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 2d1w_1_A DATA FIRST_RESID 9 DATA SEQUENCE ASPFRLASAG EISEVQGILR TAGLLGPEKR IAYLGVLDPA RGAGSEAEDR DATA SEQUENCE RFRVFIHDVS GARPQEVTVS VTNGTVISAV ELDTAATGEL PVLEEEFEVV DATA SEQUENCE EQLLATDERW LKALAARNLD VSKVRVAPLS AGVFEYAEER GRRILRGLAF DATA SEQUENCE VQDFPEDSAW AHPVDGLVAY VDVVSKEVTR VIDTGVFPVP AEHGNYTDPE DATA SEQUENCE LTGPLRTTQK PISITQPEGP SFTVTGGNHI EWEKWSLDVG FDVREGVVLH DATA SEQUENCE NIAFRDGDRL RPIINRASIA EMVVPYGDPS 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 0.000 177.576 177.584 -0.014 0.000 1.274 9 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 9 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 10 S N 0.989 116.689 115.700 0.000 0.000 2.549 10 S HA 0.408 4.853 4.470 -0.041 0.000 0.279 10 S C -1.330 173.242 174.600 -0.045 0.000 1.321 10 S CA -0.577 57.633 58.200 0.016 0.000 1.054 10 S CB 0.778 64.024 63.200 0.077 0.000 0.899 10 S HN 0.171 nan 8.310 nan 0.000 0.497 11 P HA 0.087 nan 4.420 nan 0.000 0.230 11 P C -0.045 176.896 177.300 -0.598 0.000 1.158 11 P CA 0.796 63.661 63.100 -0.392 0.000 0.769 11 P CB 0.044 31.421 31.700 -0.538 0.000 0.807 12 F N -0.510 119.367 119.950 -0.123 0.000 2.639 12 F HA 0.189 4.691 4.527 -0.041 0.000 0.302 12 F C 1.360 177.092 175.800 -0.113 0.000 1.097 12 F CA -0.718 57.164 58.000 -0.196 0.000 1.294 12 F CB -0.321 38.546 39.000 -0.221 0.000 1.027 12 F HN -0.184 nan 8.300 nan 0.000 0.550 13 R N 0.646 121.169 120.500 0.038 0.000 2.738 13 R HA 0.293 4.609 4.340 -0.041 0.000 0.268 13 R C -0.194 176.125 176.300 0.033 0.000 1.062 13 R CA -0.476 55.654 56.100 0.050 0.000 1.158 13 R CB 0.463 30.783 30.300 0.032 0.000 1.046 13 R HN 0.149 nan 8.270 nan 0.000 0.493 14 L N 1.565 122.821 121.223 0.055 0.000 2.461 14 L HA 0.179 4.495 4.340 -0.041 0.000 0.272 14 L C 0.768 177.675 176.870 0.061 0.000 1.197 14 L CA -0.316 54.560 54.840 0.059 0.000 0.836 14 L CB 0.634 42.729 42.059 0.060 0.000 1.105 14 L HN 0.850 nan 8.230 nan 0.000 0.477 15 A N 2.266 125.136 122.820 0.084 0.000 2.462 15 A HA 0.367 4.663 4.320 -0.041 0.000 0.243 15 A C 0.341 177.993 177.584 0.114 0.000 1.076 15 A CA -0.193 51.938 52.037 0.157 0.000 0.773 15 A CB 0.186 19.341 19.000 0.259 0.000 1.010 15 A HN 0.761 nan 8.150 nan 0.000 0.493 16 S N 1.209 116.972 115.700 0.105 0.000 2.687 16 S HA 0.606 5.052 4.470 -0.041 0.000 0.283 16 S C 1.150 175.768 174.600 0.030 0.000 1.170 16 S CA -0.180 58.051 58.200 0.052 0.000 1.008 16 S CB 1.509 64.732 63.200 0.038 0.000 1.026 16 S HN 1.587 nan 8.310 nan 0.000 0.541 17 A N 1.652 124.478 122.820 0.010 0.000 1.940 17 A HA 0.121 4.417 4.320 -0.041 0.000 0.219 17 A C 2.131 179.698 177.584 -0.029 0.000 1.176 17 A CA 1.785 53.818 52.037 -0.008 0.000 0.631 17 A CB -1.788 17.208 19.000 -0.007 0.000 0.814 17 A HN 1.180 nan 8.150 nan 0.000 0.446 18 G N -0.565 108.221 108.800 -0.024 0.000 2.422 18 G HA2 -0.213 3.723 3.960 -0.041 0.000 0.218 18 G HA3 -0.213 3.723 3.960 -0.041 0.000 0.218 18 G C 1.419 176.274 174.900 -0.075 0.000 1.146 18 G CA 0.969 46.046 45.100 -0.039 0.000 0.769 18 G HN 0.663 nan 8.290 nan 0.000 0.547 19 E N -0.088 120.067 120.200 -0.075 0.000 2.110 19 E HA -0.055 4.271 4.350 -0.041 0.000 0.193 19 E C 2.485 178.855 176.600 -0.383 0.000 0.988 19 E CA 0.548 56.845 56.400 -0.172 0.000 0.804 19 E CB -0.118 29.566 29.700 -0.026 0.000 0.745 19 E HN 0.501 nan 8.360 nan 0.000 0.458 20 I N 0.630 121.036 120.570 -0.274 0.000 2.252 20 I HA -0.217 3.929 4.170 -0.041 0.000 0.245 20 I C 2.325 178.317 176.117 -0.209 0.000 1.102 20 I CA 0.683 61.809 61.300 -0.291 0.000 1.385 20 I CB -0.113 37.808 38.000 -0.132 0.000 1.064 20 I HN -0.025 nan 8.210 nan 0.000 0.414 21 S N 0.161 115.779 115.700 -0.135 0.000 2.399 21 S HA -0.208 4.238 4.470 -0.041 0.000 0.231 21 S C 1.881 176.417 174.600 -0.107 0.000 1.022 21 S CA 1.314 59.458 58.200 -0.093 0.000 0.983 21 S CB -0.182 62.981 63.200 -0.061 0.000 0.803 21 S HN 0.373 nan 8.310 nan 0.000 0.480 22 E N 1.122 121.236 120.200 -0.143 0.000 2.072 22 E HA -0.043 4.282 4.350 -0.041 0.000 0.190 22 E C 1.905 178.411 176.600 -0.156 0.000 0.982 22 E CA 0.725 57.045 56.400 -0.132 0.000 0.803 22 E CB -0.276 29.345 29.700 -0.132 0.000 0.755 22 E HN 0.232 nan 8.360 nan 0.000 0.453 23 V N 0.994 120.755 119.914 -0.254 0.000 2.332 23 V HA -0.290 3.805 4.120 -0.041 0.000 0.248 23 V C 2.561 178.578 176.094 -0.127 0.000 1.055 23 V CA 2.249 64.406 62.300 -0.238 0.000 1.038 23 V CB -0.626 30.966 31.823 -0.384 0.000 0.651 23 V HN 0.409 nan 8.190 nan 0.000 0.450 24 Q N 0.157 119.889 119.800 -0.112 0.000 2.061 24 Q HA -0.184 4.131 4.340 -0.041 0.000 0.204 24 Q C 2.261 178.238 176.000 -0.038 0.000 0.984 24 Q CA 2.193 57.964 55.803 -0.054 0.000 0.846 24 Q CB -0.521 28.194 28.738 -0.038 0.000 0.902 24 Q HN 0.636 nan 8.270 nan 0.000 0.421 25 G N 1.295 110.065 108.800 -0.049 0.000 2.418 25 G HA2 -0.215 3.720 3.960 -0.041 0.000 0.217 25 G HA3 -0.215 3.720 3.960 -0.041 0.000 0.217 25 G C 1.414 176.296 174.900 -0.030 0.000 1.158 25 G CA 0.855 45.934 45.100 -0.035 0.000 0.771 25 G HN 0.322 nan 8.290 nan 0.000 0.545 26 I N 1.034 121.580 120.570 -0.039 0.000 2.163 26 I HA -0.111 4.035 4.170 -0.041 0.000 0.243 26 I C 2.888 178.997 176.117 -0.013 0.000 1.085 26 I CA 0.872 62.156 61.300 -0.027 0.000 1.347 26 I CB -1.287 36.693 38.000 -0.033 0.000 1.044 26 I HN 0.161 nan 8.210 nan 0.000 0.408 27 L N -0.072 121.143 121.223 -0.013 0.000 2.017 27 L HA -0.202 4.114 4.340 -0.041 0.000 0.208 27 L C 2.844 179.717 176.870 0.006 0.000 1.073 27 L CA 1.356 56.199 54.840 0.003 0.000 0.745 27 L CB -0.631 41.434 42.059 0.009 0.000 0.894 27 L HN 0.176 nan 8.230 nan 0.000 0.432 28 R N -0.521 119.980 120.500 0.002 0.000 2.080 28 R HA -0.146 4.169 4.340 -0.041 0.000 0.236 28 R C 2.317 178.617 176.300 -0.000 0.000 1.137 28 R CA 2.038 58.140 56.100 0.004 0.000 0.943 28 R CB -0.712 29.588 30.300 -0.001 0.000 0.846 28 R HN 0.296 nan 8.270 nan 0.000 0.431 29 T N 0.641 115.193 114.554 -0.005 0.000 2.803 29 T HA -0.138 4.188 4.350 -0.041 0.000 0.269 29 T C 1.653 176.353 174.700 -0.001 0.000 1.052 29 T CA 1.415 63.512 62.100 -0.005 0.000 1.136 29 T CB -0.137 68.727 68.868 -0.008 0.000 0.864 29 T HN 0.383 nan 8.240 nan 0.000 0.467 30 A N 0.228 123.049 122.820 0.001 0.000 2.235 30 A HA 0.488 4.783 4.320 -0.041 0.000 0.208 30 A C 1.894 179.482 177.584 0.006 0.000 1.172 30 A CA 0.845 52.885 52.037 0.005 0.000 0.786 30 A CB -0.748 18.257 19.000 0.009 0.000 0.804 30 A HN 0.727 nan 8.150 nan 0.000 0.479 31 G N -1.201 107.603 108.800 0.005 0.000 2.147 31 G HA2 -0.236 3.700 3.960 -0.041 0.000 0.244 31 G HA3 -0.236 3.700 3.960 -0.041 0.000 0.244 31 G C 0.503 175.409 174.900 0.010 0.000 1.005 31 G CA 0.475 45.578 45.100 0.006 0.000 0.713 31 G HN 0.533 nan 8.290 nan 0.000 0.515 32 L N -1.153 120.079 121.223 0.015 0.000 2.640 32 L HA 0.455 4.771 4.340 -0.041 0.000 0.230 32 L C 1.100 177.987 176.870 0.028 0.000 1.123 32 L CA 0.004 54.857 54.840 0.021 0.000 0.900 32 L CB 0.499 42.575 42.059 0.028 0.000 1.146 32 L HN 0.180 nan 8.230 nan 0.000 0.484 33 L N 0.593 121.833 121.223 0.027 0.000 2.839 33 L HA 0.484 4.800 4.340 -0.041 0.000 0.259 33 L C 0.790 177.685 176.870 0.041 0.000 1.369 33 L CA -0.192 54.673 54.840 0.042 0.000 0.845 33 L CB 0.369 42.455 42.059 0.045 0.000 1.181 33 L HN -0.033 nan 8.230 nan 0.000 0.529 34 G N 0.415 109.233 108.800 0.029 0.000 2.683 34 G HA2 0.260 4.196 3.960 -0.041 0.000 0.260 34 G HA3 0.260 4.196 3.960 -0.041 0.000 0.260 34 G C -1.640 173.284 174.900 0.039 0.000 1.238 34 G CA -0.684 44.429 45.100 0.022 0.000 0.934 34 G HN 0.342 nan 8.290 nan 0.000 0.534 35 P HA -0.097 nan 4.420 nan 0.000 0.218 35 P C 1.618 178.958 177.300 0.066 0.000 1.148 35 P CA 1.398 64.518 63.100 0.034 0.000 0.822 35 P CB 0.237 31.940 31.700 0.006 0.000 0.784 36 E N -1.021 119.200 120.200 0.034 0.000 2.478 36 E HA -0.011 4.314 4.350 -0.041 0.000 0.194 36 E C 0.209 176.803 176.600 -0.010 0.000 1.045 36 E CA 0.635 57.042 56.400 0.011 0.000 0.868 36 E CB -0.229 29.457 29.700 -0.024 0.000 0.885 36 E HN 0.119 nan 8.360 nan 0.000 0.505 37 K N 1.517 121.934 120.400 0.028 0.000 2.118 37 K HA 0.390 4.685 4.320 -0.041 0.000 0.264 37 K C 0.242 176.873 176.600 0.052 0.000 1.000 37 K CA -0.528 55.769 56.287 0.016 0.000 0.929 37 K CB 1.218 33.739 32.500 0.036 0.000 1.021 37 K HN -0.034 nan 8.250 nan 0.000 0.463 38 R N 1.499 122.011 120.500 0.020 0.000 2.604 38 R HA 0.383 4.698 4.340 -0.041 0.000 0.281 38 R C -0.548 175.767 176.300 0.024 0.000 1.020 38 R CA -1.045 55.037 56.100 -0.029 0.000 0.899 38 R CB 1.046 31.337 30.300 -0.015 0.000 1.205 38 R HN 0.417 nan 8.270 nan 0.000 0.450 39 I N 2.126 122.676 120.570 -0.034 0.000 2.322 39 I HA 0.152 4.298 4.170 -0.041 0.000 0.292 39 I C 1.356 177.488 176.117 0.025 0.000 1.060 39 I CA 0.308 61.619 61.300 0.018 0.000 1.309 39 I CB 1.375 39.360 38.000 -0.024 0.000 1.415 39 I HN 0.791 nan 8.210 nan 0.000 0.492 40 A N 6.041 128.940 122.820 0.132 0.000 2.132 40 A HA 0.122 4.418 4.320 -0.041 0.000 0.213 40 A C 0.290 178.001 177.584 0.212 0.000 1.154 40 A CA 0.703 52.830 52.037 0.151 0.000 0.753 40 A CB 0.010 19.137 19.000 0.211 0.000 0.826 40 A HN 0.616 nan 8.150 nan 0.000 0.469 41 Y N -2.015 118.306 120.300 0.035 0.000 2.521 41 Y HA 0.550 5.075 4.550 -0.041 0.000 0.328 41 Y C -1.908 173.891 175.900 -0.168 0.000 1.151 41 Y CA -1.183 56.838 58.100 -0.132 0.000 1.054 41 Y CB 1.123 39.358 38.460 -0.374 0.000 1.338 41 Y HN 0.147 nan 8.280 nan 0.000 0.453 42 L N 5.288 125.819 121.223 -1.155 0.000 2.543 42 L HA 0.944 5.260 4.340 -0.041 0.000 0.265 42 L C -1.280 175.061 176.870 -0.882 0.000 0.945 42 L CA -0.173 54.209 54.840 -0.763 0.000 0.869 42 L CB 1.962 43.857 42.059 -0.273 0.000 1.294 42 L HN 0.957 nan 8.230 nan 0.000 0.405 43 G N 2.794 111.240 108.800 -0.591 0.000 2.720 43 G HA2 0.479 4.414 3.960 -0.041 0.000 0.295 43 G HA3 0.479 4.414 3.960 -0.041 0.000 0.295 43 G C -1.873 172.834 174.900 -0.321 0.000 1.437 43 G CA -0.535 44.361 45.100 -0.341 0.000 0.886 43 G HN 0.508 nan 8.290 nan 0.000 0.509 44 V N 1.608 121.173 119.914 -0.582 0.000 2.686 44 V HA 0.559 4.654 4.120 -0.041 0.000 0.295 44 V C 0.192 176.032 176.094 -0.423 0.000 1.055 44 V CA -0.501 61.217 62.300 -0.970 0.000 1.050 44 V CB 0.760 31.985 31.823 -0.998 0.000 0.984 44 V HN 0.567 nan 8.190 nan 0.000 0.482 45 L N 5.589 126.602 121.223 -0.350 0.000 2.326 45 L HA 0.424 4.740 4.340 -0.041 0.000 0.278 45 L C 0.107 176.868 176.870 -0.183 0.000 1.092 45 L CA -0.610 54.126 54.840 -0.174 0.000 0.810 45 L CB 0.904 42.898 42.059 -0.107 0.000 1.153 45 L HN 0.625 nan 8.230 nan 0.000 0.439 46 D N 2.902 123.237 120.400 -0.108 0.000 2.357 46 D HA 0.209 4.824 4.640 -0.041 0.000 0.242 46 D C -2.036 174.179 176.300 -0.140 0.000 1.153 46 D CA -0.938 52.993 54.000 -0.114 0.000 0.918 46 D CB 0.371 41.199 40.800 0.046 0.000 1.181 46 D HN 0.249 nan 8.370 nan 0.000 0.435 47 P HA 0.194 nan 4.420 nan 0.000 0.268 47 P C -0.759 176.500 177.300 -0.069 0.000 1.205 47 P CA -0.127 62.855 63.100 -0.196 0.000 0.771 47 P CB 0.561 32.064 31.700 -0.327 0.000 0.858 48 A N 3.647 126.436 122.820 -0.052 0.000 2.346 48 A HA 0.219 4.514 4.320 -0.041 0.000 0.252 48 A C 0.403 177.968 177.584 -0.032 0.000 1.089 48 A CA -0.374 51.652 52.037 -0.019 0.000 0.797 48 A CB 0.147 19.138 19.000 -0.014 0.000 1.047 48 A HN 0.396 nan 8.150 nan 0.000 0.494 49 R N 0.392 120.858 120.500 -0.056 0.000 2.473 49 R HA 0.327 4.643 4.340 -0.041 0.000 0.315 49 R C 0.518 176.785 176.300 -0.055 0.000 0.972 49 R CA 1.286 57.313 56.100 -0.122 0.000 1.047 49 R CB -0.790 29.381 30.300 -0.216 0.000 0.932 49 R HN 1.661 nan 8.270 nan 0.000 0.411 50 G N 1.519 110.308 108.800 -0.019 0.000 2.992 50 G HA2 -0.027 3.908 3.960 -0.041 0.000 0.677 50 G HA3 -0.027 3.908 3.960 -0.041 0.000 0.677 50 G C 0.186 175.090 174.900 0.007 0.000 1.191 50 G CA -0.312 44.790 45.100 0.003 0.000 1.178 50 G HN 0.625 nan 8.290 nan 0.000 0.506 51 A N 0.951 123.785 122.820 0.024 0.000 2.291 51 A HA 0.568 4.863 4.320 -0.041 0.000 0.220 51 A C 2.315 179.903 177.584 0.007 0.000 1.262 51 A CA 1.585 53.630 52.037 0.014 0.000 0.867 51 A CB -0.167 18.854 19.000 0.034 0.000 0.888 51 A HN 2.010 nan 8.150 nan 0.000 0.487 52 G N 0.541 109.345 108.800 0.006 0.000 2.470 52 G HA2 -0.080 3.856 3.960 -0.041 0.000 0.220 52 G HA3 -0.080 3.856 3.960 -0.041 0.000 0.220 52 G C 1.052 175.951 174.900 -0.002 0.000 1.121 52 G CA 0.917 46.020 45.100 0.004 0.000 0.766 52 G HN 0.815 nan 8.290 nan 0.000 0.553 53 S N 1.841 117.536 115.700 -0.008 0.000 2.701 53 S HA 0.302 4.747 4.470 -0.041 0.000 0.317 53 S C 0.021 174.611 174.600 -0.016 0.000 1.149 53 S CA -0.640 57.553 58.200 -0.012 0.000 1.052 53 S CB 0.538 63.728 63.200 -0.017 0.000 1.257 53 S HN 0.262 nan 8.310 nan 0.000 0.532 54 E N 2.157 122.350 120.200 -0.012 0.000 2.565 54 E HA 0.140 4.465 4.350 -0.041 0.000 0.268 54 E C 0.766 177.355 176.600 -0.019 0.000 1.000 54 E CA 1.020 57.412 56.400 -0.013 0.000 0.964 54 E CB -0.080 29.615 29.700 -0.009 0.000 0.955 54 E HN 1.280 nan 8.360 nan 0.000 0.459 55 A N 2.430 125.236 122.820 -0.023 0.000 1.597 55 A HA -0.173 4.122 4.320 -0.041 0.000 0.206 55 A C 0.498 178.059 177.584 -0.039 0.000 1.281 55 A CA 0.939 52.959 52.037 -0.029 0.000 0.662 55 A CB -0.891 18.097 19.000 -0.020 0.000 1.153 55 A HN 0.518 nan 8.150 nan 0.000 0.200 56 E N 2.364 122.528 120.200 -0.060 0.000 2.384 56 E HA 0.285 4.610 4.350 -0.041 0.000 0.266 56 E C -0.229 176.333 176.600 -0.063 0.000 1.012 56 E CA 0.038 56.390 56.400 -0.080 0.000 0.901 56 E CB 0.727 30.344 29.700 -0.138 0.000 0.967 56 E HN 0.580 nan 8.360 nan 0.000 0.435 57 D N 3.042 123.410 120.400 -0.053 0.000 2.365 57 D HA 0.055 4.670 4.640 -0.041 0.000 0.237 57 D C -0.480 175.800 176.300 -0.032 0.000 1.190 57 D CA -0.472 53.511 54.000 -0.029 0.000 0.867 57 D CB 0.376 41.166 40.800 -0.017 0.000 1.050 57 D HN 0.138 nan 8.370 nan 0.000 0.491 58 R N 4.137 124.630 120.500 -0.011 0.000 2.399 58 R HA 0.206 4.521 4.340 -0.041 0.000 0.324 58 R C 0.132 176.484 176.300 0.086 0.000 1.030 58 R CA 0.138 56.244 56.100 0.010 0.000 0.984 58 R CB 0.100 30.446 30.300 0.076 0.000 0.961 58 R HN 0.478 nan 8.270 nan 0.000 0.433 59 R N 2.319 122.829 120.500 0.017 0.000 2.711 59 R HA 0.500 4.815 4.340 -0.041 0.000 0.284 59 R C -0.691 175.631 176.300 0.036 0.000 0.968 59 R CA -0.688 55.466 56.100 0.090 0.000 0.924 59 R CB 1.473 31.788 30.300 0.025 0.000 1.162 59 R HN 0.225 nan 8.270 nan 0.000 0.465 60 F N 0.519 120.453 119.950 -0.026 0.000 2.532 60 F HA 0.467 4.969 4.527 -0.041 0.000 0.321 60 F C 0.313 176.106 175.800 -0.011 0.000 1.089 60 F CA -0.814 57.163 58.000 -0.037 0.000 0.926 60 F CB 1.841 40.806 39.000 -0.058 0.000 1.168 60 F HN 0.166 nan 8.300 nan 0.000 0.459 61 R N 2.258 122.837 120.500 0.130 0.000 2.346 61 R HA 0.829 5.144 4.340 -0.041 0.000 0.311 61 R C -1.891 174.471 176.300 0.104 0.000 0.983 61 R CA -0.463 55.719 56.100 0.138 0.000 0.880 61 R CB 1.359 31.746 30.300 0.145 0.000 1.100 61 R HN 0.558 nan 8.270 nan 0.000 0.453 62 V N 4.789 124.799 119.914 0.160 0.000 2.709 62 V HA 0.481 4.577 4.120 -0.041 0.000 0.308 62 V C -1.083 175.256 176.094 0.408 0.000 1.062 62 V CA -0.854 61.535 62.300 0.149 0.000 0.901 62 V CB 1.949 33.840 31.823 0.114 0.000 1.003 62 V HN 0.568 nan 8.190 nan 0.000 0.425 63 F N 4.462 124.575 119.950 0.271 0.000 2.388 63 F HA 0.586 5.088 4.527 -0.041 0.000 0.358 63 F C -0.014 175.888 175.800 0.170 0.000 1.122 63 F CA -1.735 56.420 58.000 0.260 0.000 1.056 63 F CB 1.365 40.562 39.000 0.330 0.000 1.155 63 F HN 0.161 nan 8.300 nan 0.000 0.461 64 I N 3.903 124.659 120.570 0.310 0.000 2.321 64 I HA 0.159 4.304 4.170 -0.041 0.000 0.291 64 I C 0.060 176.279 176.117 0.169 0.000 0.998 64 I CA -0.516 60.897 61.300 0.189 0.000 1.227 64 I CB 0.847 38.919 38.000 0.120 0.000 1.368 64 I HN 0.538 nan 8.210 nan 0.000 0.466 65 H N 5.847 124.950 119.070 0.055 0.000 2.483 65 H HA 0.411 4.943 4.556 -0.041 0.000 0.338 65 H C -1.040 174.292 175.328 0.007 0.000 1.152 65 H CA -0.320 55.737 56.048 0.016 0.000 1.264 65 H CB 1.330 31.097 29.762 0.009 0.000 1.510 65 H HN 0.525 nan 8.280 nan 0.000 0.530 66 D N 4.173 124.145 120.400 -0.713 0.000 2.471 66 D HA 0.080 4.695 4.640 -0.041 0.000 0.245 66 D C 0.952 176.817 176.300 -0.725 0.000 1.116 66 D CA -0.497 53.191 54.000 -0.519 0.000 0.853 66 D CB 1.403 42.064 40.800 -0.232 0.000 1.123 66 D HN 0.493 nan 8.370 nan 0.000 0.540 67 V N 2.036 121.664 119.914 -0.478 0.000 3.444 67 V HA -0.031 4.064 4.120 -0.041 0.000 0.271 67 V C 1.598 177.632 176.094 -0.100 0.000 1.188 67 V CA 1.414 63.587 62.300 -0.212 0.000 1.168 67 V CB -0.195 31.603 31.823 -0.041 0.000 0.810 67 V HN 0.402 nan 8.190 nan 0.000 0.500 68 S N 0.112 115.743 115.700 -0.116 0.000 2.524 68 S HA 0.382 4.827 4.470 -0.041 0.000 0.216 68 S C 1.685 176.254 174.600 -0.052 0.000 0.987 68 S CA 1.111 59.274 58.200 -0.061 0.000 0.909 68 S CB 0.020 63.188 63.200 -0.053 0.000 0.781 68 S HN 1.585 nan 8.310 nan 0.000 0.521 69 G N 0.355 109.112 108.800 -0.071 0.000 2.195 69 G HA2 -0.105 3.831 3.960 -0.041 0.000 0.224 69 G HA3 -0.105 3.831 3.960 -0.041 0.000 0.224 69 G C 0.311 175.182 174.900 -0.048 0.000 0.990 69 G CA 0.003 45.079 45.100 -0.040 0.000 0.639 69 G HN 1.076 nan 8.290 nan 0.000 0.514 70 A N 0.458 123.238 122.820 -0.066 0.000 2.448 70 A HA 0.634 4.930 4.320 -0.041 0.000 0.239 70 A C 0.899 178.446 177.584 -0.061 0.000 1.080 70 A CA 0.266 52.268 52.037 -0.057 0.000 0.779 70 A CB 0.180 19.145 19.000 -0.057 0.000 1.026 70 A HN 0.540 nan 8.150 nan 0.000 0.499 71 R N 1.253 121.722 120.500 -0.051 0.000 2.570 71 R HA 0.166 4.482 4.340 -0.041 0.000 0.277 71 R C -2.058 174.209 176.300 -0.055 0.000 1.039 71 R CA -0.783 55.284 56.100 -0.056 0.000 1.065 71 R CB 0.121 30.387 30.300 -0.057 0.000 0.964 71 R HN 0.610 nan 8.270 nan 0.000 0.428 72 P HA 0.091 nan 4.420 nan 0.000 0.277 72 P C -1.165 176.104 177.300 -0.051 0.000 1.271 72 P CA -0.349 62.729 63.100 -0.037 0.000 0.795 72 P CB 0.938 32.616 31.700 -0.036 0.000 1.101 73 Q N -1.036 118.764 119.800 0.000 0.000 2.416 73 Q HA 0.390 4.706 4.340 -0.041 0.000 0.281 73 Q C -0.979 175.091 176.000 0.117 0.000 1.067 73 Q CA -0.671 55.148 55.803 0.027 0.000 0.809 73 Q CB 2.544 31.309 28.738 0.046 0.000 1.418 73 Q HN 0.423 nan 8.270 nan 0.000 0.411 74 E N 1.631 121.917 120.200 0.143 0.000 2.129 74 E HA 0.468 4.793 4.350 -0.041 0.000 0.268 74 E C -1.480 175.261 176.600 0.235 0.000 0.900 74 E CA -0.485 56.099 56.400 0.308 0.000 0.755 74 E CB 1.243 31.138 29.700 0.326 0.000 1.117 74 E HN 0.319 nan 8.360 nan 0.000 0.410 75 V N 3.398 123.460 119.914 0.248 0.000 2.680 75 V HA 0.417 4.513 4.120 -0.041 0.000 0.309 75 V C -0.169 176.021 176.094 0.160 0.000 1.052 75 V CA -0.739 61.660 62.300 0.165 0.000 0.908 75 V CB 2.177 34.075 31.823 0.125 0.000 1.001 75 V HN 0.691 nan 8.190 nan 0.000 0.431 76 T N 3.838 118.466 114.554 0.123 0.000 2.792 76 T HA 0.663 4.988 4.350 -0.041 0.000 0.280 76 T C -0.480 174.276 174.700 0.092 0.000 0.990 76 T CA -0.423 61.745 62.100 0.113 0.000 0.960 76 T CB 1.499 70.424 68.868 0.094 0.000 0.939 76 T HN 0.803 nan 8.240 nan 0.000 0.439 77 V N 0.659 120.636 119.914 0.106 0.000 2.914 77 V HA 0.898 4.994 4.120 -0.041 0.000 0.314 77 V C -0.238 175.915 176.094 0.099 0.000 1.084 77 V CA -0.902 61.446 62.300 0.079 0.000 0.963 77 V CB 2.155 34.007 31.823 0.047 0.000 1.025 77 V HN 0.750 nan 8.190 nan 0.000 0.432 78 S N 2.155 117.894 115.700 0.064 0.000 2.420 78 S HA 0.461 4.906 4.470 -0.041 0.000 0.313 78 S C 0.507 175.135 174.600 0.047 0.000 1.079 78 S CA -0.330 57.909 58.200 0.066 0.000 1.104 78 S CB 1.188 64.410 63.200 0.038 0.000 0.969 78 S HN 0.838 nan 8.310 nan 0.000 0.471 79 V N 5.168 125.126 119.914 0.073 0.000 3.041 79 V HA -0.047 4.049 4.120 -0.041 0.000 0.260 79 V C 2.306 178.410 176.094 0.016 0.000 1.105 79 V CA 1.842 64.150 62.300 0.013 0.000 1.125 79 V CB -0.785 31.038 31.823 -0.001 0.000 0.730 79 V HN 0.876 nan 8.190 nan 0.000 0.479 80 T N 0.618 115.191 114.554 0.032 0.000 2.812 80 T HA -0.094 4.232 4.350 -0.041 0.000 0.264 80 T C 1.624 176.328 174.700 0.007 0.000 1.042 80 T CA 1.441 63.550 62.100 0.016 0.000 1.140 80 T CB -0.200 68.677 68.868 0.014 0.000 0.870 80 T HN 0.456 nan 8.240 nan 0.000 0.445 81 N N 0.189 118.894 118.700 0.008 0.000 2.282 81 N HA 0.169 4.884 4.740 -0.041 0.000 0.185 81 N C 1.239 176.749 175.510 0.000 0.000 1.099 81 N CA 0.610 53.662 53.050 0.004 0.000 0.878 81 N CB 0.550 39.040 38.487 0.006 0.000 0.993 81 N HN 0.497 nan 8.380 nan 0.000 0.481 82 G N 1.799 110.598 108.800 -0.002 0.000 2.272 82 G HA2 -0.258 3.678 3.960 -0.041 0.000 0.280 82 G HA3 -0.258 3.678 3.960 -0.041 0.000 0.280 82 G C 0.111 175.008 174.900 -0.004 0.000 1.067 82 G CA 0.940 46.034 45.100 -0.010 0.000 0.902 82 G HN 0.514 nan 8.290 nan 0.000 0.500 83 T N -3.780 110.776 114.554 0.004 0.000 2.901 83 T HA 0.703 5.029 4.350 -0.041 0.000 0.293 83 T C -0.322 174.388 174.700 0.017 0.000 1.084 83 T CA -0.616 61.489 62.100 0.009 0.000 1.008 83 T CB 2.728 71.602 68.868 0.010 0.000 1.170 83 T HN 0.789 nan 8.240 nan 0.000 0.509 84 V N 3.456 123.381 119.914 0.019 0.000 2.348 84 V HA 0.196 4.292 4.120 -0.041 0.000 0.270 84 V C 1.129 177.241 176.094 0.031 0.000 1.037 84 V CA -0.697 61.620 62.300 0.028 0.000 0.872 84 V CB 0.334 32.173 31.823 0.026 0.000 1.002 84 V HN 0.801 nan 8.190 nan 0.000 0.464 85 I N 3.272 123.865 120.570 0.039 0.000 2.286 85 I HA -0.010 4.136 4.170 -0.041 0.000 0.245 85 I C 1.082 177.221 176.117 0.037 0.000 1.104 85 I CA 1.235 62.557 61.300 0.036 0.000 1.397 85 I CB -0.562 37.462 38.000 0.040 0.000 1.072 85 I HN 0.788 nan 8.210 nan 0.000 0.417 86 S N -0.567 115.162 115.700 0.048 0.000 2.552 86 S HA 0.796 5.242 4.470 -0.041 0.000 0.272 86 S C -0.947 173.690 174.600 0.062 0.000 1.150 86 S CA -0.541 57.689 58.200 0.050 0.000 0.849 86 S CB 2.436 65.667 63.200 0.052 0.000 1.113 86 S HN 0.313 nan 8.310 nan 0.000 0.458 87 A N 1.520 124.372 122.820 0.054 0.000 2.530 87 A HA 0.693 4.988 4.320 -0.041 0.000 0.279 87 A C -1.144 176.468 177.584 0.048 0.000 1.109 87 A CA -0.631 51.442 52.037 0.060 0.000 0.763 87 A CB 1.061 20.089 19.000 0.047 0.000 1.257 87 A HN 1.139 nan 8.150 nan 0.000 0.424 88 V N 2.232 122.180 119.914 0.057 0.000 2.417 88 V HA 0.345 4.441 4.120 -0.041 0.000 0.291 88 V C 0.385 176.485 176.094 0.011 0.000 1.024 88 V CA -0.572 61.749 62.300 0.035 0.000 0.861 88 V CB 1.606 33.455 31.823 0.045 0.000 0.985 88 V HN 0.956 nan 8.190 nan 0.000 0.436 89 E N 3.770 123.964 120.200 -0.010 0.000 2.344 89 E HA 0.396 4.721 4.350 -0.041 0.000 0.270 89 E C -1.118 175.438 176.600 -0.073 0.000 1.021 89 E CA -0.316 56.063 56.400 -0.036 0.000 0.887 89 E CB 0.762 30.443 29.700 -0.032 0.000 0.997 89 E HN 0.526 nan 8.360 nan 0.000 0.429 90 L N 3.474 124.622 121.223 -0.125 0.000 2.322 90 L HA 0.300 4.616 4.340 -0.041 0.000 0.279 90 L C -0.083 176.678 176.870 -0.183 0.000 1.036 90 L CA -0.734 53.980 54.840 -0.209 0.000 0.807 90 L CB 1.344 43.162 42.059 -0.401 0.000 1.226 90 L HN 0.502 nan 8.230 nan 0.000 0.433 91 D N 0.981 121.277 120.400 -0.174 0.000 2.485 91 D HA 0.080 4.696 4.640 -0.041 0.000 0.229 91 D C 1.241 177.440 176.300 -0.168 0.000 1.101 91 D CA -0.304 53.615 54.000 -0.135 0.000 0.906 91 D CB 1.291 42.034 40.800 -0.095 0.000 1.019 91 D HN 0.679 nan 8.370 nan 0.000 0.516 92 T N 0.693 115.138 114.554 -0.183 0.000 2.803 92 T HA -0.177 4.148 4.350 -0.041 0.000 0.269 92 T C 1.816 176.431 174.700 -0.141 0.000 1.052 92 T CA 1.103 63.089 62.100 -0.191 0.000 1.136 92 T CB -0.116 68.655 68.868 -0.162 0.000 0.864 92 T HN 0.253 nan 8.240 nan 0.000 0.467 93 A N 0.997 123.747 122.820 -0.117 0.000 2.121 93 A HA 0.505 4.800 4.320 -0.041 0.000 0.218 93 A C 2.567 180.072 177.584 -0.132 0.000 1.154 93 A CA 1.465 53.435 52.037 -0.111 0.000 0.679 93 A CB -0.899 18.050 19.000 -0.086 0.000 0.795 93 A HN 0.778 nan 8.150 nan 0.000 0.458 94 A N -0.972 121.777 122.820 -0.119 0.000 1.938 94 A HA 0.154 4.449 4.320 -0.041 0.000 0.207 94 A C 2.122 179.661 177.584 -0.076 0.000 1.292 94 A CA 1.647 53.621 52.037 -0.105 0.000 0.700 94 A CB -0.584 18.374 19.000 -0.071 0.000 0.947 94 A HN 0.645 nan 8.150 nan 0.000 0.476 95 T N -3.334 111.193 114.554 -0.045 0.000 3.069 95 T HA 0.481 4.806 4.350 -0.041 0.000 0.252 95 T C 0.826 175.633 174.700 0.178 0.000 1.053 95 T CA 0.825 62.977 62.100 0.086 0.000 0.964 95 T CB -0.040 68.836 68.868 0.014 0.000 1.005 95 T HN 1.906 nan 8.240 nan 0.000 0.532 96 G N 0.985 109.800 108.800 0.026 0.000 2.587 96 G HA2 0.051 3.987 3.960 -0.041 0.000 0.686 96 G HA3 0.051 3.987 3.960 -0.041 0.000 0.686 96 G C -1.105 173.730 174.900 -0.108 0.000 1.236 96 G CA -1.067 44.059 45.100 0.044 0.000 0.820 96 G HN 0.250 nan 8.290 nan 0.000 0.645 97 E N -0.096 120.063 120.200 -0.068 0.000 2.345 97 E HA 0.516 4.841 4.350 -0.041 0.000 0.259 97 E C 1.132 177.700 176.600 -0.053 0.000 1.117 97 E CA -0.506 55.832 56.400 -0.103 0.000 0.913 97 E CB 0.909 30.563 29.700 -0.077 0.000 1.057 97 E HN 0.510 nan 8.360 nan 0.000 0.432 98 L N 1.636 122.814 121.223 -0.076 0.000 2.466 98 L HA 0.238 4.554 4.340 -0.041 0.000 0.257 98 L C -1.932 174.951 176.870 0.022 0.000 1.189 98 L CA -1.825 53.036 54.840 0.035 0.000 0.813 98 L CB -0.251 41.825 42.059 0.029 0.000 1.118 98 L HN 0.142 nan 8.230 nan 0.000 0.471 99 P HA -0.027 nan 4.420 nan 0.000 0.267 99 P C -0.654 176.615 177.300 -0.052 0.000 1.201 99 P CA -0.243 62.875 63.100 0.030 0.000 0.775 99 P CB 0.390 32.157 31.700 0.112 0.000 0.854 100 V N 3.319 123.165 119.914 -0.114 0.000 2.655 100 V HA -0.002 4.093 4.120 -0.041 0.000 0.300 100 V C 0.733 176.748 176.094 -0.131 0.000 1.044 100 V CA 0.167 62.384 62.300 -0.138 0.000 1.095 100 V CB -0.269 31.459 31.823 -0.160 0.000 0.952 100 V HN 0.316 nan 8.190 nan 0.000 0.485 101 L N 3.478 124.573 121.223 -0.213 0.000 2.350 101 L HA 0.290 4.605 4.340 -0.041 0.000 0.275 101 L C 1.610 178.161 176.870 -0.531 0.000 1.099 101 L CA -0.059 54.629 54.840 -0.253 0.000 0.808 101 L CB 0.862 42.803 42.059 -0.195 0.000 1.149 101 L HN 0.759 nan 8.230 nan 0.000 0.442 102 E N 1.927 121.839 120.200 -0.480 0.000 2.118 102 E HA -0.257 4.068 4.350 -0.041 0.000 0.195 102 E C 1.547 177.834 176.600 -0.522 0.000 0.992 102 E CA 1.821 57.797 56.400 -0.707 0.000 0.804 102 E CB 0.221 29.870 29.700 -0.085 0.000 0.741 102 E HN 0.795 nan 8.360 nan 0.000 0.458 103 E N -0.003 120.045 120.200 -0.254 0.000 2.409 103 E HA -0.185 4.140 4.350 -0.041 0.000 0.198 103 E C 1.516 178.069 176.600 -0.078 0.000 1.024 103 E CA 0.919 57.256 56.400 -0.104 0.000 0.861 103 E CB -0.035 29.629 29.700 -0.061 0.000 0.788 103 E HN 0.336 nan 8.360 nan 0.000 0.521 104 E N -0.283 119.818 120.200 -0.165 0.000 2.299 104 E HA -0.032 4.293 4.350 -0.041 0.000 0.193 104 E C 1.145 177.817 176.600 0.119 0.000 0.998 104 E CA 0.172 56.548 56.400 -0.040 0.000 0.851 104 E CB 0.012 29.672 29.700 -0.066 0.000 0.795 104 E HN 0.252 nan 8.360 nan 0.000 0.492 105 F N 1.901 121.906 119.950 0.092 0.000 2.095 105 F HA -0.187 4.316 4.527 -0.040 0.000 0.298 105 F C 2.013 177.857 175.800 0.073 0.000 1.104 105 F CA 1.159 59.222 58.000 0.104 0.000 1.232 105 F CB -0.955 38.121 39.000 0.126 0.000 0.987 105 F HN 0.052 nan 8.300 nan 0.000 0.475 106 E N 0.346 120.701 120.200 0.258 0.000 2.077 106 E HA -0.178 4.148 4.350 -0.041 0.000 0.193 106 E C 2.355 179.013 176.600 0.096 0.000 0.989 106 E CA 1.750 58.242 56.400 0.153 0.000 0.800 106 E CB -0.603 29.168 29.700 0.119 0.000 0.746 106 E HN 0.385 nan 8.360 nan 0.000 0.452 107 V N -0.338 119.625 119.914 0.082 0.000 2.453 107 V HA -0.255 3.841 4.120 -0.041 0.000 0.252 107 V C 2.167 178.268 176.094 0.011 0.000 1.068 107 V CA 1.691 64.017 62.300 0.043 0.000 1.070 107 V CB -0.848 30.998 31.823 0.039 0.000 0.664 107 V HN 0.072 nan 8.190 nan 0.000 0.461 108 V N 0.789 120.718 119.914 0.024 0.000 2.261 108 V HA -0.288 3.807 4.120 -0.041 0.000 0.246 108 V C 2.746 178.770 176.094 -0.117 0.000 1.047 108 V CA 2.642 64.917 62.300 -0.042 0.000 1.015 108 V CB -0.894 30.929 31.823 0.000 0.000 0.642 108 V HN 0.760 nan 8.190 nan 0.000 0.446 109 E N -0.202 119.966 120.200 -0.054 0.000 2.106 109 E HA -0.257 4.068 4.350 -0.041 0.000 0.192 109 E C 2.259 178.826 176.600 -0.057 0.000 0.984 109 E CA 1.346 57.708 56.400 -0.063 0.000 0.806 109 E CB -0.075 29.639 29.700 0.022 0.000 0.750 109 E HN 0.705 nan 8.360 nan 0.000 0.458 110 Q N 0.173 119.960 119.800 -0.021 0.000 2.079 110 Q HA -0.130 4.185 4.340 -0.041 0.000 0.200 110 Q C 2.452 178.432 176.000 -0.034 0.000 0.974 110 Q CA 1.236 57.034 55.803 -0.008 0.000 0.840 110 Q CB -0.037 28.709 28.738 0.015 0.000 0.898 110 Q HN 0.366 nan 8.270 nan 0.000 0.430 111 L N 0.322 121.506 121.223 -0.064 0.000 2.056 111 L HA -0.173 4.142 4.340 -0.041 0.000 0.207 111 L C 2.297 179.089 176.870 -0.130 0.000 1.078 111 L CA 0.869 55.662 54.840 -0.078 0.000 0.749 111 L CB -0.352 41.659 42.059 -0.080 0.000 0.901 111 L HN 0.241 nan 8.230 nan 0.000 0.433 112 L N -0.315 120.748 121.223 -0.267 0.000 2.131 112 L HA -0.166 4.149 4.340 -0.041 0.000 0.210 112 L C 2.813 179.584 176.870 -0.165 0.000 1.092 112 L CA 0.880 55.437 54.840 -0.471 0.000 0.759 112 L CB -0.722 40.582 42.059 -1.258 0.000 0.903 112 L HN 0.239 nan 8.230 nan 0.000 0.435 113 A N -0.095 122.698 122.820 -0.046 0.000 2.076 113 A HA -0.198 4.097 4.320 -0.041 0.000 0.220 113 A C 2.116 179.760 177.584 0.100 0.000 1.160 113 A CA 2.171 54.270 52.037 0.103 0.000 0.653 113 A CB -0.707 18.334 19.000 0.068 0.000 0.801 113 A HN 0.530 nan 8.150 nan 0.000 0.455 114 T N -3.681 110.906 114.554 0.054 0.000 3.084 114 T HA 0.177 4.502 4.350 -0.041 0.000 0.270 114 T C 0.067 174.799 174.700 0.053 0.000 1.008 114 T CA 0.036 62.166 62.100 0.051 0.000 0.900 114 T CB -0.052 68.833 68.868 0.028 0.000 1.084 114 T HN 0.328 nan 8.240 nan 0.000 0.538 115 D N 1.602 122.045 120.400 0.071 0.000 2.277 115 D HA 0.100 4.715 4.640 -0.041 0.000 0.249 115 D C 0.667 177.037 176.300 0.116 0.000 1.134 115 D CA -0.209 53.836 54.000 0.075 0.000 0.863 115 D CB 1.359 42.192 40.800 0.055 0.000 1.143 115 D HN 0.002 nan 8.370 nan 0.000 0.458 116 E N 3.777 124.021 120.200 0.073 0.000 2.085 116 E HA -0.197 4.129 4.350 -0.041 0.000 0.194 116 E C 1.884 178.525 176.600 0.068 0.000 0.994 116 E CA 1.080 57.517 56.400 0.060 0.000 0.801 116 E CB 0.010 29.730 29.700 0.034 0.000 0.743 116 E HN 0.579 nan 8.360 nan 0.000 0.453 117 R N -0.194 120.354 120.500 0.079 0.000 2.073 117 R HA -0.100 4.215 4.340 -0.041 0.000 0.234 117 R C 2.328 178.701 176.300 0.121 0.000 1.134 117 R CA 1.396 57.541 56.100 0.075 0.000 0.952 117 R CB -0.404 29.935 30.300 0.065 0.000 0.850 117 R HN 0.354 nan 8.270 nan 0.000 0.433 118 W N 1.496 122.774 121.300 -0.037 0.000 2.355 118 W HA -0.153 4.499 4.660 -0.013 0.000 0.309 118 W C 1.511 178.015 176.519 -0.025 0.000 1.206 118 W CA 1.270 58.594 57.345 -0.034 0.000 1.284 118 W CB -0.173 29.270 29.460 -0.028 0.000 1.145 118 W HN 0.089 nan 8.180 nan 0.000 0.502 119 L N 0.817 122.121 121.223 0.136 0.000 2.083 119 L HA -0.252 4.063 4.340 -0.041 0.000 0.209 119 L C 2.563 179.397 176.870 -0.060 0.000 1.083 119 L CA 1.479 56.331 54.840 0.019 0.000 0.752 119 L CB -0.738 41.362 42.059 0.069 0.000 0.899 119 L HN -0.094 nan 8.230 nan 0.000 0.433 120 K N -0.085 120.292 120.400 -0.039 0.000 2.057 120 K HA -0.111 4.184 4.320 -0.041 0.000 0.206 120 K C 2.260 178.796 176.600 -0.106 0.000 1.050 120 K CA 1.243 57.496 56.287 -0.056 0.000 0.935 120 K CB -0.211 32.271 32.500 -0.030 0.000 0.715 120 K HN 0.272 nan 8.250 nan 0.000 0.439 121 A N 1.474 124.199 122.820 -0.159 0.000 1.902 121 A HA -0.128 4.168 4.320 -0.041 0.000 0.217 121 A C 2.102 179.521 177.584 -0.274 0.000 1.181 121 A CA 1.245 53.148 52.037 -0.224 0.000 0.623 121 A CB -0.576 18.236 19.000 -0.314 0.000 0.818 121 A HN 0.143 nan 8.150 nan 0.000 0.443 122 L N -1.001 120.013 121.223 -0.348 0.000 2.072 122 L HA -0.132 4.184 4.340 -0.041 0.000 0.205 122 L C 3.103 179.873 176.870 -0.166 0.000 1.079 122 L CA 0.932 55.593 54.840 -0.299 0.000 0.752 122 L CB -0.639 41.227 42.059 -0.322 0.000 0.906 122 L HN 0.432 nan 8.230 nan 0.000 0.436 123 A N 0.378 123.122 122.820 -0.126 0.000 1.908 123 A HA -0.194 4.101 4.320 -0.041 0.000 0.218 123 A C 2.532 180.070 177.584 -0.076 0.000 1.181 123 A CA 1.780 53.769 52.037 -0.080 0.000 0.627 123 A CB -0.679 18.286 19.000 -0.058 0.000 0.818 123 A HN 0.399 nan 8.150 nan 0.000 0.445 124 A N -0.379 122.390 122.820 -0.086 0.000 1.972 124 A HA -0.142 4.154 4.320 -0.041 0.000 0.219 124 A C 2.131 179.671 177.584 -0.073 0.000 1.169 124 A CA 1.500 53.493 52.037 -0.073 0.000 0.635 124 A CB -0.350 18.604 19.000 -0.076 0.000 0.810 124 A HN 0.560 nan 8.150 nan 0.000 0.446 125 R N -0.707 119.739 120.500 -0.091 0.000 2.317 125 R HA 0.092 4.407 4.340 -0.041 0.000 0.208 125 R C -0.325 175.932 176.300 -0.072 0.000 0.914 125 R CA 0.205 56.256 56.100 -0.082 0.000 1.060 125 R CB 0.086 30.323 30.300 -0.105 0.000 1.015 125 R HN 0.481 nan 8.270 nan 0.000 0.498 126 N N 0.989 119.648 118.700 -0.069 0.000 2.740 126 N HA -0.179 4.536 4.740 -0.041 0.000 0.248 126 N C -1.091 174.385 175.510 -0.057 0.000 1.062 126 N CA 0.958 53.975 53.050 -0.055 0.000 0.704 126 N CB -1.320 37.142 38.487 -0.042 0.000 0.968 126 N HN 0.271 nan 8.380 nan 0.000 0.547 127 L N 0.149 121.327 121.223 -0.074 0.000 2.313 127 L HA 0.331 4.646 4.340 -0.041 0.000 0.283 127 L C 0.673 177.511 176.870 -0.053 0.000 1.013 127 L CA -0.840 53.958 54.840 -0.071 0.000 0.816 127 L CB 1.606 43.605 42.059 -0.100 0.000 1.236 127 L HN -0.064 nan 8.230 nan 0.000 0.419 128 D N 2.287 122.669 120.400 -0.031 0.000 2.358 128 D HA -0.021 4.594 4.640 -0.041 0.000 0.258 128 D C 0.873 177.175 176.300 0.004 0.000 1.223 128 D CA 0.189 54.183 54.000 -0.011 0.000 0.886 128 D CB 1.916 42.714 40.800 -0.002 0.000 1.120 128 D HN 0.328 nan 8.370 nan 0.000 0.482 129 V N 4.123 124.048 119.914 0.019 0.000 2.568 129 V HA -0.259 3.836 4.120 -0.041 0.000 0.253 129 V C 2.124 178.261 176.094 0.072 0.000 1.072 129 V CA 2.783 65.121 62.300 0.062 0.000 1.084 129 V CB -0.410 31.469 31.823 0.092 0.000 0.676 129 V HN 0.716 nan 8.190 nan 0.000 0.469 130 S N -1.146 114.583 115.700 0.048 0.000 2.515 130 S HA -0.080 4.365 4.470 -0.041 0.000 0.231 130 S C 1.679 176.302 174.600 0.038 0.000 0.987 130 S CA 1.012 59.239 58.200 0.045 0.000 0.936 130 S CB -0.325 62.896 63.200 0.035 0.000 0.766 130 S HN 0.740 nan 8.310 nan 0.000 0.528 131 K N 0.646 121.064 120.400 0.030 0.000 2.358 131 K HA 0.306 4.602 4.320 -0.041 0.000 0.200 131 K C -0.742 175.870 176.600 0.020 0.000 1.030 131 K CA -0.066 56.231 56.287 0.016 0.000 1.097 131 K CB 1.025 33.526 32.500 0.003 0.000 0.862 131 K HN 0.202 nan 8.250 nan 0.000 0.534 132 V N 3.371 123.315 119.914 0.050 0.000 2.348 132 V HA 0.213 4.308 4.120 -0.041 0.000 0.270 132 V C 0.159 176.320 176.094 0.113 0.000 1.037 132 V CA -0.778 61.571 62.300 0.081 0.000 0.872 132 V CB 0.751 32.641 31.823 0.112 0.000 1.002 132 V HN 0.156 nan 8.190 nan 0.000 0.464 133 R N 3.279 123.827 120.500 0.080 0.000 2.459 133 R HA 0.624 4.939 4.340 -0.041 0.000 0.281 133 R C -0.790 175.598 176.300 0.148 0.000 1.050 133 R CA -0.487 55.649 56.100 0.060 0.000 1.055 133 R CB 1.823 32.087 30.300 -0.059 0.000 1.045 133 R HN 0.449 nan 8.270 nan 0.000 0.495 134 V N 1.808 121.802 119.914 0.133 0.000 2.483 134 V HA 0.377 4.473 4.120 -0.041 0.000 0.297 134 V C 0.021 176.213 176.094 0.163 0.000 1.027 134 V CA -1.200 61.211 62.300 0.184 0.000 0.855 134 V CB 1.675 33.554 31.823 0.092 0.000 0.995 134 V HN 0.858 nan 8.190 nan 0.000 0.424 135 A N 7.220 130.203 122.820 0.271 0.000 2.404 135 A HA 0.651 4.947 4.320 -0.041 0.000 0.273 135 A C -2.505 175.212 177.584 0.222 0.000 1.144 135 A CA -1.212 50.975 52.037 0.250 0.000 0.806 135 A CB 0.057 19.338 19.000 0.468 0.000 1.080 135 A HN 0.622 nan 8.150 nan 0.000 0.509 136 P HA 0.334 nan 4.420 nan 0.000 0.274 136 P C -0.830 176.605 177.300 0.225 0.000 1.470 136 P CA 0.137 63.337 63.100 0.166 0.000 1.001 136 P CB 0.349 32.169 31.700 0.201 0.000 1.332 137 L N 1.635 123.028 121.223 0.283 0.000 2.334 137 L HA 0.470 4.785 4.340 -0.041 0.000 0.275 137 L C 0.941 178.044 176.870 0.388 0.000 1.036 137 L CA -0.925 54.147 54.840 0.387 0.000 0.807 137 L CB 1.279 43.636 42.059 0.497 0.000 1.231 137 L HN 0.257 nan 8.230 nan 0.000 0.438 138 S N 0.663 116.662 115.700 0.498 0.000 2.573 138 S HA 0.216 4.662 4.470 -0.041 0.000 0.277 138 S C 0.807 175.602 174.600 0.325 0.000 1.346 138 S CA -0.082 58.332 58.200 0.356 0.000 1.034 138 S CB 1.410 64.863 63.200 0.422 0.000 0.879 138 S HN 0.740 nan 8.310 nan 0.000 0.528 139 A N 2.484 125.413 122.820 0.183 0.000 1.956 139 A HA 0.577 4.872 4.320 -0.041 0.000 0.212 139 A C 1.536 179.304 177.584 0.307 0.000 1.188 139 A CA 0.701 52.804 52.037 0.111 0.000 0.675 139 A CB -1.488 17.494 19.000 -0.029 0.000 0.845 139 A HN 2.314 nan 8.150 nan 0.000 0.455 140 G N -1.835 107.120 108.800 0.258 0.000 2.645 140 G HA2 -0.026 3.909 3.960 -0.041 0.000 0.239 140 G HA3 -0.026 3.909 3.960 -0.041 0.000 0.239 140 G C -0.447 174.469 174.900 0.027 0.000 1.331 140 G CA -0.242 44.983 45.100 0.209 0.000 0.890 140 G HN 1.159 nan 8.290 nan 0.000 0.572 141 V N 0.867 120.587 119.914 -0.325 0.000 2.482 141 V HA 0.756 4.852 4.120 -0.041 0.000 0.295 141 V C -0.149 175.487 176.094 -0.762 0.000 1.026 141 V CA -0.330 61.762 62.300 -0.346 0.000 0.856 141 V CB 1.206 32.869 31.823 -0.266 0.000 1.001 141 V HN 0.740 nan 8.190 nan 0.000 0.424 142 F N 1.677 121.564 119.950 -0.104 0.000 3.336 142 F HA 0.424 4.928 4.527 -0.039 0.000 0.214 142 F C 1.518 177.154 175.800 -0.274 0.000 1.614 142 F CA -0.563 57.320 58.000 -0.194 0.000 0.939 142 F CB 0.306 39.147 39.000 -0.265 0.000 1.865 142 F HN 0.447 nan 8.300 nan 0.000 0.306 143 E N 0.789 120.839 120.200 -0.250 0.000 2.437 143 E HA -0.016 4.310 4.350 -0.041 0.000 0.189 143 E C -0.925 175.568 176.600 -0.178 0.000 1.054 143 E CA 0.138 56.403 56.400 -0.226 0.000 0.874 143 E CB -0.874 28.724 29.700 -0.170 0.000 1.011 143 E HN 0.664 nan 8.360 nan 0.000 0.474 144 Y N 0.947 121.295 120.300 0.080 0.000 2.691 144 Y HA 0.414 4.939 4.550 -0.041 0.000 0.338 144 Y C 1.676 177.587 175.900 0.019 0.000 1.148 144 Y CA -0.395 57.733 58.100 0.047 0.000 1.430 144 Y CB 0.931 39.405 38.460 0.023 0.000 1.303 144 Y HN 0.085 nan 8.280 nan 0.000 0.499 145 A N 2.231 125.137 122.820 0.143 0.000 1.978 145 A HA -0.223 4.073 4.320 -0.041 0.000 0.220 145 A C 2.125 179.747 177.584 0.063 0.000 1.170 145 A CA 1.805 53.886 52.037 0.072 0.000 0.636 145 A CB -0.232 18.799 19.000 0.052 0.000 0.810 145 A HN 0.773 nan 8.150 nan 0.000 0.448 146 E N 0.624 120.874 120.200 0.083 0.000 2.516 146 E HA -0.137 4.189 4.350 -0.041 0.000 0.199 146 E C 1.012 177.634 176.600 0.037 0.000 1.069 146 E CA 1.081 57.511 56.400 0.049 0.000 0.876 146 E CB -0.362 29.365 29.700 0.044 0.000 0.843 146 E HN 0.779 nan 8.360 nan 0.000 0.530 147 E N 1.330 121.563 120.200 0.055 0.000 2.276 147 E HA 0.009 4.335 4.350 -0.041 0.000 0.193 147 E C 0.538 177.138 176.600 0.000 0.000 0.983 147 E CA -0.171 56.246 56.400 0.028 0.000 0.861 147 E CB 0.020 29.751 29.700 0.052 0.000 0.817 147 E HN 0.261 nan 8.360 nan 0.000 0.485 148 R N 0.751 121.248 120.500 -0.006 0.000 2.502 148 R HA 0.089 4.404 4.340 -0.041 0.000 0.292 148 R C 0.806 177.084 176.300 -0.037 0.000 0.998 148 R CA 0.991 57.069 56.100 -0.035 0.000 1.056 148 R CB 0.144 30.418 30.300 -0.044 0.000 0.939 148 R HN 0.219 nan 8.270 nan 0.000 0.411 149 G N 2.659 111.428 108.800 -0.051 0.000 2.284 149 G HA2 -0.315 3.620 3.960 -0.041 0.000 0.247 149 G HA3 -0.315 3.620 3.960 -0.041 0.000 0.247 149 G C 0.090 174.969 174.900 -0.035 0.000 1.012 149 G CA 0.187 45.258 45.100 -0.048 0.000 0.618 149 G HN 0.634 nan 8.290 nan 0.000 0.521 150 R N 0.238 120.721 120.500 -0.027 0.000 2.428 150 R HA 0.577 4.892 4.340 -0.041 0.000 0.294 150 R C 0.298 176.585 176.300 -0.022 0.000 1.000 150 R CA -0.781 55.309 56.100 -0.017 0.000 0.960 150 R CB 1.121 31.414 30.300 -0.011 0.000 1.076 150 R HN 0.192 nan 8.270 nan 0.000 0.475 151 R N 3.577 124.069 120.500 -0.013 0.000 2.235 151 R HA 0.282 4.598 4.340 -0.041 0.000 0.338 151 R C -0.624 175.664 176.300 -0.021 0.000 1.087 151 R CA -0.022 56.065 56.100 -0.023 0.000 0.948 151 R CB 0.150 30.442 30.300 -0.014 0.000 1.099 151 R HN 0.529 nan 8.270 nan 0.000 0.483 152 I N 4.908 125.462 120.570 -0.028 0.000 2.693 152 I HA 0.428 4.573 4.170 -0.041 0.000 0.303 152 I C -0.468 175.635 176.117 -0.024 0.000 1.025 152 I CA -1.127 60.154 61.300 -0.032 0.000 1.086 152 I CB 2.060 40.024 38.000 -0.059 0.000 1.268 152 I HN 0.435 nan 8.210 nan 0.000 0.440 153 L N 4.179 125.390 121.223 -0.020 0.000 2.422 153 L HA 0.563 4.878 4.340 -0.041 0.000 0.264 153 L C -0.787 176.062 176.870 -0.036 0.000 0.984 153 L CA -0.788 54.058 54.840 0.010 0.000 0.819 153 L CB 2.481 44.582 42.059 0.070 0.000 1.330 153 L HN 0.529 nan 8.230 nan 0.000 0.410 154 R N 0.698 121.155 120.500 -0.073 0.000 2.604 154 R HA 0.710 5.025 4.340 -0.041 0.000 0.287 154 R C -0.244 176.070 176.300 0.023 0.000 0.970 154 R CA -0.760 55.256 56.100 -0.141 0.000 0.946 154 R CB 2.058 31.936 30.300 -0.703 0.000 1.127 154 R HN 0.747 nan 8.270 nan 0.000 0.473 155 G N 2.324 111.152 108.800 0.047 0.000 2.513 155 G HA2 0.595 4.530 3.960 -0.041 0.000 0.317 155 G HA3 0.595 4.530 3.960 -0.041 0.000 0.317 155 G C -0.933 174.125 174.900 0.263 0.000 1.277 155 G CA -0.619 44.552 45.100 0.120 0.000 0.955 155 G HN 0.285 nan 8.290 nan 0.000 0.484 156 L N 1.480 122.929 121.223 0.377 0.000 2.346 156 L HA 0.688 5.003 4.340 -0.041 0.000 0.276 156 L C 0.533 177.567 176.870 0.273 0.000 1.006 156 L CA -1.001 54.059 54.840 0.367 0.000 0.817 156 L CB 2.167 44.529 42.059 0.506 0.000 1.272 156 L HN 0.636 nan 8.230 nan 0.000 0.421 157 A N 3.106 125.978 122.820 0.087 0.000 2.304 157 A HA 0.830 5.126 4.320 -0.041 0.000 0.301 157 A C -1.128 176.163 177.584 -0.489 0.000 1.132 157 A CA -0.093 51.955 52.037 0.018 0.000 0.819 157 A CB 0.374 19.430 19.000 0.093 0.000 1.094 157 A HN 0.513 nan 8.150 nan 0.000 0.492 158 F N 0.650 120.574 119.950 -0.043 0.000 2.581 158 F HA 0.430 4.934 4.527 -0.037 0.000 0.311 158 F C -0.211 175.532 175.800 -0.095 0.000 1.113 158 F CA -0.684 57.239 58.000 -0.128 0.000 0.935 158 F CB 2.313 41.110 39.000 -0.338 0.000 1.232 158 F HN 0.319 nan 8.300 nan 0.000 0.445 159 V N 2.584 122.569 119.914 0.117 0.000 2.465 159 V HA 0.335 4.431 4.120 -0.041 0.000 0.279 159 V C -0.370 175.769 176.094 0.074 0.000 1.045 159 V CA -0.567 61.767 62.300 0.057 0.000 0.938 159 V CB 1.400 33.217 31.823 -0.010 0.000 0.986 159 V HN 0.768 nan 8.190 nan 0.000 0.467 160 Q N 2.913 122.705 119.800 -0.014 0.000 2.394 160 Q HA 0.239 4.554 4.340 -0.041 0.000 0.259 160 Q C 0.083 176.027 176.000 -0.093 0.000 1.021 160 Q CA -0.621 55.133 55.803 -0.082 0.000 0.805 160 Q CB 1.204 29.865 28.738 -0.128 0.000 1.226 160 Q HN 0.774 nan 8.270 nan 0.000 0.476 161 D N 3.441 123.771 120.400 -0.116 0.000 2.178 161 D HA -0.046 4.570 4.640 -0.041 0.000 0.201 161 D C 0.153 176.553 176.300 0.167 0.000 0.980 161 D CA 1.320 55.331 54.000 0.018 0.000 0.842 161 D CB 0.091 40.971 40.800 0.134 0.000 0.948 161 D HN 0.446 nan 8.370 nan 0.000 0.472 162 F N -3.942 116.003 119.950 -0.007 0.000 2.686 162 F HA 0.372 4.870 4.527 -0.049 0.000 0.311 162 F C -2.224 173.568 175.800 -0.015 0.000 1.128 162 F CA -2.073 55.919 58.000 -0.014 0.000 0.946 162 F CB 0.522 39.508 39.000 -0.023 0.000 1.336 162 F HN -0.402 nan 8.300 nan 0.000 0.457 163 P HA -0.239 nan 4.420 nan 0.000 0.218 163 P C 0.367 177.661 177.300 -0.009 0.000 1.154 163 P CA 2.186 65.319 63.100 0.054 0.000 0.872 163 P CB 0.190 31.947 31.700 0.095 0.000 0.790 164 E N -0.847 119.393 120.200 0.067 0.000 2.444 164 E HA 0.059 4.384 4.350 -0.041 0.000 0.191 164 E C 0.139 176.569 176.600 -0.282 0.000 1.041 164 E CA -0.343 56.051 56.400 -0.010 0.000 0.883 164 E CB -0.125 29.667 29.700 0.152 0.000 1.024 164 E HN 0.280 nan 8.360 nan 0.000 0.470 165 D N 0.635 120.564 120.400 -0.786 0.000 2.345 165 D HA 0.004 4.619 4.640 -0.041 0.000 0.247 165 D C -0.523 175.527 176.300 -0.416 0.000 1.108 165 D CA 0.004 53.437 54.000 -0.946 0.000 0.894 165 D CB 1.161 41.103 40.800 -1.431 0.000 1.203 165 D HN -0.182 nan 8.370 nan 0.000 0.430 166 S N 2.471 118.004 115.700 -0.278 0.000 2.411 166 S HA 0.393 4.838 4.470 -0.041 0.000 0.304 166 S C 1.126 175.624 174.600 -0.170 0.000 1.098 166 S CA -0.220 57.892 58.200 -0.147 0.000 1.068 166 S CB 0.121 63.288 63.200 -0.056 0.000 1.032 166 S HN 0.517 nan 8.310 nan 0.000 0.511 167 A N 4.984 127.599 122.820 -0.341 0.000 2.024 167 A HA -0.067 4.228 4.320 -0.041 0.000 0.220 167 A C 1.452 178.853 177.584 -0.305 0.000 1.164 167 A CA 1.108 52.947 52.037 -0.329 0.000 0.643 167 A CB -0.771 17.938 19.000 -0.485 0.000 0.806 167 A HN 0.995 nan 8.150 nan 0.000 0.451 168 W N -0.198 121.048 121.300 -0.090 0.000 2.387 168 W HA -0.021 4.619 4.660 -0.032 0.000 0.272 168 W C 2.402 179.028 176.519 0.179 0.000 1.224 168 W CA 0.797 58.097 57.345 -0.075 0.000 1.210 168 W CB -0.187 29.230 29.460 -0.071 0.000 1.125 168 W HN 0.373 nan 8.180 nan 0.000 0.572 169 A N -0.558 122.419 122.820 0.261 0.000 2.168 169 A HA -0.063 4.232 4.320 -0.041 0.000 0.215 169 A C 0.179 177.611 177.584 -0.253 0.000 1.152 169 A CA 0.800 52.896 52.037 0.098 0.000 0.716 169 A CB -0.848 18.123 19.000 -0.049 0.000 0.794 169 A HN 0.488 nan 8.150 nan 0.000 0.465 170 H N -0.149 119.041 119.070 0.200 0.000 2.386 170 H HA 0.259 4.803 4.556 -0.019 0.000 0.232 170 H C -2.783 172.575 175.328 0.051 0.000 1.416 170 H CA -2.042 54.065 56.048 0.100 0.000 1.285 170 H CB 0.481 30.279 29.762 0.059 0.000 1.625 170 H HN 0.291 nan 8.280 nan 0.000 0.521 171 P HA -0.005 nan 4.420 nan 0.000 0.275 171 P C 0.009 177.138 177.300 -0.285 0.000 1.228 171 P CA -0.242 62.664 63.100 -0.323 0.000 0.786 171 P CB 2.154 33.707 31.700 -0.245 0.000 0.927 172 V N 3.505 123.167 119.914 -0.419 0.000 2.240 172 V HA 0.137 4.233 4.120 -0.041 0.000 0.265 172 V C 0.702 176.639 176.094 -0.262 0.000 1.073 172 V CA -0.270 61.876 62.300 -0.257 0.000 0.857 172 V CB 0.168 31.846 31.823 -0.242 0.000 1.114 172 V HN 0.544 nan 8.190 nan 0.000 0.469 173 D N 2.965 123.211 120.400 -0.258 0.000 2.371 173 D HA 0.358 4.973 4.640 -0.041 0.000 0.242 173 D C 1.349 177.508 176.300 -0.235 0.000 1.218 173 D CA 1.387 55.144 54.000 -0.405 0.000 0.945 173 D CB 1.656 41.952 40.800 -0.841 0.000 1.137 173 D HN 0.723 nan 8.370 nan 0.000 0.464 174 G N 0.043 108.679 108.800 -0.273 0.000 2.168 174 G HA2 -0.223 3.713 3.960 -0.041 0.000 0.263 174 G HA3 -0.223 3.713 3.960 -0.041 0.000 0.263 174 G C -0.084 174.849 174.900 0.055 0.000 0.977 174 G CA 0.701 45.868 45.100 0.112 0.000 0.659 174 G HN 0.485 nan 8.290 nan 0.000 0.533 175 L N -0.276 120.941 121.223 -0.011 0.000 2.464 175 L HA 0.918 5.234 4.340 -0.041 0.000 0.266 175 L C -0.746 176.187 176.870 0.104 0.000 0.965 175 L CA -1.035 53.804 54.840 -0.002 0.000 0.833 175 L CB 2.418 44.395 42.059 -0.137 0.000 1.296 175 L HN 0.656 nan 8.230 nan 0.000 0.405 176 V N 3.817 123.824 119.914 0.156 0.000 3.077 176 V HA 0.976 5.071 4.120 -0.041 0.000 0.299 176 V C -1.442 174.686 176.094 0.056 0.000 1.276 176 V CA 0.344 62.766 62.300 0.203 0.000 0.993 176 V CB 2.104 34.073 31.823 0.243 0.000 1.076 176 V HN 1.238 nan 8.190 nan 0.000 0.434 177 A N 4.655 127.483 122.820 0.014 0.000 2.454 177 A HA 0.976 5.272 4.320 -0.041 0.000 0.302 177 A C -2.118 175.390 177.584 -0.127 0.000 1.079 177 A CA -0.468 51.455 52.037 -0.189 0.000 0.731 177 A CB 1.809 20.694 19.000 -0.191 0.000 1.299 177 A HN 0.883 nan 8.150 nan 0.000 0.413 178 Y N 0.195 120.374 120.300 -0.203 0.000 2.393 178 Y HA 0.581 5.108 4.550 -0.039 0.000 0.341 178 Y C 0.195 175.988 175.900 -0.178 0.000 0.988 178 Y CA -1.524 56.437 58.100 -0.232 0.000 1.078 178 Y CB 1.801 40.090 38.460 -0.285 0.000 1.203 178 Y HN 0.784 nan 8.280 nan 0.000 0.453 179 V N -0.728 119.193 119.914 0.012 0.000 2.789 179 V HA 0.575 4.670 4.120 -0.041 0.000 0.311 179 V C -0.916 175.168 176.094 -0.017 0.000 1.073 179 V CA -0.891 61.392 62.300 -0.027 0.000 0.921 179 V CB 2.397 34.182 31.823 -0.063 0.000 1.009 179 V HN 0.712 nan 8.190 nan 0.000 0.426 180 D N 3.216 123.607 120.400 -0.015 0.000 2.380 180 D HA 0.237 4.852 4.640 -0.041 0.000 0.230 180 D C 1.177 177.477 176.300 -0.001 0.000 1.154 180 D CA 0.133 54.128 54.000 -0.008 0.000 0.859 180 D CB 1.847 42.644 40.800 -0.005 0.000 1.045 180 D HN 0.796 nan 8.370 nan 0.000 0.495 181 V N 2.673 122.590 119.914 0.006 0.000 3.078 181 V HA -0.144 3.952 4.120 -0.041 0.000 0.265 181 V C 1.758 177.875 176.094 0.038 0.000 1.122 181 V CA 1.558 63.869 62.300 0.019 0.000 1.141 181 V CB -0.862 30.972 31.823 0.019 0.000 0.735 181 V HN 0.478 nan 8.190 nan 0.000 0.498 182 V N -0.530 119.409 119.914 0.042 0.000 2.492 182 V HA 0.049 4.145 4.120 -0.041 0.000 0.241 182 V C 2.553 178.664 176.094 0.028 0.000 1.041 182 V CA 1.541 63.875 62.300 0.056 0.000 1.057 182 V CB -0.763 31.103 31.823 0.072 0.000 0.711 182 V HN 0.610 nan 8.190 nan 0.000 0.468 183 S N -0.468 115.241 115.700 0.016 0.000 2.561 183 S HA 0.053 4.499 4.470 -0.041 0.000 0.225 183 S C 0.964 175.567 174.600 0.005 0.000 0.977 183 S CA 0.465 58.669 58.200 0.007 0.000 0.926 183 S CB -0.810 62.391 63.200 0.002 0.000 0.769 183 S HN 0.703 nan 8.310 nan 0.000 0.533 184 K N 1.748 122.151 120.400 0.006 0.000 3.419 184 K HA -0.175 4.120 4.320 -0.041 0.000 0.272 184 K C -0.539 176.055 176.600 -0.009 0.000 0.973 184 K CA 1.142 57.430 56.287 0.000 0.000 0.749 184 K CB -1.699 30.804 32.500 0.006 0.000 1.403 184 K HN 0.940 nan 8.250 nan 0.000 0.456 185 E N -1.523 118.668 120.200 -0.015 0.000 2.356 185 E HA 0.416 4.741 4.350 -0.041 0.000 0.275 185 E C -0.692 175.889 176.600 -0.032 0.000 0.904 185 E CA -1.240 55.148 56.400 -0.021 0.000 0.757 185 E CB 1.758 31.450 29.700 -0.013 0.000 1.232 185 E HN -0.048 nan 8.360 nan 0.000 0.442 186 V N 2.849 122.737 119.914 -0.043 0.000 2.372 186 V HA 0.045 4.140 4.120 -0.041 0.000 0.261 186 V C 1.463 177.530 176.094 -0.045 0.000 1.055 186 V CA 0.472 62.736 62.300 -0.060 0.000 0.930 186 V CB 0.339 32.116 31.823 -0.077 0.000 1.031 186 V HN 0.980 nan 8.190 nan 0.000 0.479 187 T N 2.707 117.240 114.554 -0.035 0.000 2.951 187 T HA 0.103 4.429 4.350 -0.041 0.000 0.268 187 T C 0.795 175.459 174.700 -0.061 0.000 1.073 187 T CA 0.563 62.646 62.100 -0.028 0.000 1.134 187 T CB 0.242 69.108 68.868 -0.004 0.000 0.884 187 T HN 0.538 nan 8.240 nan 0.000 0.479 188 R N -0.685 119.745 120.500 -0.116 0.000 2.604 188 R HA 0.622 4.938 4.340 -0.041 0.000 0.261 188 R C -2.238 173.879 176.300 -0.305 0.000 1.080 188 R CA -0.659 55.303 56.100 -0.230 0.000 0.917 188 R CB 2.751 32.836 30.300 -0.358 0.000 1.252 188 R HN 0.054 nan 8.270 nan 0.000 0.456 189 V N 4.272 124.061 119.914 -0.209 0.000 2.482 189 V HA 0.500 4.595 4.120 -0.041 0.000 0.295 189 V C -0.514 175.504 176.094 -0.127 0.000 1.026 189 V CA -0.571 61.663 62.300 -0.111 0.000 0.856 189 V CB 1.831 33.685 31.823 0.051 0.000 1.001 189 V HN 0.570 nan 8.190 nan 0.000 0.424 190 I N 4.056 124.536 120.570 -0.150 0.000 2.362 190 I HA 0.467 4.613 4.170 -0.041 0.000 0.289 190 I C -0.786 175.317 176.117 -0.024 0.000 0.994 190 I CA -0.197 61.044 61.300 -0.098 0.000 1.158 190 I CB 1.765 39.687 38.000 -0.130 0.000 1.315 190 I HN 0.505 nan 8.210 nan 0.000 0.451 191 D N 4.715 125.107 120.400 -0.013 0.000 2.454 191 D HA 0.154 4.770 4.640 -0.041 0.000 0.247 191 D C 0.857 177.170 176.300 0.022 0.000 1.129 191 D CA -0.292 53.706 54.000 -0.002 0.000 0.877 191 D CB 1.538 42.321 40.800 -0.029 0.000 1.082 191 D HN 0.633 nan 8.370 nan 0.000 0.537 192 T N 0.312 114.904 114.554 0.063 0.000 3.129 192 T HA 0.458 4.784 4.350 -0.041 0.000 0.251 192 T C 0.912 175.654 174.700 0.070 0.000 1.117 192 T CA 0.292 62.440 62.100 0.079 0.000 1.034 192 T CB 0.197 69.140 68.868 0.126 0.000 0.968 192 T HN 0.552 nan 8.240 nan 0.000 0.526 193 G N 0.115 108.952 108.800 0.062 0.000 2.317 193 G HA2 0.277 4.212 3.960 -0.041 0.000 0.445 193 G HA3 0.277 4.212 3.960 -0.041 0.000 0.445 193 G C -1.201 173.705 174.900 0.011 0.000 1.486 193 G CA -0.721 44.366 45.100 -0.022 0.000 0.991 193 G HN 0.294 nan 8.290 nan 0.000 0.660 194 V N 0.770 120.633 119.914 -0.084 0.000 2.686 194 V HA 0.655 4.750 4.120 -0.041 0.000 0.295 194 V C -0.109 175.904 176.094 -0.136 0.000 1.055 194 V CA 0.228 62.506 62.300 -0.037 0.000 1.050 194 V CB 0.829 32.612 31.823 -0.066 0.000 0.984 194 V HN 0.556 nan 8.190 nan 0.000 0.482 195 F N 3.748 123.659 119.950 -0.066 0.000 2.556 195 F HA 0.550 5.045 4.527 -0.054 0.000 0.314 195 F C -2.108 173.662 175.800 -0.051 0.000 1.106 195 F CA -2.443 55.524 58.000 -0.056 0.000 0.911 195 F CB 1.647 40.612 39.000 -0.059 0.000 1.190 195 F HN 0.326 nan 8.300 nan 0.000 0.448 196 P HA 0.122 nan 4.420 nan 0.000 0.268 196 P C -0.822 176.526 177.300 0.080 0.000 1.204 196 P CA -0.165 62.979 63.100 0.073 0.000 0.768 196 P CB 0.540 32.275 31.700 0.058 0.000 0.842 197 V N 6.543 126.485 119.914 0.046 0.000 2.455 197 V HA 0.149 4.244 4.120 -0.041 0.000 0.273 197 V C -1.845 174.300 176.094 0.086 0.000 1.045 197 V CA -1.510 60.818 62.300 0.046 0.000 0.976 197 V CB 0.385 32.217 31.823 0.015 0.000 0.993 197 V HN 0.583 nan 8.190 nan 0.000 0.475 198 P HA -0.008 nan 4.420 nan 0.000 0.260 198 P C 0.474 177.921 177.300 0.245 0.000 1.172 198 P CA 0.461 63.633 63.100 0.121 0.000 0.760 198 P CB 0.702 32.434 31.700 0.054 0.000 0.773 199 A N 3.782 126.708 122.820 0.176 0.000 1.903 199 A HA -0.047 4.248 4.320 -0.041 0.000 0.213 199 A C 0.860 178.610 177.584 0.278 0.000 1.185 199 A CA 0.638 52.788 52.037 0.188 0.000 0.628 199 A CB -0.546 18.515 19.000 0.102 0.000 0.830 199 A HN 0.556 nan 8.150 nan 0.000 0.446 200 E N 0.639 120.963 120.200 0.206 0.000 2.442 200 E HA 0.181 4.506 4.350 -0.041 0.000 0.262 200 E C -0.235 176.527 176.600 0.270 0.000 1.004 200 E CA 0.053 56.559 56.400 0.176 0.000 0.928 200 E CB 0.289 30.047 29.700 0.097 0.000 0.937 200 E HN 0.765 nan 8.360 nan 0.000 0.446 201 H N -0.217 119.023 119.070 0.283 0.000 2.508 201 H HA 0.454 4.983 4.556 -0.045 0.000 0.358 201 H C 0.511 175.947 175.328 0.179 0.000 1.212 201 H CA -0.783 55.402 56.048 0.229 0.000 1.356 201 H CB 1.093 31.000 29.762 0.241 0.000 1.525 201 H HN 0.473 nan 8.280 nan 0.000 0.578 202 G N 1.370 110.339 108.800 0.281 0.000 4.547 202 G HA2 0.054 3.989 3.960 -0.041 0.000 0.301 202 G HA3 0.054 3.989 3.960 -0.041 0.000 0.301 202 G C -0.654 174.230 174.900 -0.027 0.000 1.240 202 G CA -0.671 44.459 45.100 0.049 0.000 0.970 202 G HN 0.635 nan 8.290 nan 0.000 0.574 203 N N 1.731 120.566 118.700 0.224 0.000 2.482 203 N HA 0.101 4.816 4.740 -0.041 0.000 0.242 203 N C 0.735 176.157 175.510 -0.146 0.000 1.100 203 N CA -0.376 52.575 53.050 -0.165 0.000 0.946 203 N CB 0.650 39.038 38.487 -0.165 0.000 1.227 203 N HN 0.541 nan 8.380 nan 0.000 0.508 204 Y N -0.278 120.011 120.300 -0.018 0.000 2.680 204 Y HA -0.002 4.524 4.550 -0.040 0.000 0.303 204 Y C 1.693 177.588 175.900 -0.008 0.000 1.166 204 Y CA 0.204 58.281 58.100 -0.038 0.000 1.344 204 Y CB -0.638 37.759 38.460 -0.104 0.000 1.002 204 Y HN 0.298 nan 8.280 nan 0.000 0.537 205 T N -4.221 110.305 114.554 -0.047 0.000 3.044 205 T HA 0.072 4.398 4.350 -0.041 0.000 0.260 205 T C 0.046 174.748 174.700 0.004 0.000 1.019 205 T CA -0.263 61.847 62.100 0.017 0.000 0.921 205 T CB -0.110 68.755 68.868 -0.006 0.000 1.053 205 T HN 0.196 nan 8.240 nan 0.000 0.533 206 D N 2.646 123.047 120.400 0.001 0.000 2.325 206 D HA 0.262 4.878 4.640 -0.041 0.000 0.251 206 D C -1.689 174.643 176.300 0.054 0.000 1.196 206 D CA -2.413 51.594 54.000 0.012 0.000 0.866 206 D CB 1.923 42.714 40.800 -0.015 0.000 1.101 206 D HN -0.029 nan 8.370 nan 0.000 0.476 207 P HA -0.178 nan 4.420 nan 0.000 0.217 207 P C 0.954 178.288 177.300 0.057 0.000 1.148 207 P CA 1.257 64.381 63.100 0.040 0.000 0.828 207 P CB 0.088 31.802 31.700 0.024 0.000 0.783 208 E N -1.124 119.122 120.200 0.076 0.000 2.268 208 E HA -0.147 4.179 4.350 -0.041 0.000 0.195 208 E C 1.687 178.355 176.600 0.114 0.000 0.995 208 E CA 0.741 57.199 56.400 0.096 0.000 0.836 208 E CB -0.755 29.020 29.700 0.125 0.000 0.763 208 E HN 0.190 nan 8.360 nan 0.000 0.491 209 L N 1.325 122.631 121.223 0.139 0.000 2.388 209 L HA 0.070 4.386 4.340 -0.041 0.000 0.209 209 L C 2.324 179.240 176.870 0.077 0.000 1.061 209 L CA 1.801 56.709 54.840 0.114 0.000 0.834 209 L CB -0.075 42.090 42.059 0.176 0.000 1.029 209 L HN 0.296 nan 8.230 nan 0.000 0.473 210 T N -2.707 111.892 114.554 0.076 0.000 2.942 210 T HA 0.390 4.715 4.350 -0.041 0.000 0.265 210 T C 1.197 175.923 174.700 0.043 0.000 1.062 210 T CA 0.504 62.638 62.100 0.056 0.000 1.139 210 T CB -0.710 68.191 68.868 0.056 0.000 0.883 210 T HN 0.696 nan 8.240 nan 0.000 0.468 211 G N 1.940 110.766 108.800 0.044 0.000 2.782 211 G HA2 -0.049 3.887 3.960 -0.041 0.000 0.228 211 G HA3 -0.049 3.887 3.960 -0.041 0.000 0.228 211 G C -2.855 172.062 174.900 0.028 0.000 1.372 211 G CA -0.733 44.388 45.100 0.034 0.000 0.862 211 G HN 0.529 nan 8.290 nan 0.000 0.547 212 P HA 0.373 nan 4.420 nan 0.000 0.268 212 P C 0.562 177.872 177.300 0.018 0.000 1.204 212 P CA -0.235 62.876 63.100 0.018 0.000 0.768 212 P CB 0.382 32.091 31.700 0.015 0.000 0.842 213 L N 3.442 124.675 121.223 0.017 0.000 2.452 213 L HA 0.199 4.515 4.340 -0.041 0.000 0.267 213 L C 1.308 178.185 176.870 0.011 0.000 1.188 213 L CA -0.292 54.557 54.840 0.015 0.000 0.821 213 L CB 0.171 42.239 42.059 0.015 0.000 1.102 213 L HN 0.331 nan 8.230 nan 0.000 0.470 214 R N 0.423 120.928 120.500 0.010 0.000 2.590 214 R HA 0.101 4.417 4.340 -0.041 0.000 0.274 214 R C 0.618 176.922 176.300 0.006 0.000 1.061 214 R CA 0.260 56.364 56.100 0.007 0.000 1.081 214 R CB 0.360 30.663 30.300 0.005 0.000 0.984 214 R HN 0.725 nan 8.270 nan 0.000 0.448 215 T N -3.699 110.858 114.554 0.005 0.000 3.145 215 T HA -0.005 4.320 4.350 -0.041 0.000 0.281 215 T C 1.240 175.942 174.700 0.003 0.000 1.003 215 T CA -0.022 62.081 62.100 0.004 0.000 0.901 215 T CB 0.322 69.193 68.868 0.005 0.000 1.112 215 T HN 0.661 nan 8.240 nan 0.000 0.535 216 T N -0.615 113.941 114.554 0.002 0.000 3.081 216 T HA 0.171 4.496 4.350 -0.041 0.000 0.255 216 T C 0.690 175.390 174.700 -0.000 0.000 1.113 216 T CA -0.145 61.955 62.100 0.001 0.000 1.082 216 T CB -0.307 68.561 68.868 0.000 0.000 0.939 216 T HN 0.430 nan 8.240 nan 0.000 0.506 217 Q N 2.122 121.922 119.800 0.000 0.000 2.323 217 Q HA 0.287 4.602 4.340 -0.041 0.000 0.257 217 Q C -0.403 175.597 176.000 0.000 0.000 1.022 217 Q CA -0.341 55.461 55.803 -0.001 0.000 0.919 217 Q CB 0.826 29.564 28.738 -0.001 0.000 1.220 217 Q HN 0.188 nan 8.270 nan 0.000 0.427 218 K N 3.676 124.076 120.400 -0.001 0.000 2.185 218 K HA 0.350 4.645 4.320 -0.041 0.000 0.271 218 K C -1.920 174.680 176.600 0.001 0.000 1.013 218 K CA -1.685 54.602 56.287 0.000 0.000 0.943 218 K CB 0.333 32.832 32.500 -0.001 0.000 0.998 218 K HN 0.505 nan 8.250 nan 0.000 0.468 219 P HA 0.219 nan 4.420 nan 0.000 0.269 219 P C -0.465 176.837 177.300 0.004 0.000 1.209 219 P CA -0.038 63.064 63.100 0.004 0.000 0.776 219 P CB 0.627 32.330 31.700 0.005 0.000 0.876 220 I N 1.157 121.730 120.570 0.005 0.000 2.410 220 I HA 0.141 4.287 4.170 -0.041 0.000 0.286 220 I C 0.390 176.513 176.117 0.010 0.000 1.009 220 I CA -0.578 60.726 61.300 0.006 0.000 1.111 220 I CB 1.748 39.752 38.000 0.006 0.000 1.262 220 I HN 0.293 nan 8.210 nan 0.000 0.443 221 S N 7.321 123.028 115.700 0.011 0.000 2.422 221 S HA 0.619 5.064 4.470 -0.041 0.000 0.298 221 S C -0.665 173.946 174.600 0.018 0.000 1.118 221 S CA -0.420 57.788 58.200 0.013 0.000 1.083 221 S CB 0.194 63.402 63.200 0.012 0.000 0.971 221 S HN 0.372 nan 8.310 nan 0.000 0.478 222 I N 5.142 125.724 120.570 0.021 0.000 2.382 222 I HA 0.415 4.561 4.170 -0.041 0.000 0.285 222 I C 0.458 176.592 176.117 0.029 0.000 1.007 222 I CA 0.013 61.331 61.300 0.030 0.000 1.142 222 I CB 1.674 39.696 38.000 0.037 0.000 1.289 222 I HN 0.730 nan 8.210 nan 0.000 0.453 223 T N 1.977 116.551 114.554 0.032 0.000 2.865 223 T HA 0.650 4.976 4.350 -0.041 0.000 0.294 223 T C -0.718 174.003 174.700 0.035 0.000 1.119 223 T CA -0.903 61.215 62.100 0.029 0.000 1.007 223 T CB 1.946 70.827 68.868 0.021 0.000 1.225 223 T HN 0.447 nan 8.240 nan 0.000 0.515 224 Q N 1.416 121.233 119.800 0.028 0.000 2.695 224 Q HA 0.274 4.589 4.340 -0.041 0.000 0.246 224 Q C -1.925 174.083 176.000 0.013 0.000 0.961 224 Q CA -2.006 53.813 55.803 0.027 0.000 0.708 224 Q CB 2.128 30.883 28.738 0.029 0.000 1.282 224 Q HN 0.577 nan 8.270 nan 0.000 0.482 225 P HA -0.191 nan 4.420 nan 0.000 0.218 225 P C 0.052 177.354 177.300 0.003 0.000 1.146 225 P CA 1.341 64.446 63.100 0.008 0.000 0.813 225 P CB 0.496 32.202 31.700 0.010 0.000 0.778 226 E N -0.520 119.681 120.200 0.001 0.000 2.548 226 E HA 0.384 4.710 4.350 -0.041 0.000 0.206 226 E C 0.806 177.394 176.600 -0.020 0.000 1.005 226 E CA -0.034 56.362 56.400 -0.006 0.000 0.951 226 E CB 0.370 30.069 29.700 -0.002 0.000 1.035 226 E HN 0.213 nan 8.360 nan 0.000 0.470 227 G N 3.048 111.833 108.800 -0.025 0.000 2.796 227 G HA2 -0.193 3.742 3.960 -0.041 0.000 0.571 227 G HA3 -0.193 3.742 3.960 -0.041 0.000 0.571 227 G C -2.713 172.136 174.900 -0.085 0.000 1.370 227 G CA -0.891 44.173 45.100 -0.059 0.000 0.856 227 G HN 0.018 nan 8.290 nan 0.000 0.538 228 P HA 0.366 nan 4.420 nan 0.000 0.274 228 P C 0.569 177.744 177.300 -0.208 0.000 1.246 228 P CA 0.083 63.009 63.100 -0.290 0.000 0.795 228 P CB 1.285 32.472 31.700 -0.853 0.000 1.006 229 S N -0.050 115.655 115.700 0.008 0.000 2.558 229 S HA 0.121 4.566 4.470 -0.041 0.000 0.217 229 S C 0.683 175.440 174.600 0.262 0.000 0.975 229 S CA 0.089 58.374 58.200 0.143 0.000 0.912 229 S CB -0.730 62.617 63.200 0.245 0.000 0.776 229 S HN 0.566 nan 8.310 nan 0.000 0.526 230 F N 2.012 122.160 119.950 0.330 0.000 2.432 230 F HA 0.752 5.255 4.527 -0.041 0.000 0.329 230 F C 0.127 176.017 175.800 0.150 0.000 1.076 230 F CA -1.158 57.020 58.000 0.298 0.000 1.018 230 F CB 0.342 39.495 39.000 0.255 0.000 1.201 230 F HN -0.140 nan 8.300 nan 0.000 0.489 231 T N -0.158 114.610 114.554 0.356 0.000 2.885 231 T HA 0.745 5.071 4.350 -0.041 0.000 0.285 231 T C -1.142 173.732 174.700 0.289 0.000 1.019 231 T CA -0.802 61.432 62.100 0.222 0.000 1.010 231 T CB 1.498 70.457 68.868 0.153 0.000 1.022 231 T HN 0.684 nan 8.240 nan 0.000 0.466 232 V N 3.422 123.475 119.914 0.232 0.000 2.407 232 V HA 0.684 4.779 4.120 -0.041 0.000 0.291 232 V C 0.357 176.548 176.094 0.162 0.000 1.018 232 V CA -0.649 61.773 62.300 0.204 0.000 0.842 232 V CB 1.218 33.166 31.823 0.209 0.000 0.996 232 V HN 1.293 nan 8.190 nan 0.000 0.426 233 T N 0.171 114.834 114.554 0.183 0.000 2.916 233 T HA 0.688 5.013 4.350 -0.041 0.000 0.292 233 T C 0.843 175.633 174.700 0.151 0.000 1.055 233 T CA -0.050 62.141 62.100 0.152 0.000 1.009 233 T CB 1.793 70.750 68.868 0.148 0.000 1.118 233 T HN 1.724 nan 8.240 nan 0.000 0.497 234 G N -0.136 108.723 108.800 0.098 0.000 2.203 234 G HA2 0.098 4.033 3.960 -0.041 0.000 0.263 234 G HA3 0.098 4.033 3.960 -0.041 0.000 0.263 234 G C 1.340 176.295 174.900 0.092 0.000 1.012 234 G CA 0.993 46.143 45.100 0.083 0.000 0.749 234 G HN 2.407 nan 8.290 nan 0.000 0.512 235 G N -0.089 108.767 108.800 0.092 0.000 2.458 235 G HA2 -0.289 3.647 3.960 -0.041 0.000 0.237 235 G HA3 -0.289 3.647 3.960 -0.041 0.000 0.237 235 G C 0.900 175.854 174.900 0.090 0.000 1.113 235 G CA 1.338 46.488 45.100 0.083 0.000 0.655 235 G HN 2.206 nan 8.290 nan 0.000 0.513 236 N N -0.192 118.573 118.700 0.109 0.000 2.217 236 N HA 0.176 4.892 4.740 -0.041 0.000 0.239 236 N C -0.275 175.299 175.510 0.106 0.000 1.330 236 N CA 0.319 53.425 53.050 0.093 0.000 0.838 236 N CB -0.212 38.325 38.487 0.084 0.000 1.287 236 N HN 0.551 nan 8.380 nan 0.000 0.498 237 H N 1.390 120.495 119.070 0.058 0.000 2.604 237 H HA 0.470 5.001 4.556 -0.041 0.000 0.306 237 H C -0.443 174.926 175.328 0.069 0.000 1.075 237 H CA -0.298 55.783 56.048 0.055 0.000 1.357 237 H CB 0.565 30.364 29.762 0.061 0.000 1.426 237 H HN 0.003 nan 8.280 nan 0.000 0.470 238 I N 4.693 125.012 120.570 -0.418 0.000 2.412 238 I HA 0.288 4.433 4.170 -0.041 0.000 0.296 238 I C -0.114 175.885 176.117 -0.197 0.000 0.987 238 I CA -0.602 60.576 61.300 -0.202 0.000 1.180 238 I CB 1.524 39.417 38.000 -0.178 0.000 1.340 238 I HN 0.707 nan 8.210 nan 0.000 0.455 239 E N 5.096 125.336 120.200 0.067 0.000 2.241 239 E HA 0.377 4.702 4.350 -0.041 0.000 0.263 239 E C -1.842 174.952 176.600 0.323 0.000 0.882 239 E CA -0.588 55.904 56.400 0.153 0.000 0.769 239 E CB 2.633 32.425 29.700 0.154 0.000 1.185 239 E HN 0.569 nan 8.360 nan 0.000 0.415 240 W N 3.932 125.300 121.300 0.114 0.000 3.326 240 W HA 0.172 4.807 4.660 -0.040 0.000 0.333 240 W C -0.676 175.944 176.519 0.169 0.000 1.108 240 W CA -0.402 57.039 57.345 0.159 0.000 1.245 240 W CB 1.007 30.559 29.460 0.154 0.000 1.331 240 W HN 0.347 nan 8.180 nan 0.000 0.464 241 E N 5.843 125.688 120.200 -0.591 0.000 2.149 241 E HA -0.322 4.003 4.350 -0.041 0.000 0.191 241 E C 0.556 176.860 176.600 -0.495 0.000 1.384 241 E CA 1.891 57.875 56.400 -0.693 0.000 0.698 241 E CB -0.995 27.891 29.700 -1.356 0.000 1.086 241 E HN 0.889 nan 8.360 nan 0.000 0.338 242 K N -3.814 116.334 120.400 -0.419 0.000 3.609 242 K HA -0.247 4.048 4.320 -0.041 0.000 0.277 242 K C 0.186 176.366 176.600 -0.700 0.000 1.196 242 K CA 1.756 57.643 56.287 -0.667 0.000 1.022 242 K CB -1.392 30.413 32.500 -1.158 0.000 1.292 242 K HN 0.262 nan 8.250 nan 0.000 0.484 243 W N 1.720 122.820 121.300 -0.334 0.000 2.237 243 W HA 0.420 5.056 4.660 -0.040 0.000 0.335 243 W C 0.676 177.172 176.519 -0.040 0.000 1.230 243 W CA 0.003 57.291 57.345 -0.095 0.000 1.253 243 W CB 1.361 30.913 29.460 0.153 0.000 1.129 243 W HN 0.001 nan 8.180 nan 0.000 0.590 244 S N 3.981 119.839 115.700 0.262 0.000 2.575 244 S HA 0.815 5.260 4.470 -0.041 0.000 0.278 244 S C -1.141 173.483 174.600 0.041 0.000 1.139 244 S CA -0.746 57.510 58.200 0.093 0.000 0.954 244 S CB 0.088 63.359 63.200 0.118 0.000 1.054 244 S HN 0.574 nan 8.310 nan 0.000 0.483 245 L N 1.081 122.209 121.223 -0.159 0.000 2.940 245 L HA 0.759 5.074 4.340 -0.041 0.000 0.270 245 L C -2.099 174.637 176.870 -0.223 0.000 1.030 245 L CA -1.067 53.684 54.840 -0.148 0.000 0.928 245 L CB 1.660 43.640 42.059 -0.131 0.000 1.506 245 L HN 0.402 nan 8.230 nan 0.000 0.405 246 D N 1.348 121.683 120.400 -0.107 0.000 2.502 246 D HA 0.476 5.091 4.640 -0.041 0.000 0.249 246 D C -0.854 175.447 176.300 0.002 0.000 1.092 246 D CA -0.269 53.727 54.000 -0.007 0.000 0.839 246 D CB 3.268 44.103 40.800 0.059 0.000 1.264 246 D HN 0.359 nan 8.370 nan 0.000 0.511 247 V N 2.225 122.139 119.914 0.000 0.000 2.334 247 V HA 0.471 4.567 4.120 -0.041 0.000 0.267 247 V C 0.956 177.102 176.094 0.086 0.000 1.040 247 V CA -0.365 61.928 62.300 -0.012 0.000 0.866 247 V CB 1.064 32.858 31.823 -0.049 0.000 1.019 247 V HN 0.594 nan 8.190 nan 0.000 0.468 248 G N 3.165 112.050 108.800 0.143 0.000 2.521 248 G HA2 0.703 4.638 3.960 -0.041 0.000 0.323 248 G HA3 0.703 4.638 3.960 -0.041 0.000 0.323 248 G C -1.527 173.466 174.900 0.154 0.000 1.211 248 G CA -0.463 44.758 45.100 0.202 0.000 0.979 248 G HN 0.471 nan 8.290 nan 0.000 0.490 249 F N -0.026 119.902 119.950 -0.036 0.000 2.588 249 F HA 0.506 5.009 4.527 -0.041 0.000 0.318 249 F C -1.437 174.309 175.800 -0.090 0.000 1.155 249 F CA -0.946 56.983 58.000 -0.118 0.000 0.967 249 F CB 2.558 41.475 39.000 -0.139 0.000 1.236 249 F HN 0.517 nan 8.300 nan 0.000 0.455 250 D N 3.662 123.650 120.400 -0.687 0.000 2.619 250 D HA 0.306 4.921 4.640 -0.041 0.000 0.241 250 D C 0.160 176.077 176.300 -0.638 0.000 1.087 250 D CA -0.541 53.207 54.000 -0.420 0.000 0.851 250 D CB 2.455 43.145 40.800 -0.184 0.000 1.474 250 D HN 0.370 nan 8.370 nan 0.000 0.478 251 V N 4.136 123.866 119.914 -0.307 0.000 2.594 251 V HA -0.111 3.985 4.120 -0.041 0.000 0.253 251 V C 2.005 178.023 176.094 -0.126 0.000 1.069 251 V CA 2.148 64.322 62.300 -0.211 0.000 1.082 251 V CB -0.379 31.372 31.823 -0.120 0.000 0.680 251 V HN 0.619 nan 8.190 nan 0.000 0.469 252 R N -0.459 120.027 120.500 -0.023 0.000 2.064 252 R HA -0.012 4.303 4.340 -0.041 0.000 0.221 252 R C 2.183 178.429 176.300 -0.090 0.000 1.136 252 R CA 1.532 57.615 56.100 -0.028 0.000 0.980 252 R CB -0.169 30.076 30.300 -0.092 0.000 0.876 252 R HN 0.572 nan 8.270 nan 0.000 0.437 253 E N -0.545 119.581 120.200 -0.123 0.000 2.318 253 E HA 0.145 4.470 4.350 -0.041 0.000 0.193 253 E C 0.725 177.163 176.600 -0.270 0.000 0.998 253 E CA 0.354 56.690 56.400 -0.107 0.000 0.859 253 E CB 0.615 30.295 29.700 -0.033 0.000 0.812 253 E HN 0.566 nan 8.360 nan 0.000 0.492 254 G N 0.865 109.291 108.800 -0.623 0.000 2.496 254 G HA2 -0.297 3.638 3.960 -0.041 0.000 0.243 254 G HA3 -0.297 3.638 3.960 -0.041 0.000 0.243 254 G C -0.099 174.197 174.900 -1.007 0.000 1.176 254 G CA -0.313 44.087 45.100 -1.167 0.000 0.940 254 G HN 0.102 nan 8.290 nan 0.000 0.573 255 V N 0.821 120.300 119.914 -0.725 0.000 2.572 255 V HA 0.450 4.546 4.120 -0.041 0.000 0.291 255 V C 0.690 176.716 176.094 -0.114 0.000 1.039 255 V CA 0.113 62.311 62.300 -0.171 0.000 1.055 255 V CB 1.051 32.952 31.823 0.130 0.000 0.969 255 V HN 0.896 nan 8.190 nan 0.000 0.482 256 V N 6.640 126.438 119.914 -0.193 0.000 2.588 256 V HA 0.450 4.546 4.120 -0.041 0.000 0.304 256 V C -0.247 175.549 176.094 -0.497 0.000 1.042 256 V CA -0.616 61.473 62.300 -0.350 0.000 0.877 256 V CB 1.923 33.545 31.823 -0.334 0.000 0.996 256 V HN 0.611 nan 8.190 nan 0.000 0.425 257 L N 5.155 125.962 121.223 -0.693 0.000 2.275 257 L HA 0.604 4.920 4.340 -0.041 0.000 0.288 257 L C -0.321 176.173 176.870 -0.628 0.000 1.046 257 L CA -0.506 53.961 54.840 -0.622 0.000 0.805 257 L CB 0.798 42.403 42.059 -0.756 0.000 1.193 257 L HN 0.611 nan 8.230 nan 0.000 0.426 258 H N 3.695 122.591 119.070 -0.290 0.000 2.569 258 H HA 0.265 4.796 4.556 -0.041 0.000 0.357 258 H C -0.126 174.991 175.328 -0.352 0.000 1.153 258 H CA -0.711 55.136 56.048 -0.335 0.000 1.193 258 H CB 1.852 31.360 29.762 -0.423 0.000 1.602 258 H HN 0.564 nan 8.280 nan 0.000 0.523 259 N N 1.237 119.800 118.700 -0.228 0.000 2.705 259 N HA -0.202 4.514 4.740 -0.041 0.000 0.255 259 N C -0.546 174.904 175.510 -0.099 0.000 1.008 259 N CA 0.377 53.309 53.050 -0.197 0.000 0.742 259 N CB -1.241 37.080 38.487 -0.277 0.000 0.906 259 N HN 0.400 nan 8.380 nan 0.000 0.541 260 I N 0.837 121.354 120.570 -0.088 0.000 2.587 260 I HA 0.270 4.416 4.170 -0.041 0.000 0.284 260 I C 1.020 177.192 176.117 0.092 0.000 1.134 260 I CA 0.160 61.471 61.300 0.020 0.000 1.410 260 I CB 0.666 38.662 38.000 -0.008 0.000 1.392 260 I HN 0.369 nan 8.210 nan 0.000 0.545 261 A N 6.223 129.157 122.820 0.190 0.000 2.566 261 A HA 0.817 5.113 4.320 -0.041 0.000 0.292 261 A C -1.546 176.161 177.584 0.205 0.000 1.112 261 A CA -0.531 51.603 52.037 0.161 0.000 0.707 261 A CB 1.203 20.257 19.000 0.089 0.000 1.302 261 A HN 0.402 nan 8.150 nan 0.000 0.409 262 F N 0.590 120.524 119.950 -0.026 0.000 2.518 262 F HA 0.664 5.166 4.527 -0.041 0.000 0.323 262 F C 0.173 175.975 175.800 0.003 0.000 1.129 262 F CA -0.651 57.266 58.000 -0.139 0.000 0.920 262 F CB 1.766 40.621 39.000 -0.242 0.000 1.160 262 F HN 0.549 nan 8.300 nan 0.000 0.440 263 R N 4.031 124.451 120.500 -0.134 0.000 2.309 263 R HA 0.171 4.486 4.340 -0.041 0.000 0.331 263 R C -1.251 175.154 176.300 0.174 0.000 1.116 263 R CA -0.035 56.067 56.100 0.002 0.000 0.970 263 R CB -0.472 29.764 30.300 -0.107 0.000 1.024 263 R HN 0.508 nan 8.270 nan 0.000 0.472 264 D N 3.835 124.413 120.400 0.297 0.000 2.473 264 D HA 0.390 5.006 4.640 -0.041 0.000 0.226 264 D C 0.823 177.217 176.300 0.156 0.000 1.089 264 D CA 0.928 55.127 54.000 0.332 0.000 0.883 264 D CB 0.551 41.576 40.800 0.374 0.000 1.029 264 D HN 0.659 nan 8.370 nan 0.000 0.517 265 G N 4.954 113.820 108.800 0.110 0.000 2.595 265 G HA2 -0.375 3.561 3.960 -0.041 0.000 0.297 265 G HA3 -0.375 3.561 3.960 -0.041 0.000 0.297 265 G C 0.721 175.644 174.900 0.038 0.000 1.181 265 G CA 0.588 45.724 45.100 0.059 0.000 0.963 265 G HN 0.595 nan 8.290 nan 0.000 0.541 266 D N 0.937 121.355 120.400 0.031 0.000 2.349 266 D HA 0.291 4.906 4.640 -0.041 0.000 0.214 266 D C 1.094 177.407 176.300 0.021 0.000 1.063 266 D CA 0.801 54.813 54.000 0.020 0.000 0.847 266 D CB 0.003 40.810 40.800 0.012 0.000 0.933 266 D HN 0.923 nan 8.370 nan 0.000 0.513 267 R N -0.130 120.389 120.500 0.031 0.000 2.686 267 R HA 0.494 4.809 4.340 -0.041 0.000 0.286 267 R C -1.122 175.208 176.300 0.050 0.000 0.969 267 R CA -0.975 55.142 56.100 0.028 0.000 0.898 267 R CB 1.414 31.720 30.300 0.011 0.000 1.183 267 R HN -0.003 nan 8.270 nan 0.000 0.456 268 L N 3.873 125.122 121.223 0.043 0.000 2.295 268 L HA 0.359 4.674 4.340 -0.041 0.000 0.288 268 L C -0.314 176.595 176.870 0.065 0.000 1.079 268 L CA -0.539 54.337 54.840 0.060 0.000 0.830 268 L CB 0.504 42.591 42.059 0.047 0.000 1.200 268 L HN 0.630 nan 8.230 nan 0.000 0.438 269 R N 6.466 127.038 120.500 0.119 0.000 2.229 269 R HA 0.367 4.683 4.340 -0.041 0.000 0.328 269 R C -2.356 174.033 176.300 0.148 0.000 1.009 269 R CA -1.707 54.467 56.100 0.124 0.000 0.864 269 R CB 0.867 31.261 30.300 0.157 0.000 1.085 269 R HN 0.403 nan 8.270 nan 0.000 0.453 270 P HA 0.102 nan 4.420 nan 0.000 0.275 270 P C -0.291 176.999 177.300 -0.017 0.000 1.228 270 P CA -0.108 62.981 63.100 -0.018 0.000 0.786 270 P CB 1.164 32.779 31.700 -0.142 0.000 0.927 271 I N 1.859 122.367 120.570 -0.104 0.000 3.650 271 I HA 0.266 4.411 4.170 -0.041 0.000 0.261 271 I C 0.810 176.793 176.117 -0.223 0.000 1.154 271 I CA 0.632 61.772 61.300 -0.267 0.000 1.418 271 I CB 0.065 37.794 38.000 -0.452 0.000 1.539 271 I HN 0.226 nan 8.210 nan 0.000 0.449 272 I N 0.699 121.171 120.570 -0.164 0.000 2.499 272 I HA 0.216 4.361 4.170 -0.041 0.000 0.288 272 I C 0.451 176.490 176.117 -0.130 0.000 1.048 272 I CA -0.322 60.894 61.300 -0.139 0.000 1.062 272 I CB 2.071 39.990 38.000 -0.136 0.000 1.238 272 I HN -0.010 nan 8.210 nan 0.000 0.426 273 N N 4.471 123.116 118.700 -0.092 0.000 2.216 273 N HA 0.008 4.723 4.740 -0.041 0.000 0.183 273 N C 0.378 175.836 175.510 -0.087 0.000 1.017 273 N CA 1.325 54.345 53.050 -0.050 0.000 0.861 273 N CB 0.384 38.953 38.487 0.137 0.000 0.986 273 N HN 0.559 nan 8.380 nan 0.000 0.428 274 R N -0.621 119.799 120.500 -0.134 0.000 2.536 274 R HA 0.584 4.900 4.340 -0.041 0.000 0.269 274 R C -2.100 174.030 176.300 -0.284 0.000 1.113 274 R CA -0.622 55.336 56.100 -0.237 0.000 0.948 274 R CB 1.336 31.549 30.300 -0.146 0.000 1.237 274 R HN 0.070 nan 8.270 nan 0.000 0.441 275 A N 2.351 124.922 122.820 -0.415 0.000 2.356 275 A HA 0.756 5.052 4.320 -0.041 0.000 0.310 275 A C -1.045 176.289 177.584 -0.417 0.000 1.075 275 A CA -0.392 51.401 52.037 -0.407 0.000 0.746 275 A CB 1.592 20.219 19.000 -0.620 0.000 1.221 275 A HN 0.844 nan 8.150 nan 0.000 0.443 276 S N 0.726 116.362 115.700 -0.107 0.000 2.611 276 S HA 0.664 5.110 4.470 -0.041 0.000 0.268 276 S C -1.308 173.410 174.600 0.196 0.000 1.156 276 S CA -0.625 57.605 58.200 0.050 0.000 0.817 276 S CB 0.563 63.721 63.200 -0.070 0.000 1.122 276 S HN 0.561 nan 8.310 nan 0.000 0.466 277 I N 2.128 122.840 120.570 0.237 0.000 2.287 277 I HA 0.528 4.674 4.170 -0.041 0.000 0.290 277 I C 1.199 177.416 176.117 0.167 0.000 1.069 277 I CA -0.332 61.096 61.300 0.214 0.000 1.237 277 I CB 0.783 39.007 38.000 0.373 0.000 1.418 277 I HN 0.942 nan 8.210 nan 0.000 0.481 278 A N 4.216 127.106 122.820 0.117 0.000 2.206 278 A HA 0.185 4.480 4.320 -0.041 0.000 0.211 278 A C 0.764 178.398 177.584 0.083 0.000 1.158 278 A CA 0.911 53.039 52.037 0.153 0.000 0.761 278 A CB -0.141 18.971 19.000 0.186 0.000 0.801 278 A HN 0.608 nan 8.150 nan 0.000 0.473 279 E N -1.954 118.229 120.200 -0.028 0.000 2.392 279 E HA 0.548 4.874 4.350 -0.041 0.000 0.281 279 E C -1.345 175.177 176.600 -0.129 0.000 1.088 279 E CA -0.328 55.994 56.400 -0.130 0.000 0.850 279 E CB 0.788 30.234 29.700 -0.423 0.000 1.267 279 E HN 0.154 nan 8.360 nan 0.000 0.438 280 M N 3.964 123.480 119.600 -0.139 0.000 2.234 280 M HA 0.479 4.935 4.480 -0.041 0.000 0.267 280 M C -1.988 174.057 176.300 -0.424 0.000 1.022 280 M CA -0.786 54.281 55.300 -0.388 0.000 0.993 280 M CB 1.517 33.816 32.600 -0.503 0.000 1.836 280 M HN 0.436 nan 8.290 nan 0.000 0.479 281 V N 5.633 125.247 119.914 -0.500 0.000 2.680 281 V HA 0.731 4.827 4.120 -0.041 0.000 0.309 281 V C -1.348 174.313 176.094 -0.721 0.000 1.052 281 V CA -0.322 61.532 62.300 -0.744 0.000 0.908 281 V CB 2.308 33.612 31.823 -0.866 0.000 1.001 281 V HN 0.656 nan 8.190 nan 0.000 0.431 282 V N 8.654 128.087 119.914 -0.803 0.000 2.289 282 V HA 0.418 4.514 4.120 -0.041 0.000 0.272 282 V C -2.402 173.460 176.094 -0.386 0.000 1.026 282 V CA -1.327 60.621 62.300 -0.587 0.000 0.807 282 V CB 1.397 32.947 31.823 -0.455 0.000 1.044 282 V HN 0.817 nan 8.190 nan 0.000 0.443 283 P HA 0.343 nan 4.420 nan 0.000 0.292 283 P C -1.318 175.816 177.300 -0.278 0.000 1.287 283 P CA -0.383 62.582 63.100 -0.226 0.000 0.800 283 P CB 1.119 32.684 31.700 -0.225 0.000 0.945 284 Y N 0.823 121.050 120.300 -0.122 0.000 2.323 284 Y HA 0.454 4.980 4.550 -0.039 0.000 0.331 284 Y C 1.750 177.615 175.900 -0.059 0.000 1.092 284 Y CA 0.321 58.369 58.100 -0.086 0.000 1.150 284 Y CB 1.375 39.720 38.460 -0.192 0.000 1.200 284 Y HN 0.483 nan 8.280 nan 0.000 0.472 285 G N 1.464 110.309 108.800 0.074 0.000 3.707 285 G HA2 0.007 3.942 3.960 -0.041 0.000 0.286 285 G HA3 0.007 3.942 3.960 -0.041 0.000 0.286 285 G C -0.698 174.242 174.900 0.067 0.000 1.112 285 G CA -0.186 44.960 45.100 0.076 0.000 0.861 285 G HN 0.511 nan 8.290 nan 0.000 0.534 286 D N 1.112 121.537 120.400 0.040 0.000 2.317 286 D HA 0.255 4.870 4.640 -0.041 0.000 0.234 286 D C -1.107 175.169 176.300 -0.041 0.000 1.112 286 D CA -2.407 51.577 54.000 -0.026 0.000 0.840 286 D CB 2.322 43.099 40.800 -0.038 0.000 1.078 286 D HN 0.036 nan 8.370 nan 0.000 0.486 287 P HA -0.041 nan 4.420 nan 0.000 0.242 287 P C 0.385 177.673 177.300 -0.020 0.000 1.197 287 P CA 0.000 63.090 63.100 -0.018 0.000 0.765 287 P CB 0.169 31.868 31.700 -0.001 0.000 0.936 288 S N 2.485 118.161 115.700 -0.039 0.000 2.549 288 S HA 0.088 4.533 4.470 -0.041 0.000 0.286 288 S C -0.940 173.659 174.600 -0.001 0.000 1.314 288 S CA -1.067 57.120 58.200 -0.021 0.000 1.062 288 S CB 0.183 63.349 63.200 -0.056 0.000 0.865 288 S HN 0.035 nan 8.310 nan 0.000 0.498 289 P HA -0.082 nan 4.420 nan 0.000 0.228 289 P C 1.274 178.712 177.300 0.231 0.000 1.151 289 P CA 0.591 63.772 63.100 0.134 0.000 0.770 289 P CB -0.044 31.740 31.700 0.140 0.000 0.786 290 I N -0.228 120.429 120.570 0.144 0.000 2.546 290 I HA -0.063 4.083 4.170 -0.041 0.000 0.255 290 I C 2.020 178.257 176.117 0.200 0.000 1.163 290 I CA 1.193 62.619 61.300 0.211 0.000 1.457 290 I CB -0.854 37.174 38.000 0.045 0.000 1.092 290 I HN 0.051 nan 8.210 nan 0.000 0.434 291 R N -0.663 119.737 120.500 -0.167 0.000 2.539 291 R HA 0.095 4.410 4.340 -0.041 0.000 0.342 291 R C 1.874 177.689 176.300 -0.808 0.000 0.941 291 R CA 0.475 56.161 56.100 -0.691 0.000 1.146 291 R CB 0.275 30.314 30.300 -0.434 0.000 1.541 291 R HN 0.240 nan 8.270 nan 0.000 0.525 292 S N 0.836 116.275 115.700 -0.435 0.000 2.500 292 S HA -0.118 4.327 4.470 -0.041 0.000 0.239 292 S C 1.384 175.792 174.600 -0.320 0.000 0.989 292 S CA 0.491 58.530 58.200 -0.268 0.000 0.951 292 S CB -0.399 62.740 63.200 -0.101 0.000 0.759 292 S HN 0.613 nan 8.310 nan 0.000 0.523 293 W N 0.516 121.663 121.300 -0.255 0.000 3.211 293 W HA 0.385 5.018 4.660 -0.045 0.000 0.292 293 W C 0.517 177.062 176.519 0.043 0.000 1.268 293 W CA -0.650 56.426 57.345 -0.448 0.000 1.702 293 W CB -0.656 28.413 29.460 -0.652 0.000 1.092 293 W HN 0.279 nan 8.180 nan 0.000 0.643 294 Q N 2.942 122.302 119.800 -0.733 0.000 2.276 294 Q HA 0.081 4.397 4.340 -0.041 0.000 0.267 294 Q C -0.766 175.244 176.000 0.017 0.000 1.135 294 Q CA 0.720 56.200 55.803 -0.539 0.000 0.910 294 Q CB 0.030 28.137 28.738 -1.050 0.000 1.271 294 Q HN 0.037 nan 8.270 nan 0.000 0.417 295 N N 4.278 123.113 118.700 0.224 0.000 2.572 295 N HA 0.117 4.832 4.740 -0.041 0.000 0.287 295 N C -1.834 173.851 175.510 0.293 0.000 1.136 295 N CA -0.455 52.704 53.050 0.182 0.000 0.900 295 N CB 1.362 39.962 38.487 0.188 0.000 1.484 295 N HN 0.497 nan 8.380 nan 0.000 0.526 296 Y N 0.206 120.558 120.300 0.085 0.000 2.341 296 Y HA 0.677 5.204 4.550 -0.039 0.000 0.338 296 Y C -1.344 174.630 175.900 0.123 0.000 0.965 296 Y CA -1.141 57.112 58.100 0.254 0.000 1.108 296 Y CB 0.636 39.228 38.460 0.220 0.000 1.180 296 Y HN 0.177 nan 8.280 nan 0.000 0.458 297 F N 4.338 124.373 119.950 0.142 0.000 2.377 297 F HA 0.530 5.032 4.527 -0.041 0.000 0.360 297 F C 1.301 177.230 175.800 0.216 0.000 1.147 297 F CA -0.259 57.754 58.000 0.020 0.000 1.170 297 F CB 0.861 39.897 39.000 0.060 0.000 1.339 297 F HN 0.928 nan 8.300 nan 0.000 0.552 298 A N 2.218 125.135 122.820 0.162 0.000 1.892 298 A HA -0.181 4.114 4.320 -0.041 0.000 0.218 298 A C 2.207 180.034 177.584 0.404 0.000 1.188 298 A CA 2.514 54.816 52.037 0.443 0.000 0.631 298 A CB -0.803 18.393 19.000 0.327 0.000 0.822 298 A HN 0.634 nan 8.150 nan 0.000 0.447 299 T N -0.668 114.025 114.554 0.232 0.000 2.668 299 T HA 0.067 4.392 4.350 -0.041 0.000 0.258 299 T C 2.052 176.800 174.700 0.081 0.000 1.051 299 T CA 1.320 63.510 62.100 0.150 0.000 1.155 299 T CB -0.831 68.081 68.868 0.072 0.000 0.864 299 T HN 0.545 nan 8.240 nan 0.000 0.413 300 G N 0.989 109.824 108.800 0.059 0.000 2.408 300 G HA2 -0.148 3.787 3.960 -0.041 0.000 0.217 300 G HA3 -0.148 3.787 3.960 -0.041 0.000 0.217 300 G C 1.464 176.356 174.900 -0.013 0.000 1.150 300 G CA 0.627 45.678 45.100 -0.081 0.000 0.776 300 G HN 0.517 nan 8.290 nan 0.000 0.542 301 E N -1.166 119.131 120.200 0.162 0.000 2.166 301 E HA 0.083 4.408 4.350 -0.041 0.000 0.192 301 E C 1.778 178.400 176.600 0.035 0.000 0.967 301 E CA 0.390 56.840 56.400 0.084 0.000 0.840 301 E CB 0.083 29.879 29.700 0.160 0.000 0.795 301 E HN 0.565 nan 8.360 nan 0.000 0.470 302 Y N -0.009 120.484 120.300 0.321 0.000 2.481 302 Y HA 0.287 4.812 4.550 -0.041 0.000 0.258 302 Y C -0.001 176.138 175.900 0.399 0.000 1.103 302 Y CA -0.046 58.313 58.100 0.431 0.000 1.287 302 Y CB 0.559 39.332 38.460 0.523 0.000 1.108 302 Y HN -0.151 nan 8.280 nan 0.000 0.529 303 L N 0.682 122.136 121.223 0.385 0.000 3.000 303 L HA -0.206 4.109 4.340 -0.041 0.000 0.682 303 L C 1.086 178.118 176.870 0.269 0.000 1.047 303 L CA 0.001 54.974 54.840 0.222 0.000 1.334 303 L CB -1.673 40.470 42.059 0.139 0.000 1.859 303 L HN 0.153 nan 8.230 nan 0.000 0.890 304 V N -0.536 119.549 119.914 0.285 0.000 2.469 304 V HA -0.146 3.950 4.120 -0.041 0.000 0.251 304 V C 2.225 178.478 176.094 0.265 0.000 1.064 304 V CA 2.241 64.755 62.300 0.356 0.000 1.066 304 V CB -0.637 31.384 31.823 0.329 0.000 0.667 304 V HN 0.837 nan 8.190 nan 0.000 0.461 305 G N -0.024 108.789 108.800 0.022 0.000 2.432 305 G HA2 -0.327 3.608 3.960 -0.041 0.000 0.219 305 G HA3 -0.327 3.608 3.960 -0.041 0.000 0.219 305 G C 1.575 176.556 174.900 0.135 0.000 1.135 305 G CA 0.932 45.978 45.100 -0.090 0.000 0.767 305 G HN 0.710 nan 8.290 nan 0.000 0.550 306 Q N -0.658 119.120 119.800 -0.038 0.000 2.181 306 Q HA -0.140 4.175 4.340 -0.041 0.000 0.205 306 Q C 1.049 176.877 176.000 -0.286 0.000 0.980 306 Q CA 1.175 56.839 55.803 -0.232 0.000 0.862 306 Q CB -0.232 28.206 28.738 -0.501 0.000 0.905 306 Q HN 0.577 nan 8.270 nan 0.000 0.429 307 Y N 0.025 120.495 120.300 0.283 0.000 2.658 307 Y HA 0.480 5.007 4.550 -0.039 0.000 0.276 307 Y C 0.322 176.410 175.900 0.313 0.000 1.167 307 Y CA -0.438 57.832 58.100 0.284 0.000 1.230 307 Y CB -0.092 38.545 38.460 0.296 0.000 1.144 307 Y HN 0.125 nan 8.280 nan 0.000 0.529 308 A N 1.065 124.138 122.820 0.421 0.000 2.511 308 A HA 0.146 4.442 4.320 -0.041 0.000 0.242 308 A C 0.326 178.109 177.584 0.332 0.000 1.069 308 A CA -0.355 51.961 52.037 0.465 0.000 0.763 308 A CB 0.022 19.295 19.000 0.455 0.000 1.001 308 A HN 0.361 nan 8.150 nan 0.000 0.498 309 N N 1.041 119.944 118.700 0.338 0.000 2.483 309 N HA 0.235 4.950 4.740 -0.041 0.000 0.269 309 N C -0.367 175.241 175.510 0.164 0.000 1.209 309 N CA -0.126 53.062 53.050 0.230 0.000 0.969 309 N CB 0.857 39.469 38.487 0.208 0.000 1.173 309 N HN 0.501 nan 8.380 nan 0.000 0.475 310 S N 0.852 116.609 115.700 0.095 0.000 2.439 310 S HA 0.298 4.743 4.470 -0.041 0.000 0.282 310 S C 0.295 174.918 174.600 0.038 0.000 1.170 310 S CA -0.627 57.593 58.200 0.033 0.000 1.054 310 S CB -0.054 63.142 63.200 -0.007 0.000 0.956 310 S HN 0.230 nan 8.310 nan 0.000 0.490 311 L N 3.936 125.195 121.223 0.060 0.000 2.315 311 L HA 0.298 4.613 4.340 -0.041 0.000 0.283 311 L C 0.494 177.403 176.870 0.064 0.000 1.089 311 L CA -0.570 54.339 54.840 0.115 0.000 0.833 311 L CB 0.305 42.522 42.059 0.264 0.000 1.170 311 L HN 0.426 nan 8.230 nan 0.000 0.442 312 E N 3.345 123.575 120.200 0.051 0.000 2.290 312 E HA 0.134 4.459 4.350 -0.041 0.000 0.277 312 E C -0.297 176.368 176.600 0.109 0.000 1.035 312 E CA -0.694 55.728 56.400 0.038 0.000 0.873 312 E CB 1.615 31.325 29.700 0.016 0.000 1.029 312 E HN 0.283 nan 8.360 nan 0.000 0.419 313 L N 2.188 123.498 121.223 0.144 0.000 2.499 313 L HA 0.191 4.506 4.340 -0.041 0.000 0.273 313 L C 1.355 178.277 176.870 0.086 0.000 1.195 313 L CA 1.758 56.709 54.840 0.185 0.000 0.882 313 L CB 0.206 42.390 42.059 0.208 0.000 1.133 313 L HN 0.781 nan 8.230 nan 0.000 0.483 314 G N 2.048 110.884 108.800 0.059 0.000 2.225 314 G HA2 -0.324 3.611 3.960 -0.041 0.000 0.254 314 G HA3 -0.324 3.611 3.960 -0.041 0.000 0.254 314 G C 0.760 175.674 174.900 0.023 0.000 0.988 314 G CA 0.413 45.531 45.100 0.031 0.000 0.625 314 G HN 0.804 nan 8.290 nan 0.000 0.527 315 C N -0.790 118.527 119.300 0.029 0.000 2.503 315 C HA 0.330 4.765 4.460 -0.041 0.000 0.344 315 C C 2.144 177.141 174.990 0.013 0.000 1.610 315 C CA 1.134 60.160 59.018 0.013 0.000 2.351 315 C CB -0.408 27.335 27.740 0.006 0.000 2.044 315 C HN 0.457 nan 8.230 nan 0.000 0.680 316 D N 0.190 120.609 120.400 0.032 0.000 2.183 316 D HA 0.041 4.657 4.640 -0.041 0.000 0.205 316 D C 0.165 176.522 176.300 0.094 0.000 0.962 316 D CA 1.124 55.153 54.000 0.049 0.000 0.849 316 D CB 0.141 40.979 40.800 0.062 0.000 0.978 316 D HN 0.421 nan 8.370 nan 0.000 0.488 317 c N 1.595 120.239 118.600 0.072 0.000 2.397 317 c HA 0.539 5.084 4.570 -0.041 0.000 0.325 317 c C -0.378 173.662 174.090 -0.083 0.000 1.201 317 c CA -1.117 55.198 56.329 -0.022 0.000 1.377 317 c CB 1.022 43.504 42.510 -0.045 0.000 2.038 317 c HN 0.149 nan 8.230 nan 0.000 0.457 318 L N 3.870 125.010 121.223 -0.138 0.000 2.325 318 L HA 0.978 5.293 4.340 -0.041 0.000 0.278 318 L C 0.497 177.275 176.870 -0.153 0.000 1.023 318 L CA 1.723 56.505 54.840 -0.096 0.000 0.811 318 L CB 1.182 43.221 42.059 -0.032 0.000 1.249 318 L HN 1.136 nan 8.230 nan 0.000 0.431 319 G N 3.179 111.934 108.800 -0.075 0.000 2.378 319 G HA2 -0.143 3.792 3.960 -0.041 0.000 0.198 319 G HA3 -0.143 3.792 3.960 -0.041 0.000 0.198 319 G C -1.126 173.755 174.900 -0.032 0.000 1.223 319 G CA -0.188 44.888 45.100 -0.039 0.000 1.088 319 G HN 0.730 nan 8.290 nan 0.000 0.530 320 D N 0.979 121.386 120.400 0.010 0.000 2.441 320 D HA 0.507 5.123 4.640 -0.041 0.000 0.221 320 D C -0.274 176.044 176.300 0.031 0.000 1.156 320 D CA -0.131 53.881 54.000 0.020 0.000 0.896 320 D CB 0.392 41.211 40.800 0.032 0.000 1.028 320 D HN 0.332 nan 8.370 nan 0.000 0.509 321 I N 2.145 122.682 120.570 -0.055 0.000 2.392 321 I HA 0.181 4.327 4.170 -0.041 0.000 0.295 321 I C 0.682 176.703 176.117 -0.160 0.000 0.985 321 I CA -0.303 60.897 61.300 -0.166 0.000 1.221 321 I CB 2.027 39.740 38.000 -0.478 0.000 1.366 321 I HN 0.078 nan 8.210 nan 0.000 0.467 322 T N 5.626 120.147 114.554 -0.054 0.000 2.772 322 T HA 0.493 4.818 4.350 -0.041 0.000 0.288 322 T C -0.689 173.965 174.700 -0.077 0.000 0.994 322 T CA -0.316 61.813 62.100 0.049 0.000 0.951 322 T CB 0.142 69.201 68.868 0.318 0.000 0.933 322 T HN 0.125 nan 8.240 nan 0.000 0.447 323 Y N 2.087 122.441 120.300 0.089 0.000 2.403 323 Y HA 0.644 5.169 4.550 -0.041 0.000 0.323 323 Y C 0.280 176.197 175.900 0.028 0.000 1.226 323 Y CA -1.244 56.886 58.100 0.050 0.000 1.235 323 Y CB 0.977 39.457 38.460 0.033 0.000 1.248 323 Y HN 0.357 nan 8.280 nan 0.000 0.489 324 L N 1.335 122.672 121.223 0.190 0.000 2.385 324 L HA 0.460 4.776 4.340 -0.041 0.000 0.273 324 L C -0.706 176.168 176.870 0.007 0.000 0.990 324 L CA -0.594 54.287 54.840 0.068 0.000 0.821 324 L CB 2.014 44.082 42.059 0.016 0.000 1.279 324 L HN 0.540 nan 8.230 nan 0.000 0.412 325 S N 3.674 119.354 115.700 -0.032 0.000 2.328 325 S HA 0.319 4.765 4.470 -0.041 0.000 0.204 325 S C -2.293 172.227 174.600 -0.133 0.000 1.475 325 S CA -1.047 57.098 58.200 -0.091 0.000 1.148 325 S CB 0.554 63.720 63.200 -0.057 0.000 1.077 325 S HN 0.393 nan 8.310 nan 0.000 0.479 326 P HA 0.195 nan 4.420 nan 0.000 0.270 326 P C -0.694 176.511 177.300 -0.159 0.000 1.223 326 P CA -0.245 62.698 63.100 -0.262 0.000 0.785 326 P CB 0.723 32.024 31.700 -0.666 0.000 0.923 327 V N 3.573 123.463 119.914 -0.040 0.000 2.555 327 V HA 0.433 4.528 4.120 -0.041 0.000 0.302 327 V C 0.591 176.717 176.094 0.052 0.000 1.038 327 V CA -0.643 61.656 62.300 -0.001 0.000 0.887 327 V CB 1.580 33.409 31.823 0.010 0.000 0.991 327 V HN 0.503 nan 8.190 nan 0.000 0.434 328 I N 1.194 121.788 120.570 0.039 0.000 3.206 328 I HA 0.717 4.863 4.170 -0.041 0.000 0.313 328 I C -0.214 175.902 176.117 -0.002 0.000 1.103 328 I CA -0.857 60.466 61.300 0.038 0.000 0.985 328 I CB 1.862 39.893 38.000 0.051 0.000 1.240 328 I HN 0.593 nan 8.210 nan 0.000 0.464 329 S N 1.174 116.853 115.700 -0.035 0.000 2.617 329 S HA 0.498 4.943 4.470 -0.041 0.000 0.283 329 S C -0.474 174.099 174.600 -0.046 0.000 1.189 329 S CA -0.417 57.756 58.200 -0.045 0.000 1.036 329 S CB 0.770 63.926 63.200 -0.072 0.000 1.014 329 S HN 0.826 nan 8.310 nan 0.000 0.522 330 D N 1.871 122.255 120.400 -0.028 0.000 2.529 330 D HA 0.464 5.079 4.640 -0.041 0.000 0.273 330 D C 1.125 177.360 176.300 -0.107 0.000 1.197 330 D CA -0.239 53.737 54.000 -0.040 0.000 1.070 330 D CB 0.204 41.018 40.800 0.023 0.000 1.134 330 D HN 0.483 nan 8.370 nan 0.000 0.590 331 A N -1.091 121.590 122.820 -0.231 0.000 2.125 331 A HA -0.035 4.260 4.320 -0.041 0.000 0.219 331 A C 1.322 178.572 177.584 -0.557 0.000 1.156 331 A CA 0.844 52.619 52.037 -0.437 0.000 0.671 331 A CB -0.902 17.711 19.000 -0.645 0.000 0.794 331 A HN 0.444 nan 8.150 nan 0.000 0.459 332 F N -1.819 118.133 119.950 0.003 0.000 2.682 332 F HA 0.407 4.910 4.527 -0.041 0.000 0.308 332 F C 1.719 177.510 175.800 -0.014 0.000 1.093 332 F CA 0.157 58.157 58.000 -0.002 0.000 1.244 332 F CB 0.332 39.331 39.000 -0.002 0.000 1.052 332 F HN 0.298 nan 8.300 nan 0.000 0.573 333 G N 0.145 108.997 108.800 0.086 0.000 2.176 333 G HA2 -0.248 3.687 3.960 -0.041 0.000 0.232 333 G HA3 -0.248 3.687 3.960 -0.041 0.000 0.232 333 G C 0.030 174.942 174.900 0.020 0.000 0.986 333 G CA -0.490 44.627 45.100 0.029 0.000 0.643 333 G HN 0.243 nan 8.290 nan 0.000 0.522 334 N N 2.258 120.993 118.700 0.058 0.000 2.514 334 N HA 0.400 5.116 4.740 -0.041 0.000 0.277 334 N C -2.486 173.031 175.510 0.013 0.000 1.126 334 N CA -0.940 52.132 53.050 0.037 0.000 0.978 334 N CB 1.604 40.132 38.487 0.068 0.000 1.106 334 N HN 0.220 nan 8.380 nan 0.000 0.461 335 P HA 0.180 nan 4.420 nan 0.000 0.276 335 P C -0.616 176.687 177.300 0.005 0.000 1.230 335 P CA -0.113 62.983 63.100 -0.007 0.000 0.776 335 P CB 1.132 32.823 31.700 -0.015 0.000 0.888 336 R N 1.938 122.441 120.500 0.005 0.000 2.513 336 R HA 0.268 4.583 4.340 -0.041 0.000 0.301 336 R C -0.434 175.866 176.300 -0.001 0.000 0.968 336 R CA -0.623 55.483 56.100 0.009 0.000 0.872 336 R CB 1.417 31.727 30.300 0.017 0.000 1.177 336 R HN 0.467 nan 8.270 nan 0.000 0.444 337 E N 5.290 125.486 120.200 -0.007 0.000 2.283 337 E HA 0.150 4.476 4.350 -0.041 0.000 0.278 337 E C -0.426 176.153 176.600 -0.035 0.000 1.027 337 E CA -0.639 55.745 56.400 -0.026 0.000 0.843 337 E CB 0.852 30.537 29.700 -0.025 0.000 1.062 337 E HN 0.468 nan 8.360 nan 0.000 0.401 338 I N 5.614 126.140 120.570 -0.073 0.000 2.316 338 I HA 0.154 4.299 4.170 -0.041 0.000 0.286 338 I C 0.625 176.686 176.117 -0.093 0.000 1.107 338 I CA -0.280 60.973 61.300 -0.078 0.000 1.219 338 I CB -0.042 37.870 38.000 -0.147 0.000 1.455 338 I HN 0.555 nan 8.210 nan 0.000 0.498 339 R N 6.471 126.931 120.500 -0.067 0.000 2.504 339 R HA -0.064 4.251 4.340 -0.041 0.000 0.291 339 R C 0.171 176.395 176.300 -0.127 0.000 0.974 339 R CA 0.378 56.424 56.100 -0.090 0.000 1.077 339 R CB 0.145 30.396 30.300 -0.081 0.000 0.926 339 R HN 0.544 nan 8.270 nan 0.000 0.407 340 N N 2.571 121.174 118.700 -0.161 0.000 2.725 340 N HA -0.178 4.538 4.740 -0.041 0.000 0.251 340 N C 0.574 176.076 175.510 -0.015 0.000 1.031 340 N CA 1.143 54.062 53.050 -0.218 0.000 0.720 340 N CB -1.213 36.834 38.487 -0.734 0.000 0.930 340 N HN 0.890 nan 8.380 nan 0.000 0.543 341 G N -0.948 107.838 108.800 -0.024 0.000 2.623 341 G HA2 0.226 4.161 3.960 -0.041 0.000 0.214 341 G HA3 0.226 4.161 3.960 -0.041 0.000 0.214 341 G C 0.554 175.504 174.900 0.084 0.000 1.138 341 G CA 0.222 45.320 45.100 -0.002 0.000 0.794 341 G HN 0.459 nan 8.290 nan 0.000 0.535 342 I N 0.381 121.012 120.570 0.100 0.000 2.466 342 I HA 0.308 4.453 4.170 -0.041 0.000 0.289 342 I C -0.778 175.451 176.117 0.186 0.000 1.026 342 I CA -0.913 60.469 61.300 0.136 0.000 1.078 342 I CB 2.363 40.380 38.000 0.028 0.000 1.249 342 I HN -0.196 nan 8.210 nan 0.000 0.429 343 c N 6.915 125.598 118.600 0.139 0.000 2.341 343 c HA 0.697 5.243 4.570 -0.041 0.000 0.338 343 c C 0.065 174.152 174.090 -0.004 0.000 1.257 343 c CA -0.478 55.862 56.329 0.019 0.000 1.883 343 c CB 0.723 43.272 42.510 0.065 0.000 2.334 343 c HN 0.670 nan 8.230 nan 0.000 0.524 344 M N 5.569 125.131 119.600 -0.064 0.000 2.267 344 M HA 0.508 4.964 4.480 -0.041 0.000 0.289 344 M C -0.692 175.578 176.300 -0.051 0.000 1.043 344 M CA -0.156 55.035 55.300 -0.181 0.000 0.928 344 M CB 1.916 34.318 32.600 -0.330 0.000 1.613 344 M HN 0.968 nan 8.290 nan 0.000 0.450 345 H N 0.920 119.812 119.070 -0.295 0.000 2.969 345 H HA 0.442 4.973 4.556 -0.041 0.000 0.304 345 H C -2.141 173.104 175.328 -0.139 0.000 1.400 345 H CA -1.026 55.010 56.048 -0.020 0.000 1.182 345 H CB 1.074 30.853 29.762 0.029 0.000 1.865 345 H HN 0.753 nan 8.280 nan 0.000 0.512 346 E N 1.174 121.397 120.200 0.039 0.000 2.221 346 E HA 0.539 4.865 4.350 -0.041 0.000 0.268 346 E C -0.882 175.755 176.600 0.062 0.000 0.933 346 E CA -0.922 55.398 56.400 -0.132 0.000 0.809 346 E CB 2.817 32.585 29.700 0.113 0.000 1.190 346 E HN 0.723 nan 8.360 nan 0.000 0.406 347 E N 1.747 121.960 120.200 0.021 0.000 2.383 347 E HA 0.248 4.573 4.350 -0.041 0.000 0.275 347 E C -1.419 175.305 176.600 0.206 0.000 0.918 347 E CA -1.017 55.473 56.400 0.150 0.000 0.764 347 E CB 1.514 31.316 29.700 0.171 0.000 1.252 347 E HN 0.527 nan 8.360 nan 0.000 0.449 348 D N 1.250 121.781 120.400 0.220 0.000 2.443 348 D HA -0.056 4.560 4.640 -0.041 0.000 0.239 348 D C -0.929 175.581 176.300 0.351 0.000 1.136 348 D CA 0.125 54.264 54.000 0.232 0.000 0.879 348 D CB 0.544 41.428 40.800 0.141 0.000 1.195 348 D HN 0.516 nan 8.370 nan 0.000 0.443 349 W N 5.753 127.096 121.300 0.072 0.000 1.340 349 W HA 0.377 5.012 4.660 -0.041 0.000 0.301 349 W C 0.248 176.802 176.519 0.059 0.000 0.834 349 W CA 0.058 57.444 57.345 0.067 0.000 2.473 349 W CB 0.110 29.654 29.460 0.139 0.000 1.837 349 W HN 0.848 nan 8.180 nan 0.000 0.528 350 G N 1.943 110.681 108.800 -0.103 0.000 2.601 350 G HA2 -0.330 3.605 3.960 -0.041 0.000 0.261 350 G HA3 -0.330 3.605 3.960 -0.041 0.000 0.261 350 G C -0.337 174.548 174.900 -0.024 0.000 1.289 350 G CA -0.186 44.834 45.100 -0.133 0.000 0.920 350 G HN 0.097 nan 8.290 nan 0.000 0.571 351 I N 1.160 121.706 120.570 -0.040 0.000 2.556 351 I HA 0.171 4.317 4.170 -0.041 0.000 0.284 351 I C 1.611 177.758 176.117 0.050 0.000 1.114 351 I CA -0.025 61.278 61.300 0.005 0.000 1.418 351 I CB 0.818 38.814 38.000 -0.008 0.000 1.394 351 I HN 0.631 nan 8.210 nan 0.000 0.552 352 L N 6.518 127.788 121.223 0.079 0.000 2.200 352 L HA 0.465 4.780 4.340 -0.041 0.000 0.200 352 L C 0.622 177.554 176.870 0.104 0.000 1.072 352 L CA 1.034 55.942 54.840 0.113 0.000 0.787 352 L CB 0.099 42.237 42.059 0.130 0.000 0.957 352 L HN 0.708 nan 8.230 nan 0.000 0.459 353 A N -0.401 122.491 122.820 0.119 0.000 2.566 353 A HA 0.652 4.947 4.320 -0.041 0.000 0.297 353 A C -1.115 176.593 177.584 0.208 0.000 1.059 353 A CA -0.602 51.533 52.037 0.164 0.000 0.691 353 A CB 1.108 20.248 19.000 0.232 0.000 1.282 353 A HN 0.055 nan 8.150 nan 0.000 0.401 354 K N 1.042 121.563 120.400 0.202 0.000 2.557 354 K HA 0.591 4.886 4.320 -0.041 0.000 0.257 354 K C -2.182 174.564 176.600 0.244 0.000 0.933 354 K CA -0.521 55.895 56.287 0.217 0.000 0.820 354 K CB 1.786 34.348 32.500 0.104 0.000 1.330 354 K HN 1.094 nan 8.250 nan 0.000 0.432 355 H N 0.273 119.419 119.070 0.127 0.000 3.129 355 H HA 0.357 4.888 4.556 -0.041 0.000 0.342 355 H C -1.964 173.393 175.328 0.048 0.000 1.092 355 H CA -0.372 55.703 56.048 0.046 0.000 1.310 355 H CB 1.843 31.603 29.762 -0.005 0.000 1.932 355 H HN 0.423 nan 8.280 nan 0.000 0.507 356 S N 4.117 119.465 115.700 -0.586 0.000 2.520 356 S HA 0.176 4.622 4.470 -0.041 0.000 0.324 356 S C -0.784 173.364 174.600 -0.753 0.000 1.069 356 S CA -0.675 57.252 58.200 -0.456 0.000 1.121 356 S CB 0.519 63.586 63.200 -0.222 0.000 0.971 356 S HN 0.651 nan 8.310 nan 0.000 0.463 357 D N 2.198 122.232 120.400 -0.609 0.000 2.280 357 D HA 0.290 4.906 4.640 -0.041 0.000 0.243 357 D C 0.991 177.189 176.300 -0.170 0.000 1.129 357 D CA -0.571 53.213 54.000 -0.360 0.000 0.848 357 D CB 0.848 41.623 40.800 -0.041 0.000 1.107 357 D HN 0.274 nan 8.370 nan 0.000 0.471 358 L N 5.506 126.599 121.223 -0.216 0.000 2.017 358 L HA -0.037 4.279 4.340 -0.041 0.000 0.208 358 L C 1.400 178.287 176.870 0.028 0.000 1.073 358 L CA 1.588 56.340 54.840 -0.147 0.000 0.745 358 L CB -0.361 41.541 42.059 -0.261 0.000 0.894 358 L HN 0.604 nan 8.230 nan 0.000 0.432 359 W N -0.171 121.135 121.300 0.010 0.000 2.358 359 W HA -0.098 4.538 4.660 -0.041 0.000 0.303 359 W C 2.990 179.514 176.519 0.008 0.000 1.208 359 W CA 1.517 58.869 57.345 0.012 0.000 1.274 359 W CB -1.724 27.747 29.460 0.020 0.000 1.138 359 W HN 0.538 nan 8.180 nan 0.000 0.515 360 S N -0.985 114.855 115.700 0.233 0.000 2.501 360 S HA 0.273 4.718 4.470 -0.041 0.000 0.220 360 S C 1.808 176.456 174.600 0.081 0.000 0.997 360 S CA 0.916 59.198 58.200 0.137 0.000 0.919 360 S CB -0.098 63.172 63.200 0.118 0.000 0.778 360 S HN 0.424 nan 8.310 nan 0.000 0.523 361 G N 1.166 110.000 108.800 0.057 0.000 2.184 361 G HA2 -0.246 3.689 3.960 -0.041 0.000 0.264 361 G HA3 -0.246 3.689 3.960 -0.041 0.000 0.264 361 G C 0.028 174.935 174.900 0.011 0.000 0.975 361 G CA 0.379 45.494 45.100 0.025 0.000 0.642 361 G HN 0.610 nan 8.290 nan 0.000 0.536 362 I N 1.495 122.076 120.570 0.017 0.000 2.352 362 I HA 0.253 4.399 4.170 -0.041 0.000 0.290 362 I C -0.379 175.740 176.117 0.003 0.000 1.036 362 I CA -0.718 60.599 61.300 0.029 0.000 1.336 362 I CB 0.866 38.901 38.000 0.058 0.000 1.407 362 I HN -0.023 nan 8.210 nan 0.000 0.497 363 N N 6.540 125.253 118.700 0.021 0.000 2.424 363 N HA 0.296 5.012 4.740 -0.041 0.000 0.271 363 N C -1.260 174.315 175.510 0.108 0.000 0.985 363 N CA -0.412 52.646 53.050 0.012 0.000 0.921 363 N CB 1.810 40.287 38.487 -0.016 0.000 1.149 363 N HN 0.446 nan 8.380 nan 0.000 0.492 364 Y N 1.054 121.337 120.300 -0.028 0.000 2.391 364 Y HA 0.498 5.023 4.550 -0.041 0.000 0.341 364 Y C -0.978 174.929 175.900 0.012 0.000 0.965 364 Y CA -0.332 57.771 58.100 0.006 0.000 1.067 364 Y CB 1.630 40.110 38.460 0.033 0.000 1.199 364 Y HN 0.344 nan 8.280 nan 0.000 0.450 365 T N 6.829 121.213 114.554 -0.283 0.000 3.032 365 T HA 0.583 4.908 4.350 -0.041 0.000 0.312 365 T C -1.340 173.147 174.700 -0.356 0.000 1.078 365 T CA -1.011 60.974 62.100 -0.193 0.000 1.028 365 T CB 1.255 70.071 68.868 -0.087 0.000 1.091 365 T HN 0.420 nan 8.240 nan 0.000 0.457 366 R N 1.893 122.269 120.500 -0.208 0.000 2.673 366 R HA 0.549 4.864 4.340 -0.041 0.000 0.281 366 R C -0.634 175.652 176.300 -0.025 0.000 0.991 366 R CA -0.980 55.030 56.100 -0.151 0.000 0.896 366 R CB 1.905 32.130 30.300 -0.125 0.000 1.201 366 R HN 0.456 nan 8.270 nan 0.000 0.457 367 R N 1.317 121.817 120.500 -0.001 0.000 2.500 367 R HA 0.334 4.649 4.340 -0.041 0.000 0.275 367 R C 0.283 176.649 176.300 0.110 0.000 1.051 367 R CA -0.809 55.321 56.100 0.049 0.000 1.088 367 R CB 0.666 30.995 30.300 0.049 0.000 1.063 367 R HN 0.466 nan 8.270 nan 0.000 0.511 368 N N 0.713 119.515 118.700 0.169 0.000 2.459 368 N HA 0.418 5.133 4.740 -0.041 0.000 0.288 368 N C -0.948 174.769 175.510 0.346 0.000 1.186 368 N CA -0.424 52.790 53.050 0.274 0.000 0.917 368 N CB 1.271 39.965 38.487 0.344 0.000 1.219 368 N HN 0.362 nan 8.380 nan 0.000 0.525 369 R N -0.008 120.744 120.500 0.420 0.000 2.739 369 R HA 0.498 4.813 4.340 -0.041 0.000 0.271 369 R C -0.900 175.641 176.300 0.402 0.000 1.010 369 R CA -0.899 55.463 56.100 0.436 0.000 0.897 369 R CB 2.395 32.998 30.300 0.506 0.000 1.236 369 R HN 0.676 nan 8.270 nan 0.000 0.466 370 R N 1.518 122.044 120.500 0.043 0.000 2.673 370 R HA 0.487 4.802 4.340 -0.041 0.000 0.281 370 R C -1.344 174.464 176.300 -0.821 0.000 0.991 370 R CA -0.940 54.845 56.100 -0.525 0.000 0.896 370 R CB 1.871 31.506 30.300 -1.109 0.000 1.201 370 R HN 0.472 nan 8.270 nan 0.000 0.457 371 M N 3.262 122.080 119.600 -1.303 0.000 2.188 371 M HA 0.311 4.766 4.480 -0.041 0.000 0.357 371 M C -1.587 174.220 176.300 -0.821 0.000 1.204 371 M CA -0.568 53.893 55.300 -1.398 0.000 1.095 371 M CB 1.591 33.156 32.600 -1.724 0.000 1.604 371 M HN 0.477 nan 8.290 nan 0.000 0.464 372 V N 6.922 126.399 119.914 -0.728 0.000 2.448 372 V HA 0.572 4.668 4.120 -0.041 0.000 0.295 372 V C -0.817 175.045 176.094 -0.386 0.000 1.025 372 V CA -0.592 61.433 62.300 -0.459 0.000 0.859 372 V CB 1.496 33.018 31.823 -0.501 0.000 0.988 372 V HN 0.743 nan 8.190 nan 0.000 0.431 373 I N 4.695 125.127 120.570 -0.230 0.000 2.439 373 I HA 0.670 4.815 4.170 -0.041 0.000 0.285 373 I C 0.084 176.188 176.117 -0.022 0.000 1.021 373 I CA 0.282 61.505 61.300 -0.128 0.000 1.091 373 I CB 1.997 39.928 38.000 -0.114 0.000 1.242 373 I HN 0.782 nan 8.210 nan 0.000 0.439 374 S N 5.431 121.121 115.700 -0.015 0.000 2.638 374 S HA 0.934 5.379 4.470 -0.041 0.000 0.274 374 S C -0.945 173.729 174.600 0.123 0.000 1.157 374 S CA -0.749 57.386 58.200 -0.109 0.000 0.826 374 S CB 2.354 65.150 63.200 -0.675 0.000 1.139 374 S HN 0.516 nan 8.310 nan 0.000 0.474 375 F N -1.214 118.666 119.950 -0.115 0.000 2.668 375 F HA 0.887 5.389 4.527 -0.041 0.000 0.309 375 F C -2.238 173.630 175.800 0.113 0.000 1.117 375 F CA -1.611 56.427 58.000 0.063 0.000 0.951 375 F CB 0.907 39.990 39.000 0.139 0.000 1.323 375 F HN 0.616 nan 8.300 nan 0.000 0.451 376 F N 1.050 121.042 119.950 0.070 0.000 2.540 376 F HA 0.694 5.197 4.527 -0.042 0.000 0.317 376 F C -0.181 175.749 175.800 0.217 0.000 1.104 376 F CA -0.405 57.619 58.000 0.040 0.000 0.913 376 F CB 2.287 41.338 39.000 0.084 0.000 1.170 376 F HN 0.871 nan 8.300 nan 0.000 0.450 377 T N 2.238 117.051 114.554 0.433 0.000 2.916 377 T HA 0.657 4.982 4.350 -0.041 0.000 0.292 377 T C -1.139 173.831 174.700 0.451 0.000 1.055 377 T CA -0.322 62.079 62.100 0.502 0.000 1.009 377 T CB 1.355 70.555 68.868 0.552 0.000 1.118 377 T HN 0.562 nan 8.240 nan 0.000 0.497 378 T N 4.427 119.206 114.554 0.375 0.000 2.809 378 T HA 0.556 4.882 4.350 -0.041 0.000 0.284 378 T C -0.750 174.017 174.700 0.113 0.000 0.992 378 T CA -0.579 61.644 62.100 0.205 0.000 0.957 378 T CB 0.545 69.501 68.868 0.148 0.000 0.942 378 T HN 0.417 nan 8.240 nan 0.000 0.439 379 I N 3.795 124.370 120.570 0.008 0.000 2.502 379 I HA 0.383 4.528 4.170 -0.041 0.000 0.276 379 I C 1.310 177.244 176.117 -0.305 0.000 1.057 379 I CA 0.000 61.204 61.300 -0.161 0.000 1.163 379 I CB -0.087 37.909 38.000 -0.008 0.000 1.288 379 I HN 0.952 nan 8.210 nan 0.000 0.479 380 G N 7.314 115.930 108.800 -0.307 0.000 2.646 380 G HA2 -0.325 3.611 3.960 -0.041 0.000 0.324 380 G HA3 -0.325 3.611 3.960 -0.041 0.000 0.324 380 G C 0.469 175.227 174.900 -0.237 0.000 1.195 380 G CA 0.635 45.609 45.100 -0.210 0.000 0.976 380 G HN 0.682 nan 8.290 nan 0.000 0.546 384 Y N 0.439 120.824 120.300 0.143 0.000 2.409 384 Y HA 0.710 5.236 4.550 -0.040 0.000 0.343 384 Y C 0.842 176.227 175.900 -0.858 0.000 0.973 384 Y CA -1.030 56.947 58.100 -0.204 0.000 1.064 384 Y CB 2.426 40.869 38.460 -0.028 0.000 1.207 384 Y HN 0.440 nan 8.280 nan 0.000 0.452 385 G N 2.414 110.543 108.800 -1.119 0.000 2.372 385 G HA2 0.579 4.514 3.960 -0.041 0.000 0.323 385 G HA3 0.579 4.514 3.960 -0.041 0.000 0.323 385 G C -1.675 172.858 174.900 -0.612 0.000 1.152 385 G CA -0.409 43.878 45.100 -1.355 0.000 0.906 385 G HN 0.330 nan 8.290 nan 0.000 0.460 386 F N 1.567 121.017 119.950 -0.832 0.000 2.402 386 F HA 0.484 4.986 4.527 -0.042 0.000 0.355 386 F C -0.725 174.699 175.800 -0.628 0.000 1.123 386 F CA -0.968 56.734 58.000 -0.497 0.000 1.021 386 F CB 1.739 40.572 39.000 -0.277 0.000 1.160 386 F HN 0.303 nan 8.300 nan 0.000 0.451 387 Y N 1.333 121.204 120.300 -0.716 0.000 2.376 387 Y HA 0.448 4.973 4.550 -0.041 0.000 0.340 387 Y C -1.050 174.143 175.900 -1.178 0.000 0.965 387 Y CA -1.576 56.052 58.100 -0.787 0.000 1.078 387 Y CB 1.411 39.344 38.460 -0.879 0.000 1.193 387 Y HN 0.522 nan 8.280 nan 0.000 0.452 388 W N 3.296 124.265 121.300 -0.552 0.000 2.573 388 W HA 0.613 5.248 4.660 -0.041 0.000 0.326 388 W C -1.413 174.688 176.519 -0.696 0.000 1.049 388 W CA -0.702 56.340 57.345 -0.505 0.000 1.220 388 W CB 1.177 30.508 29.460 -0.216 0.000 1.373 388 W HN 0.323 nan 8.180 nan 0.000 0.507 389 Y N 2.943 123.141 120.300 -0.170 0.000 2.446 389 Y HA 0.655 5.180 4.550 -0.041 0.000 0.345 389 Y C -0.283 175.301 175.900 -0.526 0.000 0.984 389 Y CA -1.686 56.124 58.100 -0.484 0.000 1.058 389 Y CB 1.180 39.247 38.460 -0.655 0.000 1.220 389 Y HN 0.057 nan 8.280 nan 0.000 0.455 390 L N 3.958 124.820 121.223 -0.601 0.000 2.356 390 L HA 0.527 4.842 4.340 -0.041 0.000 0.277 390 L C -1.230 175.405 176.870 -0.391 0.000 0.996 390 L CA -0.854 53.561 54.840 -0.709 0.000 0.822 390 L CB 1.331 42.665 42.059 -1.208 0.000 1.256 390 L HN 0.592 nan 8.230 nan 0.000 0.413 391 Y N 1.802 122.236 120.300 0.222 0.000 2.496 391 Y HA 0.326 4.851 4.550 -0.041 0.000 0.331 391 Y C 1.182 177.542 175.900 0.767 0.000 1.140 391 Y CA -0.710 57.647 58.100 0.428 0.000 1.166 391 Y CB 1.488 40.097 38.460 0.249 0.000 1.249 391 Y HN 0.441 nan 8.280 nan 0.000 0.479 392 L N 0.626 122.283 121.223 0.723 0.000 2.042 392 L HA -0.213 4.102 4.340 -0.041 0.000 0.210 392 L C 1.650 178.779 176.870 0.432 0.000 1.076 392 L CA 1.761 56.888 54.840 0.477 0.000 0.749 392 L CB -0.354 41.869 42.059 0.273 0.000 0.893 392 L HN 0.765 nan 8.230 nan 0.000 0.432 393 D N -0.384 120.243 120.400 0.379 0.000 2.352 393 D HA -0.017 4.599 4.640 -0.041 0.000 0.232 393 D C 1.404 177.818 176.300 0.191 0.000 1.055 393 D CA 0.880 54.995 54.000 0.191 0.000 0.891 393 D CB 0.119 41.000 40.800 0.134 0.000 0.897 393 D HN 0.362 nan 8.370 nan 0.000 0.529 394 G N -0.732 108.363 108.800 0.492 0.000 2.176 394 G HA2 -0.244 3.691 3.960 -0.041 0.000 0.232 394 G HA3 -0.244 3.691 3.960 -0.041 0.000 0.232 394 G C 0.388 175.801 174.900 0.854 0.000 0.986 394 G CA 0.190 45.619 45.100 0.548 0.000 0.643 394 G HN 0.461 nan 8.290 nan 0.000 0.522 395 T N 1.328 116.295 114.554 0.688 0.000 2.919 395 T HA 0.560 4.886 4.350 -0.041 0.000 0.302 395 T C 0.552 175.623 174.700 0.618 0.000 1.031 395 T CA 0.438 62.870 62.100 0.554 0.000 1.127 395 T CB 1.283 70.293 68.868 0.237 0.000 0.952 395 T HN 0.339 nan 8.240 nan 0.000 0.540 396 I N 2.497 123.350 120.570 0.472 0.000 2.433 396 I HA 0.505 4.651 4.170 -0.041 0.000 0.292 396 I C 0.081 176.349 176.117 0.252 0.000 1.001 396 I CA -0.654 60.817 61.300 0.285 0.000 1.119 396 I CB 1.940 40.083 38.000 0.238 0.000 1.289 396 I HN 0.619 nan 8.210 nan 0.000 0.438 397 E N 5.626 125.930 120.200 0.173 0.000 2.356 397 E HA 0.498 4.824 4.350 -0.041 0.000 0.275 397 E C -2.054 174.351 176.600 -0.326 0.000 0.904 397 E CA -0.628 55.761 56.400 -0.017 0.000 0.757 397 E CB 2.782 32.613 29.700 0.220 0.000 1.232 397 E HN 0.420 nan 8.360 nan 0.000 0.442 398 F N 2.293 121.646 119.950 -0.996 0.000 2.551 398 F HA 0.540 5.042 4.527 -0.041 0.000 0.316 398 F C -1.235 173.991 175.800 -0.958 0.000 1.089 398 F CA -0.493 56.700 58.000 -1.344 0.000 0.915 398 F CB 1.856 39.680 39.000 -1.959 0.000 1.186 398 F HN 0.522 nan 8.300 nan 0.000 0.456 399 E N 4.123 123.131 120.200 -1.986 0.000 2.290 399 E HA 0.690 5.016 4.350 -0.041 0.000 0.274 399 E C -1.953 173.754 176.600 -1.488 0.000 0.889 399 E CA -0.989 54.651 56.400 -1.268 0.000 0.760 399 E CB 1.833 31.201 29.700 -0.554 0.000 1.206 399 E HN 0.884 nan 8.360 nan 0.000 0.419 400 A N 4.391 126.620 122.820 -0.986 0.000 2.317 400 A HA 0.563 4.858 4.320 -0.041 0.000 0.327 400 A C -0.816 176.505 177.584 -0.438 0.000 1.178 400 A CA -0.700 50.864 52.037 -0.788 0.000 0.817 400 A CB 0.859 19.253 19.000 -1.010 0.000 1.189 400 A HN 0.547 nan 8.150 nan 0.000 0.489 401 K N 1.607 121.816 120.400 -0.318 0.000 2.394 401 K HA 0.575 4.870 4.320 -0.041 0.000 0.260 401 K C -0.639 175.923 176.600 -0.064 0.000 0.967 401 K CA -0.300 55.893 56.287 -0.157 0.000 0.855 401 K CB 2.119 34.574 32.500 -0.074 0.000 1.101 401 K HN 0.736 nan 8.250 nan 0.000 0.433 402 A N 2.563 125.367 122.820 -0.027 0.000 2.276 402 A HA 0.564 4.859 4.320 -0.041 0.000 0.316 402 A C -0.094 177.452 177.584 -0.064 0.000 1.229 402 A CA -0.239 51.779 52.037 -0.031 0.000 0.851 402 A CB 1.280 20.216 19.000 -0.106 0.000 1.165 402 A HN 0.688 nan 8.150 nan 0.000 0.513 403 T N 0.880 115.384 114.554 -0.084 0.000 2.587 403 T HA 0.797 5.122 4.350 -0.041 0.000 0.282 403 T C 0.394 175.012 174.700 -0.137 0.000 1.018 403 T CA 1.055 63.118 62.100 -0.061 0.000 1.120 403 T CB 0.641 69.518 68.868 0.016 0.000 1.538 403 T HN 2.648 nan 8.240 nan 0.000 0.480 404 G N -0.129 108.581 108.800 -0.150 0.000 2.451 404 G HA2 0.019 3.954 3.960 -0.041 0.000 0.208 404 G HA3 0.019 3.954 3.960 -0.041 0.000 0.208 404 G C -1.189 173.577 174.900 -0.223 0.000 1.248 404 G CA -0.209 44.765 45.100 -0.210 0.000 0.989 404 G HN 1.368 nan 8.290 nan 0.000 0.559 405 V N 1.253 120.995 119.914 -0.288 0.000 2.495 405 V HA 0.621 4.717 4.120 -0.041 0.000 0.298 405 V C 1.125 177.111 176.094 -0.179 0.000 1.031 405 V CA -0.132 62.021 62.300 -0.246 0.000 0.871 405 V CB 1.154 32.741 31.823 -0.393 0.000 0.988 405 V HN 1.721 nan 8.190 nan 0.000 0.432 406 V N 2.220 122.185 119.914 0.085 0.000 2.843 406 V HA 0.342 4.438 4.120 -0.041 0.000 0.305 406 V C -0.118 176.041 176.094 0.108 0.000 1.065 406 V CA -0.228 62.171 62.300 0.165 0.000 1.116 406 V CB 0.209 32.201 31.823 0.282 0.000 0.968 406 V HN 0.620 nan 8.190 nan 0.000 0.487 407 F N 4.720 124.662 119.950 -0.012 0.000 2.495 407 F HA 0.507 5.012 4.527 -0.036 0.000 0.365 407 F C 0.994 176.882 175.800 0.147 0.000 1.090 407 F CA 0.586 58.591 58.000 0.008 0.000 1.235 407 F CB 0.828 39.782 39.000 -0.075 0.000 1.119 407 F HN 1.015 nan 8.300 nan 0.000 0.562 408 T N 1.692 116.227 114.554 -0.031 0.000 2.948 408 T HA 0.837 5.162 4.350 -0.041 0.000 0.285 408 T C -0.252 174.496 174.700 0.081 0.000 1.019 408 T CA -0.232 61.921 62.100 0.087 0.000 1.013 408 T CB 1.622 70.532 68.868 0.070 0.000 1.117 408 T HN 0.742 nan 8.240 nan 0.000 0.533 409 S N -0.448 115.263 115.700 0.018 0.000 2.790 409 S HA 0.798 5.243 4.470 -0.041 0.000 0.292 409 S C -0.600 173.949 174.600 -0.085 0.000 1.197 409 S CA -0.786 57.373 58.200 -0.067 0.000 0.851 409 S CB 0.776 63.942 63.200 -0.057 0.000 1.217 409 S HN 1.416 nan 8.310 nan 0.000 0.526 410 A N 0.357 123.082 122.820 -0.158 0.000 2.286 410 A HA 0.726 5.021 4.320 -0.041 0.000 0.286 410 A C -0.898 176.699 177.584 0.022 0.000 1.097 410 A CA -0.463 51.538 52.037 -0.061 0.000 0.821 410 A CB -0.017 18.934 19.000 -0.081 0.000 1.076 410 A HN 0.967 nan 8.150 nan 0.000 0.490 411 F N 2.521 122.452 119.950 -0.031 0.000 2.391 411 F HA 0.521 5.021 4.527 -0.045 0.000 0.359 411 F C -2.139 173.688 175.800 0.045 0.000 1.122 411 F CA -2.540 55.449 58.000 -0.018 0.000 1.120 411 F CB 0.920 39.903 39.000 -0.029 0.000 1.142 411 F HN 0.306 nan 8.300 nan 0.000 0.483 412 P HA -0.048 nan 4.420 nan 0.000 0.265 412 P C -0.874 176.276 177.300 -0.250 0.000 1.187 412 P CA -0.002 62.956 63.100 -0.237 0.000 0.766 412 P CB 0.440 31.984 31.700 -0.260 0.000 0.820 413 E N 1.695 121.848 120.200 -0.079 0.000 2.324 413 E HA 0.278 4.603 4.350 -0.041 0.000 0.271 413 E C 0.897 177.455 176.600 -0.069 0.000 1.028 413 E CA 0.436 56.813 56.400 -0.038 0.000 0.890 413 E CB -0.464 29.218 29.700 -0.031 0.000 1.004 413 E HN 0.743 nan 8.360 nan 0.000 0.431 414 G N 2.791 111.571 108.800 -0.034 0.000 2.176 414 G HA2 -0.150 3.786 3.960 -0.041 0.000 0.232 414 G HA3 -0.150 3.786 3.960 -0.041 0.000 0.232 414 G C 0.608 175.474 174.900 -0.057 0.000 0.986 414 G CA -0.114 44.966 45.100 -0.033 0.000 0.643 414 G HN 1.468 nan 8.290 nan 0.000 0.522 415 G N -1.540 107.169 108.800 -0.152 0.000 2.698 415 G HA2 0.423 4.358 3.960 -0.041 0.000 0.225 415 G HA3 0.423 4.358 3.960 -0.041 0.000 0.225 415 G C -0.153 174.522 174.900 -0.375 0.000 1.345 415 G CA 0.951 45.917 45.100 -0.222 0.000 0.871 415 G HN 2.270 nan 8.290 nan 0.000 0.540 416 S N -1.453 114.106 115.700 -0.235 0.000 2.547 416 S HA 0.605 5.050 4.470 -0.041 0.000 0.270 416 S C -0.478 174.080 174.600 -0.071 0.000 1.150 416 S CA 0.429 58.505 58.200 -0.205 0.000 0.850 416 S CB 1.765 64.759 63.200 -0.343 0.000 1.118 416 S HN 0.634 nan 8.310 nan 0.000 0.461 417 D N 2.207 122.565 120.400 -0.070 0.000 2.349 417 D HA 0.219 4.834 4.640 -0.041 0.000 0.214 417 D C 0.225 176.497 176.300 -0.047 0.000 1.063 417 D CA 0.371 54.381 54.000 0.016 0.000 0.847 417 D CB 0.070 40.895 40.800 0.041 0.000 0.933 417 D HN 0.602 nan 8.370 nan 0.000 0.513 418 N N -0.440 118.047 118.700 -0.355 0.000 2.143 418 N HA 0.260 4.976 4.740 -0.041 0.000 0.229 418 N C -0.364 174.372 175.510 -1.289 0.000 1.294 418 N CA -0.001 52.620 53.050 -0.715 0.000 0.883 418 N CB 1.722 40.070 38.487 -0.232 0.000 1.148 418 N HN -0.007 nan 8.380 nan 0.000 0.511 419 I N 0.305 120.259 120.570 -1.026 0.000 2.722 419 I HA 0.361 4.507 4.170 -0.041 0.000 0.295 419 I C -0.675 175.441 176.117 -0.001 0.000 1.161 419 I CA -0.996 60.014 61.300 -0.484 0.000 1.032 419 I CB 2.224 40.141 38.000 -0.138 0.000 1.244 419 I HN -0.044 nan 8.210 nan 0.000 0.421 420 S N 3.661 119.522 115.700 0.268 0.000 2.638 420 S HA 0.528 4.974 4.470 -0.041 0.000 0.298 420 S C -0.750 173.876 174.600 0.044 0.000 1.111 420 S CA -0.806 57.585 58.200 0.319 0.000 1.027 420 S CB 2.095 65.530 63.200 0.392 0.000 1.064 420 S HN 0.670 nan 8.310 nan 0.000 0.525 421 Q N 0.845 120.388 119.800 -0.428 0.000 2.278 421 Q HA 0.445 4.760 4.340 -0.041 0.000 0.257 421 Q C -0.155 175.645 176.000 -0.333 0.000 0.928 421 Q CA -0.537 54.828 55.803 -0.731 0.000 0.932 421 Q CB 0.794 28.670 28.738 -1.436 0.000 1.221 421 Q HN 0.848 nan 8.270 nan 0.000 0.434 422 L N 1.812 122.866 121.223 -0.282 0.000 2.609 422 L HA 0.520 4.835 4.340 -0.041 0.000 0.230 422 L C 0.341 177.060 176.870 -0.251 0.000 1.087 422 L CA 0.076 54.785 54.840 -0.219 0.000 0.874 422 L CB 0.581 42.481 42.059 -0.264 0.000 1.114 422 L HN 0.632 nan 8.230 nan 0.000 0.488 423 A N -0.738 121.899 122.820 -0.304 0.000 2.564 423 A HA 0.628 4.924 4.320 -0.041 0.000 0.291 423 A C -2.756 174.736 177.584 -0.152 0.000 1.102 423 A CA -0.932 50.987 52.037 -0.196 0.000 0.660 423 A CB 0.465 19.316 19.000 -0.248 0.000 1.283 423 A HN -0.225 nan 8.150 nan 0.000 0.430 424 P HA 0.292 nan 4.420 nan 0.000 0.261 424 P C 1.008 178.303 177.300 -0.008 0.000 1.203 424 P CA 2.329 65.411 63.100 -0.030 0.000 0.767 424 P CB 0.352 32.054 31.700 0.003 0.000 0.785 425 G N 2.399 111.220 108.800 0.035 0.000 2.189 425 G HA2 -0.284 3.651 3.960 -0.041 0.000 0.267 425 G HA3 -0.284 3.651 3.960 -0.041 0.000 0.267 425 G C -0.113 174.832 174.900 0.074 0.000 0.975 425 G CA -0.070 45.091 45.100 0.101 0.000 0.644 425 G HN 0.562 nan 8.290 nan 0.000 0.537 426 L N 1.713 122.911 121.223 -0.041 0.000 2.275 426 L HA 0.783 5.099 4.340 -0.041 0.000 0.288 426 L C 0.713 177.525 176.870 -0.098 0.000 1.046 426 L CA 0.149 54.907 54.840 -0.137 0.000 0.805 426 L CB 1.118 42.951 42.059 -0.377 0.000 1.193 426 L HN 0.366 nan 8.230 nan 0.000 0.426 427 G N 3.381 112.182 108.800 0.002 0.000 2.489 427 G HA2 0.771 4.707 3.960 -0.041 0.000 0.327 427 G HA3 0.771 4.707 3.960 -0.041 0.000 0.327 427 G C -1.607 173.318 174.900 0.042 0.000 1.189 427 G CA -0.335 44.832 45.100 0.112 0.000 0.962 427 G HN 0.955 nan 8.290 nan 0.000 0.486 428 A N 1.327 124.214 122.820 0.112 0.000 2.522 428 A HA 0.742 5.038 4.320 -0.041 0.000 0.285 428 A C -2.843 174.880 177.584 0.232 0.000 1.198 428 A CA -1.291 50.845 52.037 0.164 0.000 0.742 428 A CB 1.606 20.694 19.000 0.146 0.000 1.176 428 A HN 0.398 nan 8.150 nan 0.000 0.444 429 P HA 0.175 nan 4.420 nan 0.000 0.265 429 P C -0.344 177.221 177.300 0.442 0.000 1.193 429 P CA 0.277 63.525 63.100 0.247 0.000 0.765 429 P CB 0.152 32.042 31.700 0.315 0.000 0.823 430 F N 3.757 123.808 119.950 0.168 0.000 2.553 430 F HA 0.205 4.709 4.527 -0.039 0.000 0.356 430 F C 1.654 177.376 175.800 -0.130 0.000 1.142 430 F CA 0.518 58.506 58.000 -0.019 0.000 1.322 430 F CB -0.452 38.567 39.000 0.032 0.000 1.126 430 F HN 0.507 nan 8.300 nan 0.000 0.599 431 H N -0.371 118.539 119.070 -0.266 0.000 2.887 431 H HA 0.483 5.014 4.556 -0.041 0.000 0.290 431 H C -1.841 173.174 175.328 -0.522 0.000 1.429 431 H CA -1.124 54.572 56.048 -0.588 0.000 1.137 431 H CB 1.316 30.311 29.762 -1.278 0.000 1.824 431 H HN 0.585 nan 8.280 nan 0.000 0.520 432 Q N 0.129 119.620 119.800 -0.515 0.000 2.484 432 Q HA 0.396 4.711 4.340 -0.041 0.000 0.285 432 Q C -1.101 174.584 176.000 -0.524 0.000 1.097 432 Q CA -1.015 54.520 55.803 -0.446 0.000 0.802 432 Q CB 2.953 31.498 28.738 -0.321 0.000 1.444 432 Q HN 0.529 nan 8.270 nan 0.000 0.429 433 H N 1.229 120.201 119.070 -0.163 0.000 2.860 433 H HA 0.448 4.979 4.556 -0.042 0.000 0.312 433 H C -0.915 174.199 175.328 -0.357 0.000 0.995 433 H CA -0.227 55.661 56.048 -0.266 0.000 1.311 433 H CB 0.718 30.439 29.762 -0.069 0.000 1.478 433 H HN 0.447 nan 8.280 nan 0.000 0.508 434 I N 4.168 124.474 120.570 -0.440 0.000 2.389 434 I HA 0.232 4.378 4.170 -0.041 0.000 0.288 434 I C -0.517 175.315 176.117 -0.474 0.000 0.999 434 I CA -0.600 60.493 61.300 -0.343 0.000 1.129 434 I CB 0.986 38.815 38.000 -0.284 0.000 1.288 434 I HN 0.189 nan 8.210 nan 0.000 0.444 435 F N 3.211 122.860 119.950 -0.501 0.000 2.440 435 F HA 0.536 5.039 4.527 -0.041 0.000 0.328 435 F C 0.641 176.195 175.800 -0.409 0.000 1.070 435 F CA -0.870 56.779 58.000 -0.586 0.000 1.011 435 F CB 1.696 40.022 39.000 -1.125 0.000 1.226 435 F HN 0.263 nan 8.300 nan 0.000 0.491 436 S N 1.066 116.759 115.700 -0.012 0.000 2.756 436 S HA 0.765 5.211 4.470 -0.041 0.000 0.303 436 S C -0.963 173.728 174.600 0.150 0.000 1.135 436 S CA -0.557 57.682 58.200 0.065 0.000 1.066 436 S CB 0.485 63.544 63.200 -0.235 0.000 1.008 436 S HN 0.848 nan 8.310 nan 0.000 0.482 437 A N 4.907 127.885 122.820 0.264 0.000 2.276 437 A HA 0.594 4.890 4.320 -0.041 0.000 0.300 437 A C 0.191 177.798 177.584 0.039 0.000 1.235 437 A CA -0.647 51.508 52.037 0.197 0.000 0.867 437 A CB 0.308 19.407 19.000 0.165 0.000 1.137 437 A HN 0.849 nan 8.150 nan 0.000 0.527 438 R N 3.624 124.078 120.500 -0.077 0.000 2.198 438 R HA 0.508 4.823 4.340 -0.041 0.000 0.339 438 R C -1.507 174.590 176.300 -0.337 0.000 1.020 438 R CA -0.314 55.521 56.100 -0.441 0.000 0.864 438 R CB 0.228 30.140 30.300 -0.646 0.000 1.105 438 R HN 0.717 nan 8.270 nan 0.000 0.463 439 L N 4.582 125.598 121.223 -0.345 0.000 2.324 439 L HA 0.247 4.563 4.340 -0.041 0.000 0.274 439 L C -0.417 176.325 176.870 -0.214 0.000 1.012 439 L CA -0.869 53.853 54.840 -0.198 0.000 0.859 439 L CB 1.440 43.451 42.059 -0.081 0.000 1.224 439 L HN 0.544 nan 8.230 nan 0.000 0.429 440 D N 5.011 125.298 120.400 -0.189 0.000 2.383 440 D HA 0.148 4.763 4.640 -0.041 0.000 0.245 440 D C 0.230 176.512 176.300 -0.030 0.000 1.263 440 D CA -0.241 53.703 54.000 -0.094 0.000 0.936 440 D CB 0.599 41.363 40.800 -0.061 0.000 1.053 440 D HN 0.154 nan 8.370 nan 0.000 0.507 441 M N 2.236 121.836 119.600 -0.001 0.000 2.245 441 M HA 0.347 4.802 4.480 -0.041 0.000 0.330 441 M C 0.451 176.777 176.300 0.045 0.000 1.098 441 M CA -0.360 54.945 55.300 0.007 0.000 1.172 441 M CB 0.712 33.327 32.600 0.026 0.000 1.467 441 M HN 0.492 nan 8.290 nan 0.000 0.454 442 A N 3.268 126.052 122.820 -0.060 0.000 3.368 442 A HA 0.367 4.662 4.320 -0.041 0.000 0.211 442 A C -0.409 177.085 177.584 -0.150 0.000 1.004 442 A CA -0.558 51.360 52.037 -0.199 0.000 1.059 442 A CB 0.091 18.827 19.000 -0.440 0.000 1.298 442 A HN 0.604 nan 8.150 nan 0.000 0.613 443 I N 1.678 122.223 120.570 -0.042 0.000 2.691 443 I HA 0.051 4.196 4.170 -0.041 0.000 0.288 443 I C 0.387 176.557 176.117 0.089 0.000 1.143 443 I CA 0.868 62.207 61.300 0.066 0.000 1.364 443 I CB -0.961 37.118 38.000 0.133 0.000 1.435 443 I HN 0.477 nan 8.210 nan 0.000 0.551 444 D N 4.962 125.430 120.400 0.114 0.000 2.911 444 D HA -0.163 4.453 4.640 -0.041 0.000 0.227 444 D C 0.633 176.890 176.300 -0.072 0.000 1.164 444 D CA 1.681 55.688 54.000 0.010 0.000 0.782 444 D CB -0.741 40.034 40.800 -0.042 0.000 1.094 444 D HN 1.096 nan 8.370 nan 0.000 0.425 445 G N -2.309 106.395 108.800 -0.160 0.000 2.354 445 G HA2 -0.008 3.928 3.960 -0.041 0.000 0.582 445 G HA3 -0.008 3.928 3.960 -0.041 0.000 0.582 445 G C 0.135 174.871 174.900 -0.274 0.000 1.316 445 G CA -0.402 44.545 45.100 -0.255 0.000 0.995 445 G HN 0.008 nan 8.290 nan 0.000 0.573 446 F N 0.699 120.639 119.950 -0.016 0.000 2.710 446 F HA 0.225 4.727 4.527 -0.041 0.000 0.298 446 F C 2.258 178.057 175.800 -0.003 0.000 1.137 446 F CA 1.091 59.076 58.000 -0.026 0.000 1.444 446 F CB 0.294 39.262 39.000 -0.053 0.000 1.111 446 F HN 0.277 nan 8.300 nan 0.000 0.580 447 T N 2.804 117.448 114.554 0.149 0.000 2.978 447 T HA 0.146 4.471 4.350 -0.041 0.000 0.278 447 T C -0.038 174.715 174.700 0.088 0.000 0.945 447 T CA -0.060 62.105 62.100 0.107 0.000 1.070 447 T CB -0.534 68.378 68.868 0.073 0.000 0.948 447 T HN 0.001 nan 8.240 nan 0.000 0.617 448 N N 2.761 121.521 118.700 0.101 0.000 2.453 448 N HA 0.710 5.425 4.740 -0.041 0.000 0.290 448 N C -0.236 175.327 175.510 0.089 0.000 1.250 448 N CA -1.013 52.092 53.050 0.091 0.000 0.815 448 N CB 1.988 40.532 38.487 0.096 0.000 1.381 448 N HN 0.606 nan 8.380 nan 0.000 0.510 449 R N -1.731 118.823 120.500 0.089 0.000 2.710 449 R HA 0.733 5.049 4.340 -0.041 0.000 0.270 449 R C -1.884 174.476 176.300 0.101 0.000 1.021 449 R CA -0.844 55.310 56.100 0.090 0.000 0.889 449 R CB 0.650 30.996 30.300 0.077 0.000 1.243 449 R HN 0.186 nan 8.270 nan 0.000 0.464 450 V N 1.124 121.104 119.914 0.110 0.000 2.604 450 V HA 0.444 4.540 4.120 -0.041 0.000 0.305 450 V C -0.526 175.653 176.094 0.143 0.000 1.043 450 V CA -0.724 61.658 62.300 0.136 0.000 0.888 450 V CB 1.806 33.717 31.823 0.147 0.000 0.995 450 V HN 0.766 nan 8.190 nan 0.000 0.429 451 E N 2.223 122.514 120.200 0.152 0.000 2.222 451 E HA 0.425 4.751 4.350 -0.041 0.000 0.267 451 E C -0.969 175.713 176.600 0.137 0.000 0.884 451 E CA -0.643 55.829 56.400 0.121 0.000 0.764 451 E CB 2.802 32.543 29.700 0.068 0.000 1.169 451 E HN 0.728 nan 8.360 nan 0.000 0.413 452 E N 2.679 122.943 120.200 0.108 0.000 2.167 452 E HA 0.068 4.394 4.350 -0.041 0.000 0.284 452 E C -0.988 175.530 176.600 -0.137 0.000 1.016 452 E CA -0.252 56.124 56.400 -0.039 0.000 0.817 452 E CB 0.888 30.626 29.700 0.064 0.000 1.080 452 E HN 0.401 nan 8.360 nan 0.000 0.397 453 E N 4.279 124.323 120.200 -0.260 0.000 2.133 453 E HA 0.186 4.511 4.350 -0.041 0.000 0.274 453 E C -1.261 175.210 176.600 -0.215 0.000 0.930 453 E CA -0.787 55.504 56.400 -0.182 0.000 0.770 453 E CB 0.954 30.566 29.700 -0.147 0.000 1.104 453 E HN 0.401 nan 8.360 nan 0.000 0.403 454 D N 2.523 122.845 120.400 -0.130 0.000 2.457 454 D HA 0.274 4.890 4.640 -0.041 0.000 0.240 454 D C -0.573 175.694 176.300 -0.055 0.000 1.041 454 D CA -0.547 53.388 54.000 -0.110 0.000 0.861 454 D CB 2.171 42.922 40.800 -0.082 0.000 1.394 454 D HN 0.161 nan 8.370 nan 0.000 0.473 455 V N 1.270 121.156 119.914 -0.047 0.000 2.775 455 V HA 0.260 4.355 4.120 -0.041 0.000 0.299 455 V C 0.145 176.244 176.094 0.009 0.000 1.062 455 V CA -0.286 62.012 62.300 -0.003 0.000 1.063 455 V CB 1.527 33.326 31.823 -0.041 0.000 0.994 455 V HN 0.267 nan 8.190 nan 0.000 0.483 456 V N 5.762 125.711 119.914 0.058 0.000 2.443 456 V HA 0.437 4.532 4.120 -0.041 0.000 0.293 456 V C 0.181 176.325 176.094 0.083 0.000 1.021 456 V CA -0.781 61.549 62.300 0.050 0.000 0.848 456 V CB 1.596 33.445 31.823 0.043 0.000 0.998 456 V HN 0.818 nan 8.190 nan 0.000 0.424 457 R N 3.393 123.923 120.500 0.049 0.000 2.531 457 R HA 0.573 4.889 4.340 -0.041 0.000 0.273 457 R C -0.533 175.802 176.300 0.059 0.000 1.070 457 R CA -0.473 55.664 56.100 0.061 0.000 1.112 457 R CB 1.068 31.380 30.300 0.020 0.000 1.049 457 R HN 0.661 nan 8.270 nan 0.000 0.508 458 Q N 0.278 120.120 119.800 0.070 0.000 2.377 458 Q HA 0.300 4.616 4.340 -0.041 0.000 0.271 458 Q C -0.860 175.162 176.000 0.037 0.000 1.077 458 Q CA -0.689 55.143 55.803 0.048 0.000 0.820 458 Q CB 2.688 31.456 28.738 0.050 0.000 1.347 458 Q HN 0.473 nan 8.270 nan 0.000 0.444 459 T N 1.941 116.510 114.554 0.025 0.000 2.889 459 T HA 0.271 4.597 4.350 -0.041 0.000 0.291 459 T C 0.039 174.749 174.700 0.017 0.000 0.995 459 T CA -0.457 61.654 62.100 0.019 0.000 1.092 459 T CB 0.568 69.444 68.868 0.013 0.000 0.954 459 T HN 0.471 nan 8.240 nan 0.000 0.506 460 M N 2.908 122.518 119.600 0.016 0.000 2.238 460 M HA 0.439 4.894 4.480 -0.041 0.000 0.350 460 M C 0.474 176.780 176.300 0.009 0.000 1.321 460 M CA 0.858 56.166 55.300 0.014 0.000 1.097 460 M CB -0.490 32.118 32.600 0.013 0.000 1.713 460 M HN 0.930 nan 8.290 nan 0.000 0.455 461 G N 4.601 113.405 108.800 0.008 0.000 2.367 461 G HA2 0.214 4.150 3.960 -0.041 0.000 0.272 461 G HA3 0.214 4.150 3.960 -0.041 0.000 0.272 461 G C -3.393 171.509 174.900 0.003 0.000 1.271 461 G CA -1.081 44.022 45.100 0.005 0.000 0.893 461 G HN 0.412 nan 8.290 nan 0.000 0.485 462 P HA 0.328 nan 4.420 nan 0.000 0.261 462 P C 0.952 178.251 177.300 -0.001 0.000 1.183 462 P CA 2.297 65.397 63.100 0.000 0.000 0.761 462 P CB 0.761 32.461 31.700 0.000 0.000 0.785 463 G N 2.858 111.656 108.800 -0.003 0.000 2.199 463 G HA2 -0.271 3.665 3.960 -0.041 0.000 0.254 463 G HA3 -0.271 3.665 3.960 -0.041 0.000 0.254 463 G C 0.505 175.402 174.900 -0.006 0.000 0.982 463 G CA 0.321 45.418 45.100 -0.006 0.000 0.632 463 G HN 0.658 nan 8.290 nan 0.000 0.529 464 N N -0.091 118.608 118.700 -0.002 0.000 2.605 464 N HA 0.317 5.032 4.740 -0.041 0.000 0.265 464 N C 0.959 176.472 175.510 0.004 0.000 1.625 464 N CA 0.465 53.515 53.050 0.001 0.000 0.862 464 N CB 0.378 38.868 38.487 0.005 0.000 1.415 464 N HN 0.103 nan 8.380 nan 0.000 0.513 465 E N 0.122 120.323 120.200 0.002 0.000 2.171 465 E HA -0.051 4.274 4.350 -0.041 0.000 0.197 465 E C 1.197 177.801 176.600 0.006 0.000 0.997 465 E CA 1.247 57.649 56.400 0.003 0.000 0.810 465 E CB 0.092 29.793 29.700 0.002 0.000 0.738 465 E HN 0.402 nan 8.360 nan 0.000 0.467 466 R N -0.957 119.547 120.500 0.007 0.000 2.317 466 R HA 0.157 4.472 4.340 -0.041 0.000 0.208 466 R C 0.761 177.071 176.300 0.016 0.000 0.914 466 R CA 0.503 56.609 56.100 0.010 0.000 1.060 466 R CB 0.369 30.675 30.300 0.009 0.000 1.015 466 R HN 0.234 nan 8.270 nan 0.000 0.498 467 G N 2.387 111.198 108.800 0.018 0.000 2.273 467 G HA2 -0.295 3.641 3.960 -0.041 0.000 0.280 467 G HA3 -0.295 3.641 3.960 -0.041 0.000 0.280 467 G C 0.415 175.340 174.900 0.042 0.000 1.047 467 G CA 0.721 45.837 45.100 0.027 0.000 0.869 467 G HN 0.572 nan 8.290 nan 0.000 0.502 468 N N -0.537 118.189 118.700 0.044 0.000 2.294 468 N HA 0.362 5.077 4.740 -0.041 0.000 0.186 468 N C 1.124 176.694 175.510 0.100 0.000 1.107 468 N CA 0.705 53.797 53.050 0.069 0.000 0.884 468 N CB 0.051 38.566 38.487 0.047 0.000 1.030 468 N HN 0.975 nan 8.380 nan 0.000 0.482 469 A N 0.981 123.833 122.820 0.053 0.000 2.445 469 A HA 0.447 4.743 4.320 -0.041 0.000 0.242 469 A C -0.460 177.205 177.584 0.135 0.000 1.075 469 A CA -0.195 51.852 52.037 0.018 0.000 0.777 469 A CB -0.365 18.626 19.000 -0.016 0.000 1.013 469 A HN 0.473 nan 8.150 nan 0.000 0.493 470 F N 0.071 120.016 119.950 -0.009 0.000 2.641 470 F HA 0.786 5.289 4.527 -0.041 0.000 0.308 470 F C -0.336 175.457 175.800 -0.012 0.000 1.105 470 F CA -0.439 57.555 58.000 -0.011 0.000 0.964 470 F CB 0.919 39.913 39.000 -0.012 0.000 1.294 470 F HN 0.603 nan 8.300 nan 0.000 0.442 471 S N 1.177 117.007 115.700 0.218 0.000 3.132 471 S HA 0.865 5.311 4.470 -0.041 0.000 0.322 471 S C -1.428 173.261 174.600 0.149 0.000 1.124 471 S CA -0.743 57.511 58.200 0.089 0.000 0.906 471 S CB 1.467 64.680 63.200 0.022 0.000 1.349 471 S HN 1.135 nan 8.310 nan 0.000 0.686 472 R N 0.522 121.062 120.500 0.066 0.000 2.710 472 R HA 0.608 4.923 4.340 -0.041 0.000 0.270 472 R C -2.032 174.277 176.300 0.014 0.000 1.021 472 R CA -0.925 55.202 56.100 0.045 0.000 0.889 472 R CB 1.257 31.581 30.300 0.041 0.000 1.243 472 R HN 0.711 nan 8.270 nan 0.000 0.464 473 K N 1.556 121.955 120.400 -0.002 0.000 2.469 473 K HA 0.585 4.880 4.320 -0.041 0.000 0.254 473 K C -1.191 175.398 176.600 -0.018 0.000 0.939 473 K CA -1.139 55.144 56.287 -0.006 0.000 0.812 473 K CB 2.798 35.296 32.500 -0.004 0.000 1.301 473 K HN 0.631 nan 8.250 nan 0.000 0.433 474 R N 1.030 121.524 120.500 -0.009 0.000 2.621 474 R HA 0.401 4.716 4.340 -0.041 0.000 0.292 474 R C -1.134 175.171 176.300 0.009 0.000 0.969 474 R CA -0.943 55.153 56.100 -0.007 0.000 0.887 474 R CB 2.564 32.865 30.300 0.000 0.000 1.180 474 R HN 0.662 nan 8.270 nan 0.000 0.450 475 T N 2.142 116.707 114.554 0.018 0.000 2.815 475 T HA 0.222 4.548 4.350 -0.041 0.000 0.289 475 T C -0.098 174.635 174.700 0.056 0.000 1.000 475 T CA -0.592 61.529 62.100 0.034 0.000 0.958 475 T CB 1.591 70.480 68.868 0.034 0.000 0.944 475 T HN 0.146 nan 8.240 nan 0.000 0.442 476 V N 5.132 125.078 119.914 0.052 0.000 2.572 476 V HA 0.216 4.312 4.120 -0.041 0.000 0.291 476 V C 0.351 176.486 176.094 0.069 0.000 1.039 476 V CA -0.452 61.887 62.300 0.064 0.000 1.055 476 V CB 0.462 32.316 31.823 0.052 0.000 0.969 476 V HN 0.711 nan 8.190 nan 0.000 0.482 477 L N 5.609 126.883 121.223 0.085 0.000 2.268 477 L HA 0.270 4.586 4.340 -0.041 0.000 0.289 477 L C 1.465 178.378 176.870 0.072 0.000 1.064 477 L CA -0.141 54.748 54.840 0.081 0.000 0.824 477 L CB 0.985 43.103 42.059 0.098 0.000 1.202 477 L HN 0.908 nan 8.230 nan 0.000 0.433 478 T N -0.521 114.068 114.554 0.059 0.000 3.044 478 T HA 0.168 4.493 4.350 -0.041 0.000 0.255 478 T C 0.980 175.713 174.700 0.054 0.000 1.073 478 T CA 0.082 62.215 62.100 0.054 0.000 1.125 478 T CB 0.368 69.263 68.868 0.044 0.000 0.908 478 T HN 0.324 nan 8.240 nan 0.000 0.480 479 R N 0.650 121.182 120.500 0.053 0.000 2.795 479 R HA 0.435 4.750 4.340 -0.041 0.000 0.275 479 R C 0.594 176.930 176.300 0.059 0.000 0.981 479 R CA -0.528 55.604 56.100 0.053 0.000 0.917 479 R CB 1.621 31.946 30.300 0.042 0.000 1.202 479 R HN 0.248 nan 8.270 nan 0.000 0.469 480 E N 0.415 120.656 120.200 0.069 0.000 2.160 480 E HA -0.183 4.143 4.350 -0.041 0.000 0.195 480 E C 1.368 178.006 176.600 0.063 0.000 0.991 480 E CA 1.936 58.387 56.400 0.084 0.000 0.810 480 E CB 0.145 29.905 29.700 0.099 0.000 0.742 480 E HN 0.620 nan 8.360 nan 0.000 0.466 481 S N 1.106 116.834 115.700 0.047 0.000 2.469 481 S HA -0.179 4.266 4.470 -0.041 0.000 0.238 481 S C 1.499 176.105 174.600 0.010 0.000 0.998 481 S CA 1.325 59.542 58.200 0.029 0.000 0.957 481 S CB -0.311 62.905 63.200 0.025 0.000 0.764 481 S HN 0.466 nan 8.310 nan 0.000 0.514 482 E N -0.007 120.203 120.200 0.017 0.000 2.624 482 E HA 0.554 4.879 4.350 -0.041 0.000 0.210 482 E C 0.729 177.333 176.600 0.007 0.000 0.997 482 E CA 0.130 56.535 56.400 0.008 0.000 0.999 482 E CB 0.464 30.178 29.700 0.022 0.000 1.040 482 E HN 0.462 nan 8.360 nan 0.000 0.469 483 A N 0.994 123.816 122.820 0.004 0.000 2.545 483 A HA 0.329 4.624 4.320 -0.041 0.000 0.277 483 A C 0.135 177.661 177.584 -0.096 0.000 1.301 483 A CA -0.243 51.797 52.037 0.005 0.000 0.935 483 A CB 0.274 19.317 19.000 0.072 0.000 1.093 483 A HN 0.117 nan 8.150 nan 0.000 0.519 484 V N 2.799 122.584 119.914 -0.215 0.000 2.275 484 V HA 0.371 4.466 4.120 -0.041 0.000 0.272 484 V C -0.465 175.396 176.094 -0.389 0.000 1.028 484 V CA -0.741 61.233 62.300 -0.543 0.000 0.810 484 V CB 0.475 31.893 31.823 -0.676 0.000 1.043 484 V HN 0.466 nan 8.190 nan 0.000 0.453 485 R N 2.933 123.221 120.500 -0.353 0.000 2.668 485 R HA 0.707 5.023 4.340 -0.041 0.000 0.279 485 R C -0.342 175.911 176.300 -0.079 0.000 0.976 485 R CA -0.674 55.355 56.100 -0.118 0.000 0.978 485 R CB 1.816 32.162 30.300 0.077 0.000 1.133 485 R HN 0.623 nan 8.270 nan 0.000 0.484 486 E N 0.381 120.639 120.200 0.096 0.000 2.222 486 E HA 0.567 4.893 4.350 -0.041 0.000 0.267 486 E C -0.591 176.213 176.600 0.339 0.000 0.963 486 E CA -0.946 55.536 56.400 0.137 0.000 0.837 486 E CB 2.020 31.764 29.700 0.073 0.000 1.183 486 E HN 0.633 nan 8.360 nan 0.000 0.403 487 A N 1.389 124.404 122.820 0.325 0.000 2.332 487 A HA 0.252 4.547 4.320 -0.041 0.000 0.258 487 A C -0.264 177.421 177.584 0.167 0.000 1.087 487 A CA -0.046 52.208 52.037 0.362 0.000 0.802 487 A CB 0.423 19.622 19.000 0.330 0.000 1.042 487 A HN 0.593 nan 8.150 nan 0.000 0.489 488 D N 0.324 120.771 120.400 0.079 0.000 2.527 488 D HA 0.409 5.025 4.640 -0.041 0.000 0.242 488 D C 0.751 177.049 176.300 -0.004 0.000 1.285 488 D CA 0.292 54.307 54.000 0.024 0.000 0.886 488 D CB 0.728 41.523 40.800 -0.008 0.000 1.402 488 D HN 0.476 nan 8.370 nan 0.000 0.528 489 A N 2.773 125.610 122.820 0.028 0.000 1.940 489 A HA -0.182 4.114 4.320 -0.041 0.000 0.219 489 A C 2.072 179.652 177.584 -0.008 0.000 1.176 489 A CA 1.364 53.413 52.037 0.020 0.000 0.631 489 A CB -0.247 18.780 19.000 0.046 0.000 0.814 489 A HN 0.499 nan 8.150 nan 0.000 0.446 490 R N -0.215 120.280 120.500 -0.008 0.000 2.127 490 R HA -0.129 4.186 4.340 -0.041 0.000 0.238 490 R C 1.626 177.901 176.300 -0.041 0.000 1.134 490 R CA 1.911 57.997 56.100 -0.022 0.000 0.975 490 R CB -0.342 29.949 30.300 -0.015 0.000 0.865 490 R HN 0.624 nan 8.270 nan 0.000 0.447 491 T N -3.430 111.096 114.554 -0.046 0.000 3.186 491 T HA 0.227 4.552 4.350 -0.041 0.000 0.257 491 T C 0.888 175.540 174.700 -0.080 0.000 1.029 491 T CA 0.215 62.278 62.100 -0.061 0.000 0.916 491 T CB 0.717 69.551 68.868 -0.057 0.000 1.041 491 T HN 0.354 nan 8.240 nan 0.000 0.562 492 G N 2.413 111.169 108.800 -0.074 0.000 2.341 492 G HA2 -0.348 3.587 3.960 -0.041 0.000 0.292 492 G HA3 -0.348 3.587 3.960 -0.041 0.000 0.292 492 G C 0.045 174.860 174.900 -0.141 0.000 1.021 492 G CA 0.250 45.304 45.100 -0.077 0.000 0.905 492 G HN 0.910 nan 8.290 nan 0.000 0.508 493 R N 0.550 120.928 120.500 -0.203 0.000 2.522 493 R HA 0.428 4.743 4.340 -0.041 0.000 0.284 493 R C 0.851 176.771 176.300 -0.633 0.000 1.032 493 R CA 0.960 56.817 56.100 -0.406 0.000 1.049 493 R CB 0.230 30.275 30.300 -0.424 0.000 0.956 493 R HN 0.462 nan 8.270 nan 0.000 0.422 494 T N 0.689 114.787 114.554 -0.760 0.000 2.838 494 T HA 0.533 4.858 4.350 -0.041 0.000 0.292 494 T C -1.005 173.165 174.700 -0.884 0.000 1.113 494 T CA -0.959 60.692 62.100 -0.748 0.000 1.008 494 T CB 1.250 69.843 68.868 -0.459 0.000 1.259 494 T HN 0.559 nan 8.240 nan 0.000 0.520 495 W N 0.658 121.898 121.300 -0.101 0.000 2.739 495 W HA 0.592 5.227 4.660 -0.041 0.000 0.331 495 W C -1.117 175.376 176.519 -0.043 0.000 1.049 495 W CA -1.182 56.131 57.345 -0.052 0.000 1.234 495 W CB 1.628 31.067 29.460 -0.035 0.000 1.404 495 W HN 0.583 nan 8.180 nan 0.000 0.477 496 I N 4.479 125.141 120.570 0.154 0.000 2.354 496 I HA 0.284 4.429 4.170 -0.041 0.000 0.292 496 I C -0.355 175.847 176.117 0.143 0.000 0.989 496 I CA -0.994 60.375 61.300 0.115 0.000 1.188 496 I CB 1.287 39.324 38.000 0.061 0.000 1.342 496 I HN 0.071 nan 8.210 nan 0.000 0.457 497 I N 6.155 126.816 120.570 0.152 0.000 2.321 497 I HA 0.295 4.441 4.170 -0.041 0.000 0.291 497 I C 0.386 176.589 176.117 0.142 0.000 0.998 497 I CA 0.347 61.730 61.300 0.138 0.000 1.227 497 I CB 1.294 39.368 38.000 0.124 0.000 1.368 497 I HN 0.613 nan 8.210 nan 0.000 0.466 498 S N 4.137 119.909 115.700 0.119 0.000 2.704 498 S HA 0.606 5.051 4.470 -0.041 0.000 0.296 498 S C -0.787 173.870 174.600 0.094 0.000 1.138 498 S CA -0.928 57.341 58.200 0.115 0.000 0.875 498 S CB 1.975 65.229 63.200 0.089 0.000 1.151 498 S HN 0.499 nan 8.310 nan 0.000 0.500 499 N N 1.777 120.526 118.700 0.080 0.000 2.518 499 N HA 0.384 5.099 4.740 -0.041 0.000 0.254 499 N C -2.070 173.461 175.510 0.035 0.000 0.979 499 N CA -2.275 50.808 53.050 0.055 0.000 0.930 499 N CB 1.695 40.207 38.487 0.041 0.000 1.152 499 N HN 0.406 nan 8.380 nan 0.000 0.505 500 P HA -0.031 nan 4.420 nan 0.000 0.234 500 P C 0.094 177.403 177.300 0.015 0.000 1.167 500 P CA 1.039 64.155 63.100 0.026 0.000 0.763 500 P CB 0.556 32.276 31.700 0.033 0.000 0.835 501 E N -1.028 119.179 120.200 0.012 0.000 2.498 501 E HA 0.124 4.449 4.350 -0.041 0.000 0.203 501 E C 0.199 176.790 176.600 -0.014 0.000 1.013 501 E CA -0.065 56.336 56.400 0.002 0.000 0.927 501 E CB 0.463 30.168 29.700 0.009 0.000 1.012 501 E HN -0.006 nan 8.360 nan 0.000 0.482 502 S N 1.131 116.817 115.700 -0.024 0.000 2.640 502 S HA 0.341 4.786 4.470 -0.041 0.000 0.320 502 S C -0.937 173.622 174.600 -0.067 0.000 1.097 502 S CA -0.695 57.472 58.200 -0.056 0.000 1.092 502 S CB 0.414 63.568 63.200 -0.077 0.000 0.988 502 S HN -0.041 nan 8.310 nan 0.000 0.470 503 K N 2.907 123.265 120.400 -0.069 0.000 2.208 503 K HA 0.433 4.729 4.320 -0.041 0.000 0.247 503 K C -0.127 176.419 176.600 -0.091 0.000 0.953 503 K CA -1.051 55.196 56.287 -0.067 0.000 0.837 503 K CB 1.029 33.504 32.500 -0.041 0.000 1.131 503 K HN 0.749 nan 8.250 nan 0.000 0.431 504 N N 0.407 119.054 118.700 -0.088 0.000 2.364 504 N HA 0.021 4.736 4.740 -0.041 0.000 0.264 504 N C 0.696 176.172 175.510 -0.056 0.000 1.263 504 N CA -0.477 52.518 53.050 -0.091 0.000 0.959 504 N CB 0.311 38.751 38.487 -0.079 0.000 1.204 504 N HN 0.581 nan 8.380 nan 0.000 0.550 505 R N -0.651 119.822 120.500 -0.044 0.000 2.293 505 R HA -0.011 4.305 4.340 -0.041 0.000 0.219 505 R C 0.452 176.738 176.300 -0.023 0.000 1.091 505 R CA 1.120 57.202 56.100 -0.030 0.000 1.004 505 R CB -0.726 29.561 30.300 -0.021 0.000 0.865 505 R HN 0.573 nan 8.270 nan 0.000 0.469 506 L N 1.182 122.391 121.223 -0.023 0.000 2.685 506 L HA 0.155 4.471 4.340 -0.041 0.000 0.233 506 L C 0.198 177.057 176.870 -0.018 0.000 1.173 506 L CA -0.078 54.751 54.840 -0.018 0.000 0.961 506 L CB -0.634 41.416 42.059 -0.014 0.000 1.217 506 L HN 0.440 nan 8.230 nan 0.000 0.478 507 N N 1.392 120.078 118.700 -0.022 0.000 2.754 507 N HA -0.202 4.514 4.740 -0.041 0.000 0.248 507 N C 0.004 175.503 175.510 -0.018 0.000 1.093 507 N CA 0.244 53.281 53.050 -0.021 0.000 0.699 507 N CB -0.160 38.318 38.487 -0.015 0.000 1.016 507 N HN 0.369 nan 8.380 nan 0.000 0.552 508 E N 0.381 120.568 120.200 -0.021 0.000 2.199 508 E HA 0.490 4.815 4.350 -0.041 0.000 0.269 508 E C -2.642 173.947 176.600 -0.019 0.000 0.899 508 E CA -2.069 54.322 56.400 -0.015 0.000 0.772 508 E CB 1.348 31.041 29.700 -0.011 0.000 1.155 508 E HN 0.024 nan 8.360 nan 0.000 0.408 509 P HA -0.048 nan 4.420 nan 0.000 0.264 509 P C -0.663 176.640 177.300 0.005 0.000 1.193 509 P CA -0.125 62.974 63.100 -0.001 0.000 0.763 509 P CB 0.345 32.055 31.700 0.017 0.000 0.810 510 V N 1.896 121.802 119.914 -0.013 0.000 2.843 510 V HA 0.745 4.840 4.120 -0.041 0.000 0.305 510 V C 0.580 176.764 176.094 0.150 0.000 1.065 510 V CA 0.243 62.549 62.300 0.011 0.000 1.116 510 V CB 0.361 32.093 31.823 -0.151 0.000 0.968 510 V HN 0.733 nan 8.190 nan 0.000 0.487 511 G N 2.128 111.069 108.800 0.235 0.000 2.600 511 G HA2 0.603 4.538 3.960 -0.041 0.000 0.293 511 G HA3 0.603 4.538 3.960 -0.041 0.000 0.293 511 G C -2.332 172.700 174.900 0.220 0.000 1.408 511 G CA -0.740 44.505 45.100 0.241 0.000 0.782 511 G HN 0.743 nan 8.290 nan 0.000 0.482 512 Y N -0.087 120.239 120.300 0.043 0.000 2.457 512 Y HA 0.601 5.126 4.550 -0.041 0.000 0.343 512 Y C 0.071 175.999 175.900 0.047 0.000 0.994 512 Y CA -0.801 57.307 58.100 0.015 0.000 1.031 512 Y CB 2.764 41.199 38.460 -0.041 0.000 1.246 512 Y HN 0.509 nan 8.280 nan 0.000 0.449 513 K N 4.157 124.619 120.400 0.104 0.000 2.235 513 K HA 0.516 4.811 4.320 -0.041 0.000 0.266 513 K C -1.615 175.024 176.600 0.064 0.000 0.980 513 K CA -0.853 55.455 56.287 0.035 0.000 0.849 513 K CB 0.937 33.392 32.500 -0.076 0.000 1.098 513 K HN 0.613 nan 8.250 nan 0.000 0.445 514 L N 5.165 126.422 121.223 0.057 0.000 2.265 514 L HA 0.284 4.599 4.340 -0.041 0.000 0.288 514 L C -1.369 175.500 176.870 -0.001 0.000 1.058 514 L CA 0.089 54.998 54.840 0.115 0.000 0.809 514 L CB 0.382 42.515 42.059 0.124 0.000 1.179 514 L HN 0.650 nan 8.230 nan 0.000 0.429 515 H N 4.511 123.685 119.070 0.174 0.000 2.581 515 H HA 0.711 5.243 4.556 -0.041 0.000 0.308 515 H C -0.019 175.439 175.328 0.218 0.000 1.040 515 H CA 0.034 56.179 56.048 0.162 0.000 1.231 515 H CB 1.266 31.111 29.762 0.137 0.000 1.396 515 H HN 0.889 nan 8.280 nan 0.000 0.467 516 A N 2.244 125.257 122.820 0.321 0.000 2.264 516 A HA 0.217 4.513 4.320 -0.041 0.000 0.304 516 A C 0.368 178.239 177.584 0.478 0.000 1.100 516 A CA -0.563 51.701 52.037 0.378 0.000 0.839 516 A CB 0.509 19.774 19.000 0.443 0.000 1.121 516 A HN 1.022 nan 8.150 nan 0.000 0.496 517 H N 0.637 119.888 119.070 0.302 0.000 2.551 517 H HA 0.007 4.538 4.556 -0.041 0.000 0.266 517 H C -0.146 175.300 175.328 0.197 0.000 0.964 517 H CA 0.219 56.394 56.048 0.212 0.000 1.180 517 H CB 0.178 30.055 29.762 0.191 0.000 1.408 517 H HN 0.746 nan 8.280 nan 0.000 0.563 518 N N 2.023 120.945 118.700 0.370 0.000 2.740 518 N HA -0.165 4.551 4.740 -0.041 0.000 0.248 518 N C -0.572 175.068 175.510 0.218 0.000 1.062 518 N CA 0.546 53.761 53.050 0.275 0.000 0.704 518 N CB -0.897 37.712 38.487 0.203 0.000 0.968 518 N HN 0.522 nan 8.380 nan 0.000 0.547 519 Q N -0.172 119.770 119.800 0.238 0.000 2.382 519 Q HA 0.375 4.691 4.340 -0.041 0.000 0.229 519 Q C -1.824 174.254 176.000 0.130 0.000 1.006 519 Q CA -1.070 54.837 55.803 0.174 0.000 0.916 519 Q CB 0.213 29.064 28.738 0.189 0.000 1.235 519 Q HN 0.132 nan 8.270 nan 0.000 0.512 520 P HA 0.004 nan 4.420 nan 0.000 0.269 520 P C -0.260 177.058 177.300 0.030 0.000 1.209 520 P CA 0.213 63.346 63.100 0.055 0.000 0.776 520 P CB 0.482 32.203 31.700 0.034 0.000 0.876 521 T N -0.045 114.519 114.554 0.016 0.000 2.902 521 T HA 0.333 4.659 4.350 -0.041 0.000 0.287 521 T C 0.255 174.914 174.700 -0.069 0.000 1.048 521 T CA -0.924 61.163 62.100 -0.022 0.000 0.941 521 T CB 0.049 68.916 68.868 -0.003 0.000 1.432 521 T HN 0.187 nan 8.240 nan 0.000 0.586 522 L N 1.029 122.182 121.223 -0.117 0.000 2.628 522 L HA 0.123 4.438 4.340 -0.041 0.000 0.274 522 L C 0.785 177.607 176.870 -0.080 0.000 1.209 522 L CA 0.279 55.036 54.840 -0.138 0.000 0.930 522 L CB -0.514 41.437 42.059 -0.181 0.000 1.183 522 L HN 0.651 nan 8.230 nan 0.000 0.492 523 L N 5.038 126.217 121.223 -0.074 0.000 2.375 523 L HA 0.228 4.544 4.340 -0.041 0.000 0.215 523 L C 1.428 178.289 176.870 -0.015 0.000 1.108 523 L CA 0.224 55.045 54.840 -0.032 0.000 0.830 523 L CB -0.509 41.538 42.059 -0.021 0.000 0.959 523 L HN 0.842 nan 8.230 nan 0.000 0.457 524 A N 0.666 123.470 122.820 -0.028 0.000 2.547 524 A HA -0.100 4.196 4.320 -0.041 0.000 0.233 524 A C 0.299 177.886 177.584 0.004 0.000 1.067 524 A CA -0.080 51.954 52.037 -0.005 0.000 0.763 524 A CB -0.051 18.944 19.000 -0.008 0.000 1.007 524 A HN 0.272 nan 8.150 nan 0.000 0.506 525 D N 1.552 121.964 120.400 0.019 0.000 2.472 525 D HA 0.037 4.653 4.640 -0.041 0.000 0.237 525 D C -1.458 174.850 176.300 0.013 0.000 1.141 525 D CA -0.980 53.032 54.000 0.020 0.000 0.875 525 D CB 0.807 41.624 40.800 0.029 0.000 1.192 525 D HN 0.159 nan 8.370 nan 0.000 0.450 526 P HA -0.048 nan 4.420 nan 0.000 0.219 526 P C 0.969 178.273 177.300 0.008 0.000 1.146 526 P CA 1.056 64.160 63.100 0.006 0.000 0.808 526 P CB 0.158 31.862 31.700 0.006 0.000 0.779 527 G N -1.023 107.785 108.800 0.012 0.000 3.042 527 G HA2 0.028 3.964 3.960 -0.041 0.000 0.212 527 G HA3 0.028 3.964 3.960 -0.041 0.000 0.212 527 G C 0.408 175.318 174.900 0.016 0.000 1.166 527 G CA 0.045 45.152 45.100 0.012 0.000 0.767 527 G HN 0.366 nan 8.290 nan 0.000 0.546 528 S N -0.568 115.147 115.700 0.025 0.000 2.600 528 S HA 0.298 4.743 4.470 -0.041 0.000 0.265 528 S C 1.567 176.176 174.600 0.015 0.000 1.325 528 S CA 0.416 58.642 58.200 0.044 0.000 1.002 528 S CB 1.688 64.926 63.200 0.064 0.000 0.921 528 S HN 0.065 nan 8.310 nan 0.000 0.554 529 S N 0.554 116.255 115.700 0.000 0.000 2.368 529 S HA -0.136 4.309 4.470 -0.041 0.000 0.225 529 S C 1.686 176.264 174.600 -0.037 0.000 1.030 529 S CA 1.126 59.258 58.200 -0.113 0.000 0.999 529 S CB -0.807 62.139 63.200 -0.423 0.000 0.844 529 S HN 0.702 nan 8.310 nan 0.000 0.459 530 I N 2.118 122.712 120.570 0.040 0.000 2.286 530 I HA -0.003 4.142 4.170 -0.041 0.000 0.248 530 I C 2.289 178.422 176.117 0.026 0.000 1.115 530 I CA 1.327 62.672 61.300 0.074 0.000 1.392 530 I CB -0.913 37.132 38.000 0.075 0.000 1.065 530 I HN 0.325 nan 8.210 nan 0.000 0.418 531 A N 0.217 123.039 122.820 0.002 0.000 2.015 531 A HA -0.158 4.137 4.320 -0.041 0.000 0.219 531 A C 2.397 179.975 177.584 -0.010 0.000 1.163 531 A CA 1.470 53.496 52.037 -0.020 0.000 0.646 531 A CB -0.524 18.469 19.000 -0.011 0.000 0.806 531 A HN 0.488 nan 8.150 nan 0.000 0.448 532 R N -0.963 119.535 120.500 -0.002 0.000 2.090 532 R HA 0.088 4.403 4.340 -0.041 0.000 0.219 532 R C 2.256 178.559 176.300 0.004 0.000 1.100 532 R CA 1.003 57.100 56.100 -0.005 0.000 0.991 532 R CB -0.185 30.104 30.300 -0.018 0.000 0.893 532 R HN 0.405 nan 8.270 nan 0.000 0.443 533 R N 0.371 120.892 120.500 0.036 0.000 2.153 533 R HA 0.107 4.422 4.340 -0.041 0.000 0.218 533 R C 0.862 177.266 176.300 0.173 0.000 1.072 533 R CA 1.060 57.198 56.100 0.064 0.000 0.990 533 R CB 0.298 30.648 30.300 0.084 0.000 0.889 533 R HN 0.069 nan 8.270 nan 0.000 0.452 534 A N 0.178 123.109 122.820 0.185 0.000 2.985 534 A HA 0.495 4.790 4.320 -0.041 0.000 0.303 534 A C 1.156 178.637 177.584 -0.171 0.000 1.048 534 A CA -0.098 52.026 52.037 0.147 0.000 1.016 534 A CB 0.302 19.302 19.000 -0.001 0.000 1.118 534 A HN 0.232 nan 8.150 nan 0.000 0.529 535 A N 0.284 123.075 122.820 -0.047 0.000 1.978 535 A HA -0.068 4.227 4.320 -0.041 0.000 0.220 535 A C 1.787 179.351 177.584 -0.033 0.000 1.170 535 A CA 1.827 53.843 52.037 -0.036 0.000 0.636 535 A CB -0.969 18.035 19.000 0.007 0.000 0.810 535 A HN 1.375 nan 8.150 nan 0.000 0.448 536 F N -0.187 119.625 119.950 -0.229 0.000 2.202 536 F HA -0.002 4.500 4.527 -0.041 0.000 0.301 536 F C 2.033 177.881 175.800 0.079 0.000 1.082 536 F CA 0.840 58.614 58.000 -0.377 0.000 1.313 536 F CB -0.941 37.730 39.000 -0.549 0.000 1.024 536 F HN 0.146 nan 8.300 nan 0.000 0.495 537 A N 0.466 122.557 122.820 -1.216 0.000 2.209 537 A HA -0.018 4.277 4.320 -0.041 0.000 0.212 537 A C 2.108 179.532 177.584 -0.268 0.000 1.158 537 A CA 1.355 52.887 52.037 -0.841 0.000 0.742 537 A CB -1.501 16.850 19.000 -1.081 0.000 0.790 537 A HN 0.595 nan 8.150 nan 0.000 0.472 538 T N -3.542 110.958 114.554 -0.090 0.000 3.081 538 T HA 0.181 4.507 4.350 -0.041 0.000 0.255 538 T C 0.608 175.327 174.700 0.032 0.000 1.113 538 T CA 0.255 62.349 62.100 -0.011 0.000 1.082 538 T CB 0.106 68.984 68.868 0.018 0.000 0.939 538 T HN 0.116 nan 8.240 nan 0.000 0.506 539 K N 1.125 121.598 120.400 0.122 0.000 2.426 539 K HA 0.393 4.689 4.320 -0.041 0.000 0.251 539 K C -0.478 176.177 176.600 0.093 0.000 0.941 539 K CA -0.500 55.778 56.287 -0.015 0.000 0.808 539 K CB 2.127 34.380 32.500 -0.411 0.000 1.265 539 K HN -0.044 nan 8.250 nan 0.000 0.432 540 D N 0.440 120.855 120.400 0.025 0.000 2.183 540 D HA -0.036 4.579 4.640 -0.041 0.000 0.203 540 D C 0.091 176.425 176.300 0.058 0.000 0.969 540 D CA 0.893 54.948 54.000 0.093 0.000 0.842 540 D CB 0.311 41.214 40.800 0.172 0.000 0.957 540 D HN 0.167 nan 8.370 nan 0.000 0.484 541 L N -0.284 120.816 121.223 -0.205 0.000 2.493 541 L HA 0.442 4.757 4.340 -0.041 0.000 0.265 541 L C -1.976 174.759 176.870 -0.225 0.000 0.954 541 L CA -0.718 53.974 54.840 -0.247 0.000 0.844 541 L CB 1.454 42.919 42.059 -0.990 0.000 1.302 541 L HN -0.132 nan 8.230 nan 0.000 0.405 542 W N 4.242 125.526 121.300 -0.026 0.000 2.761 542 W HA 0.760 5.395 4.660 -0.041 0.000 0.340 542 W C -1.113 175.507 176.519 0.167 0.000 1.072 542 W CA -0.838 56.531 57.345 0.041 0.000 1.215 542 W CB 1.963 31.426 29.460 0.005 0.000 1.420 542 W HN 0.127 nan 8.180 nan 0.000 0.519 543 V N 2.617 122.743 119.914 0.353 0.000 2.483 543 V HA 0.683 4.778 4.120 -0.041 0.000 0.297 543 V C -0.074 176.210 176.094 0.317 0.000 1.027 543 V CA -0.797 61.692 62.300 0.315 0.000 0.855 543 V CB 1.377 33.303 31.823 0.172 0.000 0.995 543 V HN 0.600 nan 8.190 nan 0.000 0.424 544 T N 1.690 116.477 114.554 0.389 0.000 2.930 544 T HA 0.760 5.085 4.350 -0.041 0.000 0.290 544 T C -0.454 174.376 174.700 0.217 0.000 1.052 544 T CA -0.963 61.317 62.100 0.301 0.000 1.017 544 T CB 2.138 71.226 68.868 0.368 0.000 1.137 544 T HN 0.501 nan 8.240 nan 0.000 0.511 545 R N 0.821 121.404 120.500 0.138 0.000 2.390 545 R HA 0.347 4.662 4.340 -0.041 0.000 0.291 545 R C -0.850 175.493 176.300 0.071 0.000 1.070 545 R CA -0.904 55.257 56.100 0.102 0.000 1.014 545 R CB -0.473 29.865 30.300 0.063 0.000 1.007 545 R HN 0.777 nan 8.270 nan 0.000 0.466 546 Y N 3.102 123.395 120.300 -0.013 0.000 2.702 546 Y HA 0.306 4.831 4.550 -0.041 0.000 0.336 546 Y C -0.755 175.088 175.900 -0.095 0.000 1.235 546 Y CA 0.868 58.928 58.100 -0.067 0.000 1.492 546 Y CB 0.495 38.883 38.460 -0.120 0.000 1.308 546 Y HN 0.744 nan 8.280 nan 0.000 0.589 547 A N 5.207 127.291 122.820 -1.226 0.000 2.488 547 A HA 0.298 4.593 4.320 -0.041 0.000 0.295 547 A C 0.154 177.106 177.584 -1.053 0.000 1.045 547 A CA -0.622 50.874 52.037 -0.901 0.000 0.703 547 A CB 0.885 19.598 19.000 -0.479 0.000 1.271 547 A HN 0.764 nan 8.150 nan 0.000 0.400 548 D N 1.117 121.130 120.400 -0.646 0.000 2.149 548 D HA -0.180 4.436 4.640 -0.041 0.000 0.194 548 D C 1.066 177.195 176.300 -0.285 0.000 1.001 548 D CA 2.362 56.165 54.000 -0.328 0.000 0.849 548 D CB 0.093 40.824 40.800 -0.115 0.000 0.939 548 D HN 0.768 nan 8.370 nan 0.000 0.449 549 D N -0.047 120.186 120.400 -0.279 0.000 2.328 549 D HA -0.050 4.566 4.640 -0.041 0.000 0.221 549 D C -0.147 175.973 176.300 -0.299 0.000 1.072 549 D CA 0.055 53.923 54.000 -0.219 0.000 0.850 549 D CB -0.574 40.148 40.800 -0.129 0.000 0.922 549 D HN 0.164 nan 8.370 nan 0.000 0.516 550 E N 0.679 120.600 120.200 -0.464 0.000 2.136 550 E HA 0.296 4.621 4.350 -0.041 0.000 0.246 550 E C 0.554 176.955 176.600 -0.332 0.000 1.017 550 E CA -0.276 55.725 56.400 -0.665 0.000 0.883 550 E CB 0.879 29.906 29.700 -1.122 0.000 1.199 550 E HN 0.165 nan 8.360 nan 0.000 0.447 551 R N 0.956 121.249 120.500 -0.345 0.000 2.146 551 R HA 0.099 4.415 4.340 -0.041 0.000 0.206 551 R C -0.003 175.966 176.300 -0.551 0.000 1.049 551 R CA 0.671 56.408 56.100 -0.605 0.000 1.029 551 R CB 0.324 29.928 30.300 -1.160 0.000 0.949 551 R HN 0.256 nan 8.270 nan 0.000 0.471 552 Y N 0.528 120.936 120.300 0.180 0.000 2.429 552 Y HA 0.299 4.825 4.550 -0.040 0.000 0.342 552 Y C -1.747 174.144 175.900 -0.015 0.000 1.004 552 Y CA -3.311 54.858 58.100 0.115 0.000 1.075 552 Y CB 1.104 39.521 38.460 -0.071 0.000 1.214 552 Y HN -0.159 nan 8.280 nan 0.000 0.455 553 P HA -0.087 nan 4.420 nan 0.000 0.234 553 P C 0.575 177.587 177.300 -0.480 0.000 1.167 553 P CA 1.370 64.127 63.100 -0.572 0.000 0.763 553 P CB 0.141 31.426 31.700 -0.692 0.000 0.835 554 T N -4.974 109.406 114.554 -0.290 0.000 3.084 554 T HA 0.515 4.840 4.350 -0.041 0.000 0.270 554 T C 0.851 175.381 174.700 -0.284 0.000 1.008 554 T CA 0.093 62.042 62.100 -0.251 0.000 0.900 554 T CB 0.061 68.824 68.868 -0.175 0.000 1.084 554 T HN 0.327 nan 8.240 nan 0.000 0.538 555 G N 1.434 110.119 108.800 -0.192 0.000 2.712 555 G HA2 -0.149 3.786 3.960 -0.041 0.000 0.683 555 G HA3 -0.149 3.786 3.960 -0.041 0.000 0.683 555 G C -0.241 174.611 174.900 -0.079 0.000 1.320 555 G CA -0.126 44.885 45.100 -0.148 0.000 0.847 555 G HN 0.151 nan 8.290 nan 0.000 0.553 556 D N -0.569 119.733 120.400 -0.163 0.000 2.162 556 D HA 0.060 4.676 4.640 -0.041 0.000 0.203 556 D C 0.948 176.754 176.300 -0.824 0.000 0.967 556 D CA 1.458 55.195 54.000 -0.439 0.000 0.840 556 D CB 0.004 40.382 40.800 -0.703 0.000 0.972 556 D HN 0.228 nan 8.370 nan 0.000 0.482 557 F N 0.561 120.409 119.950 -0.171 0.000 2.453 557 F HA 0.206 4.708 4.527 -0.041 0.000 0.358 557 F C 1.214 176.895 175.800 -0.198 0.000 1.129 557 F CA -0.576 57.301 58.000 -0.204 0.000 1.200 557 F CB 1.035 39.905 39.000 -0.217 0.000 1.431 557 F HN -0.344 nan 8.300 nan 0.000 0.503 558 V N -0.028 119.790 119.914 -0.160 0.000 2.358 558 V HA -0.242 3.854 4.120 -0.041 0.000 0.246 558 V C 1.346 177.310 176.094 -0.217 0.000 1.047 558 V CA 0.997 63.121 62.300 -0.293 0.000 1.035 558 V CB -0.535 31.000 31.823 -0.480 0.000 0.658 558 V HN 0.658 nan 8.190 nan 0.000 0.452 559 N N 1.272 119.900 118.700 -0.121 0.000 2.374 559 N HA -0.094 4.621 4.740 -0.041 0.000 0.269 559 N C 0.528 176.015 175.510 -0.038 0.000 1.310 559 N CA 0.770 53.779 53.050 -0.068 0.000 0.877 559 N CB -0.335 38.122 38.487 -0.049 0.000 1.096 559 N HN 0.486 nan 8.380 nan 0.000 0.484 560 Q N -0.149 119.631 119.800 -0.033 0.000 2.480 560 Q HA -0.309 4.007 4.340 -0.041 0.000 0.265 560 Q C -0.688 175.278 176.000 -0.057 0.000 1.072 560 Q CA 0.791 56.571 55.803 -0.038 0.000 1.018 560 Q CB -1.558 27.156 28.738 -0.039 0.000 1.433 560 Q HN 0.702 nan 8.270 nan 0.000 0.513 561 H N 0.022 119.015 119.070 -0.130 0.000 2.525 561 H HA 0.197 4.728 4.556 -0.041 0.000 0.339 561 H C 1.231 176.478 175.328 -0.134 0.000 1.109 561 H CA 0.792 56.766 56.048 -0.123 0.000 1.352 561 H CB 1.139 30.823 29.762 -0.129 0.000 1.461 561 H HN 0.263 nan 8.280 nan 0.000 0.533 562 S N 2.729 118.131 115.700 -0.497 0.000 2.440 562 S HA 0.067 4.512 4.470 -0.041 0.000 0.238 562 S C 1.040 175.605 174.600 -0.058 0.000 1.010 562 S CA 0.526 58.569 58.200 -0.261 0.000 0.972 562 S CB -0.074 62.945 63.200 -0.301 0.000 0.774 562 S HN 1.072 nan 8.310 nan 0.000 0.501 563 G N -1.273 107.665 108.800 0.231 0.000 2.357 563 G HA2 0.480 4.415 3.960 -0.041 0.000 0.643 563 G HA3 0.480 4.415 3.960 -0.041 0.000 0.643 563 G C 0.416 175.381 174.900 0.108 0.000 1.358 563 G CA -0.045 45.136 45.100 0.135 0.000 0.986 563 G HN 1.501 nan 8.290 nan 0.000 0.620 564 G N -1.336 107.456 108.800 -0.012 0.000 2.205 564 G HA2 0.218 4.154 3.960 -0.041 0.000 0.261 564 G HA3 0.218 4.154 3.960 -0.041 0.000 0.261 564 G C 1.196 175.992 174.900 -0.172 0.000 0.980 564 G CA 1.421 46.483 45.100 -0.064 0.000 0.632 564 G HN 2.552 nan 8.290 nan 0.000 0.533 565 A N -0.177 122.481 122.820 -0.270 0.000 2.346 565 A HA 0.824 5.119 4.320 -0.041 0.000 0.252 565 A C 1.876 179.152 177.584 -0.513 0.000 1.089 565 A CA 1.874 53.648 52.037 -0.438 0.000 0.797 565 A CB 0.128 18.692 19.000 -0.726 0.000 1.047 565 A HN 2.510 nan 8.150 nan 0.000 0.494 566 G N -0.893 107.481 108.800 -0.709 0.000 2.498 566 G HA2 -0.218 3.717 3.960 -0.041 0.000 0.245 566 G HA3 -0.218 3.717 3.960 -0.041 0.000 0.245 566 G C 0.842 174.754 174.900 -1.647 0.000 1.204 566 G CA 0.204 44.630 45.100 -1.123 0.000 0.933 566 G HN 1.158 nan 8.290 nan 0.000 0.574 567 L N 1.667 122.130 121.223 -1.267 0.000 2.034 567 L HA -0.137 4.178 4.340 -0.041 0.000 0.217 567 L C 0.316 176.822 176.870 -0.606 0.000 1.077 567 L CA 2.837 57.044 54.840 -1.055 0.000 0.769 567 L CB -1.395 39.793 42.059 -1.451 0.000 0.890 567 L HN 0.424 nan 8.230 nan 0.000 0.435 568 P HA -0.122 nan 4.420 nan 0.000 0.216 568 P C 1.694 178.903 177.300 -0.152 0.000 1.150 568 P CA 1.400 64.413 63.100 -0.145 0.000 0.837 568 P CB 0.100 31.732 31.700 -0.114 0.000 0.786 569 S N -1.981 113.539 115.700 -0.300 0.000 2.387 569 S HA -0.114 4.331 4.470 -0.041 0.000 0.226 569 S C 1.690 176.254 174.600 -0.059 0.000 1.026 569 S CA 0.964 59.051 58.200 -0.189 0.000 0.972 569 S CB -0.978 62.084 63.200 -0.231 0.000 0.814 569 S HN 0.109 nan 8.310 nan 0.000 0.477 570 Y N 1.695 121.915 120.300 -0.133 0.000 2.145 570 Y HA 0.031 4.556 4.550 -0.041 0.000 0.286 570 Y C 2.278 178.148 175.900 -0.049 0.000 1.145 570 Y CA -0.387 57.645 58.100 -0.113 0.000 1.148 570 Y CB -1.048 37.299 38.460 -0.188 0.000 0.981 570 Y HN 0.175 nan 8.280 nan 0.000 0.507 571 I N 0.176 120.821 120.570 0.124 0.000 2.423 571 I HA -0.258 3.887 4.170 -0.041 0.000 0.254 571 I C 2.391 178.560 176.117 0.087 0.000 1.151 571 I CA 1.407 62.784 61.300 0.129 0.000 1.421 571 I CB -1.594 36.523 38.000 0.195 0.000 1.079 571 I HN 0.164 nan 8.210 nan 0.000 0.431 572 A N 0.156 123.012 122.820 0.060 0.000 2.125 572 A HA -0.197 4.098 4.320 -0.041 0.000 0.219 572 A C 2.121 179.730 177.584 0.042 0.000 1.156 572 A CA 0.999 53.061 52.037 0.041 0.000 0.671 572 A CB -0.516 18.497 19.000 0.021 0.000 0.794 572 A HN 0.547 nan 8.150 nan 0.000 0.459 573 Q N -1.220 118.612 119.800 0.054 0.000 2.369 573 Q HA -0.067 4.249 4.340 -0.041 0.000 0.206 573 Q C 0.050 176.075 176.000 0.042 0.000 0.963 573 Q CA 0.410 56.240 55.803 0.044 0.000 0.894 573 Q CB -0.028 28.737 28.738 0.045 0.000 0.965 573 Q HN 0.586 nan 8.270 nan 0.000 0.475 574 D N 1.067 121.497 120.400 0.050 0.000 2.697 574 D HA -0.174 4.441 4.640 -0.041 0.000 0.235 574 D C -0.910 175.417 176.300 0.045 0.000 1.167 574 D CA 0.627 54.655 54.000 0.047 0.000 0.656 574 D CB -0.555 40.267 40.800 0.036 0.000 1.025 574 D HN 0.218 nan 8.370 nan 0.000 0.419 575 R N 0.380 120.910 120.500 0.051 0.000 2.577 575 R HA 0.361 4.676 4.340 -0.041 0.000 0.269 575 R C 0.213 176.544 176.300 0.052 0.000 1.084 575 R CA -0.637 55.491 56.100 0.046 0.000 1.163 575 R CB 0.439 30.765 30.300 0.044 0.000 1.100 575 R HN 0.169 nan 8.270 nan 0.000 0.547 576 D N 1.693 122.121 120.400 0.047 0.000 2.383 576 D HA 0.047 4.663 4.640 -0.041 0.000 0.252 576 D C 0.463 176.800 176.300 0.062 0.000 1.166 576 D CA -0.078 53.953 54.000 0.050 0.000 0.879 576 D CB 0.583 41.409 40.800 0.043 0.000 1.164 576 D HN 0.554 nan 8.370 nan 0.000 0.462 577 I N -0.214 120.397 120.570 0.069 0.000 4.102 577 I HA 0.344 4.490 4.170 -0.041 0.000 0.325 577 I C 0.091 176.254 176.117 0.078 0.000 1.471 577 I CA -0.506 60.843 61.300 0.082 0.000 1.133 577 I CB 0.502 38.561 38.000 0.098 0.000 1.184 577 I HN 0.089 nan 8.210 nan 0.000 0.451 578 D N 3.058 123.497 120.400 0.066 0.000 2.468 578 D HA 0.357 4.973 4.640 -0.041 0.000 0.218 578 D C 1.042 177.378 176.300 0.059 0.000 1.155 578 D CA 0.542 54.578 54.000 0.061 0.000 0.924 578 D CB 0.429 41.260 40.800 0.052 0.000 1.029 578 D HN 0.566 nan 8.370 nan 0.000 0.515 579 G N 3.255 112.094 108.800 0.066 0.000 2.370 579 G HA2 -0.173 3.763 3.960 -0.041 0.000 0.268 579 G HA3 -0.173 3.763 3.960 -0.041 0.000 0.268 579 G C -0.130 174.811 174.900 0.069 0.000 1.122 579 G CA -0.324 44.814 45.100 0.063 0.000 0.963 579 G HN 0.477 nan 8.290 nan 0.000 0.500 580 Q N -0.776 119.073 119.800 0.081 0.000 2.687 580 Q HA 0.382 4.698 4.340 -0.041 0.000 0.305 580 Q C -1.060 175.004 176.000 0.107 0.000 1.006 580 Q CA -0.919 54.934 55.803 0.084 0.000 0.763 580 Q CB 0.942 29.725 28.738 0.075 0.000 1.506 580 Q HN 0.236 nan 8.270 nan 0.000 0.459 581 D N 1.932 122.388 120.400 0.094 0.000 2.359 581 D HA 0.302 4.917 4.640 -0.041 0.000 0.250 581 D C -0.363 176.012 176.300 0.126 0.000 1.264 581 D CA 0.055 54.108 54.000 0.088 0.000 0.911 581 D CB -0.331 40.430 40.800 -0.065 0.000 1.056 581 D HN 0.427 nan 8.370 nan 0.000 0.499 582 I N -0.018 120.636 120.570 0.140 0.000 3.067 582 I HA 0.686 4.831 4.170 -0.041 0.000 0.312 582 I C -0.920 175.268 176.117 0.119 0.000 1.073 582 I CA -1.081 60.304 61.300 0.142 0.000 1.016 582 I CB 2.185 40.262 38.000 0.128 0.000 1.227 582 I HN -0.100 nan 8.210 nan 0.000 0.456 583 V N 3.446 123.428 119.914 0.114 0.000 2.638 583 V HA 0.418 4.514 4.120 -0.041 0.000 0.306 583 V C -0.197 175.885 176.094 -0.019 0.000 1.052 583 V CA -0.667 61.614 62.300 -0.031 0.000 0.885 583 V CB 1.865 33.610 31.823 -0.129 0.000 0.999 583 V HN 0.565 nan 8.190 nan 0.000 0.424 584 V N 3.657 123.493 119.914 -0.129 0.000 2.427 584 V HA 0.468 4.564 4.120 -0.041 0.000 0.286 584 V C -1.126 174.900 176.094 -0.114 0.000 1.034 584 V CA -0.458 61.838 62.300 -0.007 0.000 0.893 584 V CB 1.620 33.436 31.823 -0.012 0.000 0.982 584 V HN 0.917 nan 8.190 nan 0.000 0.452 585 W N 4.026 125.371 121.300 0.074 0.000 2.336 585 W HA 0.507 5.142 4.660 -0.041 0.000 0.315 585 W C -0.178 176.432 176.519 0.152 0.000 1.016 585 W CA -0.643 56.747 57.345 0.075 0.000 1.318 585 W CB 0.525 30.000 29.460 0.025 0.000 1.247 585 W HN 0.593 nan 8.180 nan 0.000 0.414 586 H N 1.684 120.830 119.070 0.126 0.000 2.504 586 H HA 0.510 5.042 4.556 -0.041 0.000 0.322 586 H C -0.333 175.164 175.328 0.281 0.000 1.055 586 H CA -0.229 55.852 56.048 0.055 0.000 1.231 586 H CB 1.002 30.581 29.762 -0.305 0.000 1.417 586 H HN 0.178 nan 8.280 nan 0.000 0.472 587 T N 7.268 121.796 114.554 -0.044 0.000 2.806 587 T HA 0.429 4.755 4.350 -0.041 0.000 0.290 587 T C -1.007 173.584 174.700 -0.181 0.000 0.966 587 T CA -0.231 61.877 62.100 0.013 0.000 1.060 587 T CB -0.279 68.698 68.868 0.181 0.000 0.927 587 T HN 0.497 nan 8.240 nan 0.000 0.485 588 F N -0.101 119.736 119.950 -0.188 0.000 2.628 588 F HA 0.847 5.350 4.527 -0.040 0.000 0.309 588 F C -0.262 175.627 175.800 0.149 0.000 1.108 588 F CA -1.155 56.797 58.000 -0.080 0.000 0.971 588 F CB 1.059 39.991 39.000 -0.114 0.000 1.279 588 F HN 0.811 nan 8.300 nan 0.000 0.441 589 G N 1.588 110.490 108.800 0.170 0.000 2.550 589 G HA2 0.576 4.511 3.960 -0.041 0.000 0.293 589 G HA3 0.576 4.511 3.960 -0.041 0.000 0.293 589 G C -2.502 172.494 174.900 0.159 0.000 1.402 589 G CA -1.123 44.075 45.100 0.164 0.000 0.784 589 G HN 0.834 nan 8.290 nan 0.000 0.482 590 L N 0.373 121.686 121.223 0.151 0.000 2.325 590 L HA 0.602 4.918 4.340 -0.041 0.000 0.278 590 L C -0.100 176.754 176.870 -0.027 0.000 1.023 590 L CA -0.715 54.178 54.840 0.088 0.000 0.811 590 L CB 2.354 44.485 42.059 0.120 0.000 1.249 590 L HN 0.436 nan 8.230 nan 0.000 0.431 591 T N 0.766 115.254 114.554 -0.111 0.000 2.756 591 T HA 0.237 4.563 4.350 -0.041 0.000 0.290 591 T C -0.647 173.803 174.700 -0.416 0.000 0.985 591 T CA -0.243 61.669 62.100 -0.313 0.000 0.955 591 T CB 0.110 68.807 68.868 -0.286 0.000 0.930 591 T HN 0.418 nan 8.240 nan 0.000 0.451 592 H N 3.105 121.744 119.070 -0.719 0.000 2.541 592 H HA 0.395 4.927 4.556 -0.040 0.000 0.316 592 H C -1.125 173.721 175.328 -0.803 0.000 1.043 592 H CA -1.074 54.581 56.048 -0.654 0.000 1.232 592 H CB 0.367 29.782 29.762 -0.580 0.000 1.406 592 H HN 0.438 nan 8.280 nan 0.000 0.469 593 F N 6.541 126.429 119.950 -0.104 0.000 2.310 593 F HA 0.277 4.779 4.527 -0.042 0.000 0.365 593 F C -2.069 173.705 175.800 -0.044 0.000 1.080 593 F CA -2.612 55.182 58.000 -0.343 0.000 1.187 593 F CB 0.745 39.430 39.000 -0.525 0.000 1.465 593 F HN 0.518 nan 8.300 nan 0.000 0.496 594 P HA -0.005 nan 4.420 nan 0.000 0.263 594 P C -0.265 177.148 177.300 0.188 0.000 1.168 594 P CA 0.423 63.532 63.100 0.015 0.000 0.759 594 P CB 0.581 32.258 31.700 -0.037 0.000 0.782 595 R N 1.747 122.380 120.500 0.222 0.000 2.758 595 R HA 0.356 4.672 4.340 -0.041 0.000 0.265 595 R C 1.176 177.568 176.300 0.154 0.000 1.016 595 R CA -1.029 55.169 56.100 0.163 0.000 1.040 595 R CB 0.430 30.819 30.300 0.150 0.000 1.152 595 R HN 0.099 nan 8.270 nan 0.000 0.503 596 V N 1.289 121.270 119.914 0.111 0.000 2.490 596 V HA -0.213 3.882 4.120 -0.041 0.000 0.250 596 V C 1.443 177.637 176.094 0.166 0.000 1.061 596 V CA 1.845 64.217 62.300 0.121 0.000 1.064 596 V CB -0.547 31.319 31.823 0.072 0.000 0.670 596 V HN 0.697 nan 8.190 nan 0.000 0.461 597 E N 0.090 120.369 120.200 0.130 0.000 2.333 597 E HA -0.166 4.159 4.350 -0.041 0.000 0.198 597 E C 1.615 178.294 176.600 0.131 0.000 1.007 597 E CA 0.897 57.365 56.400 0.113 0.000 0.845 597 E CB -0.243 29.505 29.700 0.080 0.000 0.766 597 E HN 0.590 nan 8.360 nan 0.000 0.507 598 D N -1.005 119.511 120.400 0.193 0.000 2.355 598 D HA -0.068 4.548 4.640 -0.041 0.000 0.218 598 D C -0.171 176.280 176.300 0.252 0.000 1.004 598 D CA 0.282 54.411 54.000 0.215 0.000 0.880 598 D CB 0.101 41.087 40.800 0.310 0.000 0.911 598 D HN 0.222 nan 8.370 nan 0.000 0.528 599 W N 2.393 123.727 121.300 0.057 0.000 2.551 599 W HA 0.206 4.840 4.660 -0.044 0.000 0.330 599 W C -1.877 174.674 176.519 0.053 0.000 1.063 599 W CA -1.985 55.392 57.345 0.054 0.000 1.222 599 W CB 2.057 31.546 29.460 0.049 0.000 1.349 599 W HN -0.194 nan 8.180 nan 0.000 0.536 600 P HA 0.082 nan 4.420 nan 0.000 0.231 600 P C 0.016 176.876 177.300 -0.733 0.000 1.168 600 P CA 0.857 63.040 63.100 -1.529 0.000 0.779 600 P CB 1.444 32.532 31.700 -1.020 0.000 0.844 601 I N 0.494 120.818 120.570 -0.410 0.000 2.569 601 I HA 0.302 4.448 4.170 -0.041 0.000 0.290 601 I C -0.436 175.554 176.117 -0.212 0.000 1.088 601 I CA -1.876 59.179 61.300 -0.408 0.000 1.047 601 I CB 2.316 39.828 38.000 -0.813 0.000 1.237 601 I HN -0.253 nan 8.210 nan 0.000 0.421 602 M N 7.947 127.472 119.600 -0.125 0.000 2.216 602 M HA 0.633 5.088 4.480 -0.041 0.000 0.356 602 M C -2.631 173.635 176.300 -0.057 0.000 1.205 602 M CA -1.305 53.977 55.300 -0.030 0.000 1.122 602 M CB 0.619 33.259 32.600 0.066 0.000 1.571 602 M HN 0.195 nan 8.290 nan 0.000 0.464 603 P HA 0.137 nan 4.420 nan 0.000 0.271 603 P C -0.609 176.672 177.300 -0.032 0.000 1.218 603 P CA -0.468 62.610 63.100 -0.037 0.000 0.780 603 P CB 0.722 32.410 31.700 -0.020 0.000 0.901 604 V N 3.092 122.989 119.914 -0.028 0.000 2.694 604 V HA -0.019 4.076 4.120 -0.041 0.000 0.306 604 V C 0.582 176.651 176.094 -0.042 0.000 1.054 604 V CA 1.101 63.388 62.300 -0.020 0.000 1.161 604 V CB 0.146 31.972 31.823 0.004 0.000 0.916 604 V HN 0.604 nan 8.190 nan 0.000 0.490 605 D N 2.086 122.449 120.400 -0.061 0.000 2.527 605 D HA 0.696 5.312 4.640 -0.041 0.000 0.233 605 D C -0.319 175.939 176.300 -0.069 0.000 1.063 605 D CA -0.194 53.763 54.000 -0.071 0.000 0.880 605 D CB 2.330 43.061 40.800 -0.115 0.000 1.457 605 D HN 0.734 nan 8.370 nan 0.000 0.475 606 T N -1.344 113.178 114.554 -0.053 0.000 2.901 606 T HA 0.775 5.100 4.350 -0.041 0.000 0.293 606 T C -0.963 173.744 174.700 0.011 0.000 1.084 606 T CA -0.817 61.246 62.100 -0.062 0.000 1.008 606 T CB 1.524 70.341 68.868 -0.084 0.000 1.170 606 T HN 0.266 nan 8.240 nan 0.000 0.509 607 V N -0.268 119.641 119.914 -0.008 0.000 3.147 607 V HA 0.865 4.960 4.120 -0.041 0.000 0.299 607 V C -0.226 175.844 176.094 -0.040 0.000 1.302 607 V CA 0.547 62.921 62.300 0.124 0.000 1.015 607 V CB 1.682 33.621 31.823 0.194 0.000 1.086 607 V HN 1.676 nan 8.190 nan 0.000 0.437 608 G N 3.024 111.639 108.800 -0.309 0.000 2.450 608 G HA2 0.745 4.680 3.960 -0.041 0.000 0.273 608 G HA3 0.745 4.680 3.960 -0.041 0.000 0.273 608 G C -1.414 172.894 174.900 -0.986 0.000 1.221 608 G CA 0.223 44.939 45.100 -0.641 0.000 0.900 608 G HN 1.935 nan 8.290 nan 0.000 0.483 609 F N -1.049 118.509 119.950 -0.652 0.000 2.842 609 F HA 0.839 5.341 4.527 -0.041 0.000 0.319 609 F C -1.155 174.605 175.800 -0.065 0.000 1.159 609 F CA -0.958 56.841 58.000 -0.335 0.000 0.902 609 F CB 1.385 40.202 39.000 -0.305 0.000 1.311 609 F HN 0.845 nan 8.300 nan 0.000 0.453 610 K N 0.869 121.427 120.400 0.263 0.000 2.555 610 K HA 0.828 5.123 4.320 -0.041 0.000 0.279 610 K C -2.501 174.335 176.600 0.394 0.000 0.986 610 K CA -1.054 55.367 56.287 0.222 0.000 0.880 610 K CB 2.590 35.179 32.500 0.147 0.000 1.474 610 K HN 0.730 nan 8.250 nan 0.000 0.433 611 L N 1.452 122.908 121.223 0.388 0.000 2.381 611 L HA 0.565 4.880 4.340 -0.041 0.000 0.274 611 L C -0.656 176.484 176.870 0.451 0.000 0.988 611 L CA -0.523 54.581 54.840 0.440 0.000 0.824 611 L CB 2.081 44.417 42.059 0.462 0.000 1.263 611 L HN 0.581 nan 8.230 nan 0.000 0.410 612 R N 3.245 123.932 120.500 0.313 0.000 2.711 612 R HA 0.572 4.888 4.340 -0.041 0.000 0.284 612 R C -2.548 173.521 176.300 -0.385 0.000 0.968 612 R CA -1.899 54.251 56.100 0.084 0.000 0.924 612 R CB 1.579 31.946 30.300 0.111 0.000 1.162 612 R HN 0.309 nan 8.270 nan 0.000 0.465 613 P HA -0.037 nan 4.420 nan 0.000 0.268 613 P C -0.773 176.312 177.300 -0.358 0.000 1.205 613 P CA 0.161 62.634 63.100 -1.046 0.000 0.771 613 P CB 0.815 32.233 31.700 -0.470 0.000 0.858 614 E N 1.973 122.024 120.200 -0.247 0.000 2.675 614 E HA 0.434 4.760 4.350 -0.041 0.000 0.236 614 E C 0.650 177.250 176.600 -0.001 0.000 1.059 614 E CA -0.431 55.932 56.400 -0.063 0.000 0.775 614 E CB -0.583 29.099 29.700 -0.030 0.000 1.356 614 E HN 0.676 nan 8.360 nan 0.000 0.403 615 G N 3.408 112.219 108.800 0.018 0.000 2.176 615 G HA2 -0.359 3.577 3.960 -0.041 0.000 0.252 615 G HA3 -0.359 3.577 3.960 -0.041 0.000 0.252 615 G C 0.472 175.380 174.900 0.012 0.000 1.024 615 G CA 0.441 45.554 45.100 0.022 0.000 0.755 615 G HN 0.536 nan 8.290 nan 0.000 0.507 616 F N 0.001 119.837 119.950 -0.190 0.000 2.187 616 F HA 0.479 4.982 4.527 -0.041 0.000 0.295 616 F C 1.331 176.858 175.800 -0.456 0.000 1.091 616 F CA 0.476 58.265 58.000 -0.350 0.000 1.308 616 F CB 0.054 38.735 39.000 -0.532 0.000 1.030 616 F HN 0.126 nan 8.300 nan 0.000 0.487 617 F N 0.322 120.281 119.950 0.015 0.000 2.411 617 F HA 0.235 4.737 4.527 -0.041 0.000 0.324 617 F C 1.356 177.114 175.800 -0.070 0.000 1.086 617 F CA -0.789 57.170 58.000 -0.069 0.000 1.028 617 F CB 0.327 39.301 39.000 -0.043 0.000 1.284 617 F HN -0.286 nan 8.300 nan 0.000 0.501 618 D N -0.033 120.456 120.400 0.147 0.000 2.349 618 D HA 0.083 4.698 4.640 -0.041 0.000 0.215 618 D C 0.300 176.632 176.300 0.054 0.000 1.016 618 D CA 0.543 54.578 54.000 0.058 0.000 0.870 618 D CB 0.275 41.092 40.800 0.028 0.000 0.917 618 D HN 0.511 nan 8.370 nan 0.000 0.524 619 R N -2.092 118.455 120.500 0.078 0.000 2.888 619 R HA 0.203 4.518 4.340 -0.041 0.000 0.277 619 R C -0.781 175.517 176.300 -0.003 0.000 0.981 619 R CA -0.756 55.360 56.100 0.027 0.000 0.841 619 R CB 0.320 30.622 30.300 0.003 0.000 1.405 619 R HN -0.166 nan 8.270 nan 0.000 0.472 620 S N 1.035 116.711 115.700 -0.041 0.000 2.563 620 S HA 0.107 4.553 4.470 -0.041 0.000 0.294 620 S C -1.306 173.185 174.600 -0.182 0.000 1.279 620 S CA -0.751 57.392 58.200 -0.095 0.000 1.069 620 S CB 0.460 63.626 63.200 -0.058 0.000 0.828 620 S HN 0.511 nan 8.310 nan 0.000 0.497 621 P HA 0.125 nan 4.420 nan 0.000 0.257 621 P C 0.418 177.598 177.300 -0.200 0.000 1.281 621 P CA 0.159 62.961 63.100 -0.497 0.000 0.826 621 P CB -0.176 30.712 31.700 -1.355 0.000 1.237 622 V N -3.906 115.946 119.914 -0.104 0.000 2.988 622 V HA 0.260 4.355 4.120 -0.041 0.000 0.356 622 V C 1.433 177.547 176.094 0.033 0.000 1.380 622 V CA -0.140 62.154 62.300 -0.010 0.000 1.184 622 V CB -0.686 31.158 31.823 0.035 0.000 1.204 622 V HN -0.134 nan 8.190 nan 0.000 0.530 623 L N 1.037 122.269 121.223 0.015 0.000 2.395 623 L HA 0.062 4.378 4.340 -0.041 0.000 0.218 623 L C 2.063 178.971 176.870 0.063 0.000 1.130 623 L CA 1.330 56.201 54.840 0.052 0.000 0.826 623 L CB -0.209 41.858 42.059 0.014 0.000 0.941 623 L HN 0.558 nan 8.230 nan 0.000 0.451 624 D N -0.546 119.872 120.400 0.030 0.000 2.328 624 D HA -0.004 4.612 4.640 -0.041 0.000 0.221 624 D C 0.591 176.899 176.300 0.014 0.000 1.072 624 D CA 0.024 54.036 54.000 0.021 0.000 0.850 624 D CB -0.178 40.623 40.800 0.002 0.000 0.922 624 D HN 0.002 nan 8.370 nan 0.000 0.516 625 V N 3.224 123.154 119.914 0.027 0.000 2.555 625 V HA 0.185 4.280 4.120 -0.041 0.000 0.286 625 V C -1.615 174.481 176.094 0.004 0.000 1.044 625 V CA -1.154 61.152 62.300 0.010 0.000 1.026 625 V CB 0.967 32.805 31.823 0.024 0.000 0.981 625 V HN 0.162 nan 8.190 nan 0.000 0.480 626 P HA 0.182 nan 4.420 nan 0.000 0.274 626 P C 0.454 177.723 177.300 -0.052 0.000 1.237 626 P CA -0.231 62.856 63.100 -0.022 0.000 0.793 626 P CB 1.266 32.956 31.700 -0.017 0.000 0.977 627 A N 1.953 124.733 122.820 -0.067 0.000 1.933 627 A HA -0.137 4.159 4.320 -0.041 0.000 0.218 627 A C 0.871 178.414 177.584 -0.069 0.000 1.175 627 A CA 1.096 53.071 52.037 -0.104 0.000 0.628 627 A CB -1.079 17.866 19.000 -0.092 0.000 0.814 627 A HN 0.747 nan 8.150 nan 0.000 0.444 628 N N 0.000 118.676 118.700 -0.039 0.000 1.763 628 N HA 0.000 4.715 4.740 -0.041 0.000 0.220 628 N CA 0.000 53.037 53.050 -0.022 0.000 0.885 628 N CB 0.000 38.480 38.487 -0.011 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667