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 2yx9_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 PIRSWQNYFK 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 0.000 177.577 177.584 -0.011 0.000 1.274 9 A CA 0.000 52.034 52.037 -0.006 0.000 0.836 9 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 10 S N 0.851 116.552 115.700 0.003 0.000 2.548 10 S HA 0.447 4.898 4.470 -0.031 0.000 0.277 10 S C -1.369 173.205 174.600 -0.043 0.000 1.315 10 S CA -0.737 57.476 58.200 0.021 0.000 1.050 10 S CB 0.758 64.009 63.200 0.085 0.000 0.918 10 S HN 0.182 nan 8.310 nan 0.000 0.497 11 P HA 0.091 nan 4.420 nan 0.000 0.234 11 P C -0.082 176.846 177.300 -0.620 0.000 1.167 11 P CA 0.770 63.630 63.100 -0.400 0.000 0.763 11 P CB 0.029 31.404 31.700 -0.542 0.000 0.835 12 F N -0.596 119.280 119.950 -0.124 0.000 2.653 12 F HA 0.189 4.697 4.527 -0.032 0.000 0.304 12 F C 1.358 177.087 175.800 -0.119 0.000 1.092 12 F CA -0.711 57.168 58.000 -0.202 0.000 1.279 12 F CB -0.263 38.598 39.000 -0.232 0.000 1.044 12 F HN -0.188 nan 8.300 nan 0.000 0.564 13 R N 0.821 121.345 120.500 0.040 0.000 2.734 13 R HA 0.260 4.581 4.340 -0.031 0.000 0.266 13 R C -0.162 176.159 176.300 0.035 0.000 1.044 13 R CA -0.424 55.706 56.100 0.052 0.000 1.128 13 R CB 0.439 30.760 30.300 0.034 0.000 1.010 13 R HN 0.152 nan 8.270 nan 0.000 0.461 14 L N 1.503 122.761 121.223 0.058 0.000 2.467 14 L HA 0.172 4.493 4.340 -0.031 0.000 0.270 14 L C 0.764 177.673 176.870 0.066 0.000 1.205 14 L CA -0.305 54.573 54.840 0.064 0.000 0.828 14 L CB 0.564 42.662 42.059 0.064 0.000 1.101 14 L HN 0.845 nan 8.230 nan 0.000 0.479 15 A N 2.091 124.966 122.820 0.092 0.000 2.462 15 A HA 0.376 4.677 4.320 -0.031 0.000 0.243 15 A C 0.333 177.985 177.584 0.113 0.000 1.076 15 A CA -0.256 51.877 52.037 0.159 0.000 0.773 15 A CB 0.229 19.391 19.000 0.270 0.000 1.010 15 A HN 0.756 nan 8.150 nan 0.000 0.493 16 S N 1.439 117.200 115.700 0.101 0.000 2.672 16 S HA 0.570 5.022 4.470 -0.031 0.000 0.276 16 S C 1.175 175.792 174.600 0.028 0.000 1.207 16 S CA -0.166 58.064 58.200 0.051 0.000 1.002 16 S CB 1.461 64.683 63.200 0.037 0.000 0.998 16 S HN 1.566 nan 8.310 nan 0.000 0.542 17 A N 1.867 124.692 122.820 0.009 0.000 1.933 17 A HA 0.128 4.430 4.320 -0.031 0.000 0.218 17 A C 2.136 179.702 177.584 -0.030 0.000 1.175 17 A CA 1.712 53.744 52.037 -0.009 0.000 0.628 17 A CB -1.765 17.231 19.000 -0.007 0.000 0.814 17 A HN 1.171 nan 8.150 nan 0.000 0.444 18 G N -0.575 108.211 108.800 -0.024 0.000 2.422 18 G HA2 -0.211 3.730 3.960 -0.031 0.000 0.218 18 G HA3 -0.211 3.730 3.960 -0.031 0.000 0.218 18 G C 1.419 176.273 174.900 -0.075 0.000 1.146 18 G CA 0.956 46.033 45.100 -0.039 0.000 0.769 18 G HN 0.657 nan 8.290 nan 0.000 0.547 19 E N -0.104 120.050 120.200 -0.076 0.000 2.110 19 E HA -0.061 4.270 4.350 -0.031 0.000 0.193 19 E C 2.486 178.857 176.600 -0.381 0.000 0.988 19 E CA 0.548 56.845 56.400 -0.172 0.000 0.804 19 E CB -0.120 29.561 29.700 -0.031 0.000 0.745 19 E HN 0.504 nan 8.360 nan 0.000 0.458 20 I N 0.576 120.982 120.570 -0.274 0.000 2.252 20 I HA -0.221 3.930 4.170 -0.031 0.000 0.245 20 I C 2.342 178.334 176.117 -0.208 0.000 1.102 20 I CA 0.688 61.815 61.300 -0.289 0.000 1.385 20 I CB -0.120 37.800 38.000 -0.132 0.000 1.064 20 I HN -0.023 nan 8.210 nan 0.000 0.414 21 S N 0.172 115.791 115.700 -0.134 0.000 2.399 21 S HA -0.208 4.243 4.470 -0.031 0.000 0.231 21 S C 1.886 176.422 174.600 -0.106 0.000 1.022 21 S CA 1.315 59.460 58.200 -0.092 0.000 0.983 21 S CB -0.189 62.976 63.200 -0.059 0.000 0.803 21 S HN 0.372 nan 8.310 nan 0.000 0.480 22 E N 1.186 121.302 120.200 -0.140 0.000 2.072 22 E HA -0.066 4.265 4.350 -0.031 0.000 0.191 22 E C 1.895 178.403 176.600 -0.153 0.000 0.985 22 E CA 0.837 57.160 56.400 -0.129 0.000 0.801 22 E CB -0.302 29.320 29.700 -0.130 0.000 0.750 22 E HN 0.241 nan 8.360 nan 0.000 0.452 23 V N 0.901 120.665 119.914 -0.250 0.000 2.295 23 V HA -0.288 3.813 4.120 -0.031 0.000 0.246 23 V C 2.573 178.593 176.094 -0.122 0.000 1.049 23 V CA 2.248 64.410 62.300 -0.230 0.000 1.024 23 V CB -0.649 30.951 31.823 -0.371 0.000 0.648 23 V HN 0.412 nan 8.190 nan 0.000 0.447 24 Q N 0.152 119.887 119.800 -0.109 0.000 2.061 24 Q HA -0.196 4.125 4.340 -0.031 0.000 0.204 24 Q C 2.246 178.226 176.000 -0.034 0.000 0.984 24 Q CA 2.225 57.998 55.803 -0.050 0.000 0.846 24 Q CB -0.525 28.192 28.738 -0.034 0.000 0.902 24 Q HN 0.646 nan 8.270 nan 0.000 0.421 25 G N 0.949 109.722 108.800 -0.045 0.000 2.418 25 G HA2 -0.226 3.716 3.960 -0.031 0.000 0.217 25 G HA3 -0.226 3.716 3.960 -0.031 0.000 0.217 25 G C 1.414 176.299 174.900 -0.025 0.000 1.158 25 G CA 0.903 45.984 45.100 -0.031 0.000 0.771 25 G HN 0.381 nan 8.290 nan 0.000 0.545 26 I N 0.324 120.873 120.570 -0.035 0.000 2.226 26 I HA -0.131 4.020 4.170 -0.031 0.000 0.245 26 I C 2.715 178.826 176.117 -0.010 0.000 1.100 26 I CA 0.694 61.980 61.300 -0.022 0.000 1.374 26 I CB -0.210 37.773 38.000 -0.028 0.000 1.057 26 I HN 0.134 nan 8.210 nan 0.000 0.413 27 L N 0.070 121.287 121.223 -0.010 0.000 2.027 27 L HA -0.187 4.135 4.340 -0.031 0.000 0.206 27 L C 2.797 179.672 176.870 0.008 0.000 1.074 27 L CA 1.390 56.233 54.840 0.005 0.000 0.745 27 L CB -0.601 41.463 42.059 0.009 0.000 0.898 27 L HN 0.152 nan 8.230 nan 0.000 0.433 28 R N -0.551 119.953 120.500 0.005 0.000 2.083 28 R HA -0.141 4.180 4.340 -0.031 0.000 0.237 28 R C 2.285 178.588 176.300 0.005 0.000 1.137 28 R CA 1.991 58.096 56.100 0.009 0.000 0.951 28 R CB -0.663 29.641 30.300 0.007 0.000 0.851 28 R HN 0.310 nan 8.270 nan 0.000 0.434 29 T N 0.591 115.145 114.554 -0.000 0.000 2.833 29 T HA -0.097 4.235 4.350 -0.031 0.000 0.269 29 T C 1.680 176.381 174.700 0.002 0.000 1.054 29 T CA 1.315 63.415 62.100 -0.001 0.000 1.135 29 T CB -0.091 68.775 68.868 -0.004 0.000 0.869 29 T HN 0.359 nan 8.240 nan 0.000 0.466 30 A N 0.366 123.188 122.820 0.004 0.000 2.235 30 A HA 0.489 4.790 4.320 -0.031 0.000 0.208 30 A C 1.885 179.474 177.584 0.008 0.000 1.172 30 A CA 0.798 52.839 52.037 0.007 0.000 0.786 30 A CB -0.767 18.239 19.000 0.011 0.000 0.804 30 A HN 0.717 nan 8.150 nan 0.000 0.479 31 G N -1.181 107.624 108.800 0.008 0.000 2.147 31 G HA2 -0.229 3.712 3.960 -0.031 0.000 0.244 31 G HA3 -0.229 3.712 3.960 -0.031 0.000 0.244 31 G C 0.464 175.370 174.900 0.010 0.000 1.005 31 G CA 0.465 45.570 45.100 0.008 0.000 0.713 31 G HN 0.539 nan 8.290 nan 0.000 0.515 32 L N -1.229 120.003 121.223 0.015 0.000 2.640 32 L HA 0.464 4.785 4.340 -0.031 0.000 0.230 32 L C 1.094 177.978 176.870 0.023 0.000 1.123 32 L CA -0.018 54.834 54.840 0.019 0.000 0.900 32 L CB 0.549 42.623 42.059 0.026 0.000 1.146 32 L HN 0.182 nan 8.230 nan 0.000 0.484 33 L N 0.591 121.830 121.223 0.025 0.000 2.913 33 L HA 0.489 4.811 4.340 -0.031 0.000 0.283 33 L C 0.790 177.687 176.870 0.044 0.000 1.336 33 L CA -0.190 54.673 54.840 0.038 0.000 0.815 33 L CB 0.384 42.469 42.059 0.044 0.000 1.188 33 L HN -0.027 nan 8.230 nan 0.000 0.551 34 G N 0.369 109.188 108.800 0.031 0.000 2.683 34 G HA2 0.252 4.193 3.960 -0.031 0.000 0.260 34 G HA3 0.252 4.193 3.960 -0.031 0.000 0.260 34 G C -1.608 173.323 174.900 0.051 0.000 1.238 34 G CA -0.684 44.434 45.100 0.029 0.000 0.934 34 G HN 0.335 nan 8.290 nan 0.000 0.534 35 P HA -0.118 nan 4.420 nan 0.000 0.217 35 P C 1.593 178.944 177.300 0.085 0.000 1.148 35 P CA 1.489 64.628 63.100 0.064 0.000 0.828 35 P CB 0.241 31.960 31.700 0.031 0.000 0.783 36 E N -1.344 118.878 120.200 0.038 0.000 2.474 36 E HA 0.009 4.341 4.350 -0.031 0.000 0.194 36 E C 0.254 176.836 176.600 -0.030 0.000 1.041 36 E CA 0.585 56.988 56.400 0.005 0.000 0.874 36 E CB -0.269 29.412 29.700 -0.032 0.000 0.914 36 E HN 0.132 nan 8.360 nan 0.000 0.498 37 K N 1.622 122.023 120.400 0.002 0.000 2.185 37 K HA 0.364 4.665 4.320 -0.031 0.000 0.271 37 K C 0.282 176.868 176.600 -0.024 0.000 1.013 37 K CA -0.448 55.825 56.287 -0.022 0.000 0.943 37 K CB 1.165 33.670 32.500 0.008 0.000 0.998 37 K HN -0.041 nan 8.250 nan 0.000 0.468 38 R N 1.647 122.119 120.500 -0.046 0.000 2.604 38 R HA 0.435 4.757 4.340 -0.031 0.000 0.281 38 R C -0.211 176.076 176.300 -0.021 0.000 1.020 38 R CA -0.705 55.329 56.100 -0.110 0.000 0.899 38 R CB 1.300 31.553 30.300 -0.078 0.000 1.205 38 R HN 0.573 nan 8.270 nan 0.000 0.450 39 I N 2.286 122.815 120.570 -0.069 0.000 2.322 39 I HA 0.121 4.272 4.170 -0.031 0.000 0.292 39 I C 1.269 177.402 176.117 0.027 0.000 1.060 39 I CA 0.026 61.329 61.300 0.004 0.000 1.309 39 I CB 1.514 39.496 38.000 -0.029 0.000 1.415 39 I HN 0.722 nan 8.210 nan 0.000 0.492 40 A N 6.680 129.579 122.820 0.132 0.000 2.132 40 A HA 0.042 4.343 4.320 -0.031 0.000 0.213 40 A C 0.264 177.987 177.584 0.232 0.000 1.154 40 A CA 0.750 52.884 52.037 0.162 0.000 0.753 40 A CB 0.217 19.345 19.000 0.212 0.000 0.826 40 A HN 0.683 nan 8.150 nan 0.000 0.469 41 Y N -1.999 118.332 120.300 0.052 0.000 2.521 41 Y HA 0.556 5.087 4.550 -0.032 0.000 0.328 41 Y C -1.891 173.918 175.900 -0.152 0.000 1.151 41 Y CA -1.205 56.831 58.100 -0.106 0.000 1.054 41 Y CB 1.174 39.434 38.460 -0.332 0.000 1.338 41 Y HN 0.139 nan 8.280 nan 0.000 0.453 42 L N 5.297 125.807 121.223 -1.188 0.000 2.562 42 L HA 0.932 5.253 4.340 -0.031 0.000 0.266 42 L C -1.285 175.080 176.870 -0.842 0.000 0.949 42 L CA -0.155 54.220 54.840 -0.775 0.000 0.879 42 L CB 1.921 43.813 42.059 -0.277 0.000 1.278 42 L HN 0.954 nan 8.230 nan 0.000 0.404 43 G N 2.853 111.325 108.800 -0.547 0.000 2.720 43 G HA2 0.474 4.415 3.960 -0.031 0.000 0.295 43 G HA3 0.474 4.415 3.960 -0.031 0.000 0.295 43 G C -1.892 172.848 174.900 -0.267 0.000 1.437 43 G CA -0.556 44.380 45.100 -0.274 0.000 0.886 43 G HN 0.480 nan 8.290 nan 0.000 0.509 44 V N 1.605 121.195 119.914 -0.541 0.000 2.686 44 V HA 0.527 4.628 4.120 -0.031 0.000 0.295 44 V C 0.232 176.078 176.094 -0.415 0.000 1.055 44 V CA -0.449 61.275 62.300 -0.960 0.000 1.050 44 V CB 0.780 32.003 31.823 -1.000 0.000 0.984 44 V HN 0.563 nan 8.190 nan 0.000 0.482 45 L N 5.602 126.614 121.223 -0.351 0.000 2.350 45 L HA 0.419 4.740 4.340 -0.031 0.000 0.275 45 L C 0.107 176.869 176.870 -0.181 0.000 1.099 45 L CA -0.592 54.144 54.840 -0.173 0.000 0.808 45 L CB 0.889 42.883 42.059 -0.109 0.000 1.149 45 L HN 0.613 nan 8.230 nan 0.000 0.442 46 D N 2.839 123.178 120.400 -0.102 0.000 2.357 46 D HA 0.211 4.832 4.640 -0.031 0.000 0.242 46 D C -2.025 174.193 176.300 -0.136 0.000 1.153 46 D CA -0.934 53.000 54.000 -0.109 0.000 0.918 46 D CB 0.348 41.186 40.800 0.063 0.000 1.181 46 D HN 0.252 nan 8.370 nan 0.000 0.435 47 P HA 0.194 nan 4.420 nan 0.000 0.268 47 P C -0.792 176.473 177.300 -0.059 0.000 1.205 47 P CA -0.146 62.844 63.100 -0.184 0.000 0.771 47 P CB 0.535 32.057 31.700 -0.296 0.000 0.858 48 A N 3.424 126.217 122.820 -0.045 0.000 2.366 48 A HA 0.237 4.539 4.320 -0.031 0.000 0.249 48 A C 0.415 177.983 177.584 -0.026 0.000 1.084 48 A CA -0.373 51.657 52.037 -0.012 0.000 0.794 48 A CB 0.144 19.138 19.000 -0.010 0.000 1.034 48 A HN 0.394 nan 8.150 nan 0.000 0.491 49 R N 0.273 120.742 120.500 -0.050 0.000 2.502 49 R HA 0.302 4.623 4.340 -0.031 0.000 0.292 49 R C 1.230 177.495 176.300 -0.059 0.000 0.998 49 R CA 1.468 57.493 56.100 -0.126 0.000 1.056 49 R CB -0.466 29.703 30.300 -0.220 0.000 0.939 49 R HN 1.504 nan 8.270 nan 0.000 0.411 50 G N 1.820 110.604 108.800 -0.025 0.000 2.780 50 G HA2 -0.233 3.708 3.960 -0.031 0.000 0.237 50 G HA3 -0.233 3.708 3.960 -0.031 0.000 0.237 50 G C 0.254 175.167 174.900 0.021 0.000 1.965 50 G CA 0.178 45.281 45.100 0.005 0.000 1.577 50 G HN 1.120 nan 8.290 nan 0.000 0.543 51 A N -0.076 122.747 122.820 0.004 0.000 2.790 51 A HA 0.054 4.355 4.320 -0.031 0.000 0.277 51 A C 2.914 180.504 177.584 0.009 0.000 1.435 51 A CA 2.319 54.356 52.037 -0.001 0.000 0.877 51 A CB -1.813 17.185 19.000 -0.003 0.000 1.007 51 A HN 2.609 nan 8.150 nan 0.000 0.613 52 G N -0.767 108.041 108.800 0.014 0.000 2.513 52 G HA2 -0.002 3.939 3.960 -0.031 0.000 0.219 52 G HA3 -0.002 3.939 3.960 -0.031 0.000 0.219 52 G C 0.854 175.759 174.900 0.008 0.000 1.160 52 G CA 1.229 46.339 45.100 0.016 0.000 0.767 52 G HN 1.215 nan 8.290 nan 0.000 0.571 53 S N 0.926 116.628 115.700 0.002 0.000 2.835 53 S HA 0.254 4.705 4.470 -0.031 0.000 0.286 53 S C 0.094 174.690 174.600 -0.008 0.000 1.194 53 S CA -0.438 57.761 58.200 -0.002 0.000 1.031 53 S CB 1.010 64.209 63.200 -0.002 0.000 1.216 53 S HN 0.532 nan 8.310 nan 0.000 0.502 54 E N 3.050 123.244 120.200 -0.009 0.000 2.395 54 E HA -0.059 4.272 4.350 -0.031 0.000 0.237 54 E C 0.233 176.820 176.600 -0.022 0.000 1.254 54 E CA -0.319 56.069 56.400 -0.020 0.000 0.965 54 E CB -0.135 29.554 29.700 -0.018 0.000 1.068 54 E HN 0.646 nan 8.360 nan 0.000 0.471 55 A N 5.073 127.878 122.820 -0.024 0.000 3.118 55 A HA 0.054 4.355 4.320 -0.031 0.000 0.256 55 A C 0.251 177.818 177.584 -0.028 0.000 1.667 55 A CA -0.415 51.609 52.037 -0.021 0.000 1.338 55 A CB -0.159 18.830 19.000 -0.017 0.000 1.127 55 A HN 0.687 nan 8.150 nan 0.000 0.634 56 E N 1.094 121.274 120.200 -0.032 0.000 3.587 56 E HA -0.147 4.185 4.350 -0.031 0.000 0.235 56 E C -0.680 175.902 176.600 -0.029 0.000 0.912 56 E CA 0.997 57.374 56.400 -0.038 0.000 0.933 56 E CB -0.421 29.262 29.700 -0.028 0.000 0.865 56 E HN 0.490 nan 8.360 nan 0.000 0.567 57 D N 3.985 124.361 120.400 -0.039 0.000 2.330 57 D HA 0.169 4.790 4.640 -0.031 0.000 0.249 57 D C -1.090 175.193 176.300 -0.029 0.000 1.306 57 D CA -0.613 53.374 54.000 -0.022 0.000 0.956 57 D CB 0.337 41.126 40.800 -0.018 0.000 1.261 57 D HN 0.207 nan 8.370 nan 0.000 0.544 58 R N 3.060 123.558 120.500 -0.003 0.000 2.296 58 R HA 0.386 4.708 4.340 -0.031 0.000 0.323 58 R C 0.148 176.497 176.300 0.082 0.000 1.067 58 R CA -0.070 56.035 56.100 0.007 0.000 0.946 58 R CB 0.647 30.995 30.300 0.080 0.000 0.991 58 R HN 0.402 nan 8.270 nan 0.000 0.448 59 R N 2.328 122.827 120.500 -0.001 0.000 2.711 59 R HA 0.486 4.807 4.340 -0.031 0.000 0.284 59 R C -0.713 175.585 176.300 -0.003 0.000 0.968 59 R CA -0.656 55.488 56.100 0.074 0.000 0.924 59 R CB 1.430 31.741 30.300 0.019 0.000 1.162 59 R HN 0.256 nan 8.270 nan 0.000 0.465 60 F N 0.640 120.578 119.950 -0.020 0.000 2.532 60 F HA 0.465 4.973 4.527 -0.032 0.000 0.321 60 F C 0.372 176.170 175.800 -0.004 0.000 1.089 60 F CA -0.806 57.176 58.000 -0.029 0.000 0.926 60 F CB 1.794 40.764 39.000 -0.050 0.000 1.168 60 F HN 0.168 nan 8.300 nan 0.000 0.459 61 R N 2.238 122.820 120.500 0.137 0.000 2.346 61 R HA 0.826 5.147 4.340 -0.031 0.000 0.311 61 R C -1.883 174.478 176.300 0.102 0.000 0.983 61 R CA -0.465 55.719 56.100 0.141 0.000 0.880 61 R CB 1.352 31.741 30.300 0.149 0.000 1.100 61 R HN 0.560 nan 8.270 nan 0.000 0.453 62 V N 4.855 124.857 119.914 0.147 0.000 2.760 62 V HA 0.478 4.579 4.120 -0.031 0.000 0.309 62 V C -1.116 175.202 176.094 0.372 0.000 1.077 62 V CA -0.841 61.536 62.300 0.129 0.000 0.910 62 V CB 1.930 33.817 31.823 0.107 0.000 1.008 62 V HN 0.569 nan 8.190 nan 0.000 0.424 63 F N 4.193 124.308 119.950 0.275 0.000 2.388 63 F HA 0.613 5.121 4.527 -0.032 0.000 0.358 63 F C 0.146 176.045 175.800 0.165 0.000 1.122 63 F CA -1.689 56.467 58.000 0.261 0.000 1.056 63 F CB 1.256 40.459 39.000 0.339 0.000 1.155 63 F HN 0.224 nan 8.300 nan 0.000 0.461 64 I N 4.110 124.862 120.570 0.304 0.000 2.330 64 I HA 0.199 4.350 4.170 -0.031 0.000 0.289 64 I C -0.166 176.042 176.117 0.151 0.000 1.001 64 I CA -0.670 60.736 61.300 0.177 0.000 1.193 64 I CB 1.222 39.288 38.000 0.110 0.000 1.345 64 I HN 0.516 nan 8.210 nan 0.000 0.461 65 H N 6.052 125.142 119.070 0.034 0.000 2.496 65 H HA 0.361 4.899 4.556 -0.031 0.000 0.342 65 H C -1.151 174.165 175.328 -0.021 0.000 1.170 65 H CA -0.401 55.642 56.048 -0.009 0.000 1.274 65 H CB 1.464 31.213 29.762 -0.022 0.000 1.538 65 H HN 0.501 nan 8.280 nan 0.000 0.542 66 D N 3.843 123.757 120.400 -0.809 0.000 2.505 66 D HA 0.080 4.701 4.640 -0.031 0.000 0.250 66 D C 0.863 176.707 176.300 -0.759 0.000 1.164 66 D CA -0.488 53.172 54.000 -0.567 0.000 0.870 66 D CB 1.403 42.043 40.800 -0.266 0.000 1.160 66 D HN 0.487 nan 8.370 nan 0.000 0.549 67 V N 1.996 121.621 119.914 -0.482 0.000 3.444 67 V HA -0.009 4.092 4.120 -0.031 0.000 0.271 67 V C 1.485 177.509 176.094 -0.116 0.000 1.188 67 V CA 1.328 63.497 62.300 -0.218 0.000 1.168 67 V CB -0.110 31.680 31.823 -0.054 0.000 0.810 67 V HN 0.382 nan 8.190 nan 0.000 0.500 68 S N 0.015 115.635 115.700 -0.133 0.000 2.548 68 S HA 0.405 4.857 4.470 -0.031 0.000 0.215 68 S C 1.657 176.215 174.600 -0.070 0.000 0.976 68 S CA 0.964 59.118 58.200 -0.076 0.000 0.908 68 S CB -0.057 63.105 63.200 -0.064 0.000 0.781 68 S HN 1.560 nan 8.310 nan 0.000 0.519 69 G N 0.465 109.210 108.800 -0.092 0.000 2.195 69 G HA2 -0.142 3.800 3.960 -0.031 0.000 0.224 69 G HA3 -0.142 3.800 3.960 -0.031 0.000 0.224 69 G C 0.310 175.169 174.900 -0.068 0.000 0.990 69 G CA 0.017 45.081 45.100 -0.061 0.000 0.639 69 G HN 1.058 nan 8.290 nan 0.000 0.514 70 A N 0.432 123.200 122.820 -0.086 0.000 2.406 70 A HA 0.637 4.938 4.320 -0.031 0.000 0.243 70 A C 0.907 178.444 177.584 -0.079 0.000 1.082 70 A CA 0.239 52.231 52.037 -0.074 0.000 0.786 70 A CB 0.195 19.151 19.000 -0.073 0.000 1.029 70 A HN 0.540 nan 8.150 nan 0.000 0.495 71 R N 1.305 121.766 120.500 -0.065 0.000 2.623 71 R HA 0.178 4.499 4.340 -0.031 0.000 0.271 71 R C -2.086 174.173 176.300 -0.068 0.000 1.043 71 R CA -0.808 55.251 56.100 -0.069 0.000 1.083 71 R CB 0.115 30.375 30.300 -0.066 0.000 0.974 71 R HN 0.609 nan 8.270 nan 0.000 0.436 72 P HA 0.100 nan 4.420 nan 0.000 0.276 72 P C -1.182 176.083 177.300 -0.059 0.000 1.261 72 P CA -0.375 62.696 63.100 -0.049 0.000 0.800 72 P CB 0.970 32.640 31.700 -0.051 0.000 1.066 73 Q N -0.890 118.907 119.800 -0.005 0.000 2.421 73 Q HA 0.393 4.714 4.340 -0.031 0.000 0.280 73 Q C -0.938 175.132 176.000 0.117 0.000 1.085 73 Q CA -0.685 55.132 55.803 0.024 0.000 0.807 73 Q CB 2.573 31.336 28.738 0.042 0.000 1.405 73 Q HN 0.426 nan 8.270 nan 0.000 0.419 74 E N 1.627 121.914 120.200 0.146 0.000 2.113 74 E HA 0.467 4.798 4.350 -0.031 0.000 0.273 74 E C -1.481 175.262 176.600 0.239 0.000 0.924 74 E CA -0.505 56.084 56.400 0.315 0.000 0.764 74 E CB 1.258 31.163 29.700 0.342 0.000 1.104 74 E HN 0.320 nan 8.360 nan 0.000 0.406 75 V N 3.497 123.562 119.914 0.251 0.000 2.604 75 V HA 0.397 4.498 4.120 -0.031 0.000 0.305 75 V C -0.207 175.985 176.094 0.162 0.000 1.043 75 V CA -0.740 61.660 62.300 0.167 0.000 0.888 75 V CB 2.152 34.051 31.823 0.126 0.000 0.995 75 V HN 0.698 nan 8.190 nan 0.000 0.429 76 T N 4.081 118.710 114.554 0.126 0.000 2.792 76 T HA 0.660 4.992 4.350 -0.031 0.000 0.280 76 T C -0.409 174.349 174.700 0.096 0.000 0.990 76 T CA -0.416 61.753 62.100 0.116 0.000 0.960 76 T CB 1.469 70.395 68.868 0.097 0.000 0.939 76 T HN 0.778 nan 8.240 nan 0.000 0.439 77 V N 0.608 120.589 119.914 0.111 0.000 3.001 77 V HA 0.916 5.017 4.120 -0.031 0.000 0.314 77 V C -0.240 175.919 176.094 0.109 0.000 1.099 77 V CA -0.947 61.405 62.300 0.087 0.000 0.989 77 V CB 2.161 34.020 31.823 0.059 0.000 1.040 77 V HN 0.744 nan 8.190 nan 0.000 0.434 78 S N 1.558 117.302 115.700 0.073 0.000 2.498 78 S HA 0.438 4.889 4.470 -0.031 0.000 0.324 78 S C 0.656 175.291 174.600 0.058 0.000 1.071 78 S CA -0.047 58.198 58.200 0.075 0.000 1.113 78 S CB 1.045 64.272 63.200 0.044 0.000 0.976 78 S HN 1.845 nan 8.310 nan 0.000 0.462 79 V N 3.560 123.525 119.914 0.085 0.000 3.041 79 V HA 0.050 4.151 4.120 -0.031 0.000 0.260 79 V C 1.863 177.971 176.094 0.024 0.000 1.105 79 V CA 1.595 63.909 62.300 0.023 0.000 1.125 79 V CB -1.492 30.330 31.823 -0.002 0.000 0.730 79 V HN 0.770 nan 8.190 nan 0.000 0.479 80 T N 1.686 116.263 114.554 0.039 0.000 2.737 80 T HA -0.058 4.273 4.350 -0.031 0.000 0.265 80 T C 1.622 176.328 174.700 0.011 0.000 1.038 80 T CA 1.976 64.089 62.100 0.022 0.000 1.144 80 T CB -0.347 68.532 68.868 0.018 0.000 0.866 80 T HN 0.577 nan 8.240 nan 0.000 0.434 81 N N 0.188 118.896 118.700 0.013 0.000 2.236 81 N HA 0.181 4.902 4.740 -0.031 0.000 0.196 81 N C 1.160 176.673 175.510 0.005 0.000 1.114 81 N CA 0.515 53.570 53.050 0.008 0.000 0.859 81 N CB 0.667 39.160 38.487 0.009 0.000 0.982 81 N HN 0.490 nan 8.380 nan 0.000 0.493 82 G N 1.956 110.758 108.800 0.004 0.000 2.295 82 G HA2 -0.267 3.675 3.960 -0.031 0.000 0.287 82 G HA3 -0.267 3.675 3.960 -0.031 0.000 0.287 82 G C 0.149 175.050 174.900 0.001 0.000 1.055 82 G CA 1.047 46.144 45.100 -0.004 0.000 0.922 82 G HN 0.501 nan 8.290 nan 0.000 0.503 83 T N -3.909 110.650 114.554 0.009 0.000 2.901 83 T HA 0.701 5.032 4.350 -0.031 0.000 0.293 83 T C -0.360 174.353 174.700 0.022 0.000 1.084 83 T CA -0.613 61.495 62.100 0.013 0.000 1.008 83 T CB 2.718 71.595 68.868 0.014 0.000 1.170 83 T HN 0.777 nan 8.240 nan 0.000 0.509 84 V N 3.356 123.283 119.914 0.023 0.000 2.348 84 V HA 0.215 4.316 4.120 -0.031 0.000 0.270 84 V C 1.084 177.198 176.094 0.034 0.000 1.037 84 V CA -0.717 61.602 62.300 0.032 0.000 0.872 84 V CB 0.454 32.295 31.823 0.029 0.000 1.002 84 V HN 0.806 nan 8.190 nan 0.000 0.464 85 I N 3.221 123.815 120.570 0.041 0.000 2.286 85 I HA 0.006 4.157 4.170 -0.031 0.000 0.245 85 I C 1.042 177.183 176.117 0.040 0.000 1.104 85 I CA 1.153 62.476 61.300 0.038 0.000 1.397 85 I CB -0.519 37.506 38.000 0.042 0.000 1.072 85 I HN 0.788 nan 8.210 nan 0.000 0.417 86 S N -0.464 115.267 115.700 0.050 0.000 2.552 86 S HA 0.782 5.234 4.470 -0.031 0.000 0.272 86 S C -0.924 173.715 174.600 0.064 0.000 1.150 86 S CA -0.577 57.655 58.200 0.052 0.000 0.849 86 S CB 2.346 65.579 63.200 0.055 0.000 1.113 86 S HN 0.283 nan 8.310 nan 0.000 0.458 87 A N 1.639 124.493 122.820 0.056 0.000 2.599 87 A HA 0.681 4.983 4.320 -0.031 0.000 0.281 87 A C -1.074 176.538 177.584 0.048 0.000 1.137 87 A CA -0.623 51.450 52.037 0.060 0.000 0.767 87 A CB 0.907 19.935 19.000 0.047 0.000 1.266 87 A HN 1.145 nan 8.150 nan 0.000 0.420 88 V N 2.146 122.094 119.914 0.057 0.000 2.398 88 V HA 0.347 4.448 4.120 -0.031 0.000 0.286 88 V C 0.422 176.522 176.094 0.011 0.000 1.026 88 V CA -0.572 61.749 62.300 0.035 0.000 0.868 88 V CB 1.559 33.409 31.823 0.045 0.000 0.982 88 V HN 0.952 nan 8.190 nan 0.000 0.443 89 E N 3.707 123.901 120.200 -0.011 0.000 2.360 89 E HA 0.426 4.757 4.350 -0.031 0.000 0.269 89 E C -1.163 175.392 176.600 -0.075 0.000 1.022 89 E CA -0.349 56.028 56.400 -0.038 0.000 0.887 89 E CB 0.802 30.481 29.700 -0.035 0.000 0.990 89 E HN 0.541 nan 8.360 nan 0.000 0.426 90 L N 3.333 124.480 121.223 -0.127 0.000 2.325 90 L HA 0.315 4.636 4.340 -0.031 0.000 0.278 90 L C -0.219 176.541 176.870 -0.183 0.000 1.023 90 L CA -0.790 53.925 54.840 -0.207 0.000 0.811 90 L CB 1.490 43.312 42.059 -0.395 0.000 1.249 90 L HN 0.508 nan 8.230 nan 0.000 0.431 91 D N 0.935 121.231 120.400 -0.173 0.000 2.485 91 D HA 0.081 4.703 4.640 -0.031 0.000 0.229 91 D C 1.239 177.435 176.300 -0.173 0.000 1.101 91 D CA -0.293 53.624 54.000 -0.139 0.000 0.906 91 D CB 1.315 42.056 40.800 -0.099 0.000 1.019 91 D HN 0.680 nan 8.370 nan 0.000 0.516 92 T N 0.676 115.116 114.554 -0.191 0.000 2.849 92 T HA -0.171 4.161 4.350 -0.031 0.000 0.270 92 T C 1.808 176.413 174.700 -0.159 0.000 1.066 92 T CA 1.095 63.073 62.100 -0.203 0.000 1.130 92 T CB -0.097 68.662 68.868 -0.182 0.000 0.864 92 T HN 0.251 nan 8.240 nan 0.000 0.481 93 A N 1.008 123.747 122.820 -0.134 0.000 2.067 93 A HA 0.493 4.794 4.320 -0.031 0.000 0.219 93 A C 2.584 180.078 177.584 -0.151 0.000 1.158 93 A CA 1.485 53.444 52.037 -0.129 0.000 0.661 93 A CB -0.921 18.018 19.000 -0.101 0.000 0.801 93 A HN 0.776 nan 8.150 nan 0.000 0.452 94 A N -0.925 121.813 122.820 -0.137 0.000 1.909 94 A HA 0.143 4.444 4.320 -0.031 0.000 0.209 94 A C 2.163 179.682 177.584 -0.109 0.000 1.247 94 A CA 1.675 53.637 52.037 -0.125 0.000 0.660 94 A CB -0.668 18.283 19.000 -0.083 0.000 0.910 94 A HN 0.631 nan 8.150 nan 0.000 0.465 95 T N -3.294 111.221 114.554 -0.066 0.000 3.086 95 T HA 0.476 4.807 4.350 -0.031 0.000 0.250 95 T C 0.859 175.663 174.700 0.173 0.000 1.074 95 T CA 0.843 62.985 62.100 0.070 0.000 0.988 95 T CB -0.038 68.838 68.868 0.015 0.000 0.988 95 T HN 1.904 nan 8.240 nan 0.000 0.530 96 G N 0.960 109.761 108.800 0.001 0.000 2.587 96 G HA2 0.063 4.005 3.960 -0.031 0.000 0.686 96 G HA3 0.063 4.005 3.960 -0.031 0.000 0.686 96 G C -1.152 173.672 174.900 -0.126 0.000 1.236 96 G CA -1.071 44.046 45.100 0.029 0.000 0.820 96 G HN 0.239 nan 8.290 nan 0.000 0.645 97 E N -0.085 120.060 120.200 -0.091 0.000 2.345 97 E HA 0.527 4.859 4.350 -0.031 0.000 0.259 97 E C 1.090 177.644 176.600 -0.077 0.000 1.117 97 E CA -0.525 55.795 56.400 -0.132 0.000 0.913 97 E CB 1.013 30.641 29.700 -0.120 0.000 1.057 97 E HN 0.509 nan 8.360 nan 0.000 0.432 98 L N 1.709 122.871 121.223 -0.102 0.000 2.466 98 L HA 0.228 4.549 4.340 -0.031 0.000 0.257 98 L C -1.942 174.930 176.870 0.004 0.000 1.189 98 L CA -1.821 53.031 54.840 0.019 0.000 0.813 98 L CB -0.199 41.870 42.059 0.017 0.000 1.118 98 L HN 0.144 nan 8.230 nan 0.000 0.471 99 P HA -0.026 nan 4.420 nan 0.000 0.267 99 P C -0.698 176.557 177.300 -0.074 0.000 1.201 99 P CA -0.219 62.907 63.100 0.043 0.000 0.775 99 P CB 0.392 32.181 31.700 0.148 0.000 0.854 100 V N 3.611 123.432 119.914 -0.156 0.000 2.637 100 V HA 0.012 4.113 4.120 -0.031 0.000 0.296 100 V C 0.744 176.678 176.094 -0.266 0.000 1.046 100 V CA 0.094 62.178 62.300 -0.360 0.000 1.066 100 V CB -0.213 31.210 31.823 -0.668 0.000 0.968 100 V HN 0.319 nan 8.190 nan 0.000 0.483 101 L N 3.278 124.305 121.223 -0.326 0.000 2.350 101 L HA 0.297 4.618 4.340 -0.031 0.000 0.275 101 L C 1.631 178.444 176.870 -0.096 0.000 1.099 101 L CA -0.085 54.666 54.840 -0.147 0.000 0.808 101 L CB 0.784 42.761 42.059 -0.136 0.000 1.149 101 L HN 0.761 nan 8.230 nan 0.000 0.442 102 E N 1.806 122.111 120.200 0.174 0.000 2.160 102 E HA -0.255 4.076 4.350 -0.031 0.000 0.195 102 E C 1.546 178.307 176.600 0.269 0.000 0.991 102 E CA 1.793 58.439 56.400 0.410 0.000 0.810 102 E CB 0.245 30.163 29.700 0.363 0.000 0.742 102 E HN 0.792 nan 8.360 nan 0.000 0.466 103 E N -0.088 120.181 120.200 0.116 0.000 2.347 103 E HA -0.172 4.160 4.350 -0.031 0.000 0.196 103 E C 1.608 178.232 176.600 0.040 0.000 1.008 103 E CA 0.839 57.295 56.400 0.093 0.000 0.852 103 E CB -0.021 29.720 29.700 0.069 0.000 0.783 103 E HN 0.336 nan 8.360 nan 0.000 0.505 104 E N 0.021 120.177 120.200 -0.074 0.000 2.122 104 E HA -0.050 4.281 4.350 -0.031 0.000 0.190 104 E C 1.439 177.980 176.600 -0.099 0.000 0.977 104 E CA 0.567 56.877 56.400 -0.150 0.000 0.820 104 E CB -0.082 29.431 29.700 -0.312 0.000 0.770 104 E HN 0.240 nan 8.360 nan 0.000 0.462 105 F N 1.861 121.841 119.950 0.050 0.000 2.161 105 F HA -0.165 4.343 4.527 -0.032 0.000 0.300 105 F C 2.055 177.894 175.800 0.066 0.000 1.089 105 F CA 1.231 59.274 58.000 0.071 0.000 1.282 105 F CB -0.373 38.701 39.000 0.124 0.000 1.010 105 F HN 0.017 nan 8.300 nan 0.000 0.485 106 E N -0.012 120.339 120.200 0.252 0.000 2.150 106 E HA -0.144 4.187 4.350 -0.031 0.000 0.193 106 E C 2.365 179.021 176.600 0.094 0.000 0.985 106 E CA 1.424 57.922 56.400 0.163 0.000 0.814 106 E CB -0.326 29.462 29.700 0.147 0.000 0.752 106 E HN 0.424 nan 8.360 nan 0.000 0.466 107 V N -1.354 118.598 119.914 0.063 0.000 2.626 107 V HA -0.166 3.936 4.120 -0.031 0.000 0.252 107 V C 2.107 178.194 176.094 -0.011 0.000 1.067 107 V CA 0.990 63.302 62.300 0.020 0.000 1.081 107 V CB -0.500 31.324 31.823 0.001 0.000 0.686 107 V HN 0.022 nan 8.190 nan 0.000 0.468 108 V N 1.070 120.983 119.914 -0.001 0.000 2.233 108 V HA -0.319 3.782 4.120 -0.031 0.000 0.247 108 V C 2.745 178.768 176.094 -0.118 0.000 1.050 108 V CA 2.785 65.051 62.300 -0.057 0.000 1.010 108 V CB -0.897 30.922 31.823 -0.006 0.000 0.637 108 V HN 0.758 nan 8.190 nan 0.000 0.444 109 E N -0.226 119.943 120.200 -0.052 0.000 2.077 109 E HA -0.284 4.047 4.350 -0.031 0.000 0.193 109 E C 2.263 178.824 176.600 -0.065 0.000 0.989 109 E CA 1.615 57.977 56.400 -0.063 0.000 0.800 109 E CB -0.117 29.600 29.700 0.029 0.000 0.746 109 E HN 0.716 nan 8.360 nan 0.000 0.452 110 Q N 0.151 119.935 119.800 -0.027 0.000 2.084 110 Q HA -0.152 4.170 4.340 -0.031 0.000 0.202 110 Q C 2.469 178.443 176.000 -0.044 0.000 0.978 110 Q CA 1.355 57.150 55.803 -0.015 0.000 0.844 110 Q CB -0.079 28.663 28.738 0.007 0.000 0.898 110 Q HN 0.381 nan 8.270 nan 0.000 0.426 111 L N 0.277 121.453 121.223 -0.077 0.000 2.027 111 L HA -0.167 4.154 4.340 -0.031 0.000 0.206 111 L C 2.312 179.097 176.870 -0.142 0.000 1.074 111 L CA 0.857 55.642 54.840 -0.092 0.000 0.745 111 L CB -0.382 41.618 42.059 -0.097 0.000 0.898 111 L HN 0.243 nan 8.230 nan 0.000 0.433 112 L N -0.192 120.862 121.223 -0.282 0.000 2.131 112 L HA -0.172 4.149 4.340 -0.031 0.000 0.210 112 L C 2.785 179.533 176.870 -0.203 0.000 1.092 112 L CA 0.882 55.426 54.840 -0.494 0.000 0.759 112 L CB -0.715 40.580 42.059 -1.274 0.000 0.903 112 L HN 0.243 nan 8.230 nan 0.000 0.435 113 A N -0.155 122.623 122.820 -0.071 0.000 2.131 113 A HA -0.176 4.125 4.320 -0.031 0.000 0.220 113 A C 2.116 179.755 177.584 0.091 0.000 1.158 113 A CA 2.049 54.139 52.037 0.089 0.000 0.665 113 A CB -0.675 18.363 19.000 0.063 0.000 0.795 113 A HN 0.525 nan 8.150 nan 0.000 0.460 114 T N -3.678 110.902 114.554 0.044 0.000 3.085 114 T HA 0.169 4.500 4.350 -0.031 0.000 0.264 114 T C 0.102 174.830 174.700 0.047 0.000 1.019 114 T CA 0.011 62.137 62.100 0.044 0.000 0.910 114 T CB -0.059 68.821 68.868 0.021 0.000 1.059 114 T HN 0.333 nan 8.240 nan 0.000 0.542 115 D N 1.586 122.024 120.400 0.064 0.000 2.277 115 D HA 0.095 4.717 4.640 -0.031 0.000 0.249 115 D C 0.632 177.001 176.300 0.116 0.000 1.134 115 D CA -0.216 53.827 54.000 0.071 0.000 0.863 115 D CB 1.349 42.179 40.800 0.051 0.000 1.143 115 D HN 0.014 nan 8.370 nan 0.000 0.458 116 E N 3.737 123.981 120.200 0.073 0.000 2.118 116 E HA -0.187 4.144 4.350 -0.031 0.000 0.195 116 E C 1.870 178.512 176.600 0.070 0.000 0.992 116 E CA 1.031 57.468 56.400 0.062 0.000 0.804 116 E CB 0.025 29.746 29.700 0.035 0.000 0.741 116 E HN 0.574 nan 8.360 nan 0.000 0.458 117 R N -0.163 120.385 120.500 0.080 0.000 2.081 117 R HA -0.087 4.234 4.340 -0.031 0.000 0.235 117 R C 2.315 178.686 176.300 0.118 0.000 1.131 117 R CA 1.326 57.470 56.100 0.075 0.000 0.960 117 R CB -0.379 29.960 30.300 0.065 0.000 0.856 117 R HN 0.343 nan 8.270 nan 0.000 0.436 118 W N 1.486 122.766 121.300 -0.034 0.000 2.381 118 W HA -0.135 4.522 4.660 -0.005 0.000 0.301 118 W C 1.440 177.946 176.519 -0.021 0.000 1.205 118 W CA 1.237 58.564 57.345 -0.030 0.000 1.285 118 W CB -0.109 29.335 29.460 -0.026 0.000 1.133 118 W HN 0.093 nan 8.180 nan 0.000 0.521 119 L N 0.774 122.084 121.223 0.145 0.000 2.083 119 L HA -0.233 4.088 4.340 -0.031 0.000 0.209 119 L C 2.551 179.393 176.870 -0.047 0.000 1.083 119 L CA 1.410 56.272 54.840 0.035 0.000 0.752 119 L CB -0.732 41.372 42.059 0.076 0.000 0.899 119 L HN -0.128 nan 8.230 nan 0.000 0.433 120 K N -0.004 120.377 120.400 -0.031 0.000 2.097 120 K HA -0.109 4.192 4.320 -0.031 0.000 0.205 120 K C 2.251 178.792 176.600 -0.099 0.000 1.050 120 K CA 1.241 57.499 56.287 -0.049 0.000 0.938 120 K CB -0.203 32.281 32.500 -0.027 0.000 0.718 120 K HN 0.270 nan 8.250 nan 0.000 0.442 121 A N 1.470 124.199 122.820 -0.153 0.000 1.902 121 A HA -0.114 4.187 4.320 -0.031 0.000 0.217 121 A C 2.103 179.529 177.584 -0.264 0.000 1.181 121 A CA 1.192 53.097 52.037 -0.219 0.000 0.623 121 A CB -0.556 18.255 19.000 -0.315 0.000 0.818 121 A HN 0.136 nan 8.150 nan 0.000 0.443 122 L N -0.948 120.075 121.223 -0.332 0.000 2.072 122 L HA -0.137 4.185 4.340 -0.031 0.000 0.205 122 L C 3.102 179.880 176.870 -0.153 0.000 1.079 122 L CA 0.943 55.615 54.840 -0.279 0.000 0.752 122 L CB -0.643 41.240 42.059 -0.293 0.000 0.906 122 L HN 0.434 nan 8.230 nan 0.000 0.436 123 A N 0.388 123.139 122.820 -0.115 0.000 1.908 123 A HA -0.192 4.109 4.320 -0.031 0.000 0.218 123 A C 2.531 180.074 177.584 -0.068 0.000 1.181 123 A CA 1.777 53.771 52.037 -0.071 0.000 0.627 123 A CB -0.690 18.279 19.000 -0.050 0.000 0.818 123 A HN 0.397 nan 8.150 nan 0.000 0.445 124 A N -0.419 122.354 122.820 -0.078 0.000 2.019 124 A HA -0.140 4.162 4.320 -0.031 0.000 0.219 124 A C 2.122 179.667 177.584 -0.065 0.000 1.164 124 A CA 1.495 53.493 52.037 -0.066 0.000 0.644 124 A CB -0.350 18.609 19.000 -0.069 0.000 0.805 124 A HN 0.562 nan 8.150 nan 0.000 0.449 125 R N -0.730 119.721 120.500 -0.082 0.000 2.334 125 R HA 0.097 4.418 4.340 -0.031 0.000 0.216 125 R C -0.325 175.938 176.300 -0.062 0.000 0.905 125 R CA 0.183 56.240 56.100 -0.072 0.000 1.064 125 R CB 0.100 30.343 30.300 -0.094 0.000 1.046 125 R HN 0.474 nan 8.270 nan 0.000 0.508 126 N N 1.029 119.694 118.700 -0.059 0.000 2.740 126 N HA -0.179 4.542 4.740 -0.031 0.000 0.248 126 N C -1.086 174.395 175.510 -0.047 0.000 1.062 126 N CA 0.963 53.986 53.050 -0.046 0.000 0.704 126 N CB -1.302 37.164 38.487 -0.034 0.000 0.968 126 N HN 0.272 nan 8.380 nan 0.000 0.547 127 L N 0.115 121.301 121.223 -0.062 0.000 2.322 127 L HA 0.335 4.656 4.340 -0.031 0.000 0.281 127 L C 0.662 177.507 176.870 -0.041 0.000 1.014 127 L CA -0.850 53.955 54.840 -0.058 0.000 0.815 127 L CB 1.630 43.639 42.059 -0.084 0.000 1.247 127 L HN -0.072 nan 8.230 nan 0.000 0.421 128 D N 2.227 122.614 120.400 -0.021 0.000 2.358 128 D HA -0.020 4.601 4.640 -0.031 0.000 0.258 128 D C 0.897 177.206 176.300 0.015 0.000 1.223 128 D CA 0.202 54.201 54.000 -0.001 0.000 0.886 128 D CB 1.881 42.685 40.800 0.006 0.000 1.120 128 D HN 0.336 nan 8.370 nan 0.000 0.482 129 V N 4.178 124.110 119.914 0.030 0.000 2.453 129 V HA -0.280 3.821 4.120 -0.031 0.000 0.252 129 V C 2.134 178.276 176.094 0.081 0.000 1.068 129 V CA 2.906 65.250 62.300 0.074 0.000 1.070 129 V CB -0.424 31.459 31.823 0.099 0.000 0.664 129 V HN 0.725 nan 8.190 nan 0.000 0.461 130 S N -1.164 114.569 115.700 0.056 0.000 2.507 130 S HA -0.101 4.350 4.470 -0.031 0.000 0.235 130 S C 1.694 176.321 174.600 0.045 0.000 0.988 130 S CA 1.121 59.352 58.200 0.051 0.000 0.944 130 S CB -0.362 62.863 63.200 0.041 0.000 0.762 130 S HN 0.749 nan 8.310 nan 0.000 0.526 131 K N 0.619 121.042 120.400 0.038 0.000 2.358 131 K HA 0.302 4.603 4.320 -0.031 0.000 0.197 131 K C -0.709 175.910 176.600 0.031 0.000 1.025 131 K CA -0.065 56.237 56.287 0.024 0.000 1.104 131 K CB 0.945 33.451 32.500 0.009 0.000 0.855 131 K HN 0.202 nan 8.250 nan 0.000 0.531 132 V N 3.360 123.312 119.914 0.063 0.000 2.348 132 V HA 0.205 4.306 4.120 -0.031 0.000 0.270 132 V C 0.146 176.318 176.094 0.130 0.000 1.037 132 V CA -0.744 61.615 62.300 0.098 0.000 0.872 132 V CB 0.762 32.666 31.823 0.134 0.000 1.002 132 V HN 0.154 nan 8.190 nan 0.000 0.464 133 R N 3.331 123.893 120.500 0.103 0.000 2.459 133 R HA 0.626 4.947 4.340 -0.031 0.000 0.281 133 R C -0.798 175.612 176.300 0.182 0.000 1.050 133 R CA -0.506 55.648 56.100 0.090 0.000 1.055 133 R CB 1.863 32.150 30.300 -0.022 0.000 1.045 133 R HN 0.447 nan 8.270 nan 0.000 0.495 134 V N 1.806 121.824 119.914 0.173 0.000 2.444 134 V HA 0.394 4.495 4.120 -0.031 0.000 0.294 134 V C -0.004 176.235 176.094 0.242 0.000 1.022 134 V CA -1.159 61.281 62.300 0.233 0.000 0.850 134 V CB 1.719 33.619 31.823 0.128 0.000 0.992 134 V HN 0.848 nan 8.190 nan 0.000 0.426 135 A N 7.419 130.464 122.820 0.376 0.000 2.350 135 A HA 0.673 4.974 4.320 -0.031 0.000 0.293 135 A C -2.518 175.292 177.584 0.376 0.000 1.231 135 A CA -1.310 50.973 52.037 0.410 0.000 0.883 135 A CB 0.017 19.418 19.000 0.668 0.000 1.133 135 A HN 0.606 nan 8.150 nan 0.000 0.533 136 P HA 0.372 nan 4.420 nan 0.000 0.280 136 P C -0.778 176.782 177.300 0.434 0.000 1.386 136 P CA 0.155 63.473 63.100 0.364 0.000 0.899 136 P CB 0.453 32.453 31.700 0.500 0.000 1.098 137 L N 1.647 123.079 121.223 0.349 0.000 2.334 137 L HA 0.503 4.825 4.340 -0.031 0.000 0.272 137 L C 0.920 177.934 176.870 0.241 0.000 1.020 137 L CA -1.033 54.006 54.840 0.332 0.000 0.812 137 L CB 1.478 43.718 42.059 0.303 0.000 1.264 137 L HN 0.261 nan 8.230 nan 0.000 0.439 138 S N 0.396 116.243 115.700 0.245 0.000 2.566 138 S HA 0.198 4.649 4.470 -0.031 0.000 0.280 138 S C 0.762 175.449 174.600 0.144 0.000 1.343 138 S CA -0.034 58.254 58.200 0.147 0.000 1.036 138 S CB 1.349 64.670 63.200 0.202 0.000 0.866 138 S HN 0.739 nan 8.310 nan 0.000 0.526 139 A N 2.627 125.474 122.820 0.045 0.000 1.997 139 A HA 0.588 4.889 4.320 -0.031 0.000 0.212 139 A C 1.528 179.243 177.584 0.217 0.000 1.178 139 A CA 0.645 52.678 52.037 -0.007 0.000 0.698 139 A CB -1.452 17.461 19.000 -0.146 0.000 0.842 139 A HN 2.336 nan 8.150 nan 0.000 0.458 140 G N -1.710 107.197 108.800 0.178 0.000 2.698 140 G HA2 -0.034 3.908 3.960 -0.031 0.000 0.233 140 G HA3 -0.034 3.908 3.960 -0.031 0.000 0.233 140 G C -0.436 174.454 174.900 -0.016 0.000 1.352 140 G CA -0.239 44.949 45.100 0.147 0.000 0.879 140 G HN 1.127 nan 8.290 nan 0.000 0.567 141 V N 0.886 120.586 119.914 -0.356 0.000 2.525 141 V HA 0.767 4.869 4.120 -0.031 0.000 0.299 141 V C -0.052 175.596 176.094 -0.742 0.000 1.034 141 V CA -0.300 61.791 62.300 -0.348 0.000 0.863 141 V CB 1.240 32.901 31.823 -0.270 0.000 0.999 141 V HN 0.729 nan 8.190 nan 0.000 0.423 142 F N 1.827 121.763 119.950 -0.023 0.000 3.180 142 F HA 0.416 4.926 4.527 -0.029 0.000 0.181 142 F C 1.248 176.927 175.800 -0.201 0.000 1.611 142 F CA -0.602 57.343 58.000 -0.090 0.000 0.961 142 F CB 0.336 39.289 39.000 -0.079 0.000 1.911 142 F HN 0.354 nan 8.300 nan 0.000 0.253 143 E N -0.650 119.426 120.200 -0.206 0.000 2.479 143 E HA 0.064 4.395 4.350 -0.031 0.000 0.193 143 E C -1.011 175.388 176.600 -0.334 0.000 1.049 143 E CA 0.169 56.385 56.400 -0.307 0.000 0.870 143 E CB -0.350 29.159 29.700 -0.319 0.000 0.944 143 E HN 0.354 nan 8.360 nan 0.000 0.492 144 Y N 0.427 120.769 120.300 0.071 0.000 2.636 144 Y HA 0.339 4.871 4.550 -0.031 0.000 0.341 144 Y C 1.530 177.434 175.900 0.007 0.000 1.169 144 Y CA -0.595 57.528 58.100 0.039 0.000 1.498 144 Y CB 0.205 38.679 38.460 0.024 0.000 1.362 144 Y HN 0.019 nan 8.280 nan 0.000 0.494 145 A N 2.105 124.980 122.820 0.092 0.000 1.986 145 A HA -0.238 4.063 4.320 -0.031 0.000 0.220 145 A C 2.179 179.790 177.584 0.045 0.000 1.171 145 A CA 1.841 53.903 52.037 0.042 0.000 0.640 145 A CB -0.260 18.753 19.000 0.022 0.000 0.811 145 A HN 0.763 nan 8.150 nan 0.000 0.451 146 E N 0.703 120.948 120.200 0.075 0.000 2.409 146 E HA -0.178 4.153 4.350 -0.031 0.000 0.198 146 E C 0.994 177.610 176.600 0.026 0.000 1.024 146 E CA 1.259 57.686 56.400 0.045 0.000 0.861 146 E CB -0.457 29.274 29.700 0.052 0.000 0.788 146 E HN 0.788 nan 8.360 nan 0.000 0.521 147 E N 0.853 121.077 120.200 0.040 0.000 2.442 147 E HA 0.069 4.400 4.350 -0.031 0.000 0.195 147 E C 0.125 176.710 176.600 -0.025 0.000 1.030 147 E CA -0.254 56.147 56.400 0.001 0.000 0.869 147 E CB 0.104 29.811 29.700 0.012 0.000 0.857 147 E HN 0.182 nan 8.360 nan 0.000 0.505 148 R N 0.613 121.099 120.500 -0.024 0.000 2.480 148 R HA 0.096 4.417 4.340 -0.031 0.000 0.303 148 R C 0.965 177.231 176.300 -0.057 0.000 0.985 148 R CA 0.757 56.827 56.100 -0.051 0.000 1.051 148 R CB 0.104 30.375 30.300 -0.049 0.000 0.935 148 R HN 0.280 nan 8.270 nan 0.000 0.410 149 G N 2.632 111.388 108.800 -0.074 0.000 2.179 149 G HA2 -0.333 3.608 3.960 -0.031 0.000 0.260 149 G HA3 -0.333 3.608 3.960 -0.031 0.000 0.260 149 G C 0.144 175.006 174.900 -0.064 0.000 0.977 149 G CA -0.021 45.035 45.100 -0.074 0.000 0.641 149 G HN 0.547 nan 8.290 nan 0.000 0.533 150 R N -0.316 120.148 120.500 -0.060 0.000 2.540 150 R HA 0.617 4.939 4.340 -0.031 0.000 0.287 150 R C 0.234 176.492 176.300 -0.071 0.000 0.980 150 R CA -0.900 55.167 56.100 -0.055 0.000 0.966 150 R CB 1.175 31.447 30.300 -0.047 0.000 1.106 150 R HN 0.147 nan 8.270 nan 0.000 0.480 151 R N 2.979 123.437 120.500 -0.070 0.000 2.235 151 R HA 0.254 4.575 4.340 -0.031 0.000 0.338 151 R C -0.584 175.652 176.300 -0.107 0.000 1.087 151 R CA -0.213 55.828 56.100 -0.099 0.000 0.948 151 R CB 0.285 30.526 30.300 -0.100 0.000 1.099 151 R HN 0.406 nan 8.270 nan 0.000 0.483 152 I N 5.335 125.833 120.570 -0.119 0.000 2.562 152 I HA 0.426 4.577 4.170 -0.031 0.000 0.301 152 I C -0.123 175.908 176.117 -0.144 0.000 1.003 152 I CA -0.917 60.304 61.300 -0.132 0.000 1.127 152 I CB 1.770 39.675 38.000 -0.158 0.000 1.304 152 I HN 0.559 nan 8.210 nan 0.000 0.446 153 L N 4.734 125.875 121.223 -0.137 0.000 2.388 153 L HA 0.547 4.868 4.340 -0.031 0.000 0.264 153 L C -0.372 176.418 176.870 -0.133 0.000 0.998 153 L CA -0.800 53.977 54.840 -0.105 0.000 0.817 153 L CB 2.702 44.727 42.059 -0.056 0.000 1.338 153 L HN 0.513 nan 8.230 nan 0.000 0.414 154 R N 0.858 121.256 120.500 -0.170 0.000 2.514 154 R HA 0.670 4.991 4.340 -0.031 0.000 0.301 154 R C -0.268 176.023 176.300 -0.014 0.000 0.962 154 R CA -0.734 55.223 56.100 -0.239 0.000 0.882 154 R CB 2.108 31.870 30.300 -0.896 0.000 1.143 154 R HN 0.746 nan 8.270 nan 0.000 0.452 155 G N 2.737 111.561 108.800 0.041 0.000 2.461 155 G HA2 0.599 4.540 3.960 -0.031 0.000 0.323 155 G HA3 0.599 4.540 3.960 -0.031 0.000 0.323 155 G C -0.848 174.227 174.900 0.292 0.000 1.229 155 G CA -0.613 44.574 45.100 0.144 0.000 0.941 155 G HN 0.294 nan 8.290 nan 0.000 0.477 156 L N 1.386 122.851 121.223 0.405 0.000 2.346 156 L HA 0.697 5.019 4.340 -0.031 0.000 0.276 156 L C 0.491 177.534 176.870 0.288 0.000 1.006 156 L CA -1.010 54.059 54.840 0.382 0.000 0.817 156 L CB 2.197 44.560 42.059 0.507 0.000 1.272 156 L HN 0.631 nan 8.230 nan 0.000 0.421 157 A N 2.948 125.822 122.820 0.091 0.000 2.304 157 A HA 0.845 5.146 4.320 -0.031 0.000 0.301 157 A C -1.164 176.145 177.584 -0.459 0.000 1.132 157 A CA -0.146 51.908 52.037 0.030 0.000 0.819 157 A CB 0.451 19.518 19.000 0.112 0.000 1.094 157 A HN 0.509 nan 8.150 nan 0.000 0.492 158 F N 0.663 120.607 119.950 -0.011 0.000 2.581 158 F HA 0.446 4.956 4.527 -0.028 0.000 0.311 158 F C -0.178 175.582 175.800 -0.066 0.000 1.113 158 F CA -0.695 57.249 58.000 -0.093 0.000 0.935 158 F CB 2.345 41.172 39.000 -0.288 0.000 1.232 158 F HN 0.318 nan 8.300 nan 0.000 0.445 159 V N 2.518 122.517 119.914 0.141 0.000 2.465 159 V HA 0.340 4.441 4.120 -0.031 0.000 0.279 159 V C -0.388 175.754 176.094 0.079 0.000 1.045 159 V CA -0.589 61.752 62.300 0.068 0.000 0.938 159 V CB 1.396 33.214 31.823 -0.007 0.000 0.986 159 V HN 0.767 nan 8.190 nan 0.000 0.467 160 Q N 2.896 122.691 119.800 -0.008 0.000 2.381 160 Q HA 0.248 4.569 4.340 -0.031 0.000 0.263 160 Q C 0.023 175.961 176.000 -0.103 0.000 1.030 160 Q CA -0.631 55.125 55.803 -0.078 0.000 0.772 160 Q CB 1.293 29.964 28.738 -0.113 0.000 1.232 160 Q HN 0.770 nan 8.270 nan 0.000 0.476 161 D N 3.567 123.875 120.400 -0.153 0.000 2.178 161 D HA -0.024 4.598 4.640 -0.031 0.000 0.202 161 D C 0.115 176.511 176.300 0.160 0.000 0.974 161 D CA 1.275 55.270 54.000 -0.009 0.000 0.841 161 D CB 0.106 40.971 40.800 0.108 0.000 0.953 161 D HN 0.440 nan 8.370 nan 0.000 0.478 162 F N -3.684 116.264 119.950 -0.002 0.000 2.711 162 F HA 0.374 4.878 4.527 -0.039 0.000 0.313 162 F C -2.190 173.606 175.800 -0.006 0.000 1.141 162 F CA -2.072 55.923 58.000 -0.008 0.000 0.941 162 F CB 0.427 39.416 39.000 -0.018 0.000 1.349 162 F HN -0.412 nan 8.300 nan 0.000 0.464 163 P HA -0.213 nan 4.420 nan 0.000 0.217 163 P C 0.351 177.664 177.300 0.021 0.000 1.151 163 P CA 2.043 65.186 63.100 0.071 0.000 0.849 163 P CB 0.228 31.987 31.700 0.098 0.000 0.787 164 E N -0.730 119.536 120.200 0.110 0.000 2.465 164 E HA 0.063 4.394 4.350 -0.031 0.000 0.195 164 E C 0.056 176.537 176.600 -0.199 0.000 1.028 164 E CA -0.335 56.085 56.400 0.034 0.000 0.899 164 E CB -0.066 29.728 29.700 0.157 0.000 1.032 164 E HN 0.263 nan 8.360 nan 0.000 0.468 165 D N 0.510 120.507 120.400 -0.672 0.000 2.304 165 D HA 0.013 4.634 4.640 -0.031 0.000 0.247 165 D C -0.539 175.535 176.300 -0.376 0.000 1.089 165 D CA -0.026 53.442 54.000 -0.887 0.000 0.910 165 D CB 1.206 41.130 40.800 -1.460 0.000 1.199 165 D HN -0.178 nan 8.370 nan 0.000 0.426 166 S N 2.280 117.836 115.700 -0.240 0.000 2.411 166 S HA 0.420 4.871 4.470 -0.031 0.000 0.304 166 S C 1.052 175.582 174.600 -0.117 0.000 1.098 166 S CA -0.238 57.901 58.200 -0.102 0.000 1.068 166 S CB 0.227 63.415 63.200 -0.020 0.000 1.032 166 S HN 0.513 nan 8.310 nan 0.000 0.511 167 A N 4.930 127.582 122.820 -0.280 0.000 2.019 167 A HA -0.041 4.260 4.320 -0.031 0.000 0.219 167 A C 1.419 178.850 177.584 -0.255 0.000 1.164 167 A CA 0.975 52.851 52.037 -0.267 0.000 0.644 167 A CB -0.743 18.006 19.000 -0.418 0.000 0.805 167 A HN 0.993 nan 8.150 nan 0.000 0.449 168 W N -0.188 121.072 121.300 -0.068 0.000 2.387 168 W HA -0.005 4.642 4.660 -0.023 0.000 0.272 168 W C 2.375 179.006 176.519 0.186 0.000 1.224 168 W CA 0.782 58.082 57.345 -0.075 0.000 1.210 168 W CB -0.171 29.250 29.460 -0.065 0.000 1.125 168 W HN 0.369 nan 8.180 nan 0.000 0.572 169 A N -0.558 122.426 122.820 0.273 0.000 2.167 169 A HA -0.056 4.245 4.320 -0.031 0.000 0.214 169 A C 0.153 177.583 177.584 -0.257 0.000 1.151 169 A CA 0.775 52.870 52.037 0.097 0.000 0.735 169 A CB -0.843 18.130 19.000 -0.045 0.000 0.802 169 A HN 0.480 nan 8.150 nan 0.000 0.467 170 H N -0.126 119.074 119.070 0.218 0.000 2.386 170 H HA 0.259 4.809 4.556 -0.010 0.000 0.232 170 H C -2.780 172.596 175.328 0.081 0.000 1.416 170 H CA -2.016 54.105 56.048 0.121 0.000 1.285 170 H CB 0.457 30.265 29.762 0.077 0.000 1.625 170 H HN 0.291 nan 8.280 nan 0.000 0.521 171 P HA -0.004 nan 4.420 nan 0.000 0.271 171 P C -0.022 177.128 177.300 -0.249 0.000 1.218 171 P CA -0.242 62.694 63.100 -0.274 0.000 0.780 171 P CB 2.141 33.712 31.700 -0.215 0.000 0.901 172 V N 3.332 123.016 119.914 -0.382 0.000 2.259 172 V HA 0.145 4.246 4.120 -0.031 0.000 0.267 172 V C 0.668 176.613 176.094 -0.248 0.000 1.051 172 V CA -0.321 61.838 62.300 -0.235 0.000 0.830 172 V CB 0.212 31.901 31.823 -0.223 0.000 1.080 172 V HN 0.538 nan 8.190 nan 0.000 0.467 173 D N 2.997 123.248 120.400 -0.249 0.000 2.371 173 D HA 0.370 4.991 4.640 -0.031 0.000 0.242 173 D C 1.341 177.485 176.300 -0.259 0.000 1.218 173 D CA 1.437 55.189 54.000 -0.414 0.000 0.945 173 D CB 1.674 41.955 40.800 -0.865 0.000 1.137 173 D HN 0.740 nan 8.370 nan 0.000 0.464 174 G N 0.245 108.865 108.800 -0.299 0.000 2.162 174 G HA2 -0.225 3.716 3.960 -0.031 0.000 0.260 174 G HA3 -0.225 3.716 3.960 -0.031 0.000 0.260 174 G C -0.085 174.839 174.900 0.039 0.000 0.976 174 G CA 0.656 45.801 45.100 0.075 0.000 0.655 174 G HN 0.482 nan 8.290 nan 0.000 0.533 175 L N -0.103 121.106 121.223 -0.023 0.000 2.436 175 L HA 0.923 5.244 4.340 -0.031 0.000 0.268 175 L C -0.684 176.242 176.870 0.092 0.000 0.974 175 L CA -1.073 53.757 54.840 -0.017 0.000 0.826 175 L CB 2.389 44.353 42.059 -0.158 0.000 1.291 175 L HN 0.642 nan 8.230 nan 0.000 0.406 176 V N 3.927 123.929 119.914 0.147 0.000 3.077 176 V HA 0.970 5.071 4.120 -0.031 0.000 0.299 176 V C -1.436 174.706 176.094 0.080 0.000 1.276 176 V CA 0.328 62.754 62.300 0.211 0.000 0.993 176 V CB 2.092 34.064 31.823 0.249 0.000 1.076 176 V HN 1.218 nan 8.190 nan 0.000 0.434 177 A N 4.717 127.572 122.820 0.058 0.000 2.454 177 A HA 0.977 5.278 4.320 -0.031 0.000 0.302 177 A C -2.087 175.441 177.584 -0.093 0.000 1.079 177 A CA -0.474 51.478 52.037 -0.142 0.000 0.731 177 A CB 1.792 20.715 19.000 -0.129 0.000 1.299 177 A HN 0.868 nan 8.150 nan 0.000 0.413 178 Y N 0.028 120.191 120.300 -0.228 0.000 2.393 178 Y HA 0.641 5.174 4.550 -0.029 0.000 0.341 178 Y C -0.115 175.653 175.900 -0.219 0.000 0.988 178 Y CA -1.661 56.270 58.100 -0.281 0.000 1.078 178 Y CB 1.816 40.062 38.460 -0.356 0.000 1.203 178 Y HN 0.385 nan 8.280 nan 0.000 0.453 179 V N 2.693 122.583 119.914 -0.039 0.000 2.709 179 V HA 0.258 4.359 4.120 -0.031 0.000 0.308 179 V C -0.799 175.249 176.094 -0.076 0.000 1.062 179 V CA -1.077 61.178 62.300 -0.074 0.000 0.901 179 V CB 2.327 34.089 31.823 -0.102 0.000 1.003 179 V HN 0.690 nan 8.190 nan 0.000 0.425 180 D N 3.070 123.431 120.400 -0.066 0.000 2.380 180 D HA 0.169 4.790 4.640 -0.031 0.000 0.230 180 D C 0.992 177.258 176.300 -0.058 0.000 1.154 180 D CA -0.226 53.737 54.000 -0.062 0.000 0.859 180 D CB 1.944 42.716 40.800 -0.047 0.000 1.045 180 D HN 0.451 nan 8.370 nan 0.000 0.495 181 V N 2.282 122.155 119.914 -0.068 0.000 3.305 181 V HA -0.073 4.028 4.120 -0.031 0.000 0.269 181 V C 1.575 177.654 176.094 -0.025 0.000 1.157 181 V CA 0.555 62.819 62.300 -0.060 0.000 1.157 181 V CB -0.350 31.414 31.823 -0.098 0.000 0.772 181 V HN 0.377 nan 8.190 nan 0.000 0.498 182 V N 1.530 121.436 119.914 -0.013 0.000 2.403 182 V HA -0.057 4.044 4.120 -0.031 0.000 0.239 182 V C 2.788 178.880 176.094 -0.003 0.000 1.041 182 V CA 1.829 64.139 62.300 0.015 0.000 1.051 182 V CB -0.254 31.586 31.823 0.029 0.000 0.704 182 V HN 0.707 nan 8.190 nan 0.000 0.472 183 S N -0.704 114.987 115.700 -0.014 0.000 2.561 183 S HA -0.041 4.410 4.470 -0.031 0.000 0.225 183 S C 0.857 175.446 174.600 -0.019 0.000 0.977 183 S CA 0.218 58.408 58.200 -0.017 0.000 0.926 183 S CB -0.495 62.693 63.200 -0.020 0.000 0.769 183 S HN 0.587 nan 8.310 nan 0.000 0.533 184 K N 1.646 122.032 120.400 -0.023 0.000 3.244 184 K HA -0.173 4.128 4.320 -0.031 0.000 0.270 184 K C -0.568 176.013 176.600 -0.033 0.000 1.016 184 K CA 1.135 57.405 56.287 -0.027 0.000 0.754 184 K CB -1.800 30.689 32.500 -0.017 0.000 1.326 184 K HN 0.939 nan 8.250 nan 0.000 0.465 185 E N -1.328 118.848 120.200 -0.039 0.000 2.317 185 E HA 0.440 4.772 4.350 -0.031 0.000 0.270 185 E C -0.551 176.017 176.600 -0.053 0.000 0.885 185 E CA -1.237 55.139 56.400 -0.040 0.000 0.760 185 E CB 1.866 31.548 29.700 -0.030 0.000 1.227 185 E HN -0.050 nan 8.360 nan 0.000 0.434 186 V N 3.035 122.914 119.914 -0.058 0.000 2.372 186 V HA 0.024 4.125 4.120 -0.031 0.000 0.261 186 V C 1.475 177.535 176.094 -0.057 0.000 1.055 186 V CA 0.475 62.731 62.300 -0.074 0.000 0.930 186 V CB 0.296 32.069 31.823 -0.085 0.000 1.031 186 V HN 0.989 nan 8.190 nan 0.000 0.479 187 T N 2.637 117.160 114.554 -0.052 0.000 2.904 187 T HA 0.102 4.433 4.350 -0.031 0.000 0.267 187 T C 0.811 175.470 174.700 -0.069 0.000 1.059 187 T CA 0.595 62.670 62.100 -0.041 0.000 1.137 187 T CB 0.260 69.115 68.868 -0.022 0.000 0.879 187 T HN 0.535 nan 8.240 nan 0.000 0.467 188 R N -0.486 119.936 120.500 -0.130 0.000 2.629 188 R HA 0.612 4.933 4.340 -0.031 0.000 0.266 188 R C -2.204 173.915 176.300 -0.301 0.000 1.051 188 R CA -0.681 55.275 56.100 -0.241 0.000 0.895 188 R CB 2.713 32.774 30.300 -0.398 0.000 1.246 188 R HN 0.069 nan 8.270 nan 0.000 0.459 189 V N 4.081 123.873 119.914 -0.204 0.000 2.482 189 V HA 0.479 4.580 4.120 -0.031 0.000 0.295 189 V C -0.348 175.673 176.094 -0.122 0.000 1.026 189 V CA -0.589 61.650 62.300 -0.102 0.000 0.856 189 V CB 1.904 33.760 31.823 0.054 0.000 1.001 189 V HN 0.570 nan 8.190 nan 0.000 0.424 190 I N 4.086 124.566 120.570 -0.150 0.000 2.339 190 I HA 0.460 4.611 4.170 -0.031 0.000 0.290 190 I C -0.744 175.357 176.117 -0.026 0.000 0.994 190 I CA -0.169 61.073 61.300 -0.096 0.000 1.191 190 I CB 1.695 39.619 38.000 -0.126 0.000 1.343 190 I HN 0.510 nan 8.210 nan 0.000 0.458 191 D N 4.780 125.171 120.400 -0.014 0.000 2.462 191 D HA 0.153 4.774 4.640 -0.031 0.000 0.245 191 D C 0.846 177.159 176.300 0.023 0.000 1.122 191 D CA -0.301 53.697 54.000 -0.003 0.000 0.864 191 D CB 1.556 42.338 40.800 -0.029 0.000 1.098 191 D HN 0.631 nan 8.370 nan 0.000 0.541 192 T N 0.353 114.945 114.554 0.064 0.000 3.107 192 T HA 0.462 4.793 4.350 -0.031 0.000 0.249 192 T C 0.898 175.645 174.700 0.079 0.000 1.096 192 T CA 0.301 62.450 62.100 0.083 0.000 1.012 192 T CB 0.199 69.143 68.868 0.128 0.000 0.977 192 T HN 0.558 nan 8.240 nan 0.000 0.527 193 G N 0.144 108.988 108.800 0.073 0.000 2.316 193 G HA2 0.279 4.220 3.960 -0.031 0.000 0.468 193 G HA3 0.279 4.220 3.960 -0.031 0.000 0.468 193 G C -1.219 173.704 174.900 0.037 0.000 1.523 193 G CA -0.724 44.374 45.100 -0.003 0.000 0.972 193 G HN 0.301 nan 8.290 nan 0.000 0.667 194 V N 0.915 120.794 119.914 -0.058 0.000 2.614 194 V HA 0.631 4.732 4.120 -0.031 0.000 0.291 194 V C -0.099 175.934 176.094 -0.102 0.000 1.049 194 V CA 0.206 62.498 62.300 -0.014 0.000 1.038 194 V CB 0.772 32.565 31.823 -0.050 0.000 0.980 194 V HN 0.542 nan 8.190 nan 0.000 0.481 195 F N 4.122 124.037 119.950 -0.059 0.000 2.551 195 F HA 0.565 5.065 4.527 -0.044 0.000 0.316 195 F C -2.027 173.747 175.800 -0.043 0.000 1.089 195 F CA -2.486 55.484 58.000 -0.048 0.000 0.915 195 F CB 1.612 40.582 39.000 -0.051 0.000 1.186 195 F HN 0.330 nan 8.300 nan 0.000 0.456 196 P HA 0.127 nan 4.420 nan 0.000 0.268 196 P C -0.882 176.474 177.300 0.092 0.000 1.205 196 P CA -0.184 62.965 63.100 0.082 0.000 0.771 196 P CB 0.562 32.301 31.700 0.064 0.000 0.858 197 V N 6.206 126.155 119.914 0.059 0.000 2.432 197 V HA 0.167 4.268 4.120 -0.031 0.000 0.271 197 V C -1.874 174.278 176.094 0.098 0.000 1.046 197 V CA -1.554 60.782 62.300 0.060 0.000 0.945 197 V CB 0.476 32.318 31.823 0.031 0.000 0.992 197 V HN 0.584 nan 8.190 nan 0.000 0.471 198 P HA 0.002 nan 4.420 nan 0.000 0.260 198 P C 0.467 177.916 177.300 0.249 0.000 1.172 198 P CA 0.417 63.594 63.100 0.128 0.000 0.760 198 P CB 0.725 32.462 31.700 0.061 0.000 0.773 199 A N 3.680 126.611 122.820 0.186 0.000 1.943 199 A HA -0.034 4.267 4.320 -0.031 0.000 0.213 199 A C 0.863 178.619 177.584 0.286 0.000 1.181 199 A CA 0.584 52.744 52.037 0.204 0.000 0.653 199 A CB -0.495 18.573 19.000 0.114 0.000 0.833 199 A HN 0.556 nan 8.150 nan 0.000 0.451 200 E N 0.620 120.946 120.200 0.210 0.000 2.413 200 E HA 0.195 4.526 4.350 -0.031 0.000 0.263 200 E C -0.224 176.536 176.600 0.268 0.000 1.015 200 E CA 0.028 56.535 56.400 0.179 0.000 0.916 200 E CB 0.303 30.061 29.700 0.097 0.000 0.947 200 E HN 0.766 nan 8.360 nan 0.000 0.440 201 H N -0.304 118.933 119.070 0.279 0.000 2.508 201 H HA 0.472 5.006 4.556 -0.036 0.000 0.358 201 H C 0.489 175.927 175.328 0.183 0.000 1.212 201 H CA -0.789 55.398 56.048 0.231 0.000 1.356 201 H CB 1.099 31.011 29.762 0.251 0.000 1.525 201 H HN 0.475 nan 8.280 nan 0.000 0.578 202 G N 1.203 110.182 108.800 0.299 0.000 4.432 202 G HA2 0.055 3.996 3.960 -0.031 0.000 0.294 202 G HA3 0.055 3.996 3.960 -0.031 0.000 0.294 202 G C -0.680 174.214 174.900 -0.011 0.000 1.141 202 G CA -0.663 44.483 45.100 0.077 0.000 0.895 202 G HN 0.629 nan 8.290 nan 0.000 0.548 203 N N 1.762 120.595 118.700 0.223 0.000 2.555 203 N HA 0.102 4.823 4.740 -0.031 0.000 0.244 203 N C 0.740 176.161 175.510 -0.148 0.000 1.114 203 N CA -0.398 52.555 53.050 -0.163 0.000 0.963 203 N CB 0.603 39.000 38.487 -0.149 0.000 1.276 203 N HN 0.545 nan 8.380 nan 0.000 0.510 204 Y N -0.328 119.964 120.300 -0.013 0.000 2.680 204 Y HA -0.007 4.524 4.550 -0.030 0.000 0.303 204 Y C 1.658 177.554 175.900 -0.007 0.000 1.166 204 Y CA 0.194 58.272 58.100 -0.037 0.000 1.344 204 Y CB -0.676 37.720 38.460 -0.106 0.000 1.002 204 Y HN 0.295 nan 8.280 nan 0.000 0.537 205 T N -4.287 110.237 114.554 -0.051 0.000 3.044 205 T HA 0.075 4.406 4.350 -0.031 0.000 0.260 205 T C 0.027 174.729 174.700 0.004 0.000 1.019 205 T CA -0.283 61.826 62.100 0.014 0.000 0.921 205 T CB -0.111 68.752 68.868 -0.009 0.000 1.053 205 T HN 0.201 nan 8.240 nan 0.000 0.533 206 D N 2.669 123.071 120.400 0.004 0.000 2.325 206 D HA 0.263 4.884 4.640 -0.031 0.000 0.251 206 D C -1.694 174.639 176.300 0.055 0.000 1.196 206 D CA -2.397 51.612 54.000 0.016 0.000 0.866 206 D CB 1.918 42.717 40.800 -0.003 0.000 1.101 206 D HN -0.021 nan 8.370 nan 0.000 0.476 207 P HA -0.174 nan 4.420 nan 0.000 0.218 207 P C 0.952 178.285 177.300 0.056 0.000 1.146 207 P CA 1.212 64.336 63.100 0.040 0.000 0.813 207 P CB 0.099 31.813 31.700 0.023 0.000 0.778 208 E N -1.084 119.161 120.200 0.075 0.000 2.268 208 E HA -0.144 4.188 4.350 -0.031 0.000 0.195 208 E C 1.709 178.376 176.600 0.111 0.000 0.995 208 E CA 0.717 57.173 56.400 0.094 0.000 0.836 208 E CB -0.770 29.003 29.700 0.121 0.000 0.763 208 E HN 0.189 nan 8.360 nan 0.000 0.491 209 L N 1.332 122.637 121.223 0.137 0.000 2.316 209 L HA 0.068 4.389 4.340 -0.031 0.000 0.207 209 L C 2.344 179.260 176.870 0.076 0.000 1.070 209 L CA 1.849 56.758 54.840 0.114 0.000 0.820 209 L CB -0.144 42.019 42.059 0.175 0.000 0.992 209 L HN 0.294 nan 8.230 nan 0.000 0.466 210 T N -2.613 111.986 114.554 0.075 0.000 2.942 210 T HA 0.382 4.714 4.350 -0.031 0.000 0.265 210 T C 1.201 175.926 174.700 0.042 0.000 1.062 210 T CA 0.508 62.641 62.100 0.056 0.000 1.139 210 T CB -0.778 68.123 68.868 0.055 0.000 0.883 210 T HN 0.731 nan 8.240 nan 0.000 0.468 211 G N 1.937 110.762 108.800 0.043 0.000 2.782 211 G HA2 -0.055 3.886 3.960 -0.031 0.000 0.228 211 G HA3 -0.055 3.886 3.960 -0.031 0.000 0.228 211 G C -2.839 172.077 174.900 0.027 0.000 1.372 211 G CA -0.737 44.383 45.100 0.033 0.000 0.862 211 G HN 0.525 nan 8.290 nan 0.000 0.547 212 P HA 0.349 nan 4.420 nan 0.000 0.264 212 P C 0.509 177.819 177.300 0.016 0.000 1.193 212 P CA -0.170 62.940 63.100 0.017 0.000 0.763 212 P CB 0.359 32.068 31.700 0.014 0.000 0.810 213 L N 3.768 125.001 121.223 0.015 0.000 2.439 213 L HA 0.208 4.529 4.340 -0.031 0.000 0.269 213 L C 1.306 178.182 176.870 0.010 0.000 1.179 213 L CA -0.340 54.508 54.840 0.014 0.000 0.828 213 L CB 0.203 42.270 42.059 0.014 0.000 1.106 213 L HN 0.346 nan 8.230 nan 0.000 0.467 214 R N 0.717 121.222 120.500 0.008 0.000 2.623 214 R HA 0.070 4.392 4.340 -0.031 0.000 0.271 214 R C 0.643 176.945 176.300 0.004 0.000 1.043 214 R CA 0.372 56.475 56.100 0.005 0.000 1.083 214 R CB 0.218 30.520 30.300 0.003 0.000 0.974 214 R HN 0.728 nan 8.270 nan 0.000 0.436 215 T N -3.713 110.843 114.554 0.003 0.000 3.200 215 T HA 0.012 4.343 4.350 -0.031 0.000 0.284 215 T C 1.161 175.862 174.700 0.001 0.000 1.009 215 T CA -0.069 62.033 62.100 0.003 0.000 0.907 215 T CB 0.338 69.208 68.868 0.003 0.000 1.120 215 T HN 0.666 nan 8.240 nan 0.000 0.534 216 T N -0.707 113.847 114.554 0.000 0.000 3.057 216 T HA 0.170 4.501 4.350 -0.031 0.000 0.254 216 T C 0.718 175.416 174.700 -0.002 0.000 1.094 216 T CA -0.131 61.969 62.100 -0.001 0.000 1.088 216 T CB -0.296 68.571 68.868 -0.002 0.000 0.934 216 T HN 0.436 nan 8.240 nan 0.000 0.497 217 Q N 2.220 122.019 119.800 -0.002 0.000 2.323 217 Q HA 0.275 4.596 4.340 -0.031 0.000 0.257 217 Q C -0.401 175.598 176.000 -0.002 0.000 1.022 217 Q CA -0.273 55.528 55.803 -0.003 0.000 0.919 217 Q CB 0.745 29.481 28.738 -0.003 0.000 1.220 217 Q HN 0.180 nan 8.270 nan 0.000 0.427 218 K N 3.588 123.987 120.400 -0.003 0.000 2.154 218 K HA 0.364 4.665 4.320 -0.031 0.000 0.264 218 K C -1.900 174.700 176.600 -0.001 0.000 1.008 218 K CA -1.733 54.553 56.287 -0.002 0.000 0.937 218 K CB 0.243 32.742 32.500 -0.003 0.000 1.002 218 K HN 0.502 nan 8.250 nan 0.000 0.469 219 P HA 0.241 nan 4.420 nan 0.000 0.272 219 P C -0.475 176.826 177.300 0.002 0.000 1.223 219 P CA -0.084 63.017 63.100 0.001 0.000 0.784 219 P CB 0.634 32.336 31.700 0.003 0.000 0.923 220 I N 1.031 121.602 120.570 0.003 0.000 2.411 220 I HA 0.136 4.287 4.170 -0.031 0.000 0.284 220 I C 0.354 176.476 176.117 0.008 0.000 1.012 220 I CA -0.579 60.723 61.300 0.004 0.000 1.119 220 I CB 1.754 39.756 38.000 0.004 0.000 1.261 220 I HN 0.284 nan 8.210 nan 0.000 0.448 221 S N 7.753 123.458 115.700 0.009 0.000 2.422 221 S HA 0.605 5.056 4.470 -0.031 0.000 0.298 221 S C -0.520 174.091 174.600 0.017 0.000 1.118 221 S CA -0.434 57.773 58.200 0.012 0.000 1.083 221 S CB 0.206 63.412 63.200 0.011 0.000 0.971 221 S HN 0.443 nan 8.310 nan 0.000 0.478 222 I N 5.438 126.021 120.570 0.021 0.000 2.382 222 I HA 0.376 4.527 4.170 -0.031 0.000 0.285 222 I C 0.208 176.343 176.117 0.030 0.000 1.007 222 I CA -0.374 60.944 61.300 0.031 0.000 1.142 222 I CB 1.724 39.747 38.000 0.038 0.000 1.289 222 I HN 0.684 nan 8.210 nan 0.000 0.453 223 T N 1.838 116.412 114.554 0.033 0.000 2.865 223 T HA 0.514 4.846 4.350 -0.031 0.000 0.294 223 T C -0.805 173.917 174.700 0.036 0.000 1.119 223 T CA -0.894 61.224 62.100 0.030 0.000 1.007 223 T CB 2.281 71.162 68.868 0.022 0.000 1.225 223 T HN 0.494 nan 8.240 nan 0.000 0.515 224 Q N 1.478 121.296 119.800 0.030 0.000 2.616 224 Q HA 0.277 4.598 4.340 -0.031 0.000 0.250 224 Q C -1.890 174.119 176.000 0.014 0.000 0.991 224 Q CA -2.035 53.785 55.803 0.029 0.000 0.707 224 Q CB 2.114 30.872 28.738 0.033 0.000 1.247 224 Q HN 0.578 nan 8.270 nan 0.000 0.491 225 P HA -0.190 nan 4.420 nan 0.000 0.218 225 P C 0.057 177.359 177.300 0.003 0.000 1.146 225 P CA 1.337 64.442 63.100 0.009 0.000 0.813 225 P CB 0.500 32.206 31.700 0.010 0.000 0.778 226 E N -0.569 119.632 120.200 0.002 0.000 2.548 226 E HA 0.383 4.714 4.350 -0.031 0.000 0.206 226 E C 0.790 177.378 176.600 -0.019 0.000 1.005 226 E CA -0.024 56.373 56.400 -0.006 0.000 0.951 226 E CB 0.396 30.095 29.700 -0.001 0.000 1.035 226 E HN 0.216 nan 8.360 nan 0.000 0.470 227 G N 3.000 111.786 108.800 -0.024 0.000 2.796 227 G HA2 -0.189 3.752 3.960 -0.031 0.000 0.571 227 G HA3 -0.189 3.752 3.960 -0.031 0.000 0.571 227 G C -2.728 172.123 174.900 -0.081 0.000 1.370 227 G CA -0.910 44.155 45.100 -0.058 0.000 0.856 227 G HN 0.007 nan 8.290 nan 0.000 0.538 228 P HA 0.362 nan 4.420 nan 0.000 0.274 228 P C 0.581 177.762 177.300 -0.199 0.000 1.237 228 P CA 0.080 63.018 63.100 -0.271 0.000 0.793 228 P CB 1.281 32.497 31.700 -0.806 0.000 0.977 229 S N 0.023 115.738 115.700 0.025 0.000 2.558 229 S HA 0.116 4.567 4.470 -0.031 0.000 0.217 229 S C 0.695 175.462 174.600 0.277 0.000 0.975 229 S CA 0.097 58.390 58.200 0.156 0.000 0.912 229 S CB -0.734 62.623 63.200 0.262 0.000 0.776 229 S HN 0.569 nan 8.310 nan 0.000 0.526 230 F N 2.042 122.188 119.950 0.327 0.000 2.399 230 F HA 0.750 5.258 4.527 -0.031 0.000 0.328 230 F C 0.149 176.037 175.800 0.146 0.000 1.084 230 F CA -1.134 57.043 58.000 0.294 0.000 1.053 230 F CB 0.352 39.487 39.000 0.226 0.000 1.209 230 F HN -0.139 nan 8.300 nan 0.000 0.502 231 T N -0.220 114.531 114.554 0.330 0.000 2.885 231 T HA 0.749 5.080 4.350 -0.031 0.000 0.285 231 T C -1.148 173.716 174.700 0.273 0.000 1.019 231 T CA -0.816 61.404 62.100 0.199 0.000 1.010 231 T CB 1.544 70.496 68.868 0.140 0.000 1.022 231 T HN 0.684 nan 8.240 nan 0.000 0.466 232 V N 3.263 123.305 119.914 0.213 0.000 2.407 232 V HA 0.673 4.774 4.120 -0.031 0.000 0.291 232 V C 0.319 176.507 176.094 0.156 0.000 1.018 232 V CA -0.653 61.764 62.300 0.196 0.000 0.842 232 V CB 1.249 33.192 31.823 0.201 0.000 0.996 232 V HN 1.298 nan 8.190 nan 0.000 0.426 233 T N 0.177 114.839 114.554 0.180 0.000 2.916 233 T HA 0.689 5.020 4.350 -0.031 0.000 0.292 233 T C 0.856 175.645 174.700 0.149 0.000 1.055 233 T CA -0.056 62.133 62.100 0.149 0.000 1.009 233 T CB 1.793 70.748 68.868 0.144 0.000 1.118 233 T HN 1.718 nan 8.240 nan 0.000 0.497 234 G N -0.128 108.730 108.800 0.097 0.000 2.203 234 G HA2 0.097 4.038 3.960 -0.031 0.000 0.263 234 G HA3 0.097 4.038 3.960 -0.031 0.000 0.263 234 G C 1.332 176.287 174.900 0.091 0.000 1.012 234 G CA 0.969 46.119 45.100 0.083 0.000 0.749 234 G HN 2.400 nan 8.290 nan 0.000 0.512 235 G N -0.112 108.743 108.800 0.091 0.000 2.396 235 G HA2 -0.287 3.654 3.960 -0.031 0.000 0.242 235 G HA3 -0.287 3.654 3.960 -0.031 0.000 0.242 235 G C 0.891 175.845 174.900 0.089 0.000 1.069 235 G CA 1.357 46.506 45.100 0.082 0.000 0.633 235 G HN 2.219 nan 8.290 nan 0.000 0.517 236 N N -0.295 118.470 118.700 0.109 0.000 2.217 236 N HA 0.169 4.890 4.740 -0.031 0.000 0.239 236 N C -0.302 175.273 175.510 0.108 0.000 1.330 236 N CA 0.315 53.421 53.050 0.094 0.000 0.838 236 N CB -0.245 38.293 38.487 0.085 0.000 1.287 236 N HN 0.540 nan 8.380 nan 0.000 0.498 237 H N 1.440 120.546 119.070 0.059 0.000 2.604 237 H HA 0.461 4.999 4.556 -0.031 0.000 0.306 237 H C -0.431 174.941 175.328 0.073 0.000 1.075 237 H CA -0.316 55.766 56.048 0.057 0.000 1.357 237 H CB 0.533 30.331 29.762 0.061 0.000 1.426 237 H HN 0.005 nan 8.280 nan 0.000 0.470 238 I N 4.807 125.142 120.570 -0.393 0.000 2.412 238 I HA 0.274 4.425 4.170 -0.031 0.000 0.296 238 I C -0.097 175.903 176.117 -0.195 0.000 0.987 238 I CA -0.603 60.584 61.300 -0.188 0.000 1.180 238 I CB 1.501 39.403 38.000 -0.163 0.000 1.340 238 I HN 0.693 nan 8.210 nan 0.000 0.455 239 E N 5.265 125.506 120.200 0.069 0.000 2.241 239 E HA 0.360 4.691 4.350 -0.031 0.000 0.263 239 E C -1.802 174.993 176.600 0.325 0.000 0.882 239 E CA -0.591 55.901 56.400 0.152 0.000 0.769 239 E CB 2.855 32.648 29.700 0.155 0.000 1.185 239 E HN 0.592 nan 8.360 nan 0.000 0.415 240 W N 3.718 125.086 121.300 0.113 0.000 3.326 240 W HA 0.147 4.788 4.660 -0.031 0.000 0.333 240 W C -0.661 175.958 176.519 0.167 0.000 1.108 240 W CA -0.380 57.059 57.345 0.156 0.000 1.245 240 W CB 0.954 30.506 29.460 0.153 0.000 1.331 240 W HN 0.348 nan 8.180 nan 0.000 0.464 241 E N 5.904 125.756 120.200 -0.581 0.000 2.149 241 E HA -0.319 4.013 4.350 -0.031 0.000 0.191 241 E C 0.577 176.879 176.600 -0.496 0.000 1.384 241 E CA 1.872 57.857 56.400 -0.691 0.000 0.698 241 E CB -0.995 27.889 29.700 -1.360 0.000 1.086 241 E HN 0.893 nan 8.360 nan 0.000 0.338 242 K N -3.696 116.449 120.400 -0.425 0.000 3.610 242 K HA -0.250 4.051 4.320 -0.031 0.000 0.283 242 K C 0.173 176.347 176.600 -0.710 0.000 1.210 242 K CA 1.820 57.698 56.287 -0.680 0.000 1.026 242 K CB -1.371 30.423 32.500 -1.178 0.000 1.295 242 K HN 0.278 nan 8.250 nan 0.000 0.468 243 W N 1.651 122.751 121.300 -0.334 0.000 2.237 243 W HA 0.425 5.066 4.660 -0.031 0.000 0.335 243 W C 0.666 177.164 176.519 -0.034 0.000 1.230 243 W CA -0.082 57.209 57.345 -0.089 0.000 1.253 243 W CB 1.398 30.954 29.460 0.160 0.000 1.129 243 W HN -0.012 nan 8.180 nan 0.000 0.590 244 S N 4.007 119.866 115.700 0.265 0.000 2.575 244 S HA 0.831 5.282 4.470 -0.031 0.000 0.278 244 S C -1.122 173.503 174.600 0.043 0.000 1.139 244 S CA -0.728 57.530 58.200 0.097 0.000 0.954 244 S CB 0.134 63.409 63.200 0.125 0.000 1.054 244 S HN 0.572 nan 8.310 nan 0.000 0.483 245 L N 1.088 122.214 121.223 -0.162 0.000 2.940 245 L HA 0.750 5.071 4.340 -0.031 0.000 0.270 245 L C -2.115 174.621 176.870 -0.222 0.000 1.030 245 L CA -1.059 53.693 54.840 -0.148 0.000 0.928 245 L CB 1.655 43.637 42.059 -0.128 0.000 1.506 245 L HN 0.405 nan 8.230 nan 0.000 0.405 246 D N 1.357 121.696 120.400 -0.103 0.000 2.502 246 D HA 0.470 5.091 4.640 -0.031 0.000 0.249 246 D C -0.853 175.451 176.300 0.007 0.000 1.092 246 D CA -0.280 53.718 54.000 -0.004 0.000 0.839 246 D CB 3.271 44.106 40.800 0.059 0.000 1.264 246 D HN 0.361 nan 8.370 nan 0.000 0.511 247 V N 2.248 122.166 119.914 0.005 0.000 2.353 247 V HA 0.452 4.553 4.120 -0.031 0.000 0.264 247 V C 0.967 177.116 176.094 0.091 0.000 1.049 247 V CA -0.361 61.937 62.300 -0.004 0.000 0.896 247 V CB 1.031 32.828 31.823 -0.043 0.000 1.025 247 V HN 0.592 nan 8.190 nan 0.000 0.475 248 G N 3.178 112.069 108.800 0.152 0.000 2.511 248 G HA2 0.690 4.631 3.960 -0.031 0.000 0.316 248 G HA3 0.690 4.631 3.960 -0.031 0.000 0.316 248 G C -1.493 173.505 174.900 0.164 0.000 1.210 248 G CA -0.448 44.778 45.100 0.210 0.000 0.969 248 G HN 0.478 nan 8.290 nan 0.000 0.492 249 F N 0.014 119.951 119.950 -0.022 0.000 2.588 249 F HA 0.494 5.001 4.527 -0.032 0.000 0.318 249 F C -1.410 174.348 175.800 -0.070 0.000 1.155 249 F CA -0.939 57.000 58.000 -0.103 0.000 0.967 249 F CB 2.529 41.452 39.000 -0.128 0.000 1.236 249 F HN 0.522 nan 8.300 nan 0.000 0.455 250 D N 3.762 123.780 120.400 -0.637 0.000 2.619 250 D HA 0.305 4.926 4.640 -0.031 0.000 0.241 250 D C 0.207 176.161 176.300 -0.576 0.000 1.087 250 D CA -0.556 53.221 54.000 -0.372 0.000 0.851 250 D CB 2.434 43.143 40.800 -0.151 0.000 1.474 250 D HN 0.372 nan 8.370 nan 0.000 0.478 251 V N 4.249 124.015 119.914 -0.247 0.000 2.594 251 V HA -0.126 3.976 4.120 -0.031 0.000 0.253 251 V C 2.037 178.082 176.094 -0.082 0.000 1.069 251 V CA 2.180 64.386 62.300 -0.157 0.000 1.082 251 V CB -0.381 31.398 31.823 -0.073 0.000 0.680 251 V HN 0.632 nan 8.190 nan 0.000 0.469 252 R N -0.463 120.050 120.500 0.023 0.000 2.057 252 R HA -0.034 4.287 4.340 -0.031 0.000 0.224 252 R C 2.208 178.474 176.300 -0.057 0.000 1.136 252 R CA 1.664 57.772 56.100 0.014 0.000 0.968 252 R CB -0.187 30.083 30.300 -0.050 0.000 0.863 252 R HN 0.586 nan 8.270 nan 0.000 0.433 253 E N -0.636 119.507 120.200 -0.096 0.000 2.318 253 E HA 0.144 4.475 4.350 -0.031 0.000 0.193 253 E C 0.712 177.162 176.600 -0.250 0.000 0.998 253 E CA 0.358 56.709 56.400 -0.083 0.000 0.859 253 E CB 0.621 30.316 29.700 -0.009 0.000 0.812 253 E HN 0.565 nan 8.360 nan 0.000 0.492 254 G N 0.806 109.236 108.800 -0.618 0.000 2.496 254 G HA2 -0.288 3.653 3.960 -0.031 0.000 0.243 254 G HA3 -0.288 3.653 3.960 -0.031 0.000 0.243 254 G C -0.150 174.129 174.900 -1.035 0.000 1.176 254 G CA -0.346 44.046 45.100 -1.180 0.000 0.940 254 G HN 0.094 nan 8.290 nan 0.000 0.573 255 V N 0.800 120.248 119.914 -0.777 0.000 2.585 255 V HA 0.439 4.540 4.120 -0.031 0.000 0.296 255 V C 0.714 176.741 176.094 -0.111 0.000 1.035 255 V CA 0.141 62.327 62.300 -0.190 0.000 1.084 255 V CB 1.007 32.891 31.823 0.102 0.000 0.953 255 V HN 0.899 nan 8.190 nan 0.000 0.483 256 V N 6.673 126.480 119.914 -0.178 0.000 2.588 256 V HA 0.458 4.559 4.120 -0.031 0.000 0.304 256 V C -0.230 175.587 176.094 -0.461 0.000 1.042 256 V CA -0.627 61.480 62.300 -0.320 0.000 0.877 256 V CB 1.923 33.568 31.823 -0.296 0.000 0.996 256 V HN 0.611 nan 8.190 nan 0.000 0.425 257 L N 5.102 125.927 121.223 -0.664 0.000 2.289 257 L HA 0.612 4.934 4.340 -0.031 0.000 0.285 257 L C -0.315 176.185 176.870 -0.617 0.000 1.049 257 L CA -0.514 53.965 54.840 -0.601 0.000 0.804 257 L CB 0.853 42.471 42.059 -0.736 0.000 1.195 257 L HN 0.616 nan 8.230 nan 0.000 0.428 258 H N 3.566 122.465 119.070 -0.284 0.000 2.569 258 H HA 0.267 4.804 4.556 -0.031 0.000 0.357 258 H C -0.142 174.975 175.328 -0.352 0.000 1.153 258 H CA -0.733 55.116 56.048 -0.332 0.000 1.193 258 H CB 1.859 31.360 29.762 -0.434 0.000 1.602 258 H HN 0.568 nan 8.280 nan 0.000 0.523 259 N N 1.358 119.919 118.700 -0.231 0.000 2.705 259 N HA -0.203 4.518 4.740 -0.031 0.000 0.255 259 N C -0.286 175.164 175.510 -0.101 0.000 1.008 259 N CA 0.499 53.428 53.050 -0.201 0.000 0.742 259 N CB -1.250 37.068 38.487 -0.281 0.000 0.906 259 N HN 0.539 nan 8.380 nan 0.000 0.541 260 I N 0.532 121.048 120.570 -0.089 0.000 2.581 260 I HA 0.204 4.355 4.170 -0.031 0.000 0.285 260 I C 1.034 177.208 176.117 0.095 0.000 1.129 260 I CA 0.242 61.554 61.300 0.019 0.000 1.397 260 I CB 0.438 38.430 38.000 -0.012 0.000 1.399 260 I HN 0.314 nan 8.210 nan 0.000 0.537 261 A N 6.995 129.931 122.820 0.194 0.000 2.527 261 A HA 0.805 5.106 4.320 -0.031 0.000 0.293 261 A C -1.548 176.171 177.584 0.225 0.000 1.117 261 A CA -0.447 51.692 52.037 0.170 0.000 0.723 261 A CB 1.632 20.689 19.000 0.094 0.000 1.313 261 A HN 0.518 nan 8.150 nan 0.000 0.411 262 F N 0.443 120.385 119.950 -0.013 0.000 2.539 262 F HA 0.641 5.149 4.527 -0.032 0.000 0.318 262 F C 0.155 175.958 175.800 0.006 0.000 1.135 262 F CA -0.608 57.316 58.000 -0.127 0.000 0.915 262 F CB 1.786 40.643 39.000 -0.240 0.000 1.176 262 F HN 0.583 nan 8.300 nan 0.000 0.440 263 R N 4.114 124.519 120.500 -0.158 0.000 2.309 263 R HA 0.167 4.488 4.340 -0.031 0.000 0.331 263 R C -1.242 175.157 176.300 0.165 0.000 1.116 263 R CA 0.119 56.211 56.100 -0.014 0.000 0.970 263 R CB -0.378 29.849 30.300 -0.122 0.000 1.024 263 R HN 0.503 nan 8.270 nan 0.000 0.472 264 D N 4.069 124.642 120.400 0.288 0.000 2.467 264 D HA 0.363 4.985 4.640 -0.031 0.000 0.220 264 D C 0.844 177.236 176.300 0.153 0.000 1.103 264 D CA 0.925 55.121 54.000 0.326 0.000 0.886 264 D CB 0.757 41.761 40.800 0.341 0.000 1.025 264 D HN 0.682 nan 8.370 nan 0.000 0.514 265 G N 5.070 113.937 108.800 0.112 0.000 2.601 265 G HA2 -0.391 3.550 3.960 -0.031 0.000 0.306 265 G HA3 -0.391 3.550 3.960 -0.031 0.000 0.306 265 G C 0.736 175.659 174.900 0.038 0.000 1.172 265 G CA 0.702 45.838 45.100 0.060 0.000 0.966 265 G HN 0.602 nan 8.290 nan 0.000 0.542 266 D N 0.967 121.385 120.400 0.030 0.000 2.349 266 D HA 0.280 4.901 4.640 -0.031 0.000 0.214 266 D C 1.120 177.431 176.300 0.020 0.000 1.063 266 D CA 0.876 54.888 54.000 0.019 0.000 0.847 266 D CB 0.025 40.832 40.800 0.012 0.000 0.933 266 D HN 0.928 nan 8.370 nan 0.000 0.513 267 R N -0.380 120.138 120.500 0.029 0.000 2.744 267 R HA 0.533 4.855 4.340 -0.031 0.000 0.279 267 R C -1.490 174.838 176.300 0.048 0.000 0.977 267 R CA -1.204 54.912 56.100 0.027 0.000 0.906 267 R CB 1.138 31.443 30.300 0.009 0.000 1.197 267 R HN -0.005 nan 8.270 nan 0.000 0.463 268 L N 3.026 124.274 121.223 0.042 0.000 2.283 268 L HA 0.359 4.681 4.340 -0.031 0.000 0.287 268 L C -0.514 176.395 176.870 0.065 0.000 1.073 268 L CA -0.097 54.779 54.840 0.059 0.000 0.822 268 L CB 0.435 42.522 42.059 0.047 0.000 1.186 268 L HN 0.597 nan 8.230 nan 0.000 0.436 269 R N 7.196 127.767 120.500 0.118 0.000 2.229 269 R HA 0.429 4.750 4.340 -0.031 0.000 0.328 269 R C -2.298 174.092 176.300 0.149 0.000 1.009 269 R CA -1.727 54.449 56.100 0.127 0.000 0.864 269 R CB 0.695 31.093 30.300 0.163 0.000 1.085 269 R HN 0.499 nan 8.270 nan 0.000 0.453 270 P HA 0.091 nan 4.420 nan 0.000 0.274 270 P C -0.154 177.134 177.300 -0.020 0.000 1.231 270 P CA 0.044 63.132 63.100 -0.020 0.000 0.790 270 P CB 1.295 32.910 31.700 -0.143 0.000 0.951 271 I N 0.838 121.341 120.570 -0.113 0.000 3.746 271 I HA 0.246 4.398 4.170 -0.031 0.000 0.262 271 I C 0.693 176.670 176.117 -0.232 0.000 1.153 271 I CA 0.196 61.331 61.300 -0.274 0.000 1.395 271 I CB 0.400 38.133 38.000 -0.444 0.000 1.589 271 I HN 0.143 nan 8.210 nan 0.000 0.441 272 I N 1.056 121.524 120.570 -0.172 0.000 2.499 272 I HA 0.179 4.330 4.170 -0.031 0.000 0.288 272 I C 0.315 176.349 176.117 -0.139 0.000 1.048 272 I CA -0.252 60.960 61.300 -0.147 0.000 1.062 272 I CB 2.111 40.026 38.000 -0.141 0.000 1.238 272 I HN 0.002 nan 8.210 nan 0.000 0.426 273 N N 4.519 123.156 118.700 -0.105 0.000 2.250 273 N HA 0.022 4.743 4.740 -0.031 0.000 0.181 273 N C 0.367 175.822 175.510 -0.092 0.000 1.017 273 N CA 1.261 54.271 53.050 -0.066 0.000 0.866 273 N CB 0.397 38.947 38.487 0.105 0.000 0.985 273 N HN 0.556 nan 8.380 nan 0.000 0.429 274 R N -0.555 119.864 120.500 -0.135 0.000 2.522 274 R HA 0.583 4.905 4.340 -0.031 0.000 0.273 274 R C -2.092 174.037 176.300 -0.284 0.000 1.133 274 R CA -0.619 55.337 56.100 -0.239 0.000 0.969 274 R CB 1.341 31.552 30.300 -0.148 0.000 1.235 274 R HN 0.075 nan 8.270 nan 0.000 0.433 275 A N 2.400 124.971 122.820 -0.415 0.000 2.356 275 A HA 0.746 5.047 4.320 -0.031 0.000 0.310 275 A C -1.007 176.327 177.584 -0.416 0.000 1.075 275 A CA -0.393 51.398 52.037 -0.410 0.000 0.746 275 A CB 1.555 20.170 19.000 -0.642 0.000 1.221 275 A HN 0.834 nan 8.150 nan 0.000 0.443 276 S N 1.316 116.957 115.700 -0.099 0.000 2.615 276 S HA 0.674 5.125 4.470 -0.031 0.000 0.269 276 S C -1.185 173.546 174.600 0.218 0.000 1.161 276 S CA -0.709 57.530 58.200 0.065 0.000 0.817 276 S CB 0.914 64.082 63.200 -0.053 0.000 1.131 276 S HN 0.555 nan 8.310 nan 0.000 0.467 277 I N 2.216 122.942 120.570 0.260 0.000 2.307 277 I HA 0.407 4.558 4.170 -0.031 0.000 0.287 277 I C 1.303 177.535 176.117 0.192 0.000 1.054 277 I CA -0.524 60.914 61.300 0.230 0.000 1.218 277 I CB 0.279 38.504 38.000 0.375 0.000 1.398 277 I HN 0.987 nan 8.210 nan 0.000 0.475 278 A N 5.103 128.007 122.820 0.139 0.000 2.167 278 A HA 0.095 4.396 4.320 -0.031 0.000 0.214 278 A C 0.730 178.384 177.584 0.115 0.000 1.151 278 A CA 0.907 53.050 52.037 0.178 0.000 0.735 278 A CB 0.060 19.183 19.000 0.205 0.000 0.802 278 A HN 0.664 nan 8.150 nan 0.000 0.467 279 E N -1.896 118.312 120.200 0.012 0.000 2.388 279 E HA 0.531 4.862 4.350 -0.031 0.000 0.281 279 E C -1.323 175.249 176.600 -0.048 0.000 1.046 279 E CA -0.313 56.045 56.400 -0.070 0.000 0.825 279 E CB 0.797 30.282 29.700 -0.357 0.000 1.243 279 E HN 0.165 nan 8.360 nan 0.000 0.438 280 M N 4.368 123.945 119.600 -0.040 0.000 2.206 280 M HA 0.491 4.952 4.480 -0.031 0.000 0.272 280 M C -1.961 174.199 176.300 -0.233 0.000 1.012 280 M CA -0.811 54.336 55.300 -0.256 0.000 0.986 280 M CB 1.472 33.884 32.600 -0.313 0.000 1.740 280 M HN 0.431 nan 8.290 nan 0.000 0.472 281 V N 5.792 125.520 119.914 -0.310 0.000 2.628 281 V HA 0.735 4.836 4.120 -0.031 0.000 0.306 281 V C -1.320 174.548 176.094 -0.377 0.000 1.045 281 V CA -0.310 61.731 62.300 -0.433 0.000 0.905 281 V CB 2.241 33.676 31.823 -0.646 0.000 0.997 281 V HN 0.662 nan 8.190 nan 0.000 0.436 282 V N 8.688 128.451 119.914 -0.251 0.000 2.289 282 V HA 0.425 4.526 4.120 -0.031 0.000 0.272 282 V C -2.435 173.621 176.094 -0.063 0.000 1.026 282 V CA -1.313 60.867 62.300 -0.200 0.000 0.807 282 V CB 1.386 33.125 31.823 -0.141 0.000 1.044 282 V HN 0.822 nan 8.190 nan 0.000 0.443 283 P HA 0.362 nan 4.420 nan 0.000 0.290 283 P C -1.344 175.877 177.300 -0.132 0.000 1.276 283 P CA -0.412 62.647 63.100 -0.069 0.000 0.808 283 P CB 1.196 32.825 31.700 -0.119 0.000 0.966 284 Y N 0.814 121.081 120.300 -0.056 0.000 2.334 284 Y HA 0.461 4.993 4.550 -0.030 0.000 0.328 284 Y C 1.728 177.610 175.900 -0.029 0.000 1.130 284 Y CA 0.348 58.424 58.100 -0.041 0.000 1.163 284 Y CB 1.375 39.753 38.460 -0.137 0.000 1.207 284 Y HN 0.485 nan 8.280 nan 0.000 0.471 285 G N 1.542 110.391 108.800 0.082 0.000 3.820 285 G HA2 0.022 3.963 3.960 -0.031 0.000 0.293 285 G HA3 0.022 3.963 3.960 -0.031 0.000 0.293 285 G C -0.755 174.192 174.900 0.077 0.000 1.152 285 G CA -0.196 44.954 45.100 0.084 0.000 0.921 285 G HN 0.505 nan 8.290 nan 0.000 0.544 286 D N 1.113 121.547 120.400 0.056 0.000 2.317 286 D HA 0.263 4.884 4.640 -0.031 0.000 0.234 286 D C -1.099 175.186 176.300 -0.024 0.000 1.112 286 D CA -2.396 51.599 54.000 -0.007 0.000 0.840 286 D CB 2.367 43.160 40.800 -0.011 0.000 1.078 286 D HN 0.038 nan 8.370 nan 0.000 0.486 287 P HA -0.047 nan 4.420 nan 0.000 0.242 287 P C 0.412 177.706 177.300 -0.010 0.000 1.197 287 P CA 0.022 63.119 63.100 -0.005 0.000 0.765 287 P CB 0.173 31.879 31.700 0.010 0.000 0.936 288 S N 2.404 118.088 115.700 -0.026 0.000 2.549 288 S HA 0.082 4.533 4.470 -0.031 0.000 0.286 288 S C -0.939 173.663 174.600 0.004 0.000 1.314 288 S CA -1.045 57.149 58.200 -0.011 0.000 1.062 288 S CB 0.186 63.361 63.200 -0.043 0.000 0.865 288 S HN 0.033 nan 8.310 nan 0.000 0.498 289 P HA -0.079 nan 4.420 nan 0.000 0.228 289 P C 1.303 178.735 177.300 0.221 0.000 1.151 289 P CA 0.589 63.767 63.100 0.130 0.000 0.770 289 P CB -0.052 31.730 31.700 0.136 0.000 0.786 290 I N -0.129 120.524 120.570 0.138 0.000 2.546 290 I HA -0.076 4.075 4.170 -0.031 0.000 0.255 290 I C 2.015 178.241 176.117 0.182 0.000 1.163 290 I CA 1.246 62.667 61.300 0.200 0.000 1.457 290 I CB -0.945 37.080 38.000 0.043 0.000 1.092 290 I HN 0.049 nan 8.210 nan 0.000 0.434 291 R N -0.607 119.792 120.500 -0.168 0.000 2.539 291 R HA 0.103 4.424 4.340 -0.031 0.000 0.342 291 R C 1.844 177.673 176.300 -0.785 0.000 0.941 291 R CA 0.453 56.150 56.100 -0.673 0.000 1.146 291 R CB 0.275 30.334 30.300 -0.401 0.000 1.541 291 R HN 0.248 nan 8.270 nan 0.000 0.525 292 S N 0.765 116.206 115.700 -0.431 0.000 2.500 292 S HA -0.112 4.339 4.470 -0.031 0.000 0.239 292 S C 1.353 175.761 174.600 -0.320 0.000 0.989 292 S CA 0.420 58.462 58.200 -0.264 0.000 0.951 292 S CB -0.384 62.760 63.200 -0.093 0.000 0.759 292 S HN 0.620 nan 8.310 nan 0.000 0.523 293 W N 0.646 121.787 121.300 -0.264 0.000 3.211 293 W HA 0.380 5.018 4.660 -0.036 0.000 0.292 293 W C 0.521 177.037 176.519 -0.005 0.000 1.268 293 W CA -0.609 56.468 57.345 -0.447 0.000 1.702 293 W CB -0.638 28.416 29.460 -0.678 0.000 1.092 293 W HN 0.293 nan 8.180 nan 0.000 0.643 294 Q N 3.053 122.388 119.800 -0.775 0.000 2.276 294 Q HA 0.082 4.403 4.340 -0.031 0.000 0.267 294 Q C -0.785 175.179 176.000 -0.060 0.000 1.135 294 Q CA 0.718 56.141 55.803 -0.633 0.000 0.910 294 Q CB 0.060 28.126 28.738 -1.121 0.000 1.271 294 Q HN 0.017 nan 8.270 nan 0.000 0.417 295 N N 4.746 123.506 118.700 0.100 0.000 2.549 295 N HA 0.137 4.858 4.740 -0.031 0.000 0.290 295 N C -1.859 173.796 175.510 0.241 0.000 1.122 295 N CA -0.404 52.767 53.050 0.202 0.000 0.885 295 N CB 1.100 39.755 38.487 0.279 0.000 1.455 295 N HN 0.432 nan 8.380 nan 0.000 0.521 296 Y N 1.189 121.549 120.300 0.099 0.000 2.350 296 Y HA 0.370 4.900 4.550 -0.033 0.000 0.340 296 Y C 0.085 176.021 175.900 0.059 0.000 1.006 296 Y CA -0.471 57.735 58.100 0.176 0.000 1.166 296 Y CB 0.426 38.895 38.460 0.015 0.000 1.168 296 Y HN 0.352 nan 8.280 nan 0.000 0.502 297 F N 3.967 124.147 119.950 0.385 0.000 2.329 297 F HA 0.340 4.848 4.527 -0.032 0.000 0.362 297 F C 1.233 177.240 175.800 0.344 0.000 1.113 297 F CA -0.879 57.280 58.000 0.266 0.000 1.212 297 F CB 0.620 39.741 39.000 0.202 0.000 1.509 297 F HN 0.465 nan 8.300 nan 0.000 0.546 298 K N 0.321 120.907 120.400 0.310 0.000 2.044 298 K HA -0.130 4.171 4.320 -0.031 0.000 0.210 298 K C 1.705 178.514 176.600 0.347 0.000 1.049 298 K CA 1.802 58.248 56.287 0.265 0.000 0.927 298 K CB -0.386 32.182 32.500 0.113 0.000 0.713 298 K HN 0.436 nan 8.250 nan 0.000 0.443 299 T N 0.167 114.872 114.554 0.252 0.000 2.732 299 T HA -0.056 4.275 4.350 -0.031 0.000 0.261 299 T C 2.024 176.799 174.700 0.125 0.000 1.040 299 T CA 1.509 63.716 62.100 0.180 0.000 1.145 299 T CB -0.517 68.419 68.868 0.114 0.000 0.866 299 T HN 0.448 nan 8.240 nan 0.000 0.427 300 G N 1.037 109.917 108.800 0.133 0.000 2.402 300 G HA2 -0.123 3.818 3.960 -0.031 0.000 0.216 300 G HA3 -0.123 3.818 3.960 -0.031 0.000 0.216 300 G C 1.457 176.402 174.900 0.075 0.000 1.162 300 G CA 0.540 45.647 45.100 0.011 0.000 0.777 300 G HN 0.510 nan 8.290 nan 0.000 0.539 301 E N -1.045 119.305 120.200 0.251 0.000 2.166 301 E HA 0.079 4.410 4.350 -0.031 0.000 0.192 301 E C 1.947 178.661 176.600 0.191 0.000 0.967 301 E CA 0.390 56.900 56.400 0.183 0.000 0.840 301 E CB 0.054 29.887 29.700 0.222 0.000 0.795 301 E HN 0.538 nan 8.360 nan 0.000 0.470 302 Y N 0.067 120.561 120.300 0.324 0.000 2.479 302 Y HA 0.272 4.802 4.550 -0.033 0.000 0.283 302 Y C 0.203 176.364 175.900 0.435 0.000 1.109 302 Y CA 0.080 58.449 58.100 0.448 0.000 1.239 302 Y CB 0.455 39.184 38.460 0.450 0.000 1.108 302 Y HN -0.154 nan 8.280 nan 0.000 0.548 303 L N 0.714 122.206 121.223 0.448 0.000 2.492 303 L HA -0.183 4.138 4.340 -0.031 0.000 0.668 303 L C 1.010 178.075 176.870 0.326 0.000 1.022 303 L CA -0.023 54.984 54.840 0.279 0.000 1.371 303 L CB -1.541 40.642 42.059 0.207 0.000 2.041 303 L HN 0.135 nan 8.230 nan 0.000 0.953 304 V N -0.299 119.787 119.914 0.286 0.000 2.469 304 V HA -0.128 3.973 4.120 -0.031 0.000 0.251 304 V C 2.179 178.428 176.094 0.257 0.000 1.064 304 V CA 2.256 64.752 62.300 0.326 0.000 1.066 304 V CB -0.580 31.396 31.823 0.255 0.000 0.667 304 V HN 0.866 nan 8.190 nan 0.000 0.461 305 G N -0.220 108.598 108.800 0.030 0.000 2.432 305 G HA2 -0.321 3.620 3.960 -0.031 0.000 0.219 305 G HA3 -0.321 3.620 3.960 -0.031 0.000 0.219 305 G C 1.578 176.576 174.900 0.163 0.000 1.135 305 G CA 0.910 45.970 45.100 -0.068 0.000 0.767 305 G HN 0.686 nan 8.290 nan 0.000 0.550 306 Q N -0.703 119.102 119.800 0.008 0.000 2.234 306 Q HA -0.126 4.195 4.340 -0.031 0.000 0.206 306 Q C 1.080 176.908 176.000 -0.287 0.000 0.980 306 Q CA 1.118 56.806 55.803 -0.192 0.000 0.869 306 Q CB -0.193 28.292 28.738 -0.421 0.000 0.912 306 Q HN 0.603 nan 8.270 nan 0.000 0.436 307 Y N -0.196 120.252 120.300 0.247 0.000 2.607 307 Y HA 0.462 4.994 4.550 -0.030 0.000 0.266 307 Y C 0.349 176.409 175.900 0.268 0.000 1.178 307 Y CA -0.344 57.898 58.100 0.238 0.000 1.226 307 Y CB 0.035 38.633 38.460 0.230 0.000 1.144 307 Y HN 0.104 nan 8.280 nan 0.000 0.528 308 A N 1.057 124.111 122.820 0.390 0.000 2.511 308 A HA 0.148 4.449 4.320 -0.031 0.000 0.242 308 A C 0.284 178.047 177.584 0.298 0.000 1.069 308 A CA -0.369 51.926 52.037 0.429 0.000 0.763 308 A CB 0.016 19.277 19.000 0.436 0.000 1.001 308 A HN 0.345 nan 8.150 nan 0.000 0.498 309 N N 0.977 119.859 118.700 0.303 0.000 2.483 309 N HA 0.251 4.972 4.740 -0.031 0.000 0.269 309 N C -0.395 175.196 175.510 0.136 0.000 1.209 309 N CA -0.127 53.043 53.050 0.199 0.000 0.969 309 N CB 0.833 39.427 38.487 0.178 0.000 1.173 309 N HN 0.496 nan 8.380 nan 0.000 0.475 310 S N 0.867 116.609 115.700 0.070 0.000 2.439 310 S HA 0.315 4.766 4.470 -0.031 0.000 0.282 310 S C 0.317 174.920 174.600 0.004 0.000 1.170 310 S CA -0.642 57.563 58.200 0.008 0.000 1.054 310 S CB -0.044 63.142 63.200 -0.024 0.000 0.956 310 S HN 0.232 nan 8.310 nan 0.000 0.490 311 L N 3.729 124.962 121.223 0.016 0.000 2.319 311 L HA 0.313 4.634 4.340 -0.031 0.000 0.280 311 L C 0.521 177.387 176.870 -0.007 0.000 1.099 311 L CA -0.500 54.376 54.840 0.060 0.000 0.828 311 L CB 0.365 42.552 42.059 0.213 0.000 1.150 311 L HN 0.423 nan 8.230 nan 0.000 0.442 312 E N 3.256 123.464 120.200 0.013 0.000 2.229 312 E HA 0.216 4.547 4.350 -0.031 0.000 0.283 312 E C -0.407 176.241 176.600 0.080 0.000 1.030 312 E CA -0.878 55.525 56.400 0.006 0.000 0.836 312 E CB 1.952 31.648 29.700 -0.007 0.000 1.068 312 E HN 0.281 nan 8.360 nan 0.000 0.401 313 L N 1.893 123.183 121.223 0.111 0.000 2.485 313 L HA 0.206 4.528 4.340 -0.031 0.000 0.275 313 L C 1.385 178.299 176.870 0.073 0.000 1.207 313 L CA 1.773 56.710 54.840 0.162 0.000 0.855 313 L CB 0.264 42.432 42.059 0.183 0.000 1.114 313 L HN 0.802 nan 8.230 nan 0.000 0.485 314 G N 1.935 110.766 108.800 0.051 0.000 2.234 314 G HA2 -0.342 3.600 3.960 -0.031 0.000 0.260 314 G HA3 -0.342 3.600 3.960 -0.031 0.000 0.260 314 G C 0.815 175.724 174.900 0.015 0.000 0.987 314 G CA 0.531 45.645 45.100 0.024 0.000 0.625 314 G HN 0.795 nan 8.290 nan 0.000 0.532 315 C N -0.792 118.519 119.300 0.018 0.000 2.463 315 C HA 0.320 4.761 4.460 -0.031 0.000 0.322 315 C C 2.199 177.187 174.990 -0.002 0.000 1.556 315 C CA 1.184 60.203 59.018 0.001 0.000 2.225 315 C CB -0.385 27.351 27.740 -0.008 0.000 1.995 315 C HN 0.486 nan 8.230 nan 0.000 0.678 316 D N 0.103 120.511 120.400 0.014 0.000 2.201 316 D HA 0.044 4.666 4.640 -0.031 0.000 0.209 316 D C 0.191 176.534 176.300 0.071 0.000 0.961 316 D CA 1.112 55.126 54.000 0.025 0.000 0.861 316 D CB 0.108 40.927 40.800 0.032 0.000 0.997 316 D HN 0.404 nan 8.370 nan 0.000 0.486 317 c N 1.830 120.465 118.600 0.059 0.000 2.346 317 c HA 0.532 5.083 4.570 -0.031 0.000 0.326 317 c C -0.285 173.749 174.090 -0.093 0.000 1.224 317 c CA -1.122 55.186 56.329 -0.035 0.000 1.408 317 c CB 0.755 43.234 42.510 -0.051 0.000 2.089 317 c HN 0.160 nan 8.230 nan 0.000 0.456 318 L N 4.016 125.154 121.223 -0.141 0.000 2.322 318 L HA 0.966 5.288 4.340 -0.031 0.000 0.279 318 L C 0.498 177.279 176.870 -0.148 0.000 1.036 318 L CA 1.701 56.483 54.840 -0.097 0.000 0.807 318 L CB 1.042 43.080 42.059 -0.034 0.000 1.226 318 L HN 1.112 nan 8.230 nan 0.000 0.433 319 G N 3.205 111.962 108.800 -0.071 0.000 2.384 319 G HA2 -0.138 3.803 3.960 -0.031 0.000 0.204 319 G HA3 -0.138 3.803 3.960 -0.031 0.000 0.204 319 G C -1.153 173.732 174.900 -0.026 0.000 1.237 319 G CA -0.247 44.835 45.100 -0.031 0.000 1.060 319 G HN 0.749 nan 8.290 nan 0.000 0.514 320 D N 1.362 121.773 120.400 0.019 0.000 2.393 320 D HA 0.417 5.038 4.640 -0.031 0.000 0.232 320 D C 0.293 176.613 176.300 0.032 0.000 1.192 320 D CA -0.165 53.850 54.000 0.025 0.000 0.882 320 D CB 0.076 40.897 40.800 0.036 0.000 1.038 320 D HN 0.369 nan 8.370 nan 0.000 0.499 321 I N 2.624 123.163 120.570 -0.052 0.000 2.392 321 I HA 0.223 4.374 4.170 -0.031 0.000 0.295 321 I C 0.637 176.652 176.117 -0.171 0.000 0.985 321 I CA -0.521 60.675 61.300 -0.173 0.000 1.221 321 I CB 1.562 39.284 38.000 -0.463 0.000 1.366 321 I HN 0.131 nan 8.210 nan 0.000 0.467 322 T N 6.221 120.716 114.554 -0.099 0.000 2.791 322 T HA 0.515 4.846 4.350 -0.031 0.000 0.288 322 T C -0.584 174.045 174.700 -0.118 0.000 0.999 322 T CA -0.297 61.810 62.100 0.013 0.000 0.952 322 T CB 0.490 69.531 68.868 0.289 0.000 0.938 322 T HN 0.160 nan 8.240 nan 0.000 0.444 323 Y N 2.051 122.398 120.300 0.079 0.000 2.376 323 Y HA 0.648 5.180 4.550 -0.031 0.000 0.325 323 Y C 0.245 176.158 175.900 0.022 0.000 1.199 323 Y CA -1.254 56.871 58.100 0.041 0.000 1.206 323 Y CB 1.021 39.496 38.460 0.025 0.000 1.229 323 Y HN 0.365 nan 8.280 nan 0.000 0.480 324 L N 1.400 122.730 121.223 0.178 0.000 2.365 324 L HA 0.501 4.822 4.340 -0.031 0.000 0.273 324 L C -0.601 176.271 176.870 0.003 0.000 1.000 324 L CA -0.629 54.249 54.840 0.063 0.000 0.819 324 L CB 1.982 44.049 42.059 0.014 0.000 1.284 324 L HN 0.546 nan 8.230 nan 0.000 0.418 325 S N 3.401 119.080 115.700 -0.036 0.000 2.269 325 S HA 0.318 4.770 4.470 -0.031 0.000 0.194 325 S C -2.320 172.198 174.600 -0.136 0.000 1.547 325 S CA -1.026 57.118 58.200 -0.093 0.000 1.186 325 S CB 0.623 63.789 63.200 -0.057 0.000 1.069 325 S HN 0.392 nan 8.310 nan 0.000 0.473 326 P HA 0.207 nan 4.420 nan 0.000 0.269 326 P C -0.700 176.500 177.300 -0.167 0.000 1.215 326 P CA -0.254 62.685 63.100 -0.269 0.000 0.780 326 P CB 0.768 32.055 31.700 -0.689 0.000 0.898 327 V N 3.798 123.685 119.914 -0.045 0.000 2.513 327 V HA 0.479 4.580 4.120 -0.031 0.000 0.299 327 V C 0.682 176.806 176.094 0.051 0.000 1.035 327 V CA -0.603 61.694 62.300 -0.004 0.000 0.889 327 V CB 1.305 33.134 31.823 0.010 0.000 0.988 327 V HN 0.515 nan 8.190 nan 0.000 0.440 328 I N 0.777 121.372 120.570 0.041 0.000 3.206 328 I HA 0.815 4.967 4.170 -0.031 0.000 0.313 328 I C -0.190 175.932 176.117 0.009 0.000 1.103 328 I CA -0.635 60.694 61.300 0.047 0.000 0.985 328 I CB 2.334 40.374 38.000 0.067 0.000 1.240 328 I HN 0.523 nan 8.210 nan 0.000 0.464 329 S N 1.105 116.793 115.700 -0.019 0.000 2.578 329 S HA 0.396 4.847 4.470 -0.031 0.000 0.283 329 S C -0.605 173.983 174.600 -0.020 0.000 1.195 329 S CA -0.562 57.622 58.200 -0.028 0.000 1.050 329 S CB 0.762 63.926 63.200 -0.060 0.000 1.012 329 S HN 0.815 nan 8.310 nan 0.000 0.511 330 D N 2.511 122.916 120.400 0.008 0.000 2.506 330 D HA 0.426 5.047 4.640 -0.031 0.000 0.272 330 D C 1.175 177.455 176.300 -0.034 0.000 1.214 330 D CA -0.210 53.801 54.000 0.018 0.000 1.067 330 D CB 0.120 40.972 40.800 0.086 0.000 1.117 330 D HN 0.475 nan 8.370 nan 0.000 0.578 331 A N -1.117 121.636 122.820 -0.112 0.000 2.178 331 A HA -0.023 4.278 4.320 -0.031 0.000 0.218 331 A C 1.354 178.623 177.584 -0.525 0.000 1.157 331 A CA 0.750 52.585 52.037 -0.336 0.000 0.689 331 A CB -0.910 17.794 19.000 -0.492 0.000 0.787 331 A HN 0.454 nan 8.150 nan 0.000 0.465 332 F N -1.673 118.289 119.950 0.020 0.000 2.682 332 F HA 0.403 4.910 4.527 -0.032 0.000 0.308 332 F C 1.695 177.493 175.800 -0.004 0.000 1.093 332 F CA 0.318 58.324 58.000 0.011 0.000 1.244 332 F CB 0.422 39.429 39.000 0.010 0.000 1.052 332 F HN 0.295 nan 8.300 nan 0.000 0.573 333 G N 0.217 109.071 108.800 0.089 0.000 2.157 333 G HA2 -0.254 3.688 3.960 -0.031 0.000 0.239 333 G HA3 -0.254 3.688 3.960 -0.031 0.000 0.239 333 G C -0.016 174.901 174.900 0.028 0.000 0.982 333 G CA -0.476 44.644 45.100 0.034 0.000 0.650 333 G HN 0.252 nan 8.290 nan 0.000 0.527 334 N N 2.197 120.938 118.700 0.067 0.000 2.499 334 N HA 0.401 5.122 4.740 -0.031 0.000 0.281 334 N C -2.480 173.043 175.510 0.021 0.000 1.098 334 N CA -0.993 52.084 53.050 0.043 0.000 0.979 334 N CB 1.700 40.229 38.487 0.069 0.000 1.121 334 N HN 0.214 nan 8.380 nan 0.000 0.466 335 P HA 0.170 nan 4.420 nan 0.000 0.276 335 P C -0.607 176.698 177.300 0.008 0.000 1.230 335 P CA -0.085 63.014 63.100 -0.003 0.000 0.776 335 P CB 1.161 32.852 31.700 -0.014 0.000 0.888 336 R N 1.997 122.503 120.500 0.009 0.000 2.502 336 R HA 0.241 4.562 4.340 -0.031 0.000 0.300 336 R C -0.349 175.950 176.300 -0.001 0.000 0.984 336 R CA -0.605 55.501 56.100 0.011 0.000 0.882 336 R CB 1.389 31.702 30.300 0.022 0.000 1.180 336 R HN 0.487 nan 8.270 nan 0.000 0.444 337 E N 5.166 125.360 120.200 -0.010 0.000 2.283 337 E HA 0.150 4.481 4.350 -0.031 0.000 0.278 337 E C -0.668 175.907 176.600 -0.042 0.000 1.027 337 E CA -0.434 55.947 56.400 -0.031 0.000 0.843 337 E CB 0.891 30.573 29.700 -0.029 0.000 1.062 337 E HN 0.563 nan 8.360 nan 0.000 0.401 338 I N 5.643 126.163 120.570 -0.083 0.000 2.316 338 I HA 0.189 4.340 4.170 -0.031 0.000 0.286 338 I C 0.606 176.661 176.117 -0.103 0.000 1.107 338 I CA -0.467 60.779 61.300 -0.089 0.000 1.219 338 I CB 0.397 38.306 38.000 -0.151 0.000 1.455 338 I HN 0.408 nan 8.210 nan 0.000 0.498 339 R N 6.551 127.006 120.500 -0.075 0.000 2.504 339 R HA -0.056 4.265 4.340 -0.031 0.000 0.291 339 R C 0.202 176.423 176.300 -0.131 0.000 0.974 339 R CA 0.348 56.392 56.100 -0.094 0.000 1.077 339 R CB 0.225 30.474 30.300 -0.084 0.000 0.926 339 R HN 0.630 nan 8.270 nan 0.000 0.407 340 N N 2.512 121.117 118.700 -0.159 0.000 2.727 340 N HA -0.183 4.538 4.740 -0.031 0.000 0.249 340 N C 0.571 176.058 175.510 -0.039 0.000 1.048 340 N CA 1.127 54.043 53.050 -0.222 0.000 0.714 340 N CB -1.204 36.855 38.487 -0.712 0.000 0.959 340 N HN 0.893 nan 8.380 nan 0.000 0.544 341 G N -0.905 107.872 108.800 -0.038 0.000 2.623 341 G HA2 0.220 4.161 3.960 -0.031 0.000 0.214 341 G HA3 0.220 4.161 3.960 -0.031 0.000 0.214 341 G C 0.559 175.503 174.900 0.072 0.000 1.138 341 G CA 0.220 45.310 45.100 -0.015 0.000 0.794 341 G HN 0.457 nan 8.290 nan 0.000 0.535 342 I N 0.433 121.057 120.570 0.090 0.000 2.466 342 I HA 0.304 4.455 4.170 -0.031 0.000 0.289 342 I C -0.768 175.459 176.117 0.184 0.000 1.026 342 I CA -0.905 60.472 61.300 0.129 0.000 1.078 342 I CB 2.351 40.367 38.000 0.026 0.000 1.249 342 I HN -0.193 nan 8.210 nan 0.000 0.429 343 c N 6.988 125.671 118.600 0.138 0.000 2.341 343 c HA 0.678 5.229 4.570 -0.031 0.000 0.338 343 c C 0.088 174.166 174.090 -0.021 0.000 1.257 343 c CA -0.482 55.853 56.329 0.010 0.000 1.883 343 c CB 0.680 43.221 42.510 0.051 0.000 2.334 343 c HN 0.667 nan 8.230 nan 0.000 0.524 344 M N 5.622 125.166 119.600 -0.093 0.000 2.263 344 M HA 0.496 4.957 4.480 -0.031 0.000 0.295 344 M C -0.665 175.582 176.300 -0.088 0.000 1.028 344 M CA -0.135 55.047 55.300 -0.196 0.000 0.921 344 M CB 1.849 34.249 32.600 -0.333 0.000 1.601 344 M HN 0.963 nan 8.290 nan 0.000 0.440 345 H N 1.070 119.936 119.070 -0.339 0.000 2.987 345 H HA 0.465 5.002 4.556 -0.031 0.000 0.316 345 H C -2.118 173.097 175.328 -0.188 0.000 1.380 345 H CA -1.002 54.995 56.048 -0.085 0.000 1.160 345 H CB 1.131 30.893 29.762 -0.000 0.000 1.865 345 H HN 0.750 nan 8.280 nan 0.000 0.521 346 E N 1.176 121.366 120.200 -0.016 0.000 2.221 346 E HA 0.548 4.880 4.350 -0.031 0.000 0.268 346 E C -0.890 175.723 176.600 0.022 0.000 0.933 346 E CA -0.927 55.370 56.400 -0.172 0.000 0.809 346 E CB 2.811 32.559 29.700 0.081 0.000 1.190 346 E HN 0.732 nan 8.360 nan 0.000 0.406 347 E N 1.620 121.816 120.200 -0.007 0.000 2.390 347 E HA 0.245 4.576 4.350 -0.031 0.000 0.277 347 E C -1.454 175.264 176.600 0.197 0.000 0.939 347 E CA -1.011 55.468 56.400 0.131 0.000 0.769 347 E CB 1.480 31.269 29.700 0.149 0.000 1.251 347 E HN 0.525 nan 8.360 nan 0.000 0.450 348 D N 1.181 121.709 120.400 0.213 0.000 2.443 348 D HA -0.045 4.576 4.640 -0.031 0.000 0.239 348 D C -0.931 175.575 176.300 0.342 0.000 1.136 348 D CA 0.149 54.284 54.000 0.225 0.000 0.879 348 D CB 0.547 41.429 40.800 0.136 0.000 1.195 348 D HN 0.507 nan 8.370 nan 0.000 0.443 349 W N 5.711 127.050 121.300 0.064 0.000 1.340 349 W HA 0.370 5.011 4.660 -0.032 0.000 0.301 349 W C 0.271 176.822 176.519 0.054 0.000 0.834 349 W CA 0.063 57.444 57.345 0.061 0.000 2.473 349 W CB 0.127 29.665 29.460 0.130 0.000 1.837 349 W HN 0.847 nan 8.180 nan 0.000 0.528 350 G N 1.944 110.687 108.800 -0.097 0.000 2.575 350 G HA2 -0.334 3.608 3.960 -0.031 0.000 0.267 350 G HA3 -0.334 3.608 3.960 -0.031 0.000 0.267 350 G C -0.330 174.557 174.900 -0.022 0.000 1.264 350 G CA -0.102 44.923 45.100 -0.125 0.000 0.935 350 G HN 0.088 nan 8.290 nan 0.000 0.568 351 I N 1.246 121.793 120.570 -0.038 0.000 2.496 351 I HA 0.202 4.353 4.170 -0.031 0.000 0.285 351 I C 1.587 177.733 176.117 0.049 0.000 1.080 351 I CA -0.019 61.284 61.300 0.004 0.000 1.404 351 I CB 0.879 38.874 38.000 -0.010 0.000 1.403 351 I HN 0.635 nan 8.210 nan 0.000 0.539 352 L N 6.457 127.725 121.223 0.075 0.000 2.286 352 L HA 0.484 4.805 4.340 -0.031 0.000 0.203 352 L C 0.591 177.519 176.870 0.098 0.000 1.068 352 L CA 0.992 55.897 54.840 0.108 0.000 0.811 352 L CB 0.141 42.274 42.059 0.123 0.000 0.989 352 L HN 0.705 nan 8.230 nan 0.000 0.467 353 A N -0.397 122.489 122.820 0.111 0.000 2.566 353 A HA 0.645 4.946 4.320 -0.031 0.000 0.297 353 A C -1.155 176.547 177.584 0.195 0.000 1.059 353 A CA -0.604 51.526 52.037 0.155 0.000 0.691 353 A CB 1.065 20.196 19.000 0.219 0.000 1.282 353 A HN 0.052 nan 8.150 nan 0.000 0.401 354 K N 1.034 121.550 120.400 0.194 0.000 2.557 354 K HA 0.591 4.892 4.320 -0.031 0.000 0.257 354 K C -2.207 174.538 176.600 0.240 0.000 0.933 354 K CA -0.527 55.887 56.287 0.211 0.000 0.820 354 K CB 1.811 34.370 32.500 0.099 0.000 1.330 354 K HN 1.120 nan 8.250 nan 0.000 0.432 355 H N 0.298 119.443 119.070 0.125 0.000 3.137 355 H HA 0.353 4.890 4.556 -0.031 0.000 0.336 355 H C -1.970 173.385 175.328 0.045 0.000 1.055 355 H CA -0.354 55.721 56.048 0.045 0.000 1.349 355 H CB 1.829 31.589 29.762 -0.003 0.000 1.939 355 H HN 0.423 nan 8.280 nan 0.000 0.487 356 S N 4.195 119.559 115.700 -0.559 0.000 2.520 356 S HA 0.172 4.623 4.470 -0.031 0.000 0.324 356 S C -0.734 173.424 174.600 -0.736 0.000 1.069 356 S CA -0.663 57.268 58.200 -0.449 0.000 1.121 356 S CB 0.461 63.532 63.200 -0.215 0.000 0.971 356 S HN 0.656 nan 8.310 nan 0.000 0.463 357 D N 2.156 122.180 120.400 -0.627 0.000 2.280 357 D HA 0.283 4.904 4.640 -0.031 0.000 0.243 357 D C 0.987 177.174 176.300 -0.189 0.000 1.129 357 D CA -0.567 53.201 54.000 -0.387 0.000 0.848 357 D CB 0.852 41.605 40.800 -0.079 0.000 1.107 357 D HN 0.267 nan 8.370 nan 0.000 0.471 358 L N 5.464 126.544 121.223 -0.239 0.000 2.017 358 L HA -0.027 4.295 4.340 -0.031 0.000 0.208 358 L C 1.384 178.257 176.870 0.005 0.000 1.073 358 L CA 1.560 56.297 54.840 -0.173 0.000 0.745 358 L CB -0.347 41.532 42.059 -0.299 0.000 0.894 358 L HN 0.607 nan 8.230 nan 0.000 0.432 359 W N -0.272 121.033 121.300 0.009 0.000 2.381 359 W HA -0.065 4.576 4.660 -0.031 0.000 0.301 359 W C 2.964 179.487 176.519 0.007 0.000 1.205 359 W CA 1.422 58.773 57.345 0.010 0.000 1.285 359 W CB -1.720 27.752 29.460 0.019 0.000 1.133 359 W HN 0.524 nan 8.180 nan 0.000 0.521 360 S N -0.891 114.945 115.700 0.227 0.000 2.478 360 S HA 0.266 4.718 4.470 -0.031 0.000 0.222 360 S C 1.808 176.454 174.600 0.077 0.000 1.008 360 S CA 0.924 59.204 58.200 0.133 0.000 0.928 360 S CB -0.140 63.128 63.200 0.113 0.000 0.781 360 S HN 0.418 nan 8.310 nan 0.000 0.518 361 G N 1.129 109.960 108.800 0.052 0.000 2.184 361 G HA2 -0.243 3.698 3.960 -0.031 0.000 0.264 361 G HA3 -0.243 3.698 3.960 -0.031 0.000 0.264 361 G C 0.017 174.921 174.900 0.007 0.000 0.975 361 G CA 0.360 45.473 45.100 0.021 0.000 0.642 361 G HN 0.607 nan 8.290 nan 0.000 0.536 362 I N 1.401 121.978 120.570 0.010 0.000 2.371 362 I HA 0.256 4.407 4.170 -0.031 0.000 0.290 362 I C -0.379 175.735 176.117 -0.004 0.000 1.028 362 I CA -0.729 60.584 61.300 0.022 0.000 1.345 362 I CB 0.908 38.939 38.000 0.052 0.000 1.407 362 I HN -0.030 nan 8.210 nan 0.000 0.501 363 N N 6.526 125.236 118.700 0.016 0.000 2.424 363 N HA 0.281 5.002 4.740 -0.031 0.000 0.271 363 N C -1.281 174.288 175.510 0.099 0.000 0.985 363 N CA -0.402 52.653 53.050 0.008 0.000 0.921 363 N CB 1.703 40.179 38.487 -0.018 0.000 1.149 363 N HN 0.440 nan 8.380 nan 0.000 0.492 364 Y N 1.199 121.478 120.300 -0.034 0.000 2.391 364 Y HA 0.486 5.017 4.550 -0.031 0.000 0.341 364 Y C -0.948 174.956 175.900 0.007 0.000 0.965 364 Y CA -0.324 57.776 58.100 0.000 0.000 1.067 364 Y CB 1.552 40.028 38.460 0.027 0.000 1.199 364 Y HN 0.327 nan 8.280 nan 0.000 0.450 365 T N 6.867 121.243 114.554 -0.297 0.000 2.952 365 T HA 0.597 4.928 4.350 -0.031 0.000 0.305 365 T C -1.298 173.185 174.700 -0.361 0.000 1.064 365 T CA -1.016 60.962 62.100 -0.204 0.000 1.008 365 T CB 1.285 70.097 68.868 -0.094 0.000 1.078 365 T HN 0.422 nan 8.240 nan 0.000 0.459 366 R N 1.819 122.189 120.500 -0.216 0.000 2.673 366 R HA 0.558 4.879 4.340 -0.031 0.000 0.281 366 R C -0.670 175.611 176.300 -0.031 0.000 0.991 366 R CA -0.986 55.020 56.100 -0.157 0.000 0.896 366 R CB 1.913 32.133 30.300 -0.134 0.000 1.201 366 R HN 0.455 nan 8.270 nan 0.000 0.457 367 R N 1.265 121.761 120.500 -0.006 0.000 2.500 367 R HA 0.356 4.677 4.340 -0.031 0.000 0.277 367 R C 0.231 176.593 176.300 0.103 0.000 1.026 367 R CA -0.860 55.266 56.100 0.044 0.000 1.058 367 R CB 0.728 31.053 30.300 0.043 0.000 1.078 367 R HN 0.466 nan 8.270 nan 0.000 0.509 368 N N 0.684 119.480 118.700 0.160 0.000 2.459 368 N HA 0.434 5.155 4.740 -0.031 0.000 0.288 368 N C -0.959 174.749 175.510 0.329 0.000 1.186 368 N CA -0.422 52.785 53.050 0.261 0.000 0.917 368 N CB 1.285 39.969 38.487 0.330 0.000 1.219 368 N HN 0.370 nan 8.380 nan 0.000 0.525 369 R N -0.139 120.601 120.500 0.400 0.000 2.710 369 R HA 0.517 4.839 4.340 -0.031 0.000 0.270 369 R C -0.952 175.588 176.300 0.400 0.000 1.021 369 R CA -0.872 55.476 56.100 0.413 0.000 0.889 369 R CB 2.329 32.906 30.300 0.461 0.000 1.243 369 R HN 0.728 nan 8.270 nan 0.000 0.464 370 R N 0.820 121.362 120.500 0.069 0.000 2.698 370 R HA 0.544 4.865 4.340 -0.031 0.000 0.275 370 R C -1.261 174.562 176.300 -0.795 0.000 1.001 370 R CA -1.012 54.818 56.100 -0.449 0.000 0.896 370 R CB 1.705 31.330 30.300 -1.124 0.000 1.218 370 R HN 0.411 nan 8.270 nan 0.000 0.462 371 M N 2.762 121.574 119.600 -1.314 0.000 2.188 371 M HA 0.333 4.794 4.480 -0.031 0.000 0.357 371 M C -1.521 174.284 176.300 -0.825 0.000 1.204 371 M CA -0.543 53.920 55.300 -1.396 0.000 1.095 371 M CB 1.696 33.242 32.600 -1.756 0.000 1.604 371 M HN 0.520 nan 8.290 nan 0.000 0.464 372 V N 7.121 126.597 119.914 -0.730 0.000 2.495 372 V HA 0.564 4.665 4.120 -0.031 0.000 0.298 372 V C -0.482 175.389 176.094 -0.371 0.000 1.031 372 V CA -0.575 61.454 62.300 -0.452 0.000 0.871 372 V CB 1.531 33.063 31.823 -0.485 0.000 0.988 372 V HN 0.789 nan 8.190 nan 0.000 0.432 373 I N 4.678 125.111 120.570 -0.229 0.000 2.439 373 I HA 0.640 4.792 4.170 -0.031 0.000 0.285 373 I C -0.095 176.007 176.117 -0.026 0.000 1.021 373 I CA 0.007 61.230 61.300 -0.129 0.000 1.091 373 I CB 1.948 39.873 38.000 -0.125 0.000 1.242 373 I HN 0.788 nan 8.210 nan 0.000 0.439 374 S N 5.678 121.369 115.700 -0.015 0.000 2.638 374 S HA 0.879 5.330 4.470 -0.031 0.000 0.274 374 S C -0.941 173.733 174.600 0.124 0.000 1.157 374 S CA -0.716 57.420 58.200 -0.107 0.000 0.826 374 S CB 2.609 65.421 63.200 -0.646 0.000 1.139 374 S HN 0.549 nan 8.310 nan 0.000 0.474 375 F N -1.313 118.560 119.950 -0.128 0.000 2.686 375 F HA 0.886 5.394 4.527 -0.031 0.000 0.311 375 F C -2.208 173.642 175.800 0.084 0.000 1.128 375 F CA -1.614 56.412 58.000 0.043 0.000 0.946 375 F CB 0.846 39.917 39.000 0.118 0.000 1.336 375 F HN 0.627 nan 8.300 nan 0.000 0.457 376 F N 0.830 120.800 119.950 0.033 0.000 2.551 376 F HA 0.703 5.211 4.527 -0.032 0.000 0.316 376 F C -0.227 175.670 175.800 0.163 0.000 1.089 376 F CA -0.425 57.572 58.000 -0.006 0.000 0.915 376 F CB 2.357 41.386 39.000 0.048 0.000 1.186 376 F HN 0.863 nan 8.300 nan 0.000 0.456 377 T N 2.119 116.883 114.554 0.349 0.000 2.907 377 T HA 0.659 4.990 4.350 -0.031 0.000 0.292 377 T C -1.220 173.695 174.700 0.359 0.000 1.043 377 T CA -0.306 62.042 62.100 0.413 0.000 1.003 377 T CB 1.317 70.448 68.868 0.438 0.000 1.084 377 T HN 0.578 nan 8.240 nan 0.000 0.483 378 T N 4.222 118.953 114.554 0.295 0.000 2.840 378 T HA 0.599 4.930 4.350 -0.031 0.000 0.287 378 T C -0.708 174.011 174.700 0.030 0.000 0.991 378 T CA -0.427 61.756 62.100 0.139 0.000 0.964 378 T CB 0.413 69.352 68.868 0.118 0.000 0.954 378 T HN 0.508 nan 8.240 nan 0.000 0.438 379 I N 3.284 123.796 120.570 -0.097 0.000 2.493 379 I HA 0.469 4.620 4.170 -0.031 0.000 0.279 379 I C 1.069 177.048 176.117 -0.230 0.000 1.045 379 I CA -0.352 60.788 61.300 -0.267 0.000 1.106 379 I CB 1.056 38.889 38.000 -0.279 0.000 1.216 379 I HN 0.922 nan 8.210 nan 0.000 0.459 380 G N 6.578 115.283 108.800 -0.158 0.000 2.602 380 G HA2 -0.313 3.628 3.960 -0.031 0.000 0.310 380 G HA3 -0.313 3.628 3.960 -0.031 0.000 0.310 380 G C 0.151 174.964 174.900 -0.145 0.000 1.183 380 G CA 0.478 45.572 45.100 -0.009 0.000 0.979 380 G HN 0.726 nan 8.290 nan 0.000 0.545 384 Y N 0.450 120.767 120.300 0.027 0.000 2.446 384 Y HA 0.743 5.275 4.550 -0.031 0.000 0.345 384 Y C 0.816 176.110 175.900 -1.010 0.000 0.984 384 Y CA -1.068 56.841 58.100 -0.319 0.000 1.058 384 Y CB 2.453 40.833 38.460 -0.132 0.000 1.220 384 Y HN 0.413 nan 8.280 nan 0.000 0.455 385 G N 2.049 110.159 108.800 -1.150 0.000 2.416 385 G HA2 0.590 4.532 3.960 -0.031 0.000 0.324 385 G HA3 0.590 4.532 3.960 -0.031 0.000 0.324 385 G C -1.765 172.776 174.900 -0.599 0.000 1.194 385 G CA -0.430 43.880 45.100 -1.317 0.000 0.922 385 G HN 0.310 nan 8.290 nan 0.000 0.467 386 F N 1.513 120.928 119.950 -0.892 0.000 2.402 386 F HA 0.495 5.002 4.527 -0.032 0.000 0.355 386 F C -0.731 174.653 175.800 -0.694 0.000 1.123 386 F CA -1.006 56.638 58.000 -0.593 0.000 1.021 386 F CB 1.723 40.493 39.000 -0.383 0.000 1.160 386 F HN 0.297 nan 8.300 nan 0.000 0.451 387 Y N 1.327 121.171 120.300 -0.761 0.000 2.376 387 Y HA 0.456 4.986 4.550 -0.032 0.000 0.340 387 Y C -1.064 174.115 175.900 -1.201 0.000 0.965 387 Y CA -1.597 56.014 58.100 -0.815 0.000 1.078 387 Y CB 1.404 39.324 38.460 -0.900 0.000 1.193 387 Y HN 0.518 nan 8.280 nan 0.000 0.452 388 W N 3.238 124.185 121.300 -0.587 0.000 2.573 388 W HA 0.622 5.263 4.660 -0.031 0.000 0.326 388 W C -1.432 174.661 176.519 -0.710 0.000 1.049 388 W CA -0.731 56.300 57.345 -0.524 0.000 1.220 388 W CB 1.197 30.527 29.460 -0.217 0.000 1.373 388 W HN 0.323 nan 8.180 nan 0.000 0.507 389 Y N 2.899 123.104 120.300 -0.159 0.000 2.425 389 Y HA 0.654 5.185 4.550 -0.032 0.000 0.344 389 Y C -0.299 175.303 175.900 -0.497 0.000 0.969 389 Y CA -1.609 56.212 58.100 -0.465 0.000 1.052 389 Y CB 1.193 39.271 38.460 -0.636 0.000 1.215 389 Y HN 0.058 nan 8.280 nan 0.000 0.451 390 L N 3.980 124.864 121.223 -0.566 0.000 2.356 390 L HA 0.528 4.850 4.340 -0.031 0.000 0.277 390 L C -1.211 175.456 176.870 -0.338 0.000 0.996 390 L CA -0.846 53.600 54.840 -0.656 0.000 0.822 390 L CB 1.324 42.684 42.059 -1.165 0.000 1.256 390 L HN 0.599 nan 8.230 nan 0.000 0.413 391 Y N 1.821 122.262 120.300 0.236 0.000 2.453 391 Y HA 0.320 4.851 4.550 -0.032 0.000 0.326 391 Y C 1.186 177.533 175.900 0.746 0.000 1.186 391 Y CA -0.719 57.640 58.100 0.431 0.000 1.200 391 Y CB 1.473 40.081 38.460 0.245 0.000 1.247 391 Y HN 0.442 nan 8.280 nan 0.000 0.482 392 L N 0.629 122.270 121.223 0.697 0.000 2.042 392 L HA -0.215 4.106 4.340 -0.031 0.000 0.210 392 L C 1.600 178.710 176.870 0.400 0.000 1.076 392 L CA 1.785 56.893 54.840 0.446 0.000 0.749 392 L CB -0.357 41.855 42.059 0.255 0.000 0.893 392 L HN 0.768 nan 8.230 nan 0.000 0.432 393 D N -0.462 120.150 120.400 0.352 0.000 2.352 393 D HA 0.003 4.624 4.640 -0.031 0.000 0.232 393 D C 1.386 177.774 176.300 0.147 0.000 1.055 393 D CA 0.836 54.933 54.000 0.161 0.000 0.891 393 D CB 0.134 41.000 40.800 0.110 0.000 0.897 393 D HN 0.353 nan 8.370 nan 0.000 0.529 394 G N -0.733 108.329 108.800 0.437 0.000 2.176 394 G HA2 -0.248 3.693 3.960 -0.031 0.000 0.232 394 G HA3 -0.248 3.693 3.960 -0.031 0.000 0.232 394 G C 0.399 175.786 174.900 0.812 0.000 0.986 394 G CA 0.201 45.599 45.100 0.496 0.000 0.643 394 G HN 0.462 nan 8.290 nan 0.000 0.522 395 T N 1.331 116.273 114.554 0.646 0.000 2.919 395 T HA 0.560 4.891 4.350 -0.031 0.000 0.302 395 T C 0.545 175.607 174.700 0.603 0.000 1.031 395 T CA 0.423 62.836 62.100 0.522 0.000 1.127 395 T CB 1.314 70.297 68.868 0.193 0.000 0.952 395 T HN 0.334 nan 8.240 nan 0.000 0.540 396 I N 2.536 123.385 120.570 0.465 0.000 2.433 396 I HA 0.498 4.650 4.170 -0.031 0.000 0.292 396 I C 0.104 176.371 176.117 0.251 0.000 1.001 396 I CA -0.639 60.833 61.300 0.286 0.000 1.119 396 I CB 1.913 40.057 38.000 0.240 0.000 1.289 396 I HN 0.623 nan 8.210 nan 0.000 0.438 397 E N 5.651 125.958 120.200 0.178 0.000 2.383 397 E HA 0.505 4.836 4.350 -0.031 0.000 0.275 397 E C -2.042 174.374 176.600 -0.306 0.000 0.918 397 E CA -0.629 55.764 56.400 -0.011 0.000 0.764 397 E CB 2.782 32.613 29.700 0.219 0.000 1.252 397 E HN 0.415 nan 8.360 nan 0.000 0.449 398 F N 2.169 121.529 119.950 -0.984 0.000 2.551 398 F HA 0.544 5.052 4.527 -0.032 0.000 0.316 398 F C -1.253 173.986 175.800 -0.935 0.000 1.089 398 F CA -0.477 56.731 58.000 -1.319 0.000 0.915 398 F CB 1.878 39.702 39.000 -1.960 0.000 1.186 398 F HN 0.525 nan 8.300 nan 0.000 0.456 399 E N 4.037 123.075 120.200 -1.936 0.000 2.290 399 E HA 0.685 5.016 4.350 -0.031 0.000 0.274 399 E C -1.979 173.761 176.600 -1.433 0.000 0.889 399 E CA -0.967 54.701 56.400 -1.219 0.000 0.760 399 E CB 1.830 31.212 29.700 -0.530 0.000 1.206 399 E HN 0.884 nan 8.360 nan 0.000 0.419 400 A N 4.388 126.634 122.820 -0.957 0.000 2.317 400 A HA 0.576 4.877 4.320 -0.031 0.000 0.327 400 A C -0.840 176.475 177.584 -0.449 0.000 1.178 400 A CA -0.707 50.847 52.037 -0.806 0.000 0.817 400 A CB 0.869 19.246 19.000 -1.038 0.000 1.189 400 A HN 0.540 nan 8.150 nan 0.000 0.489 401 K N 1.672 121.873 120.400 -0.332 0.000 2.394 401 K HA 0.575 4.876 4.320 -0.031 0.000 0.260 401 K C -0.609 175.946 176.600 -0.076 0.000 0.967 401 K CA -0.308 55.878 56.287 -0.168 0.000 0.855 401 K CB 2.134 34.581 32.500 -0.088 0.000 1.101 401 K HN 0.740 nan 8.250 nan 0.000 0.433 402 A N 2.510 125.308 122.820 -0.037 0.000 2.274 402 A HA 0.575 4.877 4.320 -0.031 0.000 0.309 402 A C -0.038 177.499 177.584 -0.079 0.000 1.226 402 A CA -0.194 51.829 52.037 -0.024 0.000 0.853 402 A CB 1.279 20.217 19.000 -0.104 0.000 1.146 402 A HN 0.696 nan 8.150 nan 0.000 0.518 403 T N 0.750 115.230 114.554 -0.122 0.000 2.606 403 T HA 0.776 5.107 4.350 -0.031 0.000 0.289 403 T C 0.362 174.950 174.700 -0.187 0.000 1.113 403 T CA 1.074 63.116 62.100 -0.097 0.000 1.106 403 T CB 0.564 69.428 68.868 -0.006 0.000 1.611 403 T HN 2.676 nan 8.240 nan 0.000 0.471 404 G N -0.133 108.555 108.800 -0.186 0.000 2.451 404 G HA2 0.016 3.957 3.960 -0.031 0.000 0.208 404 G HA3 0.016 3.957 3.960 -0.031 0.000 0.208 404 G C -1.167 173.579 174.900 -0.256 0.000 1.248 404 G CA -0.227 44.724 45.100 -0.249 0.000 0.989 404 G HN 1.347 nan 8.290 nan 0.000 0.559 405 V N 1.234 120.956 119.914 -0.320 0.000 2.459 405 V HA 0.610 4.711 4.120 -0.031 0.000 0.295 405 V C 1.154 177.137 176.094 -0.185 0.000 1.029 405 V CA -0.116 62.023 62.300 -0.268 0.000 0.874 405 V CB 1.163 32.745 31.823 -0.402 0.000 0.985 405 V HN 1.702 nan 8.190 nan 0.000 0.438 406 V N 2.333 122.296 119.914 0.081 0.000 2.872 406 V HA 0.313 4.414 4.120 -0.031 0.000 0.307 406 V C -0.129 176.044 176.094 0.133 0.000 1.072 406 V CA -0.217 62.184 62.300 0.167 0.000 1.148 406 V CB 0.125 32.121 31.823 0.288 0.000 0.954 406 V HN 0.614 nan 8.190 nan 0.000 0.490 407 F N 4.681 124.640 119.950 0.013 0.000 2.456 407 F HA 0.539 5.050 4.527 -0.026 0.000 0.358 407 F C 0.937 176.851 175.800 0.190 0.000 1.095 407 F CA 0.556 58.597 58.000 0.069 0.000 1.216 407 F CB 0.939 39.942 39.000 0.006 0.000 1.125 407 F HN 1.021 nan 8.300 nan 0.000 0.549 408 T N 1.595 116.111 114.554 -0.063 0.000 2.938 408 T HA 0.849 5.180 4.350 -0.031 0.000 0.285 408 T C -0.332 174.411 174.700 0.073 0.000 1.028 408 T CA -0.239 61.903 62.100 0.069 0.000 1.005 408 T CB 1.602 70.494 68.868 0.040 0.000 1.157 408 T HN 0.763 nan 8.240 nan 0.000 0.550 409 S N -0.459 115.258 115.700 0.028 0.000 2.757 409 S HA 0.798 5.249 4.470 -0.031 0.000 0.285 409 S C -0.611 173.952 174.600 -0.062 0.000 1.196 409 S CA -0.783 57.389 58.200 -0.046 0.000 0.856 409 S CB 0.765 63.950 63.200 -0.026 0.000 1.212 409 S HN 1.438 nan 8.310 nan 0.000 0.516 410 A N 0.370 123.114 122.820 -0.128 0.000 2.286 410 A HA 0.721 5.022 4.320 -0.031 0.000 0.286 410 A C -0.887 176.734 177.584 0.063 0.000 1.097 410 A CA -0.445 51.576 52.037 -0.027 0.000 0.821 410 A CB -0.040 18.942 19.000 -0.029 0.000 1.076 410 A HN 0.976 nan 8.150 nan 0.000 0.490 411 F N 2.608 122.552 119.950 -0.010 0.000 2.371 411 F HA 0.517 5.023 4.527 -0.036 0.000 0.363 411 F C -2.139 173.697 175.800 0.060 0.000 1.122 411 F CA -2.607 55.392 58.000 -0.002 0.000 1.129 411 F CB 0.875 39.864 39.000 -0.018 0.000 1.173 411 F HN 0.306 nan 8.300 nan 0.000 0.489 412 P HA -0.052 nan 4.420 nan 0.000 0.265 412 P C -0.812 176.314 177.300 -0.290 0.000 1.187 412 P CA 0.034 62.992 63.100 -0.236 0.000 0.766 412 P CB 0.437 31.990 31.700 -0.245 0.000 0.820 413 E N 1.733 121.867 120.200 -0.111 0.000 2.344 413 E HA 0.267 4.598 4.350 -0.031 0.000 0.270 413 E C 0.958 177.501 176.600 -0.096 0.000 1.021 413 E CA 0.521 56.880 56.400 -0.068 0.000 0.887 413 E CB -0.417 29.254 29.700 -0.047 0.000 0.997 413 E HN 0.743 nan 8.360 nan 0.000 0.429 414 G N 2.741 111.503 108.800 -0.063 0.000 2.176 414 G HA2 -0.156 3.785 3.960 -0.031 0.000 0.232 414 G HA3 -0.156 3.785 3.960 -0.031 0.000 0.232 414 G C 0.606 175.458 174.900 -0.081 0.000 0.986 414 G CA -0.116 44.952 45.100 -0.053 0.000 0.643 414 G HN 1.465 nan 8.290 nan 0.000 0.522 415 G N -1.562 107.113 108.800 -0.208 0.000 2.660 415 G HA2 0.442 4.383 3.960 -0.031 0.000 0.247 415 G HA3 0.442 4.383 3.960 -0.031 0.000 0.247 415 G C -0.162 174.511 174.900 -0.378 0.000 1.328 415 G CA 0.984 45.920 45.100 -0.273 0.000 0.884 415 G HN 2.313 nan 8.290 nan 0.000 0.531 416 S N -1.473 114.103 115.700 -0.207 0.000 2.543 416 S HA 0.585 5.036 4.470 -0.031 0.000 0.274 416 S C -0.516 174.057 174.600 -0.044 0.000 1.149 416 S CA 0.489 58.588 58.200 -0.167 0.000 0.866 416 S CB 1.705 64.739 63.200 -0.277 0.000 1.111 416 S HN 0.651 nan 8.310 nan 0.000 0.457 417 D N 2.256 122.630 120.400 -0.043 0.000 2.349 417 D HA 0.209 4.831 4.640 -0.031 0.000 0.214 417 D C 0.282 176.581 176.300 -0.002 0.000 1.063 417 D CA 0.416 54.441 54.000 0.041 0.000 0.847 417 D CB 0.042 40.876 40.800 0.056 0.000 0.933 417 D HN 0.615 nan 8.370 nan 0.000 0.513 418 N N -0.445 118.076 118.700 -0.297 0.000 2.184 418 N HA 0.263 4.984 4.740 -0.031 0.000 0.234 418 N C -0.378 174.397 175.510 -1.225 0.000 1.282 418 N CA -0.009 52.654 53.050 -0.644 0.000 0.877 418 N CB 1.694 40.062 38.487 -0.198 0.000 1.184 418 N HN -0.009 nan 8.380 nan 0.000 0.510 419 I N 0.326 120.299 120.570 -0.994 0.000 2.722 419 I HA 0.353 4.504 4.170 -0.031 0.000 0.295 419 I C -0.702 175.399 176.117 -0.026 0.000 1.161 419 I CA -0.992 60.017 61.300 -0.487 0.000 1.032 419 I CB 2.223 40.162 38.000 -0.101 0.000 1.244 419 I HN -0.042 nan 8.210 nan 0.000 0.421 420 S N 3.699 119.531 115.700 0.221 0.000 2.593 420 S HA 0.521 4.972 4.470 -0.031 0.000 0.297 420 S C -0.742 173.834 174.600 -0.039 0.000 1.112 420 S CA -0.811 57.551 58.200 0.271 0.000 1.043 420 S CB 2.096 65.525 63.200 0.381 0.000 1.054 420 S HN 0.669 nan 8.310 nan 0.000 0.516 421 Q N 0.854 120.354 119.800 -0.502 0.000 2.274 421 Q HA 0.447 4.768 4.340 -0.031 0.000 0.256 421 Q C -0.116 175.671 176.000 -0.355 0.000 0.927 421 Q CA -0.483 54.846 55.803 -0.789 0.000 0.939 421 Q CB 0.820 28.701 28.738 -1.428 0.000 1.201 421 Q HN 0.854 nan 8.270 nan 0.000 0.426 422 L N 2.133 123.176 121.223 -0.301 0.000 2.425 422 L HA 0.481 4.802 4.340 -0.031 0.000 0.215 422 L C 0.428 177.147 176.870 -0.252 0.000 1.065 422 L CA 0.185 54.880 54.840 -0.242 0.000 0.842 422 L CB 0.488 42.320 42.059 -0.378 0.000 1.033 422 L HN 0.613 nan 8.230 nan 0.000 0.474 423 A N -1.279 121.359 122.820 -0.304 0.000 2.581 423 A HA 0.631 4.932 4.320 -0.031 0.000 0.290 423 A C -2.711 174.788 177.584 -0.142 0.000 1.119 423 A CA -1.088 50.836 52.037 -0.187 0.000 0.670 423 A CB 0.340 19.210 19.000 -0.215 0.000 1.280 423 A HN -0.240 nan 8.150 nan 0.000 0.425 424 P HA 0.261 nan 4.420 nan 0.000 0.257 424 P C 0.991 178.294 177.300 0.005 0.000 1.189 424 P CA 2.437 65.526 63.100 -0.017 0.000 0.780 424 P CB 0.224 31.931 31.700 0.012 0.000 0.772 425 G N 2.425 111.255 108.800 0.050 0.000 2.189 425 G HA2 -0.283 3.659 3.960 -0.031 0.000 0.267 425 G HA3 -0.283 3.659 3.960 -0.031 0.000 0.267 425 G C -0.128 174.821 174.900 0.083 0.000 0.975 425 G CA -0.124 45.043 45.100 0.111 0.000 0.644 425 G HN 0.560 nan 8.290 nan 0.000 0.537 426 L N 1.771 122.975 121.223 -0.032 0.000 2.264 426 L HA 0.782 5.103 4.340 -0.031 0.000 0.289 426 L C 0.717 177.522 176.870 -0.109 0.000 1.044 426 L CA 0.145 54.906 54.840 -0.132 0.000 0.807 426 L CB 1.079 42.921 42.059 -0.362 0.000 1.192 426 L HN 0.357 nan 8.230 nan 0.000 0.425 427 G N 3.420 112.221 108.800 0.001 0.000 2.489 427 G HA2 0.760 4.701 3.960 -0.031 0.000 0.327 427 G HA3 0.760 4.701 3.960 -0.031 0.000 0.327 427 G C -1.553 173.370 174.900 0.037 0.000 1.189 427 G CA -0.337 44.822 45.100 0.099 0.000 0.962 427 G HN 0.941 nan 8.290 nan 0.000 0.486 428 A N 1.435 124.316 122.820 0.101 0.000 2.522 428 A HA 0.745 5.046 4.320 -0.031 0.000 0.285 428 A C -2.823 174.895 177.584 0.224 0.000 1.198 428 A CA -1.318 50.815 52.037 0.159 0.000 0.742 428 A CB 1.615 20.696 19.000 0.134 0.000 1.176 428 A HN 0.402 nan 8.150 nan 0.000 0.444 429 P HA 0.199 nan 4.420 nan 0.000 0.268 429 P C -0.387 177.158 177.300 0.408 0.000 1.204 429 P CA 0.207 63.452 63.100 0.242 0.000 0.768 429 P CB 0.180 32.082 31.700 0.337 0.000 0.842 430 F N 3.667 123.704 119.950 0.145 0.000 2.553 430 F HA 0.201 4.711 4.527 -0.029 0.000 0.356 430 F C 1.636 177.324 175.800 -0.187 0.000 1.142 430 F CA 0.491 58.456 58.000 -0.059 0.000 1.322 430 F CB -0.471 38.523 39.000 -0.011 0.000 1.126 430 F HN 0.494 nan 8.300 nan 0.000 0.599 431 H N -0.166 118.703 119.070 -0.335 0.000 2.902 431 H HA 0.506 5.043 4.556 -0.031 0.000 0.297 431 H C -1.774 173.221 175.328 -0.555 0.000 1.406 431 H CA -1.120 54.539 56.048 -0.649 0.000 1.134 431 H CB 1.392 30.306 29.762 -1.414 0.000 1.833 431 H HN 0.583 nan 8.280 nan 0.000 0.527 432 Q N 0.083 119.573 119.800 -0.518 0.000 2.458 432 Q HA 0.381 4.703 4.340 -0.031 0.000 0.282 432 Q C -1.091 174.595 176.000 -0.522 0.000 1.106 432 Q CA -1.000 54.530 55.803 -0.455 0.000 0.814 432 Q CB 2.853 31.404 28.738 -0.312 0.000 1.425 432 Q HN 0.530 nan 8.270 nan 0.000 0.437 433 H N 1.368 120.319 119.070 -0.198 0.000 2.887 433 H HA 0.443 4.980 4.556 -0.032 0.000 0.300 433 H C -0.937 174.137 175.328 -0.423 0.000 1.038 433 H CA -0.196 55.665 56.048 -0.311 0.000 1.352 433 H CB 0.609 30.272 29.762 -0.166 0.000 1.473 433 H HN 0.449 nan 8.280 nan 0.000 0.503 434 I N 4.009 124.296 120.570 -0.471 0.000 2.406 434 I HA 0.257 4.408 4.170 -0.031 0.000 0.290 434 I C -0.536 175.248 176.117 -0.555 0.000 0.999 434 I CA -0.616 60.443 61.300 -0.402 0.000 1.124 434 I CB 1.117 38.941 38.000 -0.294 0.000 1.289 434 I HN 0.180 nan 8.210 nan 0.000 0.441 435 F N 3.069 122.721 119.950 -0.496 0.000 2.483 435 F HA 0.554 5.062 4.527 -0.031 0.000 0.329 435 F C 0.570 176.140 175.800 -0.385 0.000 1.064 435 F CA -0.881 56.781 58.000 -0.564 0.000 0.986 435 F CB 1.790 40.133 39.000 -1.095 0.000 1.218 435 F HN 0.259 nan 8.300 nan 0.000 0.484 436 S N 1.070 116.782 115.700 0.019 0.000 2.707 436 S HA 0.773 5.224 4.470 -0.031 0.000 0.303 436 S C -0.966 173.725 174.600 0.152 0.000 1.132 436 S CA -0.538 57.714 58.200 0.087 0.000 1.046 436 S CB 0.534 63.617 63.200 -0.195 0.000 1.004 436 S HN 0.841 nan 8.310 nan 0.000 0.483 437 A N 4.955 127.924 122.820 0.248 0.000 2.260 437 A HA 0.597 4.898 4.320 -0.031 0.000 0.308 437 A C 0.159 177.769 177.584 0.042 0.000 1.254 437 A CA -0.658 51.488 52.037 0.182 0.000 0.874 437 A CB 0.329 19.407 19.000 0.129 0.000 1.153 437 A HN 0.847 nan 8.150 nan 0.000 0.527 438 R N 3.520 123.979 120.500 -0.068 0.000 2.207 438 R HA 0.523 4.844 4.340 -0.031 0.000 0.334 438 R C -1.519 174.588 176.300 -0.322 0.000 1.013 438 R CA -0.316 55.529 56.100 -0.424 0.000 0.858 438 R CB 0.261 30.177 30.300 -0.640 0.000 1.094 438 R HN 0.716 nan 8.270 nan 0.000 0.457 439 L N 4.501 125.524 121.223 -0.333 0.000 2.324 439 L HA 0.253 4.574 4.340 -0.031 0.000 0.274 439 L C -0.461 176.285 176.870 -0.207 0.000 1.012 439 L CA -0.880 53.846 54.840 -0.190 0.000 0.859 439 L CB 1.523 43.537 42.059 -0.075 0.000 1.224 439 L HN 0.538 nan 8.230 nan 0.000 0.429 440 D N 5.018 125.311 120.400 -0.179 0.000 2.383 440 D HA 0.154 4.775 4.640 -0.031 0.000 0.245 440 D C 0.217 176.502 176.300 -0.025 0.000 1.263 440 D CA -0.247 53.703 54.000 -0.083 0.000 0.936 440 D CB 0.594 41.369 40.800 -0.041 0.000 1.053 440 D HN 0.155 nan 8.370 nan 0.000 0.507 441 M N 2.211 121.812 119.600 0.000 0.000 2.245 441 M HA 0.337 4.798 4.480 -0.031 0.000 0.330 441 M C 0.471 176.791 176.300 0.033 0.000 1.098 441 M CA -0.330 54.972 55.300 0.004 0.000 1.172 441 M CB 0.710 33.325 32.600 0.024 0.000 1.467 441 M HN 0.489 nan 8.290 nan 0.000 0.454 442 A N 3.257 126.034 122.820 -0.070 0.000 3.368 442 A HA 0.360 4.661 4.320 -0.031 0.000 0.211 442 A C -0.379 177.115 177.584 -0.150 0.000 1.004 442 A CA -0.552 51.362 52.037 -0.204 0.000 1.059 442 A CB 0.089 18.821 19.000 -0.447 0.000 1.298 442 A HN 0.602 nan 8.150 nan 0.000 0.613 443 I N 1.688 122.232 120.570 -0.045 0.000 2.691 443 I HA 0.037 4.188 4.170 -0.031 0.000 0.288 443 I C 0.464 176.639 176.117 0.097 0.000 1.143 443 I CA 0.927 62.264 61.300 0.061 0.000 1.364 443 I CB -1.011 37.065 38.000 0.127 0.000 1.435 443 I HN 0.484 nan 8.210 nan 0.000 0.551 444 D N 4.888 125.366 120.400 0.130 0.000 2.911 444 D HA -0.164 4.457 4.640 -0.031 0.000 0.227 444 D C 0.610 176.875 176.300 -0.058 0.000 1.164 444 D CA 1.692 55.710 54.000 0.030 0.000 0.782 444 D CB -0.738 40.047 40.800 -0.025 0.000 1.094 444 D HN 1.097 nan 8.370 nan 0.000 0.425 445 G N -2.435 106.280 108.800 -0.141 0.000 2.353 445 G HA2 0.001 3.942 3.960 -0.031 0.000 0.424 445 G HA3 0.001 3.942 3.960 -0.031 0.000 0.424 445 G C 0.161 174.919 174.900 -0.238 0.000 1.320 445 G CA -0.393 44.571 45.100 -0.227 0.000 0.995 445 G HN 0.004 nan 8.290 nan 0.000 0.580 446 F N 0.724 120.665 119.950 -0.015 0.000 2.710 446 F HA 0.207 4.715 4.527 -0.032 0.000 0.298 446 F C 2.286 178.084 175.800 -0.003 0.000 1.137 446 F CA 1.198 59.182 58.000 -0.025 0.000 1.444 446 F CB 0.232 39.200 39.000 -0.053 0.000 1.111 446 F HN 0.282 nan 8.300 nan 0.000 0.580 447 T N 2.349 116.997 114.554 0.156 0.000 2.978 447 T HA 0.146 4.477 4.350 -0.031 0.000 0.278 447 T C -0.059 174.696 174.700 0.091 0.000 0.945 447 T CA -0.016 62.150 62.100 0.110 0.000 1.070 447 T CB -0.750 68.164 68.868 0.077 0.000 0.948 447 T HN 0.211 nan 8.240 nan 0.000 0.617 448 N N 2.082 120.844 118.700 0.103 0.000 2.453 448 N HA 0.781 5.502 4.740 -0.031 0.000 0.290 448 N C -0.415 175.150 175.510 0.092 0.000 1.250 448 N CA -1.352 51.754 53.050 0.094 0.000 0.815 448 N CB 2.006 40.553 38.487 0.098 0.000 1.381 448 N HN 0.499 nan 8.380 nan 0.000 0.510 449 R N -1.107 119.448 120.500 0.091 0.000 2.710 449 R HA 0.630 4.951 4.340 -0.031 0.000 0.270 449 R C -2.104 174.258 176.300 0.103 0.000 1.021 449 R CA -0.802 55.353 56.100 0.092 0.000 0.889 449 R CB 0.963 31.310 30.300 0.079 0.000 1.243 449 R HN 0.194 nan 8.270 nan 0.000 0.464 450 V N 1.209 121.190 119.914 0.112 0.000 2.555 450 V HA 0.442 4.543 4.120 -0.031 0.000 0.302 450 V C -0.520 175.661 176.094 0.145 0.000 1.038 450 V CA -0.706 61.677 62.300 0.138 0.000 0.887 450 V CB 1.795 33.706 31.823 0.148 0.000 0.991 450 V HN 0.771 nan 8.190 nan 0.000 0.434 451 E N 2.282 122.575 120.200 0.155 0.000 2.222 451 E HA 0.440 4.771 4.350 -0.031 0.000 0.267 451 E C -0.983 175.705 176.600 0.147 0.000 0.884 451 E CA -0.670 55.806 56.400 0.127 0.000 0.764 451 E CB 2.858 32.602 29.700 0.073 0.000 1.169 451 E HN 0.720 nan 8.360 nan 0.000 0.413 452 E N 2.522 122.793 120.200 0.117 0.000 2.200 452 E HA 0.080 4.411 4.350 -0.031 0.000 0.283 452 E C -1.023 175.500 176.600 -0.129 0.000 1.015 452 E CA -0.268 56.115 56.400 -0.028 0.000 0.819 452 E CB 0.953 30.699 29.700 0.077 0.000 1.081 452 E HN 0.408 nan 8.360 nan 0.000 0.397 453 E N 4.274 124.322 120.200 -0.254 0.000 2.145 453 E HA 0.193 4.524 4.350 -0.031 0.000 0.270 453 E C -1.293 175.183 176.600 -0.207 0.000 0.906 453 E CA -0.787 55.508 56.400 -0.175 0.000 0.761 453 E CB 0.981 30.598 29.700 -0.138 0.000 1.116 453 E HN 0.392 nan 8.360 nan 0.000 0.408 454 D N 2.528 122.853 120.400 -0.125 0.000 2.342 454 D HA 0.275 4.897 4.640 -0.031 0.000 0.243 454 D C -0.553 175.717 176.300 -0.051 0.000 1.019 454 D CA -0.545 53.392 54.000 -0.105 0.000 0.864 454 D CB 2.183 42.937 40.800 -0.078 0.000 1.315 454 D HN 0.163 nan 8.370 nan 0.000 0.468 455 V N 1.266 121.154 119.914 -0.043 0.000 2.775 455 V HA 0.258 4.360 4.120 -0.031 0.000 0.299 455 V C 0.171 176.271 176.094 0.011 0.000 1.062 455 V CA -0.314 61.986 62.300 -0.001 0.000 1.063 455 V CB 1.496 33.295 31.823 -0.039 0.000 0.994 455 V HN 0.264 nan 8.190 nan 0.000 0.483 456 V N 5.714 125.663 119.914 0.058 0.000 2.407 456 V HA 0.438 4.539 4.120 -0.031 0.000 0.291 456 V C 0.187 176.332 176.094 0.084 0.000 1.018 456 V CA -0.794 61.536 62.300 0.051 0.000 0.842 456 V CB 1.550 33.400 31.823 0.045 0.000 0.996 456 V HN 0.817 nan 8.190 nan 0.000 0.426 457 R N 3.397 123.927 120.500 0.051 0.000 2.531 457 R HA 0.560 4.882 4.340 -0.031 0.000 0.273 457 R C -0.511 175.824 176.300 0.060 0.000 1.070 457 R CA -0.460 55.677 56.100 0.062 0.000 1.112 457 R CB 1.052 31.365 30.300 0.022 0.000 1.049 457 R HN 0.667 nan 8.270 nan 0.000 0.508 458 Q N 0.349 120.192 119.800 0.071 0.000 2.377 458 Q HA 0.304 4.625 4.340 -0.031 0.000 0.271 458 Q C -0.808 175.215 176.000 0.038 0.000 1.077 458 Q CA -0.708 55.124 55.803 0.049 0.000 0.820 458 Q CB 2.633 31.401 28.738 0.049 0.000 1.347 458 Q HN 0.471 nan 8.270 nan 0.000 0.444 459 T N 1.854 116.423 114.554 0.025 0.000 2.889 459 T HA 0.279 4.610 4.350 -0.031 0.000 0.291 459 T C 0.014 174.724 174.700 0.018 0.000 0.995 459 T CA -0.462 61.650 62.100 0.019 0.000 1.092 459 T CB 0.578 69.454 68.868 0.014 0.000 0.954 459 T HN 0.461 nan 8.240 nan 0.000 0.506 460 M N 2.885 122.495 119.600 0.016 0.000 2.238 460 M HA 0.446 4.907 4.480 -0.031 0.000 0.350 460 M C 0.489 176.795 176.300 0.010 0.000 1.321 460 M CA 0.823 56.132 55.300 0.014 0.000 1.097 460 M CB -0.485 32.122 32.600 0.013 0.000 1.713 460 M HN 0.934 nan 8.290 nan 0.000 0.455 461 G N 4.625 113.429 108.800 0.008 0.000 2.367 461 G HA2 0.211 4.152 3.960 -0.031 0.000 0.272 461 G HA3 0.211 4.152 3.960 -0.031 0.000 0.272 461 G C -3.383 171.519 174.900 0.003 0.000 1.271 461 G CA -1.059 44.044 45.100 0.005 0.000 0.893 461 G HN 0.407 nan 8.290 nan 0.000 0.485 462 P HA 0.334 nan 4.420 nan 0.000 0.263 462 P C 0.932 178.232 177.300 -0.001 0.000 1.195 462 P CA 2.254 65.354 63.100 0.000 0.000 0.762 462 P CB 0.763 32.463 31.700 0.000 0.000 0.799 463 G N 2.868 111.666 108.800 -0.003 0.000 2.199 463 G HA2 -0.269 3.672 3.960 -0.031 0.000 0.254 463 G HA3 -0.269 3.672 3.960 -0.031 0.000 0.254 463 G C 0.500 175.396 174.900 -0.006 0.000 0.982 463 G CA 0.300 45.396 45.100 -0.006 0.000 0.632 463 G HN 0.656 nan 8.290 nan 0.000 0.529 464 N N -0.081 118.617 118.700 -0.002 0.000 2.605 464 N HA 0.324 5.045 4.740 -0.031 0.000 0.265 464 N C 0.978 176.490 175.510 0.004 0.000 1.625 464 N CA 0.448 53.498 53.050 0.000 0.000 0.862 464 N CB 0.403 38.893 38.487 0.005 0.000 1.415 464 N HN 0.097 nan 8.380 nan 0.000 0.513 465 E N 0.163 120.364 120.200 0.002 0.000 2.171 465 E HA -0.065 4.266 4.350 -0.031 0.000 0.197 465 E C 1.172 177.776 176.600 0.006 0.000 0.997 465 E CA 1.316 57.718 56.400 0.003 0.000 0.810 465 E CB 0.089 29.790 29.700 0.001 0.000 0.738 465 E HN 0.408 nan 8.360 nan 0.000 0.467 466 R N -0.969 119.535 120.500 0.007 0.000 2.317 466 R HA 0.162 4.484 4.340 -0.031 0.000 0.208 466 R C 0.775 177.084 176.300 0.016 0.000 0.914 466 R CA 0.499 56.605 56.100 0.010 0.000 1.060 466 R CB 0.355 30.660 30.300 0.009 0.000 1.015 466 R HN 0.232 nan 8.270 nan 0.000 0.498 467 G N 2.428 111.239 108.800 0.018 0.000 2.273 467 G HA2 -0.295 3.646 3.960 -0.031 0.000 0.280 467 G HA3 -0.295 3.646 3.960 -0.031 0.000 0.280 467 G C 0.407 175.331 174.900 0.042 0.000 1.047 467 G CA 0.729 45.845 45.100 0.027 0.000 0.869 467 G HN 0.578 nan 8.290 nan 0.000 0.502 468 N N -0.614 118.112 118.700 0.043 0.000 2.294 468 N HA 0.368 5.089 4.740 -0.031 0.000 0.186 468 N C 1.100 176.668 175.510 0.097 0.000 1.107 468 N CA 0.688 53.779 53.050 0.069 0.000 0.884 468 N CB 0.112 38.626 38.487 0.046 0.000 1.030 468 N HN 0.951 nan 8.380 nan 0.000 0.482 469 A N 0.960 123.810 122.820 0.050 0.000 2.445 469 A HA 0.468 4.770 4.320 -0.031 0.000 0.242 469 A C -0.462 177.198 177.584 0.127 0.000 1.075 469 A CA -0.232 51.810 52.037 0.009 0.000 0.777 469 A CB -0.290 18.696 19.000 -0.023 0.000 1.013 469 A HN 0.464 nan 8.150 nan 0.000 0.493 470 F N -0.121 119.824 119.950 -0.008 0.000 2.654 470 F HA 0.796 5.304 4.527 -0.031 0.000 0.308 470 F C -0.315 175.479 175.800 -0.011 0.000 1.108 470 F CA -0.382 57.612 58.000 -0.010 0.000 0.957 470 F CB 0.929 39.923 39.000 -0.011 0.000 1.309 470 F HN 0.634 nan 8.300 nan 0.000 0.446 471 S N 0.878 116.712 115.700 0.224 0.000 3.331 471 S HA 0.904 5.355 4.470 -0.031 0.000 0.316 471 S C -1.438 173.253 174.600 0.151 0.000 1.104 471 S CA -0.596 57.661 58.200 0.094 0.000 0.977 471 S CB 1.465 64.680 63.200 0.024 0.000 1.370 471 S HN 1.150 nan 8.310 nan 0.000 0.731 472 R N 0.193 120.734 120.500 0.069 0.000 2.716 472 R HA 0.632 4.953 4.340 -0.031 0.000 0.271 472 R C -2.029 174.281 176.300 0.017 0.000 1.028 472 R CA -1.064 55.064 56.100 0.047 0.000 0.883 472 R CB 1.025 31.352 30.300 0.045 0.000 1.250 472 R HN 0.688 nan 8.270 nan 0.000 0.465 473 K N 1.098 121.499 120.400 0.001 0.000 2.477 473 K HA 0.598 4.899 4.320 -0.031 0.000 0.255 473 K C -1.181 175.410 176.600 -0.015 0.000 0.952 473 K CA -1.203 55.081 56.287 -0.003 0.000 0.826 473 K CB 2.800 35.299 32.500 -0.001 0.000 1.331 473 K HN 0.611 nan 8.250 nan 0.000 0.437 474 R N 0.943 121.440 120.500 -0.005 0.000 2.561 474 R HA 0.394 4.715 4.340 -0.031 0.000 0.297 474 R C -1.157 175.150 176.300 0.012 0.000 0.969 474 R CA -0.919 55.179 56.100 -0.003 0.000 0.879 474 R CB 2.572 32.874 30.300 0.004 0.000 1.178 474 R HN 0.664 nan 8.270 nan 0.000 0.445 475 T N 2.192 116.759 114.554 0.022 0.000 2.809 475 T HA 0.230 4.561 4.350 -0.031 0.000 0.284 475 T C -0.058 174.677 174.700 0.060 0.000 0.992 475 T CA -0.595 61.527 62.100 0.037 0.000 0.957 475 T CB 1.617 70.508 68.868 0.038 0.000 0.942 475 T HN 0.142 nan 8.240 nan 0.000 0.439 476 V N 5.028 124.975 119.914 0.056 0.000 2.572 476 V HA 0.220 4.321 4.120 -0.031 0.000 0.291 476 V C 0.348 176.486 176.094 0.073 0.000 1.039 476 V CA -0.477 61.863 62.300 0.067 0.000 1.055 476 V CB 0.506 32.362 31.823 0.056 0.000 0.969 476 V HN 0.714 nan 8.190 nan 0.000 0.482 477 L N 5.510 126.787 121.223 0.090 0.000 2.268 477 L HA 0.267 4.588 4.340 -0.031 0.000 0.289 477 L C 1.467 178.382 176.870 0.075 0.000 1.064 477 L CA -0.133 54.758 54.840 0.085 0.000 0.824 477 L CB 1.018 43.138 42.059 0.102 0.000 1.202 477 L HN 0.917 nan 8.230 nan 0.000 0.433 478 T N -0.473 114.118 114.554 0.062 0.000 3.044 478 T HA 0.170 4.501 4.350 -0.031 0.000 0.255 478 T C 0.977 175.711 174.700 0.057 0.000 1.073 478 T CA 0.094 62.227 62.100 0.057 0.000 1.125 478 T CB 0.370 69.266 68.868 0.046 0.000 0.908 478 T HN 0.326 nan 8.240 nan 0.000 0.480 479 R N 0.557 121.091 120.500 0.056 0.000 2.795 479 R HA 0.427 4.748 4.340 -0.031 0.000 0.275 479 R C 0.546 176.883 176.300 0.062 0.000 0.981 479 R CA -0.533 55.600 56.100 0.056 0.000 0.917 479 R CB 1.610 31.937 30.300 0.045 0.000 1.202 479 R HN 0.230 nan 8.270 nan 0.000 0.469 480 E N 0.384 120.627 120.200 0.072 0.000 2.160 480 E HA -0.179 4.152 4.350 -0.031 0.000 0.195 480 E C 1.345 177.985 176.600 0.067 0.000 0.991 480 E CA 1.926 58.379 56.400 0.087 0.000 0.810 480 E CB 0.155 29.916 29.700 0.102 0.000 0.742 480 E HN 0.612 nan 8.360 nan 0.000 0.466 481 S N 1.066 116.796 115.700 0.050 0.000 2.469 481 S HA -0.170 4.281 4.470 -0.031 0.000 0.238 481 S C 1.496 176.104 174.600 0.014 0.000 0.998 481 S CA 1.245 59.465 58.200 0.033 0.000 0.957 481 S CB -0.285 62.932 63.200 0.029 0.000 0.764 481 S HN 0.457 nan 8.310 nan 0.000 0.514 482 E N 0.065 120.278 120.200 0.021 0.000 2.624 482 E HA 0.545 4.876 4.350 -0.031 0.000 0.210 482 E C 0.677 177.284 176.600 0.011 0.000 0.997 482 E CA 0.105 56.512 56.400 0.012 0.000 0.999 482 E CB 0.473 30.189 29.700 0.026 0.000 1.040 482 E HN 0.462 nan 8.360 nan 0.000 0.469 483 A N 1.007 123.832 122.820 0.008 0.000 2.610 483 A HA 0.346 4.647 4.320 -0.031 0.000 0.286 483 A C 0.024 177.554 177.584 -0.090 0.000 1.306 483 A CA -0.261 51.781 52.037 0.007 0.000 0.942 483 A CB 0.300 19.344 19.000 0.073 0.000 1.112 483 A HN 0.115 nan 8.150 nan 0.000 0.527 484 V N 2.653 122.441 119.914 -0.210 0.000 2.293 484 V HA 0.404 4.505 4.120 -0.031 0.000 0.275 484 V C -0.494 175.370 176.094 -0.383 0.000 1.021 484 V CA -0.733 61.245 62.300 -0.536 0.000 0.815 484 V CB 0.657 32.065 31.823 -0.690 0.000 1.025 484 V HN 0.490 nan 8.190 nan 0.000 0.448 485 R N 3.315 123.603 120.500 -0.353 0.000 2.787 485 R HA 0.668 4.990 4.340 -0.031 0.000 0.271 485 R C -0.154 176.095 176.300 -0.085 0.000 0.993 485 R CA -0.718 55.310 56.100 -0.121 0.000 0.993 485 R CB 2.122 32.463 30.300 0.069 0.000 1.155 485 R HN 0.883 nan 8.270 nan 0.000 0.486 486 E N 0.309 120.566 120.200 0.095 0.000 2.263 486 E HA 0.709 5.040 4.350 -0.031 0.000 0.264 486 E C -0.849 175.955 176.600 0.341 0.000 0.923 486 E CA -1.107 55.376 56.400 0.139 0.000 0.802 486 E CB 1.740 31.481 29.700 0.068 0.000 1.228 486 E HN 0.537 nan 8.360 nan 0.000 0.417 487 A N 1.308 124.329 122.820 0.336 0.000 2.313 487 A HA 0.281 4.583 4.320 -0.031 0.000 0.261 487 A C -0.282 177.404 177.584 0.169 0.000 1.090 487 A CA -0.158 52.098 52.037 0.364 0.000 0.807 487 A CB 0.423 19.627 19.000 0.340 0.000 1.055 487 A HN 0.715 nan 8.150 nan 0.000 0.492 488 D N 0.090 120.541 120.400 0.084 0.000 2.527 488 D HA 0.401 5.022 4.640 -0.031 0.000 0.242 488 D C 0.721 177.022 176.300 0.001 0.000 1.285 488 D CA 0.283 54.301 54.000 0.030 0.000 0.886 488 D CB 0.668 41.468 40.800 -0.001 0.000 1.402 488 D HN 0.478 nan 8.370 nan 0.000 0.528 489 A N 2.826 125.665 122.820 0.031 0.000 1.940 489 A HA -0.184 4.117 4.320 -0.031 0.000 0.219 489 A C 2.075 179.655 177.584 -0.006 0.000 1.176 489 A CA 1.396 53.446 52.037 0.022 0.000 0.631 489 A CB -0.264 18.764 19.000 0.046 0.000 0.814 489 A HN 0.506 nan 8.150 nan 0.000 0.446 490 R N -0.225 120.271 120.500 -0.007 0.000 2.127 490 R HA -0.133 4.188 4.340 -0.031 0.000 0.238 490 R C 1.592 177.869 176.300 -0.039 0.000 1.134 490 R CA 1.916 58.004 56.100 -0.020 0.000 0.975 490 R CB -0.334 29.958 30.300 -0.013 0.000 0.865 490 R HN 0.624 nan 8.270 nan 0.000 0.447 491 T N -3.487 111.041 114.554 -0.043 0.000 3.186 491 T HA 0.235 4.566 4.350 -0.031 0.000 0.257 491 T C 0.853 175.507 174.700 -0.077 0.000 1.029 491 T CA 0.199 62.264 62.100 -0.058 0.000 0.916 491 T CB 0.759 69.595 68.868 -0.053 0.000 1.041 491 T HN 0.352 nan 8.240 nan 0.000 0.562 492 G N 2.423 111.181 108.800 -0.070 0.000 2.341 492 G HA2 -0.347 3.594 3.960 -0.031 0.000 0.292 492 G HA3 -0.347 3.594 3.960 -0.031 0.000 0.292 492 G C 0.044 174.864 174.900 -0.132 0.000 1.021 492 G CA 0.255 45.312 45.100 -0.072 0.000 0.905 492 G HN 0.909 nan 8.290 nan 0.000 0.508 493 R N 0.539 120.922 120.500 -0.196 0.000 2.522 493 R HA 0.432 4.753 4.340 -0.031 0.000 0.284 493 R C 0.864 176.793 176.300 -0.618 0.000 1.032 493 R CA 0.949 56.809 56.100 -0.400 0.000 1.049 493 R CB 0.239 30.286 30.300 -0.423 0.000 0.956 493 R HN 0.461 nan 8.270 nan 0.000 0.422 494 T N 0.656 114.763 114.554 -0.745 0.000 2.838 494 T HA 0.537 4.868 4.350 -0.031 0.000 0.292 494 T C -1.011 173.167 174.700 -0.870 0.000 1.113 494 T CA -0.958 60.711 62.100 -0.719 0.000 1.008 494 T CB 1.260 69.869 68.868 -0.432 0.000 1.259 494 T HN 0.559 nan 8.240 nan 0.000 0.520 495 W N 0.579 121.820 121.300 -0.099 0.000 2.839 495 W HA 0.598 5.239 4.660 -0.031 0.000 0.334 495 W C -1.142 175.350 176.519 -0.044 0.000 1.064 495 W CA -1.172 56.142 57.345 -0.051 0.000 1.236 495 W CB 1.684 31.123 29.460 -0.034 0.000 1.405 495 W HN 0.588 nan 8.180 nan 0.000 0.478 496 I N 4.383 125.046 120.570 0.156 0.000 2.354 496 I HA 0.308 4.459 4.170 -0.031 0.000 0.292 496 I C -0.372 175.831 176.117 0.144 0.000 0.989 496 I CA -0.998 60.372 61.300 0.116 0.000 1.188 496 I CB 1.380 39.418 38.000 0.063 0.000 1.342 496 I HN 0.079 nan 8.210 nan 0.000 0.457 497 I N 6.049 126.709 120.570 0.151 0.000 2.321 497 I HA 0.311 4.462 4.170 -0.031 0.000 0.291 497 I C 0.332 176.535 176.117 0.143 0.000 0.998 497 I CA 0.276 61.659 61.300 0.138 0.000 1.227 497 I CB 1.354 39.428 38.000 0.123 0.000 1.368 497 I HN 0.607 nan 8.210 nan 0.000 0.466 498 S N 4.070 119.842 115.700 0.120 0.000 2.704 498 S HA 0.593 5.044 4.470 -0.031 0.000 0.296 498 S C -0.800 173.859 174.600 0.097 0.000 1.138 498 S CA -0.927 57.343 58.200 0.118 0.000 0.875 498 S CB 1.981 65.237 63.200 0.093 0.000 1.151 498 S HN 0.507 nan 8.310 nan 0.000 0.500 499 N N 1.809 120.559 118.700 0.084 0.000 2.518 499 N HA 0.378 5.099 4.740 -0.031 0.000 0.254 499 N C -2.008 173.525 175.510 0.039 0.000 0.979 499 N CA -2.280 50.806 53.050 0.059 0.000 0.930 499 N CB 1.662 40.177 38.487 0.047 0.000 1.152 499 N HN 0.411 nan 8.380 nan 0.000 0.505 500 P HA -0.048 nan 4.420 nan 0.000 0.228 500 P C 0.064 177.374 177.300 0.017 0.000 1.151 500 P CA 1.096 64.213 63.100 0.029 0.000 0.770 500 P CB 0.546 32.267 31.700 0.035 0.000 0.786 501 E N -0.913 119.295 120.200 0.015 0.000 2.498 501 E HA 0.134 4.465 4.350 -0.031 0.000 0.203 501 E C 0.177 176.770 176.600 -0.012 0.000 1.013 501 E CA -0.047 56.356 56.400 0.005 0.000 0.927 501 E CB 0.453 30.160 29.700 0.012 0.000 1.012 501 E HN 0.004 nan 8.360 nan 0.000 0.482 502 S N 1.210 116.897 115.700 -0.021 0.000 2.707 502 S HA 0.328 4.780 4.470 -0.031 0.000 0.312 502 S C -0.923 173.638 174.600 -0.065 0.000 1.116 502 S CA -0.691 57.477 58.200 -0.053 0.000 1.078 502 S CB 0.464 63.621 63.200 -0.072 0.000 0.997 502 S HN -0.038 nan 8.310 nan 0.000 0.477 503 K N 2.865 123.225 120.400 -0.068 0.000 2.208 503 K HA 0.439 4.741 4.320 -0.031 0.000 0.247 503 K C -0.066 176.479 176.600 -0.092 0.000 0.953 503 K CA -1.045 55.203 56.287 -0.066 0.000 0.837 503 K CB 1.018 33.495 32.500 -0.040 0.000 1.131 503 K HN 0.748 nan 8.250 nan 0.000 0.431 504 N N 0.324 118.971 118.700 -0.088 0.000 2.366 504 N HA 0.023 4.744 4.740 -0.031 0.000 0.277 504 N C 0.682 176.158 175.510 -0.058 0.000 1.275 504 N CA -0.467 52.527 53.050 -0.093 0.000 0.964 504 N CB 0.277 38.715 38.487 -0.081 0.000 1.167 504 N HN 0.572 nan 8.380 nan 0.000 0.568 505 R N -0.756 119.717 120.500 -0.045 0.000 2.293 505 R HA 0.024 4.346 4.340 -0.031 0.000 0.219 505 R C 0.484 176.770 176.300 -0.023 0.000 1.091 505 R CA 1.053 57.135 56.100 -0.031 0.000 1.004 505 R CB -0.701 29.586 30.300 -0.022 0.000 0.865 505 R HN 0.555 nan 8.270 nan 0.000 0.469 506 L N 1.043 122.252 121.223 -0.023 0.000 2.653 506 L HA 0.161 4.482 4.340 -0.031 0.000 0.231 506 L C 0.235 177.094 176.870 -0.018 0.000 1.153 506 L CA -0.059 54.770 54.840 -0.017 0.000 0.933 506 L CB -0.596 41.455 42.059 -0.014 0.000 1.175 506 L HN 0.447 nan 8.230 nan 0.000 0.473 507 N N 1.241 119.928 118.700 -0.022 0.000 2.747 507 N HA -0.152 4.569 4.740 -0.031 0.000 0.249 507 N C -0.420 175.080 175.510 -0.017 0.000 1.107 507 N CA 0.161 53.200 53.050 -0.020 0.000 0.707 507 N CB -0.006 38.472 38.487 -0.015 0.000 1.054 507 N HN 0.311 nan 8.380 nan 0.000 0.555 508 E N 0.253 120.441 120.200 -0.020 0.000 2.199 508 E HA 0.403 4.735 4.350 -0.031 0.000 0.269 508 E C -2.492 174.098 176.600 -0.016 0.000 0.899 508 E CA -1.778 54.614 56.400 -0.013 0.000 0.772 508 E CB 1.541 31.236 29.700 -0.008 0.000 1.155 508 E HN 0.130 nan 8.360 nan 0.000 0.408 509 P HA -0.064 nan 4.420 nan 0.000 0.264 509 P C -0.057 177.248 177.300 0.009 0.000 1.193 509 P CA -0.054 63.047 63.100 0.002 0.000 0.763 509 P CB 0.376 32.088 31.700 0.020 0.000 0.810 510 V N 1.866 121.775 119.914 -0.009 0.000 2.811 510 V HA 0.770 4.871 4.120 -0.031 0.000 0.302 510 V C 0.535 176.725 176.094 0.159 0.000 1.063 510 V CA 0.226 62.536 62.300 0.017 0.000 1.088 510 V CB 0.445 32.176 31.823 -0.153 0.000 0.982 510 V HN 0.726 nan 8.190 nan 0.000 0.485 511 G N 2.314 111.260 108.800 0.242 0.000 2.600 511 G HA2 0.604 4.545 3.960 -0.031 0.000 0.293 511 G HA3 0.604 4.545 3.960 -0.031 0.000 0.293 511 G C -2.333 172.712 174.900 0.241 0.000 1.408 511 G CA -0.746 44.505 45.100 0.253 0.000 0.782 511 G HN 0.736 nan 8.290 nan 0.000 0.482 512 Y N -0.069 120.259 120.300 0.047 0.000 2.442 512 Y HA 0.609 5.140 4.550 -0.031 0.000 0.344 512 Y C 0.117 176.043 175.900 0.044 0.000 0.976 512 Y CA -0.796 57.315 58.100 0.018 0.000 1.040 512 Y CB 2.749 41.187 38.460 -0.036 0.000 1.228 512 Y HN 0.496 nan 8.280 nan 0.000 0.451 513 K N 4.086 124.543 120.400 0.096 0.000 2.235 513 K HA 0.512 4.813 4.320 -0.031 0.000 0.266 513 K C -1.605 175.009 176.600 0.024 0.000 0.980 513 K CA -0.848 55.449 56.287 0.017 0.000 0.849 513 K CB 0.939 33.383 32.500 -0.093 0.000 1.098 513 K HN 0.624 nan 8.250 nan 0.000 0.445 514 L N 5.491 126.728 121.223 0.023 0.000 2.265 514 L HA 0.256 4.577 4.340 -0.031 0.000 0.288 514 L C -1.095 175.744 176.870 -0.051 0.000 1.058 514 L CA 0.116 55.003 54.840 0.079 0.000 0.809 514 L CB 0.543 42.667 42.059 0.109 0.000 1.179 514 L HN 0.642 nan 8.230 nan 0.000 0.429 515 H N 5.309 124.481 119.070 0.170 0.000 2.581 515 H HA 0.583 5.120 4.556 -0.031 0.000 0.308 515 H C -0.353 175.102 175.328 0.212 0.000 1.040 515 H CA -0.349 55.795 56.048 0.160 0.000 1.231 515 H CB 1.506 31.349 29.762 0.136 0.000 1.396 515 H HN 0.844 nan 8.280 nan 0.000 0.467 516 A N 2.629 125.641 122.820 0.321 0.000 2.279 516 A HA 0.226 4.527 4.320 -0.031 0.000 0.303 516 A C 0.566 178.432 177.584 0.469 0.000 1.108 516 A CA -0.540 51.724 52.037 0.380 0.000 0.830 516 A CB 0.552 19.822 19.000 0.450 0.000 1.106 516 A HN 0.915 nan 8.150 nan 0.000 0.493 517 H N 0.696 119.945 119.070 0.298 0.000 2.548 517 H HA -0.003 4.534 4.556 -0.032 0.000 0.268 517 H C -0.122 175.322 175.328 0.194 0.000 0.975 517 H CA 0.276 56.450 56.048 0.209 0.000 1.195 517 H CB 0.183 30.060 29.762 0.192 0.000 1.397 517 H HN 0.751 nan 8.280 nan 0.000 0.572 518 N N 1.913 120.833 118.700 0.367 0.000 2.735 518 N HA -0.162 4.559 4.740 -0.031 0.000 0.248 518 N C -0.596 175.043 175.510 0.215 0.000 1.083 518 N CA 0.530 53.743 53.050 0.272 0.000 0.703 518 N CB -0.896 37.712 38.487 0.202 0.000 1.005 518 N HN 0.512 nan 8.380 nan 0.000 0.550 519 Q N -0.128 119.814 119.800 0.235 0.000 2.382 519 Q HA 0.369 4.690 4.340 -0.031 0.000 0.229 519 Q C -1.813 174.265 176.000 0.129 0.000 1.006 519 Q CA -1.043 54.864 55.803 0.172 0.000 0.916 519 Q CB 0.175 29.026 28.738 0.189 0.000 1.235 519 Q HN 0.131 nan 8.270 nan 0.000 0.512 520 P HA 0.002 nan 4.420 nan 0.000 0.269 520 P C -0.257 177.061 177.300 0.031 0.000 1.209 520 P CA 0.231 63.364 63.100 0.055 0.000 0.776 520 P CB 0.480 32.200 31.700 0.034 0.000 0.876 521 T N 0.055 114.621 114.554 0.020 0.000 2.891 521 T HA 0.324 4.655 4.350 -0.031 0.000 0.294 521 T C 0.269 174.934 174.700 -0.060 0.000 1.065 521 T CA -0.921 61.169 62.100 -0.017 0.000 0.936 521 T CB 0.063 68.932 68.868 0.002 0.000 1.415 521 T HN 0.178 nan 8.240 nan 0.000 0.572 522 L N 1.050 122.211 121.223 -0.104 0.000 2.628 522 L HA 0.119 4.440 4.340 -0.031 0.000 0.274 522 L C 0.825 177.656 176.870 -0.065 0.000 1.209 522 L CA 0.291 55.060 54.840 -0.119 0.000 0.930 522 L CB -0.485 41.479 42.059 -0.158 0.000 1.183 522 L HN 0.643 nan 8.230 nan 0.000 0.492 523 L N 5.005 126.193 121.223 -0.059 0.000 2.375 523 L HA 0.216 4.537 4.340 -0.031 0.000 0.215 523 L C 1.447 178.316 176.870 -0.002 0.000 1.108 523 L CA 0.222 55.050 54.840 -0.020 0.000 0.830 523 L CB -0.534 41.517 42.059 -0.013 0.000 0.959 523 L HN 0.839 nan 8.230 nan 0.000 0.457 524 A N 0.663 123.477 122.820 -0.010 0.000 2.547 524 A HA -0.108 4.194 4.320 -0.031 0.000 0.233 524 A C 0.303 177.899 177.584 0.019 0.000 1.067 524 A CA -0.059 51.986 52.037 0.014 0.000 0.763 524 A CB -0.053 18.957 19.000 0.016 0.000 1.007 524 A HN 0.278 nan 8.150 nan 0.000 0.506 525 D N 1.420 121.840 120.400 0.033 0.000 2.488 525 D HA 0.054 4.675 4.640 -0.031 0.000 0.238 525 D C -1.471 174.844 176.300 0.026 0.000 1.138 525 D CA -1.055 52.964 54.000 0.031 0.000 0.873 525 D CB 0.823 41.646 40.800 0.038 0.000 1.183 525 D HN 0.150 nan 8.370 nan 0.000 0.458 526 P HA -0.063 nan 4.420 nan 0.000 0.218 526 P C 0.961 178.272 177.300 0.019 0.000 1.146 526 P CA 1.093 64.203 63.100 0.017 0.000 0.813 526 P CB 0.159 31.867 31.700 0.014 0.000 0.778 527 G N -1.149 107.664 108.800 0.022 0.000 3.042 527 G HA2 0.038 3.980 3.960 -0.031 0.000 0.212 527 G HA3 0.038 3.980 3.960 -0.031 0.000 0.212 527 G C 0.375 175.291 174.900 0.028 0.000 1.166 527 G CA 0.036 45.149 45.100 0.021 0.000 0.767 527 G HN 0.361 nan 8.290 nan 0.000 0.546 528 S N -0.536 115.188 115.700 0.039 0.000 2.600 528 S HA 0.293 4.744 4.470 -0.031 0.000 0.265 528 S C 1.565 176.186 174.600 0.035 0.000 1.325 528 S CA 0.404 58.640 58.200 0.060 0.000 1.002 528 S CB 1.701 64.950 63.200 0.081 0.000 0.921 528 S HN 0.070 nan 8.310 nan 0.000 0.554 529 S N 0.561 116.276 115.700 0.026 0.000 2.368 529 S HA -0.137 4.315 4.470 -0.031 0.000 0.225 529 S C 1.665 176.260 174.600 -0.008 0.000 1.030 529 S CA 1.116 59.268 58.200 -0.080 0.000 0.999 529 S CB -0.796 62.190 63.200 -0.357 0.000 0.844 529 S HN 0.701 nan 8.310 nan 0.000 0.459 530 I N 2.058 122.672 120.570 0.074 0.000 2.286 530 I HA 0.021 4.172 4.170 -0.031 0.000 0.248 530 I C 2.298 178.455 176.117 0.068 0.000 1.115 530 I CA 1.327 62.698 61.300 0.119 0.000 1.392 530 I CB -0.890 37.186 38.000 0.128 0.000 1.065 530 I HN 0.319 nan 8.210 nan 0.000 0.418 531 A N 0.031 122.871 122.820 0.034 0.000 2.015 531 A HA -0.170 4.131 4.320 -0.031 0.000 0.219 531 A C 2.384 179.977 177.584 0.016 0.000 1.163 531 A CA 1.560 53.602 52.037 0.008 0.000 0.646 531 A CB -0.519 18.487 19.000 0.010 0.000 0.806 531 A HN 0.442 nan 8.150 nan 0.000 0.448 532 R N -0.888 119.625 120.500 0.021 0.000 2.080 532 R HA 0.103 4.424 4.340 -0.031 0.000 0.222 532 R C 2.310 178.625 176.300 0.025 0.000 1.107 532 R CA 1.133 57.242 56.100 0.014 0.000 0.980 532 R CB -0.157 30.141 30.300 -0.002 0.000 0.879 532 R HN 0.443 nan 8.270 nan 0.000 0.439 533 R N -0.230 120.304 120.500 0.057 0.000 2.153 533 R HA 0.138 4.459 4.340 -0.031 0.000 0.218 533 R C 0.693 177.122 176.300 0.215 0.000 1.072 533 R CA 1.107 57.257 56.100 0.082 0.000 0.990 533 R CB 0.314 30.659 30.300 0.076 0.000 0.889 533 R HN 0.059 nan 8.270 nan 0.000 0.452 534 A N 0.251 123.211 122.820 0.233 0.000 3.041 534 A HA 0.492 4.793 4.320 -0.031 0.000 0.307 534 A C 1.168 178.682 177.584 -0.116 0.000 1.116 534 A CA -0.091 52.058 52.037 0.188 0.000 1.001 534 A CB 0.267 19.281 19.000 0.024 0.000 1.112 534 A HN 0.243 nan 8.150 nan 0.000 0.556 535 A N 0.299 123.116 122.820 -0.005 0.000 1.978 535 A HA -0.068 4.233 4.320 -0.031 0.000 0.220 535 A C 1.787 179.378 177.584 0.012 0.000 1.170 535 A CA 1.806 53.843 52.037 0.000 0.000 0.636 535 A CB -0.960 18.062 19.000 0.036 0.000 0.810 535 A HN 1.370 nan 8.150 nan 0.000 0.448 536 F N -0.151 119.683 119.950 -0.193 0.000 2.202 536 F HA -0.007 4.501 4.527 -0.032 0.000 0.301 536 F C 2.024 177.885 175.800 0.102 0.000 1.082 536 F CA 0.855 58.651 58.000 -0.341 0.000 1.313 536 F CB -0.913 37.767 39.000 -0.534 0.000 1.024 536 F HN 0.148 nan 8.300 nan 0.000 0.495 537 A N 0.468 122.600 122.820 -1.147 0.000 2.209 537 A HA -0.016 4.285 4.320 -0.031 0.000 0.212 537 A C 2.115 179.547 177.584 -0.253 0.000 1.158 537 A CA 1.333 52.874 52.037 -0.826 0.000 0.742 537 A CB -1.482 16.884 19.000 -1.057 0.000 0.790 537 A HN 0.589 nan 8.150 nan 0.000 0.472 538 T N -3.530 110.980 114.554 -0.074 0.000 3.081 538 T HA 0.181 4.512 4.350 -0.031 0.000 0.255 538 T C 0.619 175.341 174.700 0.037 0.000 1.113 538 T CA 0.260 62.360 62.100 -0.001 0.000 1.082 538 T CB 0.100 68.984 68.868 0.027 0.000 0.939 538 T HN 0.107 nan 8.240 nan 0.000 0.506 539 K N 1.076 121.549 120.400 0.123 0.000 2.426 539 K HA 0.404 4.705 4.320 -0.031 0.000 0.251 539 K C -0.451 176.204 176.600 0.092 0.000 0.941 539 K CA -0.518 55.761 56.287 -0.014 0.000 0.808 539 K CB 2.109 34.367 32.500 -0.404 0.000 1.265 539 K HN -0.045 nan 8.250 nan 0.000 0.432 540 D N 0.328 120.741 120.400 0.023 0.000 2.183 540 D HA -0.028 4.593 4.640 -0.031 0.000 0.203 540 D C 0.037 176.372 176.300 0.059 0.000 0.969 540 D CA 0.819 54.876 54.000 0.095 0.000 0.842 540 D CB 0.283 41.184 40.800 0.167 0.000 0.957 540 D HN 0.134 nan 8.370 nan 0.000 0.484 541 L N -0.286 120.813 121.223 -0.207 0.000 2.464 541 L HA 0.455 4.776 4.340 -0.031 0.000 0.266 541 L C -2.006 174.736 176.870 -0.213 0.000 0.965 541 L CA -0.643 54.043 54.840 -0.256 0.000 0.833 541 L CB 1.477 42.931 42.059 -1.009 0.000 1.296 541 L HN -0.132 nan 8.230 nan 0.000 0.405 542 W N 4.280 125.565 121.300 -0.025 0.000 2.819 542 W HA 0.774 5.415 4.660 -0.032 0.000 0.337 542 W C -1.148 175.471 176.519 0.167 0.000 1.077 542 W CA -0.842 56.527 57.345 0.040 0.000 1.226 542 W CB 2.015 31.476 29.460 0.002 0.000 1.419 542 W HN 0.169 nan 8.180 nan 0.000 0.502 543 V N 2.577 122.703 119.914 0.354 0.000 2.525 543 V HA 0.699 4.800 4.120 -0.031 0.000 0.299 543 V C -0.087 176.197 176.094 0.318 0.000 1.034 543 V CA -0.821 61.671 62.300 0.319 0.000 0.863 543 V CB 1.377 33.305 31.823 0.175 0.000 0.999 543 V HN 0.598 nan 8.190 nan 0.000 0.423 544 T N 1.574 116.361 114.554 0.389 0.000 2.916 544 T HA 0.766 5.097 4.350 -0.031 0.000 0.292 544 T C -0.470 174.363 174.700 0.222 0.000 1.064 544 T CA -0.965 61.316 62.100 0.303 0.000 1.011 544 T CB 2.168 71.260 68.868 0.373 0.000 1.152 544 T HN 0.520 nan 8.240 nan 0.000 0.510 545 R N 0.755 121.341 120.500 0.144 0.000 2.390 545 R HA 0.360 4.681 4.340 -0.031 0.000 0.291 545 R C -0.854 175.494 176.300 0.079 0.000 1.070 545 R CA -0.891 55.274 56.100 0.109 0.000 1.014 545 R CB -0.418 29.924 30.300 0.069 0.000 1.007 545 R HN 0.773 nan 8.270 nan 0.000 0.466 546 Y N 3.145 123.441 120.300 -0.006 0.000 2.702 546 Y HA 0.298 4.830 4.550 -0.031 0.000 0.336 546 Y C -0.753 175.094 175.900 -0.089 0.000 1.235 546 Y CA 0.919 58.984 58.100 -0.059 0.000 1.492 546 Y CB 0.476 38.869 38.460 -0.111 0.000 1.308 546 Y HN 0.748 nan 8.280 nan 0.000 0.589 547 A N 5.190 127.288 122.820 -1.202 0.000 2.517 547 A HA 0.301 4.602 4.320 -0.031 0.000 0.297 547 A C 0.134 177.097 177.584 -1.036 0.000 1.050 547 A CA -0.613 50.897 52.037 -0.879 0.000 0.694 547 A CB 0.892 19.612 19.000 -0.466 0.000 1.277 547 A HN 0.754 nan 8.150 nan 0.000 0.400 548 D N 1.050 121.077 120.400 -0.622 0.000 2.133 548 D HA -0.172 4.449 4.640 -0.031 0.000 0.195 548 D C 1.110 177.243 176.300 -0.279 0.000 0.997 548 D CA 2.259 56.066 54.000 -0.321 0.000 0.840 548 D CB 0.108 40.843 40.800 -0.108 0.000 0.947 548 D HN 0.772 nan 8.370 nan 0.000 0.452 549 D N 0.097 120.334 120.400 -0.272 0.000 2.328 549 D HA -0.063 4.558 4.640 -0.031 0.000 0.221 549 D C -0.172 175.953 176.300 -0.293 0.000 1.072 549 D CA 0.077 53.948 54.000 -0.214 0.000 0.850 549 D CB -0.457 40.265 40.800 -0.129 0.000 0.922 549 D HN 0.166 nan 8.370 nan 0.000 0.516 550 E N 0.706 120.637 120.200 -0.449 0.000 2.261 550 E HA 0.286 4.617 4.350 -0.031 0.000 0.239 550 E C 0.621 177.046 176.600 -0.293 0.000 0.991 550 E CA -0.291 55.736 56.400 -0.622 0.000 0.847 550 E CB 0.964 30.029 29.700 -1.057 0.000 1.223 550 E HN 0.145 nan 8.360 nan 0.000 0.446 551 R N 1.030 121.342 120.500 -0.314 0.000 2.123 551 R HA 0.098 4.420 4.340 -0.031 0.000 0.209 551 R C -0.027 175.952 176.300 -0.535 0.000 1.078 551 R CA 0.683 56.432 56.100 -0.585 0.000 1.028 551 R CB 0.370 29.984 30.300 -1.143 0.000 0.939 551 R HN 0.269 nan 8.270 nan 0.000 0.463 552 Y N 0.501 120.922 120.300 0.201 0.000 2.429 552 Y HA 0.290 4.822 4.550 -0.031 0.000 0.342 552 Y C -1.735 174.163 175.900 -0.004 0.000 1.004 552 Y CA -3.267 54.913 58.100 0.134 0.000 1.075 552 Y CB 1.102 39.537 38.460 -0.042 0.000 1.214 552 Y HN -0.142 nan 8.280 nan 0.000 0.455 553 P HA -0.092 nan 4.420 nan 0.000 0.230 553 P C 0.578 177.593 177.300 -0.475 0.000 1.158 553 P CA 1.392 64.152 63.100 -0.567 0.000 0.769 553 P CB 0.154 31.430 31.700 -0.705 0.000 0.807 554 T N -4.962 109.432 114.554 -0.266 0.000 3.084 554 T HA 0.517 4.848 4.350 -0.031 0.000 0.270 554 T C 0.846 175.400 174.700 -0.243 0.000 1.008 554 T CA 0.087 62.066 62.100 -0.201 0.000 0.900 554 T CB 0.062 68.890 68.868 -0.066 0.000 1.084 554 T HN 0.329 nan 8.240 nan 0.000 0.538 555 G N 1.421 110.121 108.800 -0.167 0.000 2.712 555 G HA2 -0.147 3.794 3.960 -0.031 0.000 0.683 555 G HA3 -0.147 3.794 3.960 -0.031 0.000 0.683 555 G C -0.257 174.609 174.900 -0.057 0.000 1.320 555 G CA -0.125 44.898 45.100 -0.128 0.000 0.847 555 G HN 0.149 nan 8.290 nan 0.000 0.553 556 D N -0.576 119.734 120.400 -0.150 0.000 2.162 556 D HA 0.078 4.699 4.640 -0.031 0.000 0.203 556 D C 0.937 176.759 176.300 -0.797 0.000 0.967 556 D CA 1.449 55.193 54.000 -0.427 0.000 0.840 556 D CB -0.009 40.363 40.800 -0.712 0.000 0.972 556 D HN 0.229 nan 8.370 nan 0.000 0.482 557 F N 0.460 120.318 119.950 -0.154 0.000 2.451 557 F HA 0.215 4.723 4.527 -0.032 0.000 0.367 557 F C 1.170 176.864 175.800 -0.177 0.000 1.100 557 F CA -0.590 57.297 58.000 -0.188 0.000 1.171 557 F CB 1.157 40.031 39.000 -0.211 0.000 1.405 557 F HN -0.346 nan 8.300 nan 0.000 0.482 558 V N 0.063 119.907 119.914 -0.117 0.000 2.453 558 V HA -0.210 3.891 4.120 -0.031 0.000 0.247 558 V C 1.302 177.269 176.094 -0.211 0.000 1.048 558 V CA 0.871 63.024 62.300 -0.245 0.000 1.049 558 V CB -0.525 31.085 31.823 -0.354 0.000 0.672 558 V HN 0.651 nan 8.190 nan 0.000 0.457 559 N N 1.351 119.981 118.700 -0.116 0.000 2.374 559 N HA -0.080 4.641 4.740 -0.031 0.000 0.269 559 N C 0.509 175.973 175.510 -0.077 0.000 1.310 559 N CA 0.746 53.739 53.050 -0.094 0.000 0.877 559 N CB -0.303 38.139 38.487 -0.075 0.000 1.096 559 N HN 0.474 nan 8.380 nan 0.000 0.484 560 Q N -0.052 119.697 119.800 -0.086 0.000 2.481 560 Q HA -0.308 4.014 4.340 -0.031 0.000 0.272 560 Q C -0.687 175.260 176.000 -0.088 0.000 1.157 560 Q CA 0.780 56.532 55.803 -0.084 0.000 0.935 560 Q CB -1.529 27.157 28.738 -0.087 0.000 1.338 560 Q HN 0.685 nan 8.270 nan 0.000 0.494 561 H N -0.010 118.963 119.070 -0.162 0.000 2.525 561 H HA 0.194 4.731 4.556 -0.032 0.000 0.339 561 H C 1.256 176.494 175.328 -0.150 0.000 1.109 561 H CA 0.765 56.728 56.048 -0.142 0.000 1.352 561 H CB 1.153 30.831 29.762 -0.140 0.000 1.461 561 H HN 0.271 nan 8.280 nan 0.000 0.533 562 S N 2.791 118.218 115.700 -0.456 0.000 2.419 562 S HA 0.048 4.500 4.470 -0.031 0.000 0.235 562 S C 1.038 175.615 174.600 -0.040 0.000 1.019 562 S CA 0.588 58.644 58.200 -0.240 0.000 0.982 562 S CB -0.103 62.923 63.200 -0.289 0.000 0.789 562 S HN 1.082 nan 8.310 nan 0.000 0.490 563 G N -1.347 107.598 108.800 0.243 0.000 2.362 563 G HA2 0.483 4.424 3.960 -0.031 0.000 0.656 563 G HA3 0.483 4.424 3.960 -0.031 0.000 0.656 563 G C 0.422 175.386 174.900 0.107 0.000 1.376 563 G CA -0.025 45.156 45.100 0.136 0.000 0.971 563 G HN 1.526 nan 8.290 nan 0.000 0.636 564 G N -1.359 107.440 108.800 -0.002 0.000 2.205 564 G HA2 0.226 4.168 3.960 -0.031 0.000 0.261 564 G HA3 0.226 4.168 3.960 -0.031 0.000 0.261 564 G C 1.172 175.983 174.900 -0.148 0.000 0.980 564 G CA 1.402 46.473 45.100 -0.048 0.000 0.632 564 G HN 2.546 nan 8.290 nan 0.000 0.533 565 A N -0.209 122.466 122.820 -0.242 0.000 2.346 565 A HA 0.845 5.147 4.320 -0.031 0.000 0.252 565 A C 1.854 179.148 177.584 -0.483 0.000 1.089 565 A CA 1.829 53.623 52.037 -0.404 0.000 0.797 565 A CB 0.167 18.746 19.000 -0.703 0.000 1.047 565 A HN 2.499 nan 8.150 nan 0.000 0.494 566 G N -0.936 107.460 108.800 -0.673 0.000 2.498 566 G HA2 -0.214 3.727 3.960 -0.031 0.000 0.245 566 G HA3 -0.214 3.727 3.960 -0.031 0.000 0.245 566 G C 0.840 174.785 174.900 -1.592 0.000 1.204 566 G CA 0.192 44.645 45.100 -1.079 0.000 0.933 566 G HN 1.172 nan 8.290 nan 0.000 0.574 567 L N 1.614 122.075 121.223 -1.269 0.000 2.034 567 L HA -0.151 4.170 4.340 -0.031 0.000 0.217 567 L C 0.325 176.824 176.870 -0.618 0.000 1.077 567 L CA 2.895 57.084 54.840 -1.085 0.000 0.769 567 L CB -1.390 39.774 42.059 -1.492 0.000 0.890 567 L HN 0.430 nan 8.230 nan 0.000 0.435 568 P HA -0.122 nan 4.420 nan 0.000 0.216 568 P C 1.679 178.899 177.300 -0.134 0.000 1.150 568 P CA 1.424 64.446 63.100 -0.129 0.000 0.837 568 P CB 0.096 31.737 31.700 -0.098 0.000 0.786 569 S N -1.955 113.579 115.700 -0.277 0.000 2.387 569 S HA -0.120 4.332 4.470 -0.031 0.000 0.226 569 S C 1.701 176.286 174.600 -0.024 0.000 1.026 569 S CA 0.988 59.092 58.200 -0.159 0.000 0.972 569 S CB -1.015 62.067 63.200 -0.197 0.000 0.814 569 S HN 0.106 nan 8.310 nan 0.000 0.477 570 Y N 1.763 121.990 120.300 -0.122 0.000 2.114 570 Y HA 0.017 4.548 4.550 -0.031 0.000 0.284 570 Y C 2.318 178.194 175.900 -0.040 0.000 1.143 570 Y CA -0.408 57.629 58.100 -0.104 0.000 1.135 570 Y CB -1.122 37.230 38.460 -0.180 0.000 0.980 570 Y HN 0.166 nan 8.280 nan 0.000 0.499 571 I N 0.228 120.881 120.570 0.138 0.000 2.335 571 I HA -0.278 3.873 4.170 -0.031 0.000 0.251 571 I C 2.422 178.598 176.117 0.097 0.000 1.129 571 I CA 1.463 62.847 61.300 0.141 0.000 1.402 571 I CB -1.614 36.511 38.000 0.208 0.000 1.069 571 I HN 0.166 nan 8.210 nan 0.000 0.424 572 A N 0.104 122.967 122.820 0.072 0.000 2.125 572 A HA -0.212 4.090 4.320 -0.031 0.000 0.219 572 A C 2.128 179.741 177.584 0.049 0.000 1.156 572 A CA 1.106 53.173 52.037 0.051 0.000 0.671 572 A CB -0.554 18.465 19.000 0.032 0.000 0.794 572 A HN 0.553 nan 8.150 nan 0.000 0.459 573 Q N -1.257 118.579 119.800 0.060 0.000 2.369 573 Q HA -0.066 4.255 4.340 -0.031 0.000 0.206 573 Q C 0.054 176.081 176.000 0.046 0.000 0.963 573 Q CA 0.403 56.235 55.803 0.049 0.000 0.894 573 Q CB -0.011 28.756 28.738 0.048 0.000 0.965 573 Q HN 0.592 nan 8.270 nan 0.000 0.475 574 D N 1.057 121.490 120.400 0.054 0.000 2.697 574 D HA -0.177 4.444 4.640 -0.031 0.000 0.235 574 D C -0.926 175.403 176.300 0.048 0.000 1.167 574 D CA 0.632 54.662 54.000 0.050 0.000 0.656 574 D CB -0.555 40.269 40.800 0.040 0.000 1.025 574 D HN 0.217 nan 8.370 nan 0.000 0.419 575 R N 0.407 120.939 120.500 0.054 0.000 2.577 575 R HA 0.355 4.676 4.340 -0.031 0.000 0.269 575 R C 0.208 176.541 176.300 0.055 0.000 1.084 575 R CA -0.657 55.472 56.100 0.049 0.000 1.163 575 R CB 0.452 30.779 30.300 0.046 0.000 1.100 575 R HN 0.161 nan 8.270 nan 0.000 0.547 576 D N 1.793 122.222 120.400 0.049 0.000 2.383 576 D HA 0.043 4.664 4.640 -0.031 0.000 0.252 576 D C 0.461 176.799 176.300 0.064 0.000 1.166 576 D CA -0.066 53.965 54.000 0.052 0.000 0.879 576 D CB 0.583 41.410 40.800 0.044 0.000 1.164 576 D HN 0.551 nan 8.370 nan 0.000 0.462 577 I N -0.185 120.427 120.570 0.071 0.000 4.050 577 I HA 0.348 4.499 4.170 -0.031 0.000 0.327 577 I C 0.106 176.271 176.117 0.080 0.000 1.473 577 I CA -0.512 60.838 61.300 0.084 0.000 1.124 577 I CB 0.505 38.564 38.000 0.100 0.000 1.129 577 I HN 0.077 nan 8.210 nan 0.000 0.428 578 D N 2.983 123.423 120.400 0.068 0.000 2.468 578 D HA 0.363 4.984 4.640 -0.031 0.000 0.218 578 D C 1.051 177.387 176.300 0.060 0.000 1.155 578 D CA 0.505 54.543 54.000 0.063 0.000 0.924 578 D CB 0.479 41.311 40.800 0.054 0.000 1.029 578 D HN 0.560 nan 8.370 nan 0.000 0.515 579 G N 3.214 112.054 108.800 0.067 0.000 2.370 579 G HA2 -0.177 3.765 3.960 -0.031 0.000 0.268 579 G HA3 -0.177 3.765 3.960 -0.031 0.000 0.268 579 G C -0.099 174.843 174.900 0.070 0.000 1.122 579 G CA -0.324 44.815 45.100 0.065 0.000 0.963 579 G HN 0.473 nan 8.290 nan 0.000 0.500 580 Q N -0.762 119.087 119.800 0.082 0.000 2.683 580 Q HA 0.397 4.718 4.340 -0.031 0.000 0.302 580 Q C -1.003 175.061 176.000 0.105 0.000 1.042 580 Q CA -0.918 54.935 55.803 0.083 0.000 0.773 580 Q CB 0.982 29.765 28.738 0.075 0.000 1.508 580 Q HN 0.230 nan 8.270 nan 0.000 0.459 581 D N 1.888 122.342 120.400 0.090 0.000 2.344 581 D HA 0.296 4.917 4.640 -0.031 0.000 0.253 581 D C -0.378 175.999 176.300 0.128 0.000 1.255 581 D CA 0.062 54.113 54.000 0.084 0.000 0.894 581 D CB -0.325 40.424 40.800 -0.084 0.000 1.067 581 D HN 0.427 nan 8.370 nan 0.000 0.492 582 I N 0.010 120.667 120.570 0.145 0.000 2.957 582 I HA 0.686 4.837 4.170 -0.031 0.000 0.310 582 I C -0.928 175.265 176.117 0.127 0.000 1.063 582 I CA -1.091 60.297 61.300 0.148 0.000 1.033 582 I CB 2.192 40.271 38.000 0.133 0.000 1.230 582 I HN -0.097 nan 8.210 nan 0.000 0.447 583 V N 3.513 123.499 119.914 0.121 0.000 2.638 583 V HA 0.428 4.529 4.120 -0.031 0.000 0.306 583 V C -0.192 175.893 176.094 -0.015 0.000 1.052 583 V CA -0.671 61.614 62.300 -0.025 0.000 0.885 583 V CB 1.882 33.627 31.823 -0.129 0.000 0.999 583 V HN 0.567 nan 8.190 nan 0.000 0.424 584 V N 3.600 123.440 119.914 -0.123 0.000 2.427 584 V HA 0.474 4.575 4.120 -0.031 0.000 0.286 584 V C -1.143 174.889 176.094 -0.102 0.000 1.034 584 V CA -0.465 61.836 62.300 0.002 0.000 0.893 584 V CB 1.666 33.486 31.823 -0.005 0.000 0.982 584 V HN 0.920 nan 8.190 nan 0.000 0.452 585 W N 4.000 125.347 121.300 0.078 0.000 2.336 585 W HA 0.502 5.143 4.660 -0.032 0.000 0.315 585 W C -0.179 176.435 176.519 0.157 0.000 1.016 585 W CA -0.649 56.743 57.345 0.079 0.000 1.318 585 W CB 0.497 29.975 29.460 0.031 0.000 1.247 585 W HN 0.591 nan 8.180 nan 0.000 0.414 586 H N 1.701 120.850 119.070 0.132 0.000 2.519 586 H HA 0.509 5.046 4.556 -0.031 0.000 0.316 586 H C -0.330 175.169 175.328 0.285 0.000 1.065 586 H CA -0.196 55.890 56.048 0.063 0.000 1.264 586 H CB 0.998 30.584 29.762 -0.293 0.000 1.413 586 H HN 0.175 nan 8.280 nan 0.000 0.465 587 T N 7.297 121.843 114.554 -0.014 0.000 2.806 587 T HA 0.437 4.768 4.350 -0.031 0.000 0.290 587 T C -1.025 173.576 174.700 -0.166 0.000 0.966 587 T CA -0.245 61.870 62.100 0.025 0.000 1.060 587 T CB -0.273 68.707 68.868 0.187 0.000 0.927 587 T HN 0.500 nan 8.240 nan 0.000 0.485 588 F N -0.058 119.778 119.950 -0.189 0.000 2.665 588 F HA 0.850 5.358 4.527 -0.031 0.000 0.308 588 F C -0.251 175.638 175.800 0.148 0.000 1.112 588 F CA -1.115 56.837 58.000 -0.080 0.000 0.972 588 F CB 1.045 39.968 39.000 -0.128 0.000 1.295 588 F HN 0.818 nan 8.300 nan 0.000 0.440 589 G N 1.511 110.417 108.800 0.176 0.000 2.488 589 G HA2 0.576 4.517 3.960 -0.031 0.000 0.301 589 G HA3 0.576 4.517 3.960 -0.031 0.000 0.301 589 G C -2.531 172.459 174.900 0.150 0.000 1.339 589 G CA -1.105 44.087 45.100 0.154 0.000 0.803 589 G HN 0.832 nan 8.290 nan 0.000 0.482 590 L N 0.257 121.554 121.223 0.124 0.000 2.334 590 L HA 0.629 4.950 4.340 -0.031 0.000 0.276 590 L C -0.165 176.676 176.870 -0.048 0.000 1.014 590 L CA -0.764 54.115 54.840 0.066 0.000 0.815 590 L CB 2.491 44.603 42.059 0.089 0.000 1.268 590 L HN 0.452 nan 8.230 nan 0.000 0.428 591 T N 0.472 114.953 114.554 -0.121 0.000 2.756 591 T HA 0.245 4.576 4.350 -0.031 0.000 0.290 591 T C -0.682 173.774 174.700 -0.407 0.000 0.985 591 T CA -0.249 61.662 62.100 -0.315 0.000 0.955 591 T CB 0.169 68.869 68.868 -0.279 0.000 0.930 591 T HN 0.423 nan 8.240 nan 0.000 0.451 592 H N 3.118 121.750 119.070 -0.729 0.000 2.581 592 H HA 0.392 4.930 4.556 -0.030 0.000 0.308 592 H C -1.142 173.701 175.328 -0.808 0.000 1.040 592 H CA -1.072 54.575 56.048 -0.668 0.000 1.231 592 H CB 0.348 29.734 29.762 -0.627 0.000 1.396 592 H HN 0.437 nan 8.280 nan 0.000 0.467 593 F N 6.593 126.449 119.950 -0.156 0.000 2.307 593 F HA 0.277 4.784 4.527 -0.032 0.000 0.369 593 F C -2.037 173.707 175.800 -0.094 0.000 1.076 593 F CA -2.595 55.169 58.000 -0.393 0.000 1.149 593 F CB 0.764 39.428 39.000 -0.560 0.000 1.410 593 F HN 0.516 nan 8.300 nan 0.000 0.481 594 P HA -0.010 nan 4.420 nan 0.000 0.263 594 P C -0.342 177.052 177.300 0.157 0.000 1.175 594 P CA 0.182 63.261 63.100 -0.035 0.000 0.761 594 P CB 0.475 32.133 31.700 -0.069 0.000 0.794 595 R N 1.647 122.264 120.500 0.196 0.000 2.758 595 R HA 0.445 4.766 4.340 -0.031 0.000 0.265 595 R C 0.530 176.913 176.300 0.139 0.000 1.016 595 R CA -0.935 55.252 56.100 0.146 0.000 1.040 595 R CB 0.254 30.637 30.300 0.138 0.000 1.152 595 R HN 0.054 nan 8.270 nan 0.000 0.503 596 V N 1.146 121.118 119.914 0.098 0.000 2.469 596 V HA -0.231 3.870 4.120 -0.031 0.000 0.251 596 V C 1.621 177.809 176.094 0.156 0.000 1.064 596 V CA 2.059 64.424 62.300 0.110 0.000 1.066 596 V CB -0.772 31.090 31.823 0.065 0.000 0.667 596 V HN 0.776 nan 8.190 nan 0.000 0.461 597 E N 0.010 120.284 120.200 0.122 0.000 2.401 597 E HA -0.157 4.174 4.350 -0.031 0.000 0.199 597 E C 1.595 178.268 176.600 0.122 0.000 1.023 597 E CA 0.843 57.306 56.400 0.105 0.000 0.859 597 E CB -0.247 29.496 29.700 0.072 0.000 0.780 597 E HN 0.596 nan 8.360 nan 0.000 0.523 598 D N -0.963 119.546 120.400 0.181 0.000 2.355 598 D HA -0.065 4.556 4.640 -0.031 0.000 0.218 598 D C -0.200 176.244 176.300 0.240 0.000 1.004 598 D CA 0.284 54.405 54.000 0.201 0.000 0.880 598 D CB 0.110 41.084 40.800 0.289 0.000 0.911 598 D HN 0.221 nan 8.370 nan 0.000 0.528 599 W N 2.276 123.603 121.300 0.045 0.000 2.606 599 W HA 0.218 4.857 4.660 -0.034 0.000 0.332 599 W C -1.929 174.618 176.519 0.046 0.000 1.052 599 W CA -1.978 55.394 57.345 0.044 0.000 1.223 599 W CB 2.106 31.591 29.460 0.042 0.000 1.383 599 W HN -0.206 nan 8.180 nan 0.000 0.524 600 P HA 0.101 nan 4.420 nan 0.000 0.240 600 P C -0.029 176.808 177.300 -0.773 0.000 1.190 600 P CA 0.795 62.957 63.100 -1.564 0.000 0.781 600 P CB 1.430 32.493 31.700 -1.062 0.000 0.931 601 I N -0.530 119.779 120.570 -0.436 0.000 2.569 601 I HA 0.330 4.482 4.170 -0.031 0.000 0.290 601 I C -0.763 175.215 176.117 -0.232 0.000 1.088 601 I CA -1.610 59.431 61.300 -0.432 0.000 1.047 601 I CB 2.668 40.170 38.000 -0.830 0.000 1.237 601 I HN -0.287 nan 8.210 nan 0.000 0.421 602 M N 9.216 128.724 119.600 -0.153 0.000 2.188 602 M HA 0.438 4.899 4.480 -0.031 0.000 0.354 602 M C -2.444 173.811 176.300 -0.075 0.000 1.342 602 M CA -1.266 54.001 55.300 -0.054 0.000 1.117 602 M CB 0.870 33.478 32.600 0.013 0.000 1.670 602 M HN 0.275 nan 8.290 nan 0.000 0.466 603 P HA 0.097 nan 4.420 nan 0.000 0.275 603 P C -0.896 176.378 177.300 -0.043 0.000 1.228 603 P CA -0.464 62.607 63.100 -0.048 0.000 0.786 603 P CB 0.635 32.317 31.700 -0.029 0.000 0.927 604 V N 3.272 123.163 119.914 -0.039 0.000 2.694 604 V HA -0.019 4.082 4.120 -0.031 0.000 0.306 604 V C 0.595 176.658 176.094 -0.052 0.000 1.054 604 V CA 1.127 63.407 62.300 -0.033 0.000 1.161 604 V CB 0.097 31.915 31.823 -0.009 0.000 0.916 604 V HN 0.603 nan 8.190 nan 0.000 0.490 605 D N 2.001 122.358 120.400 -0.071 0.000 2.527 605 D HA 0.705 5.326 4.640 -0.031 0.000 0.233 605 D C -0.323 175.930 176.300 -0.079 0.000 1.063 605 D CA -0.182 53.770 54.000 -0.079 0.000 0.880 605 D CB 2.386 43.114 40.800 -0.119 0.000 1.457 605 D HN 0.738 nan 8.370 nan 0.000 0.475 606 T N -1.477 113.041 114.554 -0.060 0.000 2.901 606 T HA 0.780 5.111 4.350 -0.031 0.000 0.293 606 T C -0.962 173.745 174.700 0.012 0.000 1.084 606 T CA -0.807 61.253 62.100 -0.066 0.000 1.008 606 T CB 1.524 70.338 68.868 -0.091 0.000 1.170 606 T HN 0.270 nan 8.240 nan 0.000 0.509 607 V N -0.430 119.487 119.914 0.005 0.000 3.204 607 V HA 0.863 4.964 4.120 -0.031 0.000 0.298 607 V C -0.235 175.851 176.094 -0.013 0.000 1.328 607 V CA 0.557 62.944 62.300 0.145 0.000 1.035 607 V CB 1.651 33.608 31.823 0.223 0.000 1.095 607 V HN 1.713 nan 8.190 nan 0.000 0.442 608 G N 2.829 111.466 108.800 -0.273 0.000 2.393 608 G HA2 0.712 4.653 3.960 -0.031 0.000 0.264 608 G HA3 0.712 4.653 3.960 -0.031 0.000 0.264 608 G C -1.415 172.921 174.900 -0.940 0.000 1.221 608 G CA 0.242 44.989 45.100 -0.589 0.000 0.912 608 G HN 1.971 nan 8.290 nan 0.000 0.483 609 F N -0.986 118.579 119.950 -0.641 0.000 2.858 609 F HA 0.848 5.356 4.527 -0.032 0.000 0.319 609 F C -1.124 174.635 175.800 -0.068 0.000 1.166 609 F CA -0.916 56.880 58.000 -0.339 0.000 0.899 609 F CB 1.409 40.225 39.000 -0.305 0.000 1.332 609 F HN 0.848 nan 8.300 nan 0.000 0.461 610 K N 0.861 121.409 120.400 0.247 0.000 2.555 610 K HA 0.835 5.136 4.320 -0.031 0.000 0.279 610 K C -2.485 174.345 176.600 0.383 0.000 0.986 610 K CA -1.055 55.360 56.287 0.212 0.000 0.880 610 K CB 2.619 35.205 32.500 0.143 0.000 1.474 610 K HN 0.741 nan 8.250 nan 0.000 0.433 611 L N 1.376 122.825 121.223 0.377 0.000 2.385 611 L HA 0.570 4.891 4.340 -0.031 0.000 0.273 611 L C -0.681 176.453 176.870 0.440 0.000 0.990 611 L CA -0.551 54.544 54.840 0.425 0.000 0.821 611 L CB 2.125 44.456 42.059 0.454 0.000 1.279 611 L HN 0.583 nan 8.230 nan 0.000 0.412 612 R N 3.131 123.813 120.500 0.302 0.000 2.711 612 R HA 0.570 4.891 4.340 -0.031 0.000 0.284 612 R C -2.570 173.491 176.300 -0.397 0.000 0.968 612 R CA -1.902 54.242 56.100 0.075 0.000 0.924 612 R CB 1.630 31.998 30.300 0.114 0.000 1.162 612 R HN 0.307 nan 8.270 nan 0.000 0.465 613 P HA -0.034 nan 4.420 nan 0.000 0.268 613 P C -0.788 176.305 177.300 -0.345 0.000 1.205 613 P CA 0.144 62.622 63.100 -1.036 0.000 0.771 613 P CB 0.831 32.262 31.700 -0.448 0.000 0.858 614 E N 1.956 122.020 120.200 -0.228 0.000 2.675 614 E HA 0.437 4.768 4.350 -0.031 0.000 0.236 614 E C 0.669 177.276 176.600 0.011 0.000 1.059 614 E CA -0.420 55.949 56.400 -0.052 0.000 0.775 614 E CB -0.563 29.123 29.700 -0.023 0.000 1.356 614 E HN 0.678 nan 8.360 nan 0.000 0.403 615 G N 3.460 112.278 108.800 0.030 0.000 2.179 615 G HA2 -0.362 3.579 3.960 -0.031 0.000 0.257 615 G HA3 -0.362 3.579 3.960 -0.031 0.000 0.257 615 G C 0.496 175.410 174.900 0.022 0.000 1.010 615 G CA 0.446 45.565 45.100 0.031 0.000 0.736 615 G HN 0.539 nan 8.290 nan 0.000 0.513 616 F N 0.033 119.885 119.950 -0.164 0.000 2.187 616 F HA 0.464 4.973 4.527 -0.031 0.000 0.295 616 F C 1.325 176.856 175.800 -0.449 0.000 1.091 616 F CA 0.515 58.320 58.000 -0.325 0.000 1.308 616 F CB 0.035 38.749 39.000 -0.476 0.000 1.030 616 F HN 0.123 nan 8.300 nan 0.000 0.487 617 F N 0.301 120.254 119.950 0.005 0.000 2.411 617 F HA 0.238 4.746 4.527 -0.032 0.000 0.324 617 F C 1.384 177.140 175.800 -0.074 0.000 1.086 617 F CA -0.776 57.178 58.000 -0.077 0.000 1.028 617 F CB 0.303 39.274 39.000 -0.048 0.000 1.284 617 F HN -0.289 nan 8.300 nan 0.000 0.501 618 D N -0.028 120.455 120.400 0.138 0.000 2.349 618 D HA 0.080 4.701 4.640 -0.031 0.000 0.215 618 D C 0.306 176.638 176.300 0.053 0.000 1.016 618 D CA 0.560 54.593 54.000 0.054 0.000 0.870 618 D CB 0.281 41.096 40.800 0.025 0.000 0.917 618 D HN 0.516 nan 8.370 nan 0.000 0.524 619 R N -2.074 118.472 120.500 0.077 0.000 2.832 619 R HA 0.212 4.533 4.340 -0.031 0.000 0.283 619 R C -0.753 175.544 176.300 -0.004 0.000 0.998 619 R CA -0.756 55.360 56.100 0.026 0.000 0.843 619 R CB 0.347 30.649 30.300 0.004 0.000 1.332 619 R HN -0.168 nan 8.270 nan 0.000 0.490 620 S N 1.002 116.676 115.700 -0.043 0.000 2.563 620 S HA 0.098 4.550 4.470 -0.031 0.000 0.294 620 S C -1.300 173.193 174.600 -0.179 0.000 1.279 620 S CA -0.734 57.407 58.200 -0.098 0.000 1.069 620 S CB 0.451 63.614 63.200 -0.062 0.000 0.828 620 S HN 0.517 nan 8.310 nan 0.000 0.497 621 P HA 0.124 nan 4.420 nan 0.000 0.257 621 P C 0.432 177.615 177.300 -0.194 0.000 1.281 621 P CA 0.168 62.980 63.100 -0.481 0.000 0.826 621 P CB -0.176 30.733 31.700 -1.320 0.000 1.237 622 V N -3.904 115.948 119.914 -0.104 0.000 3.006 622 V HA 0.257 4.359 4.120 -0.031 0.000 0.357 622 V C 1.445 177.559 176.094 0.032 0.000 1.377 622 V CA -0.130 62.163 62.300 -0.012 0.000 1.198 622 V CB -0.706 31.134 31.823 0.028 0.000 1.216 622 V HN -0.132 nan 8.190 nan 0.000 0.520 623 L N 1.078 122.311 121.223 0.016 0.000 2.395 623 L HA 0.065 4.386 4.340 -0.031 0.000 0.218 623 L C 2.019 178.928 176.870 0.064 0.000 1.130 623 L CA 1.313 56.184 54.840 0.052 0.000 0.826 623 L CB -0.204 41.863 42.059 0.014 0.000 0.941 623 L HN 0.561 nan 8.230 nan 0.000 0.451 624 D N -0.628 119.792 120.400 0.033 0.000 2.328 624 D HA 0.003 4.624 4.640 -0.031 0.000 0.221 624 D C 0.561 176.871 176.300 0.016 0.000 1.072 624 D CA 0.002 54.016 54.000 0.023 0.000 0.850 624 D CB -0.135 40.668 40.800 0.005 0.000 0.922 624 D HN -0.007 nan 8.370 nan 0.000 0.516 625 V N 3.262 123.193 119.914 0.028 0.000 2.508 625 V HA 0.196 4.298 4.120 -0.031 0.000 0.281 625 V C -1.601 174.495 176.094 0.004 0.000 1.041 625 V CA -1.096 61.210 62.300 0.010 0.000 1.016 625 V CB 1.009 32.845 31.823 0.023 0.000 0.984 625 V HN 0.171 nan 8.190 nan 0.000 0.478 626 P HA 0.314 nan 4.420 nan 0.000 0.276 626 P C -0.657 176.611 177.300 -0.053 0.000 1.252 626 P CA -0.447 62.639 63.100 -0.022 0.000 0.802 626 P CB 1.038 32.728 31.700 -0.016 0.000 1.035 627 A N 2.459 125.238 122.820 -0.069 0.000 2.450 627 A HA 0.246 4.547 4.320 -0.031 0.000 0.255 627 A C 0.438 177.986 177.584 -0.060 0.000 1.096 627 A CA -0.236 51.741 52.037 -0.100 0.000 0.778 627 A CB -0.557 18.382 19.000 -0.102 0.000 1.031 627 A HN 0.538 nan 8.150 nan 0.000 0.494 628 N N 0.000 118.665 118.700 -0.058 0.000 1.763 628 N HA 0.000 4.721 4.740 -0.031 0.000 0.220 628 N CA 0.000 53.032 53.050 -0.030 0.000 0.885 628 N CB 0.000 38.479 38.487 -0.013 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667