0.003 0.000 0.916 604 V HN 0.645 nan 8.190 nan 0.000 0.490 605 D N 2.318 122.682 120.400 -0.060 0.000 2.433 605 D HA 0.691 5.321 4.640 -0.018 0.000 0.236 605 D C -0.261 175.998 176.300 -0.069 0.000 1.026 605 D CA -0.192 53.766 54.000 -0.071 0.000 0.884 605 D CB 2.267 42.997 40.800 -0.117 0.000 1.384 605 D HN 0.742 nan 8.370 nan 0.000 0.477 606 T N -1.250 113.273 114.554 -0.052 0.000 2.901 606 T HA 0.771 5.111 4.350 -0.018 0.000 0.293 606 T C -0.931 173.777 174.700 0.012 0.000 1.084 606 T CA -0.832 61.230 62.100 -0.063 0.000 1.008 606 T CB 1.548 70.364 68.868 -0.087 0.000 1.170 606 T HN 0.261 nan 8.240 nan 0.000 0.509 607 V N -0.213 119.697 119.914 -0.006 0.000 3.167 607 V HA 0.847 4.957 4.120 -0.018 0.000 0.293 607 V C -0.240 175.830 176.094 -0.040 0.000 1.379 607 V CA 0.565 62.943 62.300 0.130 0.000 1.019 607 V CB 1.651 33.596 31.823 0.204 0.000 1.115 607 V HN 1.686 nan 8.190 nan 0.000 0.442 608 G N 3.161 111.770 108.800 -0.318 0.000 2.474 608 G HA2 0.735 4.685 3.960 -0.018 0.000 0.234 608 G HA3 0.735 4.685 3.960 -0.018 0.000 0.234 608 G C -1.388 172.931 174.900 -0.967 0.000 1.204 608 G CA 0.238 44.962 45.100 -0.627 0.000 0.939 608 G HN 1.946 nan 8.290 nan 0.000 0.491 609 F N -0.977 118.585 119.950 -0.648 0.000 2.807 609 F HA 0.837 5.353 4.527 -0.018 0.000 0.316 609 F C -1.169 174.599 175.800 -0.054 0.000 1.162 609 F CA -1.008 56.799 58.000 -0.322 0.000 0.910 609 F CB 1.409 40.242 39.000 -0.280 0.000 1.314 609 F HN 0.820 nan 8.300 nan 0.000 0.454 610 K N 0.936 121.488 120.400 0.253 0.000 2.556 610 K HA 0.828 5.138 4.320 -0.018 0.000 0.274 610 K C -2.471 174.365 176.600 0.393 0.000 0.966 610 K CA -1.040 55.378 56.287 0.218 0.000 0.865 610 K CB 2.646 35.228 32.500 0.137 0.000 1.444 610 K HN 0.714 nan 8.250 nan 0.000 0.433 611 L N 1.602 123.057 121.223 0.387 0.000 2.381 611 L HA 0.560 4.889 4.340 -0.018 0.000 0.274 611 L C -0.599 176.540 176.870 0.448 0.000 0.988 611 L CA -0.515 54.591 54.840 0.444 0.000 0.824 611 L CB 2.027 44.367 42.059 0.467 0.000 1.263 611 L HN 0.580 nan 8.230 nan 0.000 0.410 612 R N 3.326 124.011 120.500 0.308 0.000 2.711 612 R HA 0.571 4.900 4.340 -0.018 0.000 0.284 612 R C -2.537 173.524 176.300 -0.398 0.000 0.968 612 R CA -1.895 54.247 56.100 0.071 0.000 0.924 612 R CB 1.592 31.947 30.300 0.091 0.000 1.162 612 R HN 0.316 nan 8.270 nan 0.000 0.465 613 P HA -0.035 nan 4.420 nan 0.000 0.268 613 P C -0.799 176.285 177.300 -0.360 0.000 1.205 613 P CA 0.159 62.628 63.100 -1.051 0.000 0.771 613 P CB 0.820 32.249 31.700 -0.452 0.000 0.858 614 E N 1.856 121.910 120.200 -0.244 0.000 2.675 614 E HA 0.438 4.777 4.350 -0.018 0.000 0.236 614 E C 0.703 177.304 176.600 0.002 0.000 1.059 614 E CA -0.360 56.004 56.400 -0.059 0.000 0.775 614 E CB -0.568 29.117 29.700 -0.025 0.000 1.356 614 E HN 0.678 nan 8.360 nan 0.000 0.403 615 G N 3.324 112.137 108.800 0.022 0.000 2.153 615 G HA2 -0.370 3.579 3.960 -0.018 0.000 0.252 615 G HA3 -0.370 3.579 3.960 -0.018 0.000 0.252 615 G C 0.561 175.468 174.900 0.012 0.000 0.994 615 G CA 0.424 45.539 45.100 0.025 0.000 0.698 615 G HN 0.542 nan 8.290 nan 0.000 0.521 616 F N 0.154 119.988 119.950 -0.193 0.000 2.163 616 F HA 0.429 4.946 4.527 -0.018 0.000 0.297 616 F C 1.331 176.845 175.800 -0.477 0.000 1.094 616 F CA 0.716 58.497 58.000 -0.363 0.000 1.290 616 F CB 0.007 38.676 39.000 -0.552 0.000 1.017 616 F HN 0.128 nan 8.300 nan 0.000 0.483 617 F N 0.249 120.219 119.950 0.034 0.000 2.411 617 F HA 0.233 4.749 4.527 -0.019 0.000 0.324 617 F C 1.357 177.123 175.800 -0.056 0.000 1.086 617 F CA -0.820 57.152 58.000 -0.047 0.000 1.028 617 F CB 0.330 39.318 39.000 -0.021 0.000 1.284 617 F HN -0.290 nan 8.300 nan 0.000 0.501 618 D N 0.094 120.584 120.400 0.149 0.000 2.349 618 D HA 0.068 4.698 4.640 -0.018 0.000 0.215 618 D C 0.349 176.686 176.300 0.061 0.000 1.016 618 D CA 0.587 54.625 54.000 0.063 0.000 0.870 618 D CB 0.237 41.057 40.800 0.033 0.000 0.917 618 D HN 0.528 nan 8.370 nan 0.000 0.524 619 R N -2.220 118.333 120.500 0.088 0.000 2.888 619 R HA 0.213 4.542 4.340 -0.018 0.000 0.277 619 R C -0.780 175.529 176.300 0.015 0.000 0.981 619 R CA -0.761 55.362 56.100 0.038 0.000 0.841 619 R CB 0.336 30.644 30.300 0.013 0.000 1.405 619 R HN -0.168 nan 8.270 nan 0.000 0.472 620 S N 0.962 116.646 115.700 -0.027 0.000 2.546 620 S HA 0.128 4.587 4.470 -0.018 0.000 0.290 620 S C -1.355 173.155 174.600 -0.151 0.000 1.290 620 S CA -0.810 57.342 58.200 -0.079 0.000 1.069 620 S CB 0.474 63.645 63.200 -0.048 0.000 0.846 620 S HN 0.515 nan 8.310 nan 0.000 0.495 621 P HA 0.135 nan 4.420 nan 0.000 0.262 621 P C 0.385 177.588 177.300 -0.162 0.000 1.304 621 P CA 0.130 62.988 63.100 -0.404 0.000 0.859 621 P CB -0.161 30.849 31.700 -1.150 0.000 1.310 622 V N -3.805 116.058 119.914 -0.086 0.000 2.915 622 V HA 0.262 4.371 4.120 -0.018 0.000 0.364 622 V C 1.397 177.516 176.094 0.041 0.000 1.354 622 V CA -0.134 62.164 62.300 -0.003 0.000 1.213 622 V CB -0.644 31.200 31.823 0.035 0.000 1.268 622 V HN -0.127 nan 8.190 nan 0.000 0.557 623 L N 1.051 122.290 121.223 0.026 0.000 2.395 623 L HA 0.072 4.401 4.340 -0.018 0.000 0.218 623 L C 2.054 178.966 176.870 0.071 0.000 1.130 623 L CA 1.304 56.182 54.840 0.063 0.000 0.826 623 L CB -0.181 41.893 42.059 0.024 0.000 0.941 623 L HN 0.570 nan 8.230 nan 0.000 0.451 624 D N -0.487 119.934 120.400 0.036 0.000 2.328 624 D HA -0.004 4.626 4.640 -0.018 0.000 0.221 624 D C 0.584 176.893 176.300 0.015 0.000 1.072 624 D CA 0.011 54.025 54.000 0.023 0.000 0.850 624 D CB -0.089 40.712 40.800 0.002 0.000 0.922 624 D HN -0.004 nan 8.370 nan 0.000 0.516 625 V N 3.192 123.122 119.914 0.027 0.000 2.555 625 V HA 0.191 4.300 4.120 -0.018 0.000 0.286 625 V C -1.572 174.523 176.094 0.001 0.000 1.044 625 V CA -1.062 61.244 62.300 0.009 0.000 1.026 625 V CB 1.050 32.886 31.823 0.022 0.000 0.981 625 V HN 0.177 nan 8.190 nan 0.000 0.480 626 P HA 0.250 nan 4.420 nan 0.000 0.276 626 P C 0.219 177.488 177.300 -0.051 0.000 1.252 626 P CA -0.399 62.687 63.100 -0.023 0.000 0.802 626 P CB 1.442 33.133 31.700 -0.016 0.000 1.035 627 A N 0.892 123.674 122.820 -0.063 0.000 2.067 627 A HA -0.006 4.303 4.320 -0.018 0.000 0.217 627 A C 0.736 178.288 177.584 -0.054 0.000 1.156 627 A CA 0.582 52.565 52.037 -0.090 0.000 0.683 627 A CB -0.890 18.055 19.000 -0.092 0.000 0.808 627 A HN 0.707 nan 8.150 nan 0.000 0.455 628 N N 0.000 118.681 118.700 -0.031 0.000 1.763 628 N HA 0.000 4.729 4.740 -0.018 0.000 0.220 628 N CA 0.000 53.040 53.050 -0.016 0.000 0.885 628 N CB 0.000 38.483 38.487 -0.007 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667