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 1iqy_1_B DATA FIRST_RESID 9 DATA SEQUENCE ASPFRLASAG EISEVQGILR TAGLLGPEKR IAYLGVLDPA RGAGSEAEDR DATA SEQUENCE RFRVFIHDVS GARPQEVTVS VTNGTVISAV ELDTAATGEL PVLEEEFEVV DATA SEQUENCE EQLLATDERW LKALAARNLD VSKVRVAPLS AGVFEYAEER GRRILRGLAF DATA SEQUENCE VQDFPEDSAW AHPVDGLVAY VDVVSKEVTR VIDTGVFPVP AEHGNYTDPE DATA SEQUENCE LTGPLRTTQK PISITQPEGP SFTVTGGNHI EWEKWSLDVG FDVREGVVLH DATA SEQUENCE NIAFRDGDRL RPIINRASIA EMVVPYGDPS PIRSWQNYFD TGEYLVGQYA DATA SEQUENCE NSLELGCDcL GDITYLSPVI SDAFGNPREI RNGIcMHEED WGILAKHSDL DATA SEQUENCE WSGINYTRRN RRMVISFFTT IGNXDYGFYW YLYLDGTIEF EAKATGVVFT DATA SEQUENCE SAFPEGGSDN ISQLAPGLGA PFHQHIFSAR LDMAIDGFTN RVEEEDVVRQ DATA SEQUENCE TMGPGNERGN AFSRKRTVLT RESEAVREAD ARTGRTWIIS NPESKNRLNE DATA SEQUENCE PVGYKLHAHN QPTLLADPGS SIARRAAFAT KDLWVTRYAD DERYPTGDFV DATA SEQUENCE NQHSGGAGLP SYIAQDRDID GQDIVVWHTF GLTHFPRVED WPIMPVDTVG DATA SEQUENCE FKLRPEGFFD RSPVLDVPAN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.586 177.584 0.004 0.000 1.274 9 A CA 0.000 52.041 52.037 0.006 0.000 0.836 9 A CB 0.000 19.010 19.000 0.016 0.000 0.831 10 S N 1.758 117.471 115.700 0.022 0.000 2.537 10 S HA 0.346 4.805 4.470 -0.018 0.000 0.286 10 S C -1.117 173.486 174.600 0.004 0.000 1.299 10 S CA -0.237 57.994 58.200 0.052 0.000 1.067 10 S CB 0.564 63.828 63.200 0.106 0.000 0.864 10 S HN 0.428 nan 8.310 nan 0.000 0.494 11 P HA 0.023 nan 4.420 nan 0.000 0.239 11 P C 0.208 177.204 177.300 -0.507 0.000 1.184 11 P CA 0.710 63.632 63.100 -0.297 0.000 0.760 11 P CB -0.130 31.328 31.700 -0.402 0.000 0.884 12 F N -0.066 119.813 119.950 -0.119 0.000 2.678 12 F HA 0.224 4.740 4.527 -0.017 0.000 0.305 12 F C 1.609 177.346 175.800 -0.105 0.000 1.090 12 F CA -0.739 57.144 58.000 -0.194 0.000 1.272 12 F CB -0.042 38.837 39.000 -0.201 0.000 1.060 12 F HN -0.189 nan 8.300 nan 0.000 0.576 13 R N 1.467 122.009 120.500 0.070 0.000 2.784 13 R HA 0.166 4.495 4.340 -0.018 0.000 0.266 13 R C -0.261 176.066 176.300 0.045 0.000 1.044 13 R CA -0.281 55.862 56.100 0.072 0.000 1.151 13 R CB 0.375 30.708 30.300 0.055 0.000 1.037 13 R HN 0.175 nan 8.270 nan 0.000 0.478 14 L N 2.000 123.263 121.223 0.066 0.000 2.461 14 L HA 0.173 4.502 4.340 -0.018 0.000 0.272 14 L C 0.696 177.603 176.870 0.063 0.000 1.197 14 L CA -0.183 54.697 54.840 0.066 0.000 0.836 14 L CB 0.668 42.772 42.059 0.074 0.000 1.105 14 L HN 0.813 nan 8.230 nan 0.000 0.477 15 A N 2.285 125.153 122.820 0.079 0.000 2.520 15 A HA 0.344 4.654 4.320 -0.018 0.000 0.245 15 A C 0.411 178.066 177.584 0.117 0.000 1.072 15 A CA -0.140 51.989 52.037 0.154 0.000 0.761 15 A CB 0.010 19.161 19.000 0.252 0.000 1.004 15 A HN 0.758 nan 8.150 nan 0.000 0.499 16 S N 1.778 117.542 115.700 0.107 0.000 2.713 16 S HA 0.614 5.073 4.470 -0.018 0.000 0.283 16 S C 1.250 175.870 174.600 0.034 0.000 1.161 16 S CA -0.185 58.049 58.200 0.057 0.000 0.999 16 S CB 1.444 64.669 63.200 0.042 0.000 1.039 16 S HN 1.582 nan 8.310 nan 0.000 0.548 17 A N 1.469 124.297 122.820 0.013 0.000 1.908 17 A HA 0.101 4.410 4.320 -0.018 0.000 0.218 17 A C 2.167 179.736 177.584 -0.025 0.000 1.181 17 A CA 1.888 53.922 52.037 -0.005 0.000 0.627 17 A CB -1.867 17.130 19.000 -0.004 0.000 0.818 17 A HN 1.199 nan 8.150 nan 0.000 0.445 18 G N -0.533 108.256 108.800 -0.018 0.000 2.442 18 G HA2 -0.228 3.722 3.960 -0.018 0.000 0.219 18 G HA3 -0.228 3.722 3.960 -0.018 0.000 0.219 18 G C 1.421 176.280 174.900 -0.067 0.000 1.141 18 G CA 1.010 46.091 45.100 -0.033 0.000 0.763 18 G HN 0.678 nan 8.290 nan 0.000 0.554 19 E N -0.098 120.063 120.200 -0.065 0.000 2.106 19 E HA -0.029 4.310 4.350 -0.018 0.000 0.192 19 E C 2.486 178.867 176.600 -0.366 0.000 0.984 19 E CA 0.456 56.759 56.400 -0.161 0.000 0.806 19 E CB -0.096 29.595 29.700 -0.015 0.000 0.750 19 E HN 0.500 nan 8.360 nan 0.000 0.458 20 I N 0.719 121.137 120.570 -0.254 0.000 2.202 20 I HA -0.226 3.933 4.170 -0.018 0.000 0.242 20 I C 2.373 178.372 176.117 -0.196 0.000 1.091 20 I CA 0.724 61.865 61.300 -0.265 0.000 1.368 20 I CB -0.135 37.795 38.000 -0.117 0.000 1.058 20 I HN -0.020 nan 8.210 nan 0.000 0.410 21 S N 0.214 115.839 115.700 -0.125 0.000 2.382 21 S HA -0.232 4.227 4.470 -0.018 0.000 0.228 21 S C 1.916 176.453 174.600 -0.104 0.000 1.027 21 S CA 1.483 59.631 58.200 -0.087 0.000 0.991 21 S CB -0.234 62.932 63.200 -0.056 0.000 0.823 21 S HN 0.369 nan 8.310 nan 0.000 0.469 22 E N 1.046 121.165 120.200 -0.135 0.000 2.106 22 E HA -0.061 4.279 4.350 -0.018 0.000 0.192 22 E C 1.855 178.359 176.600 -0.160 0.000 0.984 22 E CA 0.705 57.028 56.400 -0.130 0.000 0.806 22 E CB -0.246 29.381 29.700 -0.122 0.000 0.750 22 E HN 0.259 nan 8.360 nan 0.000 0.458 23 V N 0.785 120.543 119.914 -0.260 0.000 2.407 23 V HA -0.259 3.850 4.120 -0.018 0.000 0.248 23 V C 2.518 178.531 176.094 -0.136 0.000 1.055 23 V CA 2.132 64.278 62.300 -0.257 0.000 1.049 23 V CB -0.562 31.001 31.823 -0.433 0.000 0.662 23 V HN 0.391 nan 8.190 nan 0.000 0.455 24 Q N 0.238 119.969 119.800 -0.115 0.000 2.020 24 Q HA -0.171 4.158 4.340 -0.018 0.000 0.202 24 Q C 2.292 178.268 176.000 -0.041 0.000 0.982 24 Q CA 2.126 57.895 55.803 -0.056 0.000 0.838 24 Q CB -0.521 28.194 28.738 -0.039 0.000 0.899 24 Q HN 0.626 nan 8.270 nan 0.000 0.423 25 G N 1.032 109.802 108.800 -0.050 0.000 2.440 25 G HA2 -0.245 3.704 3.960 -0.018 0.000 0.218 25 G HA3 -0.245 3.704 3.960 -0.018 0.000 0.218 25 G C 1.406 176.286 174.900 -0.033 0.000 1.154 25 G CA 0.987 46.064 45.100 -0.037 0.000 0.767 25 G HN 0.383 nan 8.290 nan 0.000 0.552 26 I N 0.208 120.752 120.570 -0.043 0.000 2.315 26 I HA -0.089 4.070 4.170 -0.018 0.000 0.248 26 I C 2.680 178.786 176.117 -0.018 0.000 1.117 26 I CA 0.557 61.838 61.300 -0.031 0.000 1.404 26 I CB -0.142 37.834 38.000 -0.040 0.000 1.071 26 I HN 0.129 nan 8.210 nan 0.000 0.419 27 L N 0.025 121.237 121.223 -0.019 0.000 2.056 27 L HA -0.170 4.159 4.340 -0.018 0.000 0.207 27 L C 2.787 179.658 176.870 0.001 0.000 1.078 27 L CA 1.299 56.138 54.840 -0.002 0.000 0.749 27 L CB -0.509 41.551 42.059 0.003 0.000 0.901 27 L HN 0.154 nan 8.230 nan 0.000 0.433 28 R N -0.529 119.969 120.500 -0.004 0.000 2.082 28 R HA -0.149 4.180 4.340 -0.018 0.000 0.234 28 R C 2.273 178.570 176.300 -0.005 0.000 1.136 28 R CA 2.067 58.165 56.100 -0.003 0.000 0.935 28 R CB -0.789 29.507 30.300 -0.007 0.000 0.842 28 R HN 0.265 nan 8.270 nan 0.000 0.430 29 T N 0.751 115.299 114.554 -0.009 0.000 2.721 29 T HA -0.203 4.136 4.350 -0.018 0.000 0.268 29 T C 1.635 176.332 174.700 -0.005 0.000 1.038 29 T CA 1.610 63.705 62.100 -0.008 0.000 1.145 29 T CB -0.197 68.664 68.868 -0.011 0.000 0.858 29 T HN 0.414 nan 8.240 nan 0.000 0.459 30 A N 0.120 122.938 122.820 -0.002 0.000 2.238 30 A HA 0.517 4.826 4.320 -0.018 0.000 0.208 30 A C 1.807 179.392 177.584 0.002 0.000 1.177 30 A CA 0.733 52.770 52.037 0.001 0.000 0.804 30 A CB -0.690 18.313 19.000 0.005 0.000 0.823 30 A HN 0.759 nan 8.150 nan 0.000 0.482 31 G N -1.128 107.673 108.800 0.001 0.000 2.176 31 G HA2 -0.242 3.708 3.960 -0.018 0.000 0.252 31 G HA3 -0.242 3.708 3.960 -0.018 0.000 0.252 31 G C 0.525 175.427 174.900 0.004 0.000 1.024 31 G CA 0.567 45.668 45.100 0.001 0.000 0.755 31 G HN 0.499 nan 8.290 nan 0.000 0.507 32 L N -1.575 119.653 121.223 0.009 0.000 2.590 32 L HA 0.449 4.779 4.340 -0.018 0.000 0.227 32 L C 1.245 178.128 176.870 0.022 0.000 1.099 32 L CA 0.135 54.985 54.840 0.016 0.000 0.872 32 L CB 0.526 42.599 42.059 0.024 0.000 1.088 32 L HN 0.208 nan 8.230 nan 0.000 0.479 33 L N 0.568 121.803 121.223 0.020 0.000 2.839 33 L HA 0.481 4.811 4.340 -0.018 0.000 0.259 33 L C 0.741 177.627 176.870 0.026 0.000 1.369 33 L CA -0.236 54.623 54.840 0.031 0.000 0.845 33 L CB 0.332 42.412 42.059 0.035 0.000 1.181 33 L HN -0.053 nan 8.230 nan 0.000 0.529 34 G N 0.630 109.440 108.800 0.016 0.000 2.583 34 G HA2 0.227 4.176 3.960 -0.018 0.000 0.275 34 G HA3 0.227 4.176 3.960 -0.018 0.000 0.275 34 G C -1.670 173.239 174.900 0.015 0.000 1.342 34 G CA -0.580 44.524 45.100 0.007 0.000 1.030 34 G HN 0.382 nan 8.290 nan 0.000 0.520 35 P HA 0.043 nan 4.420 nan 0.000 0.226 35 P C 1.234 178.548 177.300 0.024 0.000 1.153 35 P CA 0.720 63.816 63.100 -0.006 0.000 0.777 35 P CB 0.357 32.038 31.700 -0.031 0.000 0.794 36 E N -0.612 119.597 120.200 0.014 0.000 2.479 36 E HA 0.061 4.400 4.350 -0.018 0.000 0.193 36 E C 0.267 176.864 176.600 -0.004 0.000 1.049 36 E CA 0.488 56.890 56.400 0.003 0.000 0.870 36 E CB 0.083 29.765 29.700 -0.029 0.000 0.944 36 E HN 0.312 nan 8.360 nan 0.000 0.492 37 K N 1.386 121.809 120.400 0.039 0.000 2.110 37 K HA 0.388 4.697 4.320 -0.018 0.000 0.263 37 K C 0.341 177.010 176.600 0.116 0.000 0.975 37 K CA -0.567 55.745 56.287 0.041 0.000 0.895 37 K CB 1.640 34.167 32.500 0.046 0.000 1.060 37 K HN -0.178 nan 8.250 nan 0.000 0.448 38 R N 1.746 122.299 120.500 0.088 0.000 2.621 38 R HA 0.427 4.756 4.340 -0.018 0.000 0.284 38 R C -0.276 176.067 176.300 0.071 0.000 0.998 38 R CA -0.904 55.234 56.100 0.064 0.000 0.895 38 R CB 1.274 31.631 30.300 0.095 0.000 1.195 38 R HN 0.485 nan 8.270 nan 0.000 0.450 39 I N 2.767 123.339 120.570 0.004 0.000 2.347 39 I HA 0.098 4.257 4.170 -0.018 0.000 0.294 39 I C 1.441 177.576 176.117 0.031 0.000 1.090 39 I CA 0.132 61.448 61.300 0.027 0.000 1.314 39 I CB 0.523 38.505 38.000 -0.030 0.000 1.423 39 I HN 0.709 nan 8.210 nan 0.000 0.503 40 A N 6.758 129.657 122.820 0.131 0.000 2.021 40 A HA -0.048 4.262 4.320 -0.018 0.000 0.216 40 A C 0.552 178.248 177.584 0.187 0.000 1.163 40 A CA 0.848 52.972 52.037 0.145 0.000 0.676 40 A CB 0.108 19.237 19.000 0.216 0.000 0.818 40 A HN 0.675 nan 8.150 nan 0.000 0.453 41 Y N -1.904 118.408 120.300 0.020 0.000 2.436 41 Y HA 0.561 5.100 4.550 -0.018 0.000 0.327 41 Y C -1.752 174.030 175.900 -0.197 0.000 1.138 41 Y CA -1.064 56.939 58.100 -0.162 0.000 1.042 41 Y CB 1.185 39.382 38.460 -0.438 0.000 1.302 41 Y HN 0.126 nan 8.280 nan 0.000 0.439 42 L N 5.937 126.528 121.223 -1.053 0.000 2.438 42 L HA 0.995 5.324 4.340 -0.018 0.000 0.270 42 L C -1.099 175.261 176.870 -0.849 0.000 0.972 42 L CA -0.320 54.086 54.840 -0.723 0.000 0.831 42 L CB 1.908 43.809 42.059 -0.263 0.000 1.273 42 L HN 0.919 nan 8.230 nan 0.000 0.405 43 G N 3.185 111.650 108.800 -0.558 0.000 2.742 43 G HA2 0.451 4.400 3.960 -0.018 0.000 0.296 43 G HA3 0.451 4.400 3.960 -0.018 0.000 0.296 43 G C -1.791 172.960 174.900 -0.247 0.000 1.436 43 G CA -0.541 44.381 45.100 -0.296 0.000 0.928 43 G HN 0.491 nan 8.290 nan 0.000 0.520 44 V N 2.105 121.703 119.914 -0.527 0.000 2.811 44 V HA 0.536 4.645 4.120 -0.018 0.000 0.302 44 V C 0.197 176.028 176.094 -0.438 0.000 1.063 44 V CA -0.293 61.425 62.300 -0.970 0.000 1.088 44 V CB 0.765 31.961 31.823 -1.045 0.000 0.982 44 V HN 0.558 nan 8.190 nan 0.000 0.485 45 L N 4.962 125.951 121.223 -0.390 0.000 2.343 45 L HA 0.503 4.832 4.340 -0.018 0.000 0.275 45 L C -0.076 176.654 176.870 -0.234 0.000 1.056 45 L CA -0.857 53.858 54.840 -0.209 0.000 0.804 45 L CB 1.306 43.285 42.059 -0.134 0.000 1.203 45 L HN 0.588 nan 8.230 nan 0.000 0.440 46 D N 1.963 122.269 120.400 -0.157 0.000 2.341 46 D HA 0.227 4.856 4.640 -0.018 0.000 0.245 46 D C -2.055 174.113 176.300 -0.220 0.000 1.106 46 D CA -0.876 53.004 54.000 -0.200 0.000 0.905 46 D CB 0.602 41.403 40.800 0.002 0.000 1.202 46 D HN 0.235 nan 8.370 nan 0.000 0.426 47 P HA 0.123 nan 4.420 nan 0.000 0.267 47 P C -0.576 176.658 177.300 -0.110 0.000 1.200 47 P CA -0.140 62.805 63.100 -0.258 0.000 0.772 47 P CB 0.476 31.956 31.700 -0.367 0.000 0.855 48 A N 3.147 125.921 122.820 -0.077 0.000 2.429 48 A HA 0.143 4.453 4.320 -0.018 0.000 0.242 48 A C 0.558 178.115 177.584 -0.046 0.000 1.088 48 A CA -0.043 51.971 52.037 -0.039 0.000 0.784 48 A CB 0.044 19.024 19.000 -0.033 0.000 1.038 48 A HN 0.398 nan 8.150 nan 0.000 0.501 49 R N -0.261 120.201 120.500 -0.063 0.000 2.590 49 R HA 0.331 4.661 4.340 -0.018 0.000 0.274 49 R C 1.591 177.842 176.300 -0.082 0.000 1.061 49 R CA 1.127 57.142 56.100 -0.140 0.000 1.081 49 R CB -0.165 30.005 30.300 -0.216 0.000 0.984 49 R HN 1.632 nan 8.270 nan 0.000 0.448 50 G N 1.582 110.343 108.800 -0.065 0.000 2.779 50 G HA2 -0.363 3.587 3.960 -0.018 0.000 0.230 50 G HA3 -0.363 3.587 3.960 -0.018 0.000 0.230 50 G C 0.267 175.178 174.900 0.020 0.000 1.243 50 G CA 0.653 45.751 45.100 -0.003 0.000 0.769 50 G HN 1.581 nan 8.290 nan 0.000 0.516 51 A N -1.242 121.579 122.820 0.001 0.000 3.040 51 A HA 0.384 4.693 4.320 -0.018 0.000 0.279 51 A C 1.841 179.425 177.584 0.001 0.000 1.380 51 A CA 1.458 53.496 52.037 0.001 0.000 0.734 51 A CB -1.546 17.465 19.000 0.019 0.000 1.061 51 A HN 2.443 nan 8.150 nan 0.000 0.446 52 G N 0.173 108.969 108.800 -0.005 0.000 3.141 52 G HA2 0.425 4.375 3.960 -0.018 0.000 0.218 52 G HA3 0.425 4.375 3.960 -0.018 0.000 0.218 52 G C 0.561 175.457 174.900 -0.006 0.000 1.170 52 G CA 0.951 46.049 45.100 -0.004 0.000 0.769 52 G HN 1.871 nan 8.290 nan 0.000 0.546 53 S N -0.025 115.668 115.700 -0.011 0.000 2.480 53 S HA 0.434 4.893 4.470 -0.018 0.000 0.286 53 S C -0.268 174.325 174.600 -0.012 0.000 1.180 53 S CA -0.728 57.464 58.200 -0.014 0.000 1.075 53 S CB 2.451 65.638 63.200 -0.021 0.000 0.996 53 S HN 0.086 nan 8.310 nan 0.000 0.487 54 E N 2.055 122.249 120.200 -0.010 0.000 2.265 54 E HA 0.424 4.763 4.350 -0.018 0.000 0.272 54 E C 0.745 177.338 176.600 -0.011 0.000 1.067 54 E CA 0.759 57.154 56.400 -0.008 0.000 0.900 54 E CB 0.648 30.345 29.700 -0.005 0.000 1.017 54 E HN 1.098 nan 8.360 nan 0.000 0.431 55 A N 3.903 126.715 122.820 -0.012 0.000 6.643 55 A HA -0.260 4.050 4.320 -0.018 0.000 0.230 55 A C -0.002 177.566 177.584 -0.026 0.000 2.273 55 A CA 0.913 52.940 52.037 -0.016 0.000 0.690 55 A CB -0.999 17.994 19.000 -0.012 0.000 0.908 55 A HN 0.769 nan 8.150 nan 0.000 0.366 56 E N 0.243 120.425 120.200 -0.030 0.000 2.354 56 E HA 0.524 4.864 4.350 -0.018 0.000 0.269 56 E C -0.441 176.136 176.600 -0.038 0.000 1.036 56 E CA 0.249 56.622 56.400 -0.045 0.000 0.876 56 E CB 1.002 30.676 29.700 -0.044 0.000 1.009 56 E HN 0.622 nan 8.360 nan 0.000 0.416 57 D N 2.338 122.706 120.400 -0.053 0.000 2.405 57 D HA 0.116 4.745 4.640 -0.018 0.000 0.264 57 D C -1.011 175.262 176.300 -0.046 0.000 1.240 57 D CA -0.641 53.338 54.000 -0.035 0.000 0.893 57 D CB 0.396 41.177 40.800 -0.031 0.000 1.198 57 D HN 0.262 nan 8.370 nan 0.000 0.514 58 R N 2.864 123.354 120.500 -0.016 0.000 2.345 58 R HA 0.291 4.620 4.340 -0.018 0.000 0.331 58 R C 0.248 176.598 176.300 0.084 0.000 1.067 58 R CA -0.027 56.070 56.100 -0.005 0.000 0.962 58 R CB 0.278 30.628 30.300 0.083 0.000 0.987 58 R HN 0.334 nan 8.270 nan 0.000 0.451 59 R N 2.375 122.866 120.500 -0.016 0.000 2.604 59 R HA 0.482 4.812 4.340 -0.018 0.000 0.287 59 R C -0.618 175.677 176.300 -0.008 0.000 0.970 59 R CA -0.599 55.544 56.100 0.070 0.000 0.946 59 R CB 1.309 31.614 30.300 0.008 0.000 1.127 59 R HN 0.218 nan 8.270 nan 0.000 0.473 60 F N 0.681 120.615 119.950 -0.027 0.000 2.540 60 F HA 0.467 4.983 4.527 -0.018 0.000 0.317 60 F C 0.370 176.170 175.800 -0.000 0.000 1.104 60 F CA -0.824 57.158 58.000 -0.031 0.000 0.913 60 F CB 1.840 40.810 39.000 -0.051 0.000 1.170 60 F HN 0.198 nan 8.300 nan 0.000 0.450 61 R N 1.827 122.429 120.500 0.169 0.000 2.532 61 R HA 0.885 5.214 4.340 -0.018 0.000 0.295 61 R C -1.780 174.614 176.300 0.156 0.000 0.968 61 R CA -0.561 55.644 56.100 0.175 0.000 0.916 61 R CB 1.578 31.981 30.300 0.172 0.000 1.124 61 R HN 0.559 nan 8.270 nan 0.000 0.463 62 V N 4.026 124.060 119.914 0.200 0.000 2.925 62 V HA 0.515 4.625 4.120 -0.018 0.000 0.311 62 V C -1.224 175.142 176.094 0.453 0.000 1.104 62 V CA -0.836 61.573 62.300 0.182 0.000 0.954 62 V CB 2.076 33.975 31.823 0.128 0.000 1.022 62 V HN 0.563 nan 8.190 nan 0.000 0.427 63 F N 3.702 123.813 119.950 0.268 0.000 2.402 63 F HA 0.636 5.152 4.527 -0.018 0.000 0.355 63 F C 0.045 175.937 175.800 0.153 0.000 1.123 63 F CA -1.715 56.428 58.000 0.238 0.000 1.021 63 F CB 1.402 40.584 39.000 0.302 0.000 1.160 63 F HN 0.205 nan 8.300 nan 0.000 0.451 64 I N 3.870 124.614 120.570 0.289 0.000 2.355 64 I HA 0.229 4.389 4.170 -0.018 0.000 0.288 64 I C -0.313 175.898 176.117 0.157 0.000 0.999 64 I CA -0.756 60.653 61.300 0.180 0.000 1.163 64 I CB 1.451 39.521 38.000 0.118 0.000 1.316 64 I HN 0.519 nan 8.210 nan 0.000 0.454 65 H N 5.829 124.930 119.070 0.051 0.000 2.483 65 H HA 0.332 4.878 4.556 -0.018 0.000 0.338 65 H C -1.149 174.187 175.328 0.013 0.000 1.152 65 H CA -0.359 55.697 56.048 0.014 0.000 1.264 65 H CB 1.506 31.273 29.762 0.008 0.000 1.510 65 H HN 0.536 nan 8.280 nan 0.000 0.530 66 D N 4.383 124.376 120.400 -0.678 0.000 2.440 66 D HA 0.075 4.705 4.640 -0.018 0.000 0.239 66 D C 1.215 177.082 176.300 -0.721 0.000 1.084 66 D CA -0.435 53.259 54.000 -0.511 0.000 0.843 66 D CB 1.474 42.136 40.800 -0.231 0.000 1.097 66 D HN 0.524 nan 8.370 nan 0.000 0.531 67 V N 2.291 121.927 119.914 -0.464 0.000 2.867 67 V HA -0.133 3.976 4.120 -0.018 0.000 0.260 67 V C 1.682 177.717 176.094 -0.097 0.000 1.099 67 V CA 1.971 64.150 62.300 -0.202 0.000 1.122 67 V CB -0.761 31.050 31.823 -0.019 0.000 0.708 67 V HN 0.503 nan 8.190 nan 0.000 0.490 68 S N -0.353 115.281 115.700 -0.109 0.000 2.558 68 S HA 0.439 4.898 4.470 -0.018 0.000 0.217 68 S C 1.701 176.268 174.600 -0.054 0.000 0.975 68 S CA 0.769 58.934 58.200 -0.058 0.000 0.912 68 S CB 0.316 63.488 63.200 -0.047 0.000 0.776 68 S HN 1.782 nan 8.310 nan 0.000 0.526 69 G N 0.508 109.260 108.800 -0.080 0.000 2.184 69 G HA2 -0.029 3.921 3.960 -0.018 0.000 0.206 69 G HA3 -0.029 3.921 3.960 -0.018 0.000 0.206 69 G C 0.307 175.176 174.900 -0.053 0.000 0.995 69 G CA -0.145 44.928 45.100 -0.046 0.000 0.651 69 G HN 1.172 nan 8.290 nan 0.000 0.511 70 A N 0.487 123.264 122.820 -0.072 0.000 2.448 70 A HA 0.628 4.937 4.320 -0.018 0.000 0.239 70 A C 0.951 178.497 177.584 -0.065 0.000 1.080 70 A CA 0.119 52.119 52.037 -0.062 0.000 0.779 70 A CB 0.210 19.173 19.000 -0.062 0.000 1.026 70 A HN 0.515 nan 8.150 nan 0.000 0.499 71 R N 1.252 121.717 120.500 -0.058 0.000 2.570 71 R HA 0.182 4.511 4.340 -0.018 0.000 0.277 71 R C -2.189 174.069 176.300 -0.069 0.000 1.039 71 R CA -0.894 55.166 56.100 -0.067 0.000 1.065 71 R CB -0.060 30.199 30.300 -0.069 0.000 0.964 71 R HN 0.597 nan 8.270 nan 0.000 0.428 72 P HA 0.080 nan 4.420 nan 0.000 0.277 72 P C -1.011 176.244 177.300 -0.075 0.000 1.271 72 P CA -0.321 62.742 63.100 -0.061 0.000 0.795 72 P CB 0.892 32.555 31.700 -0.062 0.000 1.101 73 Q N -0.693 119.093 119.800 -0.023 0.000 2.389 73 Q HA 0.365 4.695 4.340 -0.018 0.000 0.277 73 Q C -0.786 175.263 176.000 0.082 0.000 1.082 73 Q CA -0.676 55.130 55.803 0.004 0.000 0.810 73 Q CB 2.655 31.411 28.738 0.029 0.000 1.374 73 Q HN 0.453 nan 8.270 nan 0.000 0.422 74 E N 2.054 122.313 120.200 0.098 0.000 2.133 74 E HA 0.461 4.800 4.350 -0.018 0.000 0.274 74 E C -1.462 175.263 176.600 0.208 0.000 0.930 74 E CA -0.510 56.039 56.400 0.248 0.000 0.770 74 E CB 1.259 31.105 29.700 0.244 0.000 1.104 74 E HN 0.320 nan 8.360 nan 0.000 0.403 75 V N 3.409 123.468 119.914 0.242 0.000 2.709 75 V HA 0.388 4.497 4.120 -0.018 0.000 0.308 75 V C -0.292 175.900 176.094 0.163 0.000 1.062 75 V CA -0.809 61.588 62.300 0.162 0.000 0.901 75 V CB 2.224 34.121 31.823 0.123 0.000 1.003 75 V HN 0.694 nan 8.190 nan 0.000 0.425 76 T N 3.854 118.481 114.554 0.123 0.000 2.792 76 T HA 0.648 4.988 4.350 -0.018 0.000 0.280 76 T C -0.390 174.366 174.700 0.094 0.000 0.990 76 T CA -0.409 61.760 62.100 0.115 0.000 0.960 76 T CB 1.510 70.432 68.868 0.089 0.000 0.939 76 T HN 0.812 nan 8.240 nan 0.000 0.439 77 V N 0.858 120.838 119.914 0.109 0.000 2.960 77 V HA 0.902 5.012 4.120 -0.018 0.000 0.315 77 V C -0.098 176.057 176.094 0.102 0.000 1.087 77 V CA -0.918 61.431 62.300 0.081 0.000 0.982 77 V CB 2.139 33.990 31.823 0.047 0.000 1.039 77 V HN 0.759 nan 8.190 nan 0.000 0.437 78 S N 2.363 118.102 115.700 0.066 0.000 2.474 78 S HA 0.311 4.770 4.470 -0.018 0.000 0.320 78 S C 0.583 175.215 174.600 0.054 0.000 1.067 78 S CA 0.110 58.351 58.200 0.068 0.000 1.127 78 S CB 0.907 64.129 63.200 0.037 0.000 0.971 78 S HN 1.316 nan 8.310 nan 0.000 0.472 79 V N 5.429 125.394 119.914 0.084 0.000 2.626 79 V HA -0.083 4.026 4.120 -0.018 0.000 0.252 79 V C 2.012 178.116 176.094 0.017 0.000 1.067 79 V CA 2.719 65.026 62.300 0.013 0.000 1.081 79 V CB -0.850 30.952 31.823 -0.035 0.000 0.686 79 V HN 0.982 nan 8.190 nan 0.000 0.468 80 T N 1.088 115.665 114.554 0.038 0.000 2.701 80 T HA -0.113 4.226 4.350 -0.018 0.000 0.263 80 T C 1.557 176.261 174.700 0.008 0.000 1.040 80 T CA 1.786 63.898 62.100 0.019 0.000 1.147 80 T CB -0.346 68.531 68.868 0.016 0.000 0.865 80 T HN 0.522 nan 8.240 nan 0.000 0.426 81 N N 0.569 119.275 118.700 0.009 0.000 2.398 81 N HA 0.149 4.879 4.740 -0.018 0.000 0.188 81 N C 1.304 176.815 175.510 0.001 0.000 1.122 81 N CA 0.592 53.644 53.050 0.004 0.000 0.866 81 N CB 0.051 38.541 38.487 0.005 0.000 0.970 81 N HN 0.541 nan 8.380 nan 0.000 0.462 82 G N 1.485 110.284 108.800 -0.002 0.000 2.273 82 G HA2 -0.281 3.669 3.960 -0.018 0.000 0.280 82 G HA3 -0.281 3.669 3.960 -0.018 0.000 0.280 82 G C 0.213 175.110 174.900 -0.005 0.000 1.047 82 G CA 1.106 46.200 45.100 -0.010 0.000 0.869 82 G HN 0.529 nan 8.290 nan 0.000 0.502 83 T N -3.959 110.597 114.554 0.003 0.000 2.907 83 T HA 0.727 5.066 4.350 -0.018 0.000 0.290 83 T C -0.399 174.310 174.700 0.015 0.000 1.066 83 T CA -0.649 61.455 62.100 0.007 0.000 1.012 83 T CB 2.842 71.715 68.868 0.009 0.000 1.184 83 T HN 0.729 nan 8.240 nan 0.000 0.522 84 V N 2.924 122.848 119.914 0.017 0.000 2.347 84 V HA 0.251 4.360 4.120 -0.018 0.000 0.280 84 V C 0.875 176.985 176.094 0.027 0.000 1.021 84 V CA -0.776 61.539 62.300 0.025 0.000 0.847 84 V CB 0.799 32.636 31.823 0.023 0.000 0.990 84 V HN 0.811 nan 8.190 nan 0.000 0.444 85 I N 3.137 123.728 120.570 0.034 0.000 2.233 85 I HA 0.017 4.176 4.170 -0.018 0.000 0.243 85 I C 1.087 177.223 176.117 0.031 0.000 1.093 85 I CA 1.206 62.524 61.300 0.030 0.000 1.380 85 I CB -0.520 37.500 38.000 0.034 0.000 1.067 85 I HN 0.771 nan 8.210 nan 0.000 0.413 86 S N -0.539 115.186 115.700 0.042 0.000 2.565 86 S HA 0.826 5.285 4.470 -0.018 0.000 0.269 86 S C -0.908 173.725 174.600 0.054 0.000 1.153 86 S CA -0.415 57.810 58.200 0.042 0.000 0.835 86 S CB 2.627 65.853 63.200 0.043 0.000 1.122 86 S HN 0.358 nan 8.310 nan 0.000 0.462 87 A N 0.951 123.799 122.820 0.047 0.000 2.579 87 A HA 0.626 4.936 4.320 -0.018 0.000 0.288 87 A C -0.650 176.956 177.584 0.036 0.000 1.079 87 A CA -0.343 51.725 52.037 0.052 0.000 0.889 87 A CB 0.478 19.503 19.000 0.041 0.000 1.439 87 A HN 2.057 nan 8.150 nan 0.000 0.399 88 V N -0.137 119.800 119.914 0.039 0.000 2.581 88 V HA 0.743 4.852 4.120 -0.018 0.000 0.303 88 V C -0.035 176.054 176.094 -0.008 0.000 1.041 88 V CA -0.772 61.536 62.300 0.014 0.000 0.907 88 V CB 1.577 33.410 31.823 0.016 0.000 0.994 88 V HN 0.864 nan 8.190 nan 0.000 0.442 89 E N 2.926 123.110 120.200 -0.026 0.000 2.331 89 E HA 0.540 4.880 4.350 -0.018 0.000 0.272 89 E C -1.173 175.375 176.600 -0.088 0.000 1.036 89 E CA -0.590 55.779 56.400 -0.051 0.000 0.864 89 E CB 1.234 30.908 29.700 -0.043 0.000 1.035 89 E HN 0.752 nan 8.360 nan 0.000 0.408 90 L N 3.420 124.558 121.223 -0.141 0.000 2.307 90 L HA 0.278 4.607 4.340 -0.018 0.000 0.284 90 L C -0.018 176.733 176.870 -0.198 0.000 1.023 90 L CA -0.721 53.988 54.840 -0.219 0.000 0.810 90 L CB 1.367 43.182 42.059 -0.406 0.000 1.231 90 L HN 0.491 nan 8.230 nan 0.000 0.423 91 D N 1.654 121.946 120.400 -0.179 0.000 2.494 91 D HA 0.029 4.658 4.640 -0.018 0.000 0.217 91 D C 1.388 177.576 176.300 -0.187 0.000 1.153 91 D CA -0.150 53.764 54.000 -0.143 0.000 0.954 91 D CB 1.073 41.814 40.800 -0.098 0.000 1.034 91 D HN 0.714 nan 8.370 nan 0.000 0.518 92 T N 0.432 114.856 114.554 -0.215 0.000 2.822 92 T HA -0.201 4.138 4.350 -0.018 0.000 0.270 92 T C 1.825 176.431 174.700 -0.156 0.000 1.064 92 T CA 1.143 63.096 62.100 -0.245 0.000 1.131 92 T CB -0.081 68.652 68.868 -0.226 0.000 0.858 92 T HN 0.244 nan 8.240 nan 0.000 0.483 93 A N 1.246 124.006 122.820 -0.100 0.000 2.015 93 A HA 0.440 4.749 4.320 -0.018 0.000 0.219 93 A C 2.677 180.244 177.584 -0.029 0.000 1.163 93 A CA 1.606 53.611 52.037 -0.053 0.000 0.646 93 A CB -1.074 17.901 19.000 -0.040 0.000 0.806 93 A HN 0.776 nan 8.150 nan 0.000 0.448 94 A N -0.667 122.122 122.820 -0.053 0.000 1.862 94 A HA 0.085 4.395 4.320 -0.018 0.000 0.211 94 A C 2.251 179.829 177.584 -0.012 0.000 1.220 94 A CA 1.885 53.911 52.037 -0.018 0.000 0.616 94 A CB -0.976 18.002 19.000 -0.037 0.000 0.878 94 A HN 0.696 nan 8.150 nan 0.000 0.453 95 T N -3.176 111.276 114.554 -0.170 0.000 3.107 95 T HA 0.459 4.799 4.350 -0.018 0.000 0.249 95 T C 0.845 175.115 174.700 -0.717 0.000 1.096 95 T CA 0.871 62.751 62.100 -0.366 0.000 1.012 95 T CB -0.361 68.375 68.868 -0.220 0.000 0.977 95 T HN 1.955 nan 8.240 nan 0.000 0.527 96 G N 0.995 109.506 108.800 -0.481 0.000 2.697 96 G HA2 0.030 3.979 3.960 -0.018 0.000 0.686 96 G HA3 0.030 3.979 3.960 -0.018 0.000 0.686 96 G C -0.973 173.730 174.900 -0.329 0.000 1.179 96 G CA -1.062 43.837 45.100 -0.336 0.000 0.765 96 G HN 0.270 nan 8.290 nan 0.000 0.649 97 E N 0.290 120.376 120.200 -0.190 0.000 2.371 97 E HA 0.460 4.799 4.350 -0.018 0.000 0.257 97 E C 1.295 177.793 176.600 -0.169 0.000 1.134 97 E CA -0.444 55.838 56.400 -0.197 0.000 0.919 97 E CB 0.700 30.331 29.700 -0.115 0.000 1.025 97 E HN 0.510 nan 8.360 nan 0.000 0.438 98 L N 1.576 122.703 121.223 -0.161 0.000 2.466 98 L HA 0.217 4.546 4.340 -0.018 0.000 0.257 98 L C -1.914 174.964 176.870 0.014 0.000 1.189 98 L CA -1.769 53.055 54.840 -0.027 0.000 0.813 98 L CB -0.229 41.828 42.059 -0.003 0.000 1.118 98 L HN 0.129 nan 8.230 nan 0.000 0.471 99 P HA -0.040 nan 4.420 nan 0.000 0.267 99 P C -0.596 176.698 177.300 -0.010 0.000 1.201 99 P CA -0.179 62.958 63.100 0.062 0.000 0.775 99 P CB 0.394 32.181 31.700 0.144 0.000 0.854 100 V N 4.028 123.926 119.914 -0.027 0.000 2.585 100 V HA -0.042 4.067 4.120 -0.018 0.000 0.296 100 V C 0.835 176.831 176.094 -0.164 0.000 1.035 100 V CA 0.302 62.541 62.300 -0.101 0.000 1.084 100 V CB -0.326 31.487 31.823 -0.018 0.000 0.953 100 V HN 0.342 nan 8.190 nan 0.000 0.483 101 L N 3.738 124.802 121.223 -0.267 0.000 2.371 101 L HA 0.233 4.562 4.340 -0.018 0.000 0.272 101 L C 1.655 178.271 176.870 -0.423 0.000 1.124 101 L CA 0.066 54.758 54.840 -0.248 0.000 0.816 101 L CB 0.760 42.694 42.059 -0.207 0.000 1.129 101 L HN 0.761 nan 8.230 nan 0.000 0.448 102 E N 1.881 121.942 120.200 -0.232 0.000 2.160 102 E HA -0.252 4.087 4.350 -0.018 0.000 0.195 102 E C 1.516 178.061 176.600 -0.091 0.000 0.991 102 E CA 1.721 58.048 56.400 -0.121 0.000 0.810 102 E CB 0.254 30.065 29.700 0.185 0.000 0.742 102 E HN 0.785 nan 8.360 nan 0.000 0.466 103 E N 0.003 120.152 120.200 -0.085 0.000 2.274 103 E HA -0.177 4.163 4.350 -0.018 0.000 0.194 103 E C 1.403 177.994 176.600 -0.015 0.000 0.996 103 E CA 0.881 57.276 56.400 -0.008 0.000 0.840 103 E CB -0.107 29.591 29.700 -0.003 0.000 0.772 103 E HN 0.358 nan 8.360 nan 0.000 0.491 104 E N -0.054 120.070 120.200 -0.126 0.000 2.427 104 E HA -0.041 4.299 4.350 -0.018 0.000 0.196 104 E C 1.208 177.838 176.600 0.050 0.000 1.028 104 E CA 0.183 56.541 56.400 -0.070 0.000 0.864 104 E CB -0.071 29.547 29.700 -0.136 0.000 0.813 104 E HN 0.220 nan 8.360 nan 0.000 0.514 105 F N 2.281 122.277 119.950 0.077 0.000 2.075 105 F HA -0.186 4.330 4.527 -0.018 0.000 0.297 105 F C 2.441 178.272 175.800 0.051 0.000 1.113 105 F CA 1.518 59.562 58.000 0.073 0.000 1.218 105 F CB -0.889 38.155 39.000 0.073 0.000 0.984 105 F HN 0.101 nan 8.300 nan 0.000 0.472 106 E N -0.058 120.295 120.200 0.255 0.000 2.204 106 E HA -0.130 4.210 4.350 -0.018 0.000 0.195 106 E C 2.113 178.769 176.600 0.093 0.000 0.990 106 E CA 1.424 57.911 56.400 0.145 0.000 0.821 106 E CB -0.874 28.899 29.700 0.121 0.000 0.750 106 E HN 0.251 nan 8.360 nan 0.000 0.477 107 V N 1.728 121.694 119.914 0.087 0.000 2.392 107 V HA -0.269 3.840 4.120 -0.018 0.000 0.249 107 V C 2.505 178.607 176.094 0.014 0.000 1.059 107 V CA 1.611 63.938 62.300 0.045 0.000 1.051 107 V CB -0.332 31.515 31.823 0.039 0.000 0.658 107 V HN 0.210 nan 8.190 nan 0.000 0.455 108 V N -0.147 119.783 119.914 0.027 0.000 2.287 108 V HA -0.323 3.786 4.120 -0.018 0.000 0.248 108 V C 2.418 178.445 176.094 -0.111 0.000 1.053 108 V CA 2.486 64.766 62.300 -0.034 0.000 1.027 108 V CB -0.601 31.230 31.823 0.012 0.000 0.646 108 V HN 0.668 nan 8.190 nan 0.000 0.447 109 E N 0.169 120.336 120.200 -0.055 0.000 2.072 109 E HA -0.253 4.087 4.350 -0.018 0.000 0.191 109 E C 2.377 178.932 176.600 -0.075 0.000 0.985 109 E CA 1.299 57.655 56.400 -0.074 0.000 0.801 109 E CB -0.075 29.631 29.700 0.010 0.000 0.750 109 E HN 0.829 nan 8.360 nan 0.000 0.452 110 Q N 0.198 119.979 119.800 -0.032 0.000 2.119 110 Q HA -0.153 4.176 4.340 -0.018 0.000 0.201 110 Q C 2.318 178.293 176.000 -0.042 0.000 0.972 110 Q CA 1.060 56.853 55.803 -0.018 0.000 0.847 110 Q CB -0.335 28.408 28.738 0.009 0.000 0.903 110 Q HN 0.342 nan 8.270 nan 0.000 0.433 111 L N 0.473 121.654 121.223 -0.070 0.000 2.109 111 L HA -0.103 4.226 4.340 -0.018 0.000 0.207 111 L C 2.427 179.219 176.870 -0.130 0.000 1.086 111 L CA 0.723 55.516 54.840 -0.079 0.000 0.760 111 L CB -0.290 41.722 42.059 -0.078 0.000 0.910 111 L HN 0.210 nan 8.230 nan 0.000 0.437 112 L N -0.375 120.695 121.223 -0.256 0.000 2.217 112 L HA -0.105 4.224 4.340 -0.018 0.000 0.211 112 L C 2.759 179.520 176.870 -0.182 0.000 1.107 112 L CA 0.743 55.311 54.840 -0.453 0.000 0.783 112 L CB -0.622 40.742 42.059 -1.159 0.000 0.919 112 L HN 0.202 nan 8.230 nan 0.000 0.442 113 A N -0.186 122.603 122.820 -0.052 0.000 2.131 113 A HA -0.174 4.136 4.320 -0.018 0.000 0.220 113 A C 2.072 179.713 177.584 0.095 0.000 1.158 113 A CA 2.024 54.119 52.037 0.095 0.000 0.665 113 A CB -0.690 18.350 19.000 0.066 0.000 0.795 113 A HN 0.509 nan 8.150 nan 0.000 0.460 114 T N -3.641 110.943 114.554 0.049 0.000 3.084 114 T HA 0.273 4.612 4.350 -0.018 0.000 0.270 114 T C -0.116 174.614 174.700 0.050 0.000 1.008 114 T CA 0.178 62.307 62.100 0.048 0.000 0.900 114 T CB -0.297 68.585 68.868 0.025 0.000 1.084 114 T HN 0.290 nan 8.240 nan 0.000 0.538 115 D N 1.934 122.374 120.400 0.066 0.000 2.256 115 D HA 0.165 4.794 4.640 -0.018 0.000 0.250 115 D C 1.411 177.780 176.300 0.115 0.000 1.093 115 D CA -0.459 53.583 54.000 0.070 0.000 0.882 115 D CB 1.241 42.073 40.800 0.053 0.000 1.185 115 D HN 0.461 nan 8.370 nan 0.000 0.437 116 E N 3.230 123.475 120.200 0.075 0.000 2.285 116 E HA -0.141 4.199 4.350 -0.018 0.000 0.194 116 E C 1.390 178.034 176.600 0.073 0.000 0.997 116 E CA 0.433 56.873 56.400 0.066 0.000 0.845 116 E CB 0.158 29.880 29.700 0.037 0.000 0.782 116 E HN 0.403 nan 8.360 nan 0.000 0.491 117 R N 0.187 120.739 120.500 0.087 0.000 2.073 117 R HA -0.041 4.288 4.340 -0.018 0.000 0.229 117 R C 2.131 178.517 176.300 0.142 0.000 1.120 117 R CA 1.611 57.761 56.100 0.084 0.000 0.967 117 R CB -0.469 29.873 30.300 0.070 0.000 0.862 117 R HN 0.390 nan 8.270 nan 0.000 0.436 118 W N 1.619 122.900 121.300 -0.032 0.000 2.354 118 W HA -0.191 4.458 4.660 -0.018 0.000 0.315 118 W C 1.530 178.037 176.519 -0.021 0.000 1.206 118 W CA 1.304 58.632 57.345 -0.028 0.000 1.290 118 W CB -0.181 29.266 29.460 -0.021 0.000 1.152 118 W HN 0.082 nan 8.180 nan 0.000 0.489 119 L N 0.739 122.062 121.223 0.167 0.000 2.079 119 L HA -0.274 4.055 4.340 -0.018 0.000 0.210 119 L C 2.599 179.444 176.870 -0.042 0.000 1.081 119 L CA 1.709 56.571 54.840 0.037 0.000 0.752 119 L CB -0.880 41.223 42.059 0.073 0.000 0.896 119 L HN -0.047 nan 8.230 nan 0.000 0.433 120 K N 0.092 120.476 120.400 -0.025 0.000 2.155 120 K HA -0.130 4.179 4.320 -0.018 0.000 0.203 120 K C 2.129 178.673 176.600 -0.094 0.000 1.052 120 K CA 1.056 57.316 56.287 -0.046 0.000 0.948 120 K CB 0.018 32.505 32.500 -0.023 0.000 0.728 120 K HN 0.276 nan 8.250 nan 0.000 0.448 121 A N 1.203 123.935 122.820 -0.146 0.000 1.898 121 A HA -0.077 4.232 4.320 -0.018 0.000 0.216 121 A C 2.037 179.460 177.584 -0.269 0.000 1.181 121 A CA 0.992 52.900 52.037 -0.215 0.000 0.620 121 A CB -0.481 18.339 19.000 -0.301 0.000 0.819 121 A HN 0.261 nan 8.150 nan 0.000 0.442 122 L N -0.793 120.224 121.223 -0.342 0.000 2.056 122 L HA -0.163 4.166 4.340 -0.018 0.000 0.207 122 L C 3.078 179.848 176.870 -0.167 0.000 1.078 122 L CA 1.054 55.715 54.840 -0.298 0.000 0.749 122 L CB -0.660 41.209 42.059 -0.316 0.000 0.901 122 L HN 0.436 nan 8.230 nan 0.000 0.433 123 A N 0.277 123.023 122.820 -0.125 0.000 1.933 123 A HA -0.136 4.173 4.320 -0.018 0.000 0.218 123 A C 2.489 180.028 177.584 -0.076 0.000 1.175 123 A CA 1.597 53.586 52.037 -0.080 0.000 0.628 123 A CB -0.588 18.378 19.000 -0.057 0.000 0.814 123 A HN 0.397 nan 8.150 nan 0.000 0.444 124 A N -0.572 122.196 122.820 -0.087 0.000 2.121 124 A HA -0.071 4.238 4.320 -0.018 0.000 0.218 124 A C 2.029 179.568 177.584 -0.074 0.000 1.154 124 A CA 1.323 53.316 52.037 -0.074 0.000 0.679 124 A CB -0.270 18.684 19.000 -0.077 0.000 0.795 124 A HN 0.553 nan 8.150 nan 0.000 0.458 125 R N -1.015 119.430 120.500 -0.090 0.000 2.472 125 R HA 0.137 4.466 4.340 -0.018 0.000 0.279 125 R C -0.319 175.938 176.300 -0.073 0.000 0.953 125 R CA 0.049 56.101 56.100 -0.081 0.000 1.088 125 R CB 0.284 30.523 30.300 -0.102 0.000 1.197 125 R HN 0.401 nan 8.270 nan 0.000 0.536 126 N N 1.050 119.708 118.700 -0.070 0.000 2.754 126 N HA -0.177 4.553 4.740 -0.018 0.000 0.248 126 N C -0.968 174.505 175.510 -0.062 0.000 1.093 126 N CA 0.950 53.966 53.050 -0.057 0.000 0.699 126 N CB -1.356 37.105 38.487 -0.044 0.000 1.016 126 N HN 0.286 nan 8.380 nan 0.000 0.552 127 L N 0.220 121.394 121.223 -0.081 0.000 2.309 127 L HA 0.334 4.664 4.340 -0.018 0.000 0.282 127 L C 0.672 177.504 176.870 -0.064 0.000 1.036 127 L CA -0.845 53.947 54.840 -0.081 0.000 0.806 127 L CB 1.369 43.361 42.059 -0.113 0.000 1.220 127 L HN -0.089 nan 8.230 nan 0.000 0.429 128 D N 2.162 122.536 120.400 -0.042 0.000 2.339 128 D HA 0.007 4.637 4.640 -0.018 0.000 0.256 128 D C 0.833 177.130 176.300 -0.005 0.000 1.214 128 D CA 0.031 54.020 54.000 -0.020 0.000 0.877 128 D CB 1.783 42.577 40.800 -0.011 0.000 1.111 128 D HN 0.295 nan 8.370 nan 0.000 0.478 129 V N 4.013 123.935 119.914 0.013 0.000 2.453 129 V HA -0.270 3.839 4.120 -0.018 0.000 0.252 129 V C 2.016 178.152 176.094 0.070 0.000 1.068 129 V CA 2.908 65.246 62.300 0.062 0.000 1.070 129 V CB -0.527 31.357 31.823 0.102 0.000 0.664 129 V HN 0.736 nan 8.190 nan 0.000 0.461 130 S N -1.423 114.303 115.700 0.044 0.000 2.547 130 S HA -0.055 4.405 4.470 -0.018 0.000 0.235 130 S C 1.546 176.164 174.600 0.030 0.000 0.980 130 S CA 1.004 59.228 58.200 0.040 0.000 0.941 130 S CB -0.308 62.910 63.200 0.030 0.000 0.763 130 S HN 0.764 nan 8.310 nan 0.000 0.532 131 K N 0.514 120.926 120.400 0.021 0.000 2.402 131 K HA 0.301 4.610 4.320 -0.018 0.000 0.204 131 K C -0.860 175.743 176.600 0.005 0.000 1.056 131 K CA -0.052 56.236 56.287 0.002 0.000 1.069 131 K CB 1.371 33.861 32.500 -0.016 0.000 0.888 131 K HN 0.203 nan 8.250 nan 0.000 0.546 132 V N 3.692 123.631 119.914 0.041 0.000 2.334 132 V HA 0.218 4.327 4.120 -0.018 0.000 0.267 132 V C 0.162 176.324 176.094 0.113 0.000 1.040 132 V CA -0.754 61.588 62.300 0.072 0.000 0.866 132 V CB 0.615 32.499 31.823 0.101 0.000 1.019 132 V HN 0.158 nan 8.190 nan 0.000 0.468 133 R N 3.252 123.796 120.500 0.073 0.000 2.490 133 R HA 0.571 4.900 4.340 -0.018 0.000 0.278 133 R C -0.682 175.706 176.300 0.147 0.000 1.069 133 R CA -0.402 55.733 56.100 0.059 0.000 1.080 133 R CB 1.646 31.913 30.300 -0.055 0.000 1.030 133 R HN 0.427 nan 8.270 nan 0.000 0.491 134 V N 1.668 121.662 119.914 0.132 0.000 2.483 134 V HA 0.379 4.488 4.120 -0.018 0.000 0.297 134 V C -0.074 176.121 176.094 0.169 0.000 1.027 134 V CA -1.125 61.290 62.300 0.192 0.000 0.855 134 V CB 1.755 33.642 31.823 0.107 0.000 0.995 134 V HN 0.854 nan 8.190 nan 0.000 0.424 135 A N 7.775 130.769 122.820 0.290 0.000 2.350 135 A HA 0.642 4.951 4.320 -0.018 0.000 0.293 135 A C -2.264 175.482 177.584 0.270 0.000 1.231 135 A CA -1.327 50.879 52.037 0.281 0.000 0.883 135 A CB 0.083 19.396 19.000 0.523 0.000 1.133 135 A HN 0.573 nan 8.150 nan 0.000 0.533 136 P HA 0.365 nan 4.420 nan 0.000 0.284 136 P C -0.907 176.553 177.300 0.267 0.000 1.343 136 P CA 0.191 63.420 63.100 0.216 0.000 0.826 136 P CB 0.572 32.425 31.700 0.256 0.000 0.956 137 L N 2.304 123.732 121.223 0.343 0.000 2.330 137 L HA 0.452 4.781 4.340 -0.018 0.000 0.271 137 L C 1.075 178.224 176.870 0.465 0.000 1.013 137 L CA -1.006 54.106 54.840 0.453 0.000 0.816 137 L CB 1.642 44.100 42.059 0.664 0.000 1.287 137 L HN 0.285 nan 8.230 nan 0.000 0.435 138 S N 0.478 116.492 115.700 0.523 0.000 2.566 138 S HA 0.219 4.678 4.470 -0.018 0.000 0.280 138 S C 0.813 175.635 174.600 0.371 0.000 1.343 138 S CA -0.038 58.361 58.200 0.333 0.000 1.036 138 S CB 1.349 64.675 63.200 0.211 0.000 0.866 138 S HN 0.746 nan 8.310 nan 0.000 0.526 139 A N 2.764 125.705 122.820 0.201 0.000 1.997 139 A HA 0.581 4.890 4.320 -0.018 0.000 0.212 139 A C 1.532 179.297 177.584 0.302 0.000 1.178 139 A CA 0.657 52.772 52.037 0.129 0.000 0.698 139 A CB -1.441 17.537 19.000 -0.036 0.000 0.842 139 A HN 2.330 nan 8.150 nan 0.000 0.458 140 G N -1.735 107.207 108.800 0.236 0.000 2.642 140 G HA2 -0.040 3.909 3.960 -0.018 0.000 0.231 140 G HA3 -0.040 3.909 3.960 -0.018 0.000 0.231 140 G C -0.435 174.432 174.900 -0.055 0.000 1.338 140 G CA -0.242 44.952 45.100 0.157 0.000 0.883 140 G HN 1.117 nan 8.290 nan 0.000 0.570 141 V N 0.979 120.623 119.914 -0.451 0.000 2.447 141 V HA 0.733 4.842 4.120 -0.018 0.000 0.292 141 V C -0.250 175.300 176.094 -0.906 0.000 1.021 141 V CA -0.350 61.684 62.300 -0.444 0.000 0.850 141 V CB 1.021 32.648 31.823 -0.327 0.000 1.005 141 V HN 0.708 nan 8.190 nan 0.000 0.426 142 F N 1.712 121.644 119.950 -0.031 0.000 3.208 142 F HA 0.449 4.966 4.527 -0.018 0.000 0.286 142 F C 1.543 177.206 175.800 -0.228 0.000 1.532 142 F CA -0.647 57.276 58.000 -0.129 0.000 1.004 142 F CB 0.399 39.309 39.000 -0.150 0.000 1.777 142 F HN 0.450 nan 8.300 nan 0.000 0.384 143 E N 0.573 120.630 120.200 -0.239 0.000 2.476 143 E HA -0.050 4.290 4.350 -0.018 0.000 0.191 143 E C -0.944 175.519 176.600 -0.228 0.000 1.064 143 E CA 0.300 56.549 56.400 -0.252 0.000 0.866 143 E CB -0.710 28.860 29.700 -0.217 0.000 0.952 143 E HN 0.500 nan 8.360 nan 0.000 0.492 144 Y N 1.286 121.647 120.300 0.101 0.000 2.594 144 Y HA 0.395 4.934 4.550 -0.018 0.000 0.344 144 Y C 1.624 177.550 175.900 0.044 0.000 1.185 144 Y CA -0.238 57.910 58.100 0.079 0.000 1.565 144 Y CB 0.372 38.882 38.460 0.083 0.000 1.415 144 Y HN 0.091 nan 8.280 nan 0.000 0.488 145 A N 2.344 125.252 122.820 0.146 0.000 1.948 145 A HA -0.232 4.077 4.320 -0.018 0.000 0.220 145 A C 2.198 179.830 177.584 0.080 0.000 1.177 145 A CA 1.861 53.947 52.037 0.083 0.000 0.636 145 A CB -0.293 18.742 19.000 0.057 0.000 0.815 145 A HN 0.720 nan 8.150 nan 0.000 0.449 146 E N 0.644 120.905 120.200 0.101 0.000 2.409 146 E HA -0.198 4.141 4.350 -0.018 0.000 0.198 146 E C 1.163 177.799 176.600 0.060 0.000 1.024 146 E CA 1.384 57.826 56.400 0.070 0.000 0.861 146 E CB -0.442 29.299 29.700 0.068 0.000 0.788 146 E HN 0.782 nan 8.360 nan 0.000 0.521 147 E N 0.683 120.932 120.200 0.082 0.000 2.299 147 E HA 0.039 4.378 4.350 -0.018 0.000 0.193 147 E C 0.217 176.833 176.600 0.026 0.000 0.998 147 E CA -0.159 56.274 56.400 0.054 0.000 0.851 147 E CB 0.077 29.824 29.700 0.078 0.000 0.795 147 E HN 0.171 nan 8.360 nan 0.000 0.492 148 R N 0.483 120.998 120.500 0.025 0.000 2.457 148 R HA 0.109 4.438 4.340 -0.018 0.000 0.335 148 R C 0.764 177.060 176.300 -0.007 0.000 1.003 148 R CA 0.720 56.822 56.100 0.003 0.000 1.003 148 R CB 0.112 30.414 30.300 0.002 0.000 0.950 148 R HN 0.291 nan 8.270 nan 0.000 0.428 149 G N 2.550 111.338 108.800 -0.020 0.000 2.238 149 G HA2 -0.251 3.699 3.960 -0.018 0.000 0.217 149 G HA3 -0.251 3.699 3.960 -0.018 0.000 0.217 149 G C 0.172 175.056 174.900 -0.026 0.000 0.996 149 G CA -0.558 44.524 45.100 -0.030 0.000 0.632 149 G HN 0.497 nan 8.290 nan 0.000 0.503 150 R N 0.116 120.607 120.500 -0.015 0.000 2.536 150 R HA 0.686 5.015 4.340 -0.018 0.000 0.279 150 R C 0.062 176.351 176.300 -0.019 0.000 1.001 150 R CA -0.785 55.309 56.100 -0.010 0.000 1.027 150 R CB 0.917 31.216 30.300 -0.002 0.000 1.096 150 R HN 0.100 nan 8.270 nan 0.000 0.502 151 R N 2.212 122.703 120.500 -0.016 0.000 2.287 151 R HA 0.290 4.619 4.340 -0.018 0.000 0.327 151 R C -0.380 175.906 176.300 -0.023 0.000 1.109 151 R CA -0.266 55.815 56.100 -0.031 0.000 1.013 151 R CB 0.382 30.654 30.300 -0.047 0.000 1.126 151 R HN 0.287 nan 8.270 nan 0.000 0.503 152 I N 4.192 124.748 120.570 -0.024 0.000 2.525 152 I HA 0.423 4.582 4.170 -0.018 0.000 0.301 152 I C 0.147 176.254 176.117 -0.017 0.000 0.992 152 I CA -0.817 60.467 61.300 -0.028 0.000 1.162 152 I CB 1.565 39.532 38.000 -0.056 0.000 1.332 152 I HN 0.465 nan 8.210 nan 0.000 0.458 153 L N 5.031 126.249 121.223 -0.009 0.000 2.401 153 L HA 0.531 4.860 4.340 -0.018 0.000 0.266 153 L C -0.169 176.686 176.870 -0.025 0.000 0.991 153 L CA -0.791 54.070 54.840 0.035 0.000 0.818 153 L CB 2.594 44.715 42.059 0.103 0.000 1.321 153 L HN 0.537 nan 8.230 nan 0.000 0.413 154 R N 0.712 121.174 120.500 -0.065 0.000 2.598 154 R HA 0.729 5.058 4.340 -0.018 0.000 0.279 154 R C -0.242 176.089 176.300 0.052 0.000 0.984 154 R CA -0.780 55.221 56.100 -0.164 0.000 0.999 154 R CB 1.891 31.702 30.300 -0.814 0.000 1.114 154 R HN 0.738 nan 8.270 nan 0.000 0.493 155 G N 1.702 110.558 108.800 0.093 0.000 2.566 155 G HA2 0.599 4.549 3.960 -0.018 0.000 0.311 155 G HA3 0.599 4.549 3.960 -0.018 0.000 0.311 155 G C -1.079 174.023 174.900 0.337 0.000 1.322 155 G CA -0.598 44.609 45.100 0.180 0.000 0.969 155 G HN 0.272 nan 8.290 nan 0.000 0.490 156 L N 1.486 122.978 121.223 0.448 0.000 2.362 156 L HA 0.704 5.033 4.340 -0.018 0.000 0.275 156 L C 0.466 177.537 176.870 0.334 0.000 0.998 156 L CA -1.016 54.087 54.840 0.439 0.000 0.820 156 L CB 2.228 44.644 42.059 0.595 0.000 1.270 156 L HN 0.652 nan 8.230 nan 0.000 0.415 157 A N 3.053 125.948 122.820 0.126 0.000 2.304 157 A HA 0.837 5.146 4.320 -0.018 0.000 0.301 157 A C -1.162 176.134 177.584 -0.481 0.000 1.132 157 A CA -0.110 51.949 52.037 0.035 0.000 0.819 157 A CB 0.400 19.473 19.000 0.122 0.000 1.094 157 A HN 0.511 nan 8.150 nan 0.000 0.492 158 F N 0.876 120.797 119.950 -0.048 0.000 2.574 158 F HA 0.411 4.928 4.527 -0.018 0.000 0.313 158 F C -0.103 175.634 175.800 -0.104 0.000 1.130 158 F CA -0.673 57.246 58.000 -0.134 0.000 0.936 158 F CB 2.250 41.036 39.000 -0.357 0.000 1.219 158 F HN 0.319 nan 8.300 nan 0.000 0.445 159 V N 2.866 122.829 119.914 0.082 0.000 2.530 159 V HA 0.251 4.360 4.120 -0.018 0.000 0.282 159 V C -0.261 175.853 176.094 0.034 0.000 1.048 159 V CA -0.408 61.904 62.300 0.020 0.000 0.997 159 V CB 1.369 33.155 31.823 -0.061 0.000 0.987 159 V HN 0.755 nan 8.190 nan 0.000 0.477 160 Q N 2.692 122.463 119.800 -0.047 0.000 2.413 160 Q HA 0.231 4.560 4.340 -0.018 0.000 0.258 160 Q C 0.032 175.943 176.000 -0.147 0.000 1.037 160 Q CA -0.629 55.108 55.803 -0.109 0.000 0.764 160 Q CB 1.117 29.778 28.738 -0.128 0.000 1.217 160 Q HN 0.773 nan 8.270 nan 0.000 0.490 161 D N 3.124 123.391 120.400 -0.222 0.000 2.218 161 D HA -0.050 4.579 4.640 -0.018 0.000 0.204 161 D C 0.039 176.383 176.300 0.074 0.000 0.976 161 D CA 1.320 55.253 54.000 -0.112 0.000 0.853 161 D CB 0.064 40.831 40.800 -0.054 0.000 0.939 161 D HN 0.436 nan 8.370 nan 0.000 0.481 162 F N -5.059 114.880 119.950 -0.018 0.000 2.741 162 F HA 0.371 4.887 4.527 -0.018 0.000 0.311 162 F C -2.442 173.347 175.800 -0.020 0.000 1.149 162 F CA -2.132 55.854 58.000 -0.023 0.000 0.930 162 F CB 0.570 39.551 39.000 -0.032 0.000 1.312 162 F HN -0.418 nan 8.300 nan 0.000 0.450 163 P HA -0.187 nan 4.420 nan 0.000 0.217 163 P C 0.260 177.585 177.300 0.041 0.000 1.158 163 P CA 2.283 65.432 63.100 0.082 0.000 0.887 163 P CB 0.109 31.869 31.700 0.100 0.000 0.792 164 E N -1.425 118.865 120.200 0.150 0.000 2.437 164 E HA 0.095 4.435 4.350 -0.018 0.000 0.189 164 E C 0.002 176.543 176.600 -0.098 0.000 1.054 164 E CA -0.040 56.408 56.400 0.080 0.000 0.874 164 E CB -0.667 29.134 29.700 0.169 0.000 1.011 164 E HN 0.322 nan 8.360 nan 0.000 0.474 165 D N 0.051 120.156 120.400 -0.493 0.000 2.313 165 D HA 0.106 4.735 4.640 -0.018 0.000 0.247 165 D C -0.573 175.521 176.300 -0.343 0.000 1.094 165 D CA -0.228 53.310 54.000 -0.770 0.000 0.925 165 D CB 0.995 40.973 40.800 -1.370 0.000 1.188 165 D HN -0.101 nan 8.370 nan 0.000 0.430 166 S N 1.965 117.527 115.700 -0.230 0.000 2.399 166 S HA 0.455 4.914 4.470 -0.018 0.000 0.301 166 S C 0.952 175.485 174.600 -0.112 0.000 1.093 166 S CA -0.266 57.871 58.200 -0.106 0.000 1.077 166 S CB 0.437 63.618 63.200 -0.033 0.000 0.980 166 S HN 0.509 nan 8.310 nan 0.000 0.494 167 A N 4.911 127.575 122.820 -0.259 0.000 2.019 167 A HA -0.017 4.293 4.320 -0.018 0.000 0.219 167 A C 1.414 178.893 177.584 -0.175 0.000 1.164 167 A CA 0.881 52.782 52.037 -0.226 0.000 0.644 167 A CB -0.734 18.034 19.000 -0.387 0.000 0.805 167 A HN 0.992 nan 8.150 nan 0.000 0.449 168 W N -0.117 121.164 121.300 -0.032 0.000 2.387 168 W HA -0.026 4.624 4.660 -0.018 0.000 0.272 168 W C 2.397 179.024 176.519 0.181 0.000 1.224 168 W CA 0.809 58.126 57.345 -0.047 0.000 1.210 168 W CB -0.178 29.236 29.460 -0.077 0.000 1.125 168 W HN 0.368 nan 8.180 nan 0.000 0.572 169 A N -0.613 122.383 122.820 0.292 0.000 2.119 169 A HA -0.070 4.240 4.320 -0.018 0.000 0.217 169 A C 0.661 178.103 177.584 -0.236 0.000 1.153 169 A CA 0.830 52.918 52.037 0.085 0.000 0.692 169 A CB -0.621 18.356 19.000 -0.039 0.000 0.799 169 A HN 0.353 nan 8.150 nan 0.000 0.458 170 H N -0.149 119.032 119.070 0.185 0.000 2.355 170 H HA 0.243 4.788 4.556 -0.018 0.000 0.232 170 H C -2.879 172.463 175.328 0.023 0.000 1.422 170 H CA -2.260 53.837 56.048 0.081 0.000 1.261 170 H CB -0.376 29.410 29.762 0.040 0.000 1.595 170 H HN 0.365 nan 8.280 nan 0.000 0.529 171 P HA -0.005 nan 4.420 nan 0.000 0.269 171 P C 0.337 177.461 177.300 -0.292 0.000 1.209 171 P CA -0.211 62.686 63.100 -0.338 0.000 0.776 171 P CB 1.917 33.492 31.700 -0.208 0.000 0.876 172 V N 3.483 123.143 119.914 -0.423 0.000 2.240 172 V HA 0.142 4.252 4.120 -0.018 0.000 0.265 172 V C 0.713 176.664 176.094 -0.237 0.000 1.073 172 V CA -0.316 61.831 62.300 -0.254 0.000 0.857 172 V CB 0.207 31.884 31.823 -0.244 0.000 1.114 172 V HN 0.543 nan 8.190 nan 0.000 0.469 173 D N 2.822 123.087 120.400 -0.224 0.000 2.371 173 D HA 0.368 4.998 4.640 -0.018 0.000 0.242 173 D C 1.334 177.582 176.300 -0.086 0.000 1.218 173 D CA 1.497 55.307 54.000 -0.316 0.000 0.945 173 D CB 1.725 42.050 40.800 -0.793 0.000 1.137 173 D HN 0.719 nan 8.370 nan 0.000 0.464 174 G N 0.055 108.820 108.800 -0.058 0.000 2.179 174 G HA2 -0.227 3.723 3.960 -0.018 0.000 0.260 174 G HA3 -0.227 3.723 3.960 -0.018 0.000 0.260 174 G C -0.074 174.880 174.900 0.090 0.000 0.977 174 G CA 0.609 45.829 45.100 0.200 0.000 0.641 174 G HN 0.487 nan 8.290 nan 0.000 0.533 175 L N -0.128 121.116 121.223 0.035 0.000 2.431 175 L HA 0.928 5.257 4.340 -0.018 0.000 0.266 175 L C -0.772 176.186 176.870 0.147 0.000 0.978 175 L CA -1.012 53.849 54.840 0.035 0.000 0.822 175 L CB 2.436 44.429 42.059 -0.109 0.000 1.310 175 L HN 0.667 nan 8.230 nan 0.000 0.409 176 V N 3.743 123.781 119.914 0.207 0.000 2.969 176 V HA 0.959 5.068 4.120 -0.018 0.000 0.304 176 V C -1.351 174.826 176.094 0.139 0.000 1.192 176 V CA 0.319 62.784 62.300 0.275 0.000 0.962 176 V CB 2.052 34.074 31.823 0.331 0.000 1.045 176 V HN 1.207 nan 8.190 nan 0.000 0.428 177 A N 5.076 127.962 122.820 0.111 0.000 2.413 177 A HA 0.980 5.289 4.320 -0.018 0.000 0.307 177 A C -1.987 175.582 177.584 -0.024 0.000 1.087 177 A CA -0.474 51.494 52.037 -0.114 0.000 0.750 177 A CB 1.682 20.547 19.000 -0.225 0.000 1.296 177 A HN 0.859 nan 8.150 nan 0.000 0.423 178 Y N 0.202 120.375 120.300 -0.211 0.000 2.364 178 Y HA 0.605 5.144 4.550 -0.018 0.000 0.340 178 Y C -0.237 175.555 175.900 -0.180 0.000 0.975 178 Y CA -1.735 56.220 58.100 -0.242 0.000 1.089 178 Y CB 1.766 40.040 38.460 -0.311 0.000 1.192 178 Y HN 0.341 nan 8.280 nan 0.000 0.454 179 V N 3.169 123.089 119.914 0.011 0.000 2.577 179 V HA 0.204 4.314 4.120 -0.018 0.000 0.303 179 V C -0.554 175.531 176.094 -0.015 0.000 1.042 179 V CA -1.095 61.189 62.300 -0.027 0.000 0.872 179 V CB 2.030 33.818 31.823 -0.057 0.000 0.998 179 V HN 0.688 nan 8.190 nan 0.000 0.423 180 D N 3.738 124.131 120.400 -0.012 0.000 2.338 180 D HA 0.097 4.727 4.640 -0.018 0.000 0.255 180 D C 1.053 177.351 176.300 -0.003 0.000 1.237 180 D CA -0.118 53.878 54.000 -0.006 0.000 0.883 180 D CB 1.932 42.731 40.800 -0.002 0.000 1.087 180 D HN 0.460 nan 8.370 nan 0.000 0.485 181 V N 2.266 122.180 119.914 0.000 0.000 3.380 181 V HA -0.044 4.065 4.120 -0.018 0.000 0.268 181 V C 1.623 177.733 176.094 0.026 0.000 1.168 181 V CA 0.347 62.651 62.300 0.007 0.000 1.156 181 V CB -0.192 31.631 31.823 0.001 0.000 0.785 181 V HN 0.386 nan 8.190 nan 0.000 0.487 182 V N 1.415 121.350 119.914 0.035 0.000 2.436 182 V HA -0.048 4.061 4.120 -0.018 0.000 0.240 182 V C 2.770 178.885 176.094 0.036 0.000 1.040 182 V CA 1.814 64.151 62.300 0.061 0.000 1.052 182 V CB -0.013 31.861 31.823 0.085 0.000 0.707 182 V HN 0.704 nan 8.190 nan 0.000 0.469 183 S N -0.716 114.997 115.700 0.021 0.000 2.561 183 S HA -0.042 4.417 4.470 -0.018 0.000 0.225 183 S C 0.878 175.483 174.600 0.008 0.000 0.977 183 S CA 0.306 58.513 58.200 0.012 0.000 0.926 183 S CB -0.464 62.740 63.200 0.007 0.000 0.769 183 S HN 0.575 nan 8.310 nan 0.000 0.533 184 K N 1.084 121.488 120.400 0.008 0.000 3.244 184 K HA -0.143 4.167 4.320 -0.018 0.000 0.270 184 K C -1.042 175.553 176.600 -0.009 0.000 1.016 184 K CA 0.850 57.138 56.287 0.001 0.000 0.754 184 K CB -1.662 30.841 32.500 0.006 0.000 1.326 184 K HN 0.708 nan 8.250 nan 0.000 0.465 185 E N -0.049 120.143 120.200 -0.013 0.000 2.238 185 E HA 0.354 4.694 4.350 -0.018 0.000 0.267 185 E C -0.507 176.073 176.600 -0.032 0.000 0.887 185 E CA -1.075 55.313 56.400 -0.019 0.000 0.769 185 E CB 2.382 32.075 29.700 -0.012 0.000 1.187 185 E HN -0.062 nan 8.360 nan 0.000 0.416 186 V N 2.961 122.848 119.914 -0.044 0.000 2.389 186 V HA -0.003 4.106 4.120 -0.018 0.000 0.264 186 V C 1.391 177.454 176.094 -0.051 0.000 1.049 186 V CA 0.305 62.566 62.300 -0.066 0.000 0.932 186 V CB 0.579 32.351 31.823 -0.086 0.000 1.011 186 V HN 0.946 nan 8.190 nan 0.000 0.475 187 T N 2.673 117.201 114.554 -0.044 0.000 2.942 187 T HA 0.086 4.425 4.350 -0.018 0.000 0.265 187 T C 0.823 175.474 174.700 -0.082 0.000 1.062 187 T CA 0.477 62.555 62.100 -0.037 0.000 1.139 187 T CB 0.347 69.212 68.868 -0.005 0.000 0.883 187 T HN 0.492 nan 8.240 nan 0.000 0.468 188 R N -0.635 119.772 120.500 -0.156 0.000 2.634 188 R HA 0.581 4.910 4.340 -0.018 0.000 0.263 188 R C -2.490 173.614 176.300 -0.327 0.000 1.060 188 R CA -0.594 55.342 56.100 -0.273 0.000 0.898 188 R CB 2.400 32.422 30.300 -0.463 0.000 1.253 188 R HN 0.101 nan 8.270 nan 0.000 0.461 189 V N 5.303 125.087 119.914 -0.217 0.000 2.525 189 V HA 0.503 4.612 4.120 -0.018 0.000 0.299 189 V C -0.467 175.558 176.094 -0.116 0.000 1.034 189 V CA -0.585 61.654 62.300 -0.102 0.000 0.863 189 V CB 1.840 33.704 31.823 0.069 0.000 0.999 189 V HN 0.574 nan 8.190 nan 0.000 0.423 190 I N 4.078 124.573 120.570 -0.124 0.000 2.378 190 I HA 0.503 4.663 4.170 -0.018 0.000 0.291 190 I C -0.912 175.205 176.117 -0.001 0.000 0.992 190 I CA -0.265 60.991 61.300 -0.074 0.000 1.154 190 I CB 1.895 39.834 38.000 -0.101 0.000 1.315 190 I HN 0.500 nan 8.210 nan 0.000 0.448 191 D N 4.482 124.883 120.400 0.002 0.000 2.505 191 D HA 0.187 4.816 4.640 -0.018 0.000 0.250 191 D C 0.758 177.073 176.300 0.025 0.000 1.164 191 D CA -0.336 53.669 54.000 0.008 0.000 0.870 191 D CB 1.726 42.512 40.800 -0.022 0.000 1.160 191 D HN 0.648 nan 8.370 nan 0.000 0.549 192 T N 0.348 114.939 114.554 0.061 0.000 3.081 192 T HA 0.472 4.812 4.350 -0.018 0.000 0.250 192 T C 0.973 175.699 174.700 0.044 0.000 1.100 192 T CA 0.317 62.459 62.100 0.070 0.000 1.038 192 T CB 0.357 69.297 68.868 0.121 0.000 0.962 192 T HN 0.583 nan 8.240 nan 0.000 0.516 193 G N 0.158 108.980 108.800 0.036 0.000 2.333 193 G HA2 0.308 4.257 3.960 -0.018 0.000 0.330 193 G HA3 0.308 4.257 3.960 -0.018 0.000 0.330 193 G C -1.382 173.509 174.900 -0.015 0.000 1.465 193 G CA -0.469 44.606 45.100 -0.042 0.000 0.996 193 G HN 0.428 nan 8.290 nan 0.000 0.655 194 V N 0.295 120.157 119.914 -0.086 0.000 2.649 194 V HA 0.822 4.931 4.120 -0.018 0.000 0.292 194 V C -0.569 175.462 176.094 -0.105 0.000 1.055 194 V CA -0.310 61.968 62.300 -0.038 0.000 1.023 194 V CB 0.831 32.617 31.823 -0.062 0.000 0.992 194 V HN 0.686 nan 8.190 nan 0.000 0.480 195 F N 4.839 124.751 119.950 -0.062 0.000 2.565 195 F HA 0.599 5.115 4.527 -0.018 0.000 0.313 195 F C -2.012 173.760 175.800 -0.048 0.000 1.091 195 F CA -1.992 55.977 58.000 -0.052 0.000 0.915 195 F CB 1.916 40.883 39.000 -0.054 0.000 1.208 195 F HN 0.399 nan 8.300 nan 0.000 0.453 196 P HA 0.098 nan 4.420 nan 0.000 0.266 196 P C -0.933 176.419 177.300 0.087 0.000 1.195 196 P CA -0.098 63.053 63.100 0.085 0.000 0.768 196 P CB 0.534 32.280 31.700 0.075 0.000 0.838 197 V N 6.492 126.435 119.914 0.048 0.000 2.364 197 V HA 0.195 4.304 4.120 -0.018 0.000 0.272 197 V C -1.890 174.249 176.094 0.076 0.000 1.036 197 V CA -1.642 60.681 62.300 0.038 0.000 0.880 197 V CB 0.737 32.562 31.823 0.003 0.000 0.991 197 V HN 0.576 nan 8.190 nan 0.000 0.460 198 P HA 0.013 nan 4.420 nan 0.000 0.260 198 P C 0.437 177.886 177.300 0.248 0.000 1.172 198 P CA 0.396 63.566 63.100 0.116 0.000 0.760 198 P CB 0.801 32.529 31.700 0.046 0.000 0.773 199 A N 3.389 126.325 122.820 0.193 0.000 1.997 199 A HA -0.020 4.289 4.320 -0.018 0.000 0.212 199 A C 0.995 178.771 177.584 0.320 0.000 1.178 199 A CA 0.412 52.582 52.037 0.222 0.000 0.698 199 A CB -0.488 18.585 19.000 0.122 0.000 0.842 199 A HN 0.572 nan 8.150 nan 0.000 0.458 200 E N 0.707 121.045 120.200 0.230 0.000 2.414 200 E HA 0.175 4.514 4.350 -0.018 0.000 0.263 200 E C -0.114 176.645 176.600 0.266 0.000 1.000 200 E CA -0.177 56.346 56.400 0.205 0.000 0.914 200 E CB 0.288 30.060 29.700 0.120 0.000 0.948 200 E HN 0.741 nan 8.360 nan 0.000 0.444 201 H N 1.043 120.261 119.070 0.247 0.000 2.534 201 H HA 0.482 5.027 4.556 -0.018 0.000 0.364 201 H C 0.410 175.839 175.328 0.169 0.000 1.328 201 H CA -0.416 55.741 56.048 0.181 0.000 1.415 201 H CB 1.114 31.008 29.762 0.221 0.000 1.573 201 H HN 0.432 nan 8.280 nan 0.000 0.601 202 G N 0.367 109.308 108.800 0.234 0.000 4.885 202 G HA2 0.096 4.045 3.960 -0.018 0.000 0.263 202 G HA3 0.096 4.045 3.960 -0.018 0.000 0.263 202 G C -0.940 173.940 174.900 -0.034 0.000 1.168 202 G CA -0.693 44.404 45.100 -0.006 0.000 0.906 202 G HN 0.715 nan 8.290 nan 0.000 0.575 203 N N 1.307 120.182 118.700 0.292 0.000 2.663 203 N HA 0.213 4.942 4.740 -0.018 0.000 0.250 203 N C 0.924 176.396 175.510 -0.064 0.000 1.129 203 N CA -0.717 52.320 53.050 -0.020 0.000 0.995 203 N CB 0.340 38.844 38.487 0.028 0.000 1.324 203 N HN 0.542 nan 8.380 nan 0.000 0.512 204 Y N -0.251 120.044 120.300 -0.008 0.000 2.651 204 Y HA -0.074 4.465 4.550 -0.018 0.000 0.296 204 Y C 1.595 177.491 175.900 -0.007 0.000 1.150 204 Y CA 0.303 58.377 58.100 -0.045 0.000 1.348 204 Y CB -0.864 37.528 38.460 -0.113 0.000 0.983 204 Y HN 0.290 nan 8.280 nan 0.000 0.555 205 T N -3.921 110.628 114.554 -0.008 0.000 3.054 205 T HA 0.077 4.417 4.350 -0.018 0.000 0.255 205 T C -0.047 174.670 174.700 0.028 0.000 1.035 205 T CA -0.186 61.937 62.100 0.039 0.000 0.941 205 T CB -0.134 68.743 68.868 0.015 0.000 1.026 205 T HN 0.191 nan 8.240 nan 0.000 0.533 206 D N 3.286 123.713 120.400 0.046 0.000 2.339 206 D HA 0.232 4.861 4.640 -0.018 0.000 0.241 206 D C -1.211 175.135 176.300 0.076 0.000 1.183 206 D CA -2.618 51.420 54.000 0.062 0.000 0.859 206 D CB 1.785 42.654 40.800 0.116 0.000 1.067 206 D HN -0.006 nan 8.370 nan 0.000 0.484 207 P HA -0.210 nan 4.420 nan 0.000 0.218 207 P C 1.092 178.424 177.300 0.054 0.000 1.146 207 P CA 0.904 64.029 63.100 0.042 0.000 0.813 207 P CB 0.364 32.079 31.700 0.025 0.000 0.778 208 E N -0.589 119.655 120.200 0.073 0.000 2.110 208 E HA -0.176 4.164 4.350 -0.018 0.000 0.193 208 E C 1.860 178.517 176.600 0.094 0.000 0.988 208 E CA 0.721 57.175 56.400 0.088 0.000 0.804 208 E CB -0.272 29.503 29.700 0.125 0.000 0.745 208 E HN 0.099 nan 8.360 nan 0.000 0.458 209 L N 0.446 121.740 121.223 0.118 0.000 2.145 209 L HA -0.036 4.293 4.340 -0.018 0.000 0.201 209 L C 2.599 179.498 176.870 0.048 0.000 1.075 209 L CA 2.124 57.007 54.840 0.072 0.000 0.773 209 L CB -0.606 41.505 42.059 0.087 0.000 0.936 209 L HN 0.245 nan 8.230 nan 0.000 0.451 210 T N -2.363 112.225 114.554 0.057 0.000 2.821 210 T HA 0.313 4.652 4.350 -0.018 0.000 0.267 210 T C 1.171 175.889 174.700 0.030 0.000 1.046 210 T CA 0.615 62.739 62.100 0.041 0.000 1.139 210 T CB -0.941 67.956 68.868 0.047 0.000 0.871 210 T HN 0.810 nan 8.240 nan 0.000 0.454 211 G N 2.108 110.928 108.800 0.033 0.000 2.796 211 G HA2 -0.000 3.949 3.960 -0.018 0.000 0.571 211 G HA3 -0.000 3.949 3.960 -0.018 0.000 0.571 211 G C -2.857 172.056 174.900 0.021 0.000 1.370 211 G CA -0.622 44.493 45.100 0.025 0.000 0.856 211 G HN 0.554 nan 8.290 nan 0.000 0.538 212 P HA 0.309 nan 4.420 nan 0.000 0.268 212 P C 0.551 177.858 177.300 0.012 0.000 1.204 212 P CA -0.009 63.099 63.100 0.014 0.000 0.768 212 P CB 0.462 32.169 31.700 0.011 0.000 0.842 213 L N 3.444 124.675 121.223 0.012 0.000 2.439 213 L HA 0.205 4.534 4.340 -0.018 0.000 0.269 213 L C 1.408 178.281 176.870 0.006 0.000 1.179 213 L CA -0.431 54.414 54.840 0.010 0.000 0.828 213 L CB -0.000 42.065 42.059 0.011 0.000 1.106 213 L HN 0.336 nan 8.230 nan 0.000 0.467 214 R N 0.456 120.958 120.500 0.004 0.000 2.522 214 R HA 0.034 4.363 4.340 -0.018 0.000 0.284 214 R C 0.938 177.239 176.300 0.002 0.000 1.032 214 R CA 0.311 56.412 56.100 0.002 0.000 1.049 214 R CB 0.298 30.598 30.300 -0.001 0.000 0.956 214 R HN 0.709 nan 8.270 nan 0.000 0.422 215 T N -3.194 111.361 114.554 0.002 0.000 3.054 215 T HA -0.033 4.307 4.350 -0.018 0.000 0.255 215 T C 1.458 176.158 174.700 0.001 0.000 1.035 215 T CA 0.265 62.366 62.100 0.002 0.000 0.941 215 T CB 0.237 69.106 68.868 0.002 0.000 1.026 215 T HN 0.666 nan 8.240 nan 0.000 0.533 216 T N -0.230 114.324 114.554 -0.000 0.000 3.023 216 T HA 0.077 4.416 4.350 -0.018 0.000 0.266 216 T C 0.841 175.539 174.700 -0.002 0.000 1.093 216 T CA 0.083 62.182 62.100 -0.002 0.000 1.129 216 T CB -0.441 68.425 68.868 -0.003 0.000 0.899 216 T HN 0.433 nan 8.240 nan 0.000 0.491 217 Q N 2.019 121.818 119.800 -0.002 0.000 2.296 217 Q HA 0.274 4.603 4.340 -0.018 0.000 0.263 217 Q C -0.334 175.666 176.000 -0.000 0.000 1.026 217 Q CA 0.067 55.869 55.803 -0.002 0.000 0.912 217 Q CB 0.788 29.524 28.738 -0.003 0.000 1.198 217 Q HN 0.449 nan 8.270 nan 0.000 0.407 218 K N 3.349 123.748 120.400 -0.000 0.000 2.087 218 K HA 0.422 4.731 4.320 -0.018 0.000 0.255 218 K C -2.006 174.595 176.600 0.003 0.000 0.988 218 K CA -1.734 54.554 56.287 0.001 0.000 0.915 218 K CB 0.384 32.884 32.500 0.000 0.000 1.043 218 K HN 0.462 nan 8.250 nan 0.000 0.457 219 P HA 0.141 nan 4.420 nan 0.000 0.269 219 P C -0.640 176.665 177.300 0.008 0.000 1.209 219 P CA 0.172 63.276 63.100 0.007 0.000 0.776 219 P CB 0.550 32.255 31.700 0.008 0.000 0.876 220 I N 1.313 121.890 120.570 0.011 0.000 2.420 220 I HA 0.108 4.267 4.170 -0.018 0.000 0.282 220 I C 0.340 176.469 176.117 0.020 0.000 1.019 220 I CA -0.519 60.789 61.300 0.014 0.000 1.130 220 I CB 1.577 39.586 38.000 0.014 0.000 1.262 220 I HN 0.289 nan 8.210 nan 0.000 0.454 221 S N 7.862 123.574 115.700 0.021 0.000 2.410 221 S HA 0.557 5.016 4.470 -0.018 0.000 0.304 221 S C -0.427 174.193 174.600 0.032 0.000 1.095 221 S CA -0.455 57.760 58.200 0.025 0.000 1.089 221 S CB 0.194 63.407 63.200 0.021 0.000 0.968 221 S HN 0.454 nan 8.310 nan 0.000 0.480 222 I N 5.816 126.410 120.570 0.040 0.000 2.328 222 I HA 0.312 4.472 4.170 -0.018 0.000 0.287 222 I C 0.356 176.505 176.117 0.054 0.000 1.012 222 I CA -0.352 60.979 61.300 0.053 0.000 1.195 222 I CB 1.408 39.449 38.000 0.069 0.000 1.350 222 I HN 0.646 nan 8.210 nan 0.000 0.464 223 T N 2.154 116.740 114.554 0.052 0.000 2.916 223 T HA 0.504 4.843 4.350 -0.018 0.000 0.292 223 T C -0.534 174.198 174.700 0.054 0.000 1.064 223 T CA -0.929 61.200 62.100 0.048 0.000 1.011 223 T CB 2.279 71.169 68.868 0.036 0.000 1.152 223 T HN 0.454 nan 8.240 nan 0.000 0.510 224 Q N 0.874 120.703 119.800 0.049 0.000 2.771 224 Q HA 0.245 4.574 4.340 -0.018 0.000 0.247 224 Q C -2.196 173.822 176.000 0.029 0.000 0.986 224 Q CA -1.821 54.010 55.803 0.047 0.000 0.713 224 Q CB 1.773 30.544 28.738 0.056 0.000 1.241 224 Q HN 0.496 nan 8.270 nan 0.000 0.488 225 P HA -0.224 nan 4.420 nan 0.000 0.218 225 P C 0.183 177.491 177.300 0.012 0.000 1.152 225 P CA 1.566 64.677 63.100 0.019 0.000 0.857 225 P CB 0.362 32.074 31.700 0.019 0.000 0.787 226 E N -1.471 118.736 120.200 0.011 0.000 2.548 226 E HA 0.383 4.723 4.350 -0.018 0.000 0.206 226 E C 0.728 177.323 176.600 -0.010 0.000 1.005 226 E CA 0.016 56.418 56.400 0.003 0.000 0.951 226 E CB 0.280 29.983 29.700 0.005 0.000 1.035 226 E HN 0.143 nan 8.360 nan 0.000 0.470 227 G N 2.744 111.537 108.800 -0.011 0.000 2.756 227 G HA2 -0.176 3.773 3.960 -0.018 0.000 0.678 227 G HA3 -0.176 3.773 3.960 -0.018 0.000 0.678 227 G C -2.775 172.093 174.900 -0.055 0.000 1.349 227 G CA -0.927 44.148 45.100 -0.043 0.000 0.847 227 G HN -0.021 nan 8.290 nan 0.000 0.548 228 P HA 0.362 nan 4.420 nan 0.000 0.274 228 P C 0.593 177.820 177.300 -0.122 0.000 1.256 228 P CA 0.106 63.111 63.100 -0.159 0.000 0.795 228 P CB 1.102 32.467 31.700 -0.558 0.000 1.038 229 S N -0.732 115.032 115.700 0.108 0.000 2.548 229 S HA 0.136 4.596 4.470 -0.018 0.000 0.215 229 S C 0.686 175.462 174.600 0.293 0.000 0.976 229 S CA -0.026 58.282 58.200 0.180 0.000 0.908 229 S CB -0.752 62.589 63.200 0.235 0.000 0.781 229 S HN 0.546 nan 8.310 nan 0.000 0.519 230 F N 2.232 122.376 119.950 0.324 0.000 2.403 230 F HA 0.736 5.253 4.527 -0.018 0.000 0.326 230 F C 0.172 176.063 175.800 0.152 0.000 1.081 230 F CA -1.036 57.136 58.000 0.287 0.000 1.041 230 F CB 0.372 39.503 39.000 0.219 0.000 1.234 230 F HN -0.130 nan 8.300 nan 0.000 0.503 231 T N -0.114 114.627 114.554 0.312 0.000 2.841 231 T HA 0.706 5.045 4.350 -0.018 0.000 0.283 231 T C -1.092 173.764 174.700 0.260 0.000 1.000 231 T CA -0.812 61.396 62.100 0.180 0.000 0.977 231 T CB 1.408 70.358 68.868 0.137 0.000 0.979 231 T HN 0.662 nan 8.240 nan 0.000 0.446 232 V N 3.783 123.823 119.914 0.211 0.000 2.378 232 V HA 0.666 4.775 4.120 -0.018 0.000 0.288 232 V C 0.429 176.621 176.094 0.162 0.000 1.016 232 V CA -0.650 61.773 62.300 0.206 0.000 0.840 232 V CB 1.042 32.990 31.823 0.209 0.000 0.994 232 V HN 1.253 nan 8.190 nan 0.000 0.431 233 T N 0.224 114.892 114.554 0.190 0.000 2.907 233 T HA 0.680 5.019 4.350 -0.018 0.000 0.292 233 T C 0.797 175.589 174.700 0.154 0.000 1.043 233 T CA -0.085 62.106 62.100 0.153 0.000 1.003 233 T CB 1.766 70.719 68.868 0.142 0.000 1.084 233 T HN 1.652 nan 8.240 nan 0.000 0.483 234 G N 0.062 108.923 108.800 0.101 0.000 2.225 234 G HA2 0.113 4.063 3.960 -0.018 0.000 0.267 234 G HA3 0.113 4.063 3.960 -0.018 0.000 0.267 234 G C 1.302 176.262 174.900 0.099 0.000 1.024 234 G CA 0.890 46.043 45.100 0.088 0.000 0.784 234 G HN 2.380 nan 8.290 nan 0.000 0.507 235 G N -0.087 108.772 108.800 0.098 0.000 2.507 235 G HA2 -0.300 3.650 3.960 -0.018 0.000 0.240 235 G HA3 -0.300 3.650 3.960 -0.018 0.000 0.240 235 G C 0.920 175.881 174.900 0.102 0.000 1.119 235 G CA 1.331 46.486 45.100 0.092 0.000 0.664 235 G HN 2.224 nan 8.290 nan 0.000 0.516 236 N N -0.457 118.315 118.700 0.121 0.000 2.217 236 N HA 0.108 4.837 4.740 -0.018 0.000 0.239 236 N C -0.329 175.251 175.510 0.116 0.000 1.330 236 N CA 0.084 53.198 53.050 0.106 0.000 0.838 236 N CB -0.319 38.229 38.487 0.101 0.000 1.287 236 N HN 0.583 nan 8.380 nan 0.000 0.498 237 H N 0.988 120.101 119.070 0.071 0.000 2.552 237 H HA 0.439 4.984 4.556 -0.018 0.000 0.311 237 H C -0.981 174.399 175.328 0.087 0.000 1.071 237 H CA -0.343 55.745 56.048 0.066 0.000 1.307 237 H CB 1.065 30.866 29.762 0.065 0.000 1.416 237 H HN -0.023 nan 8.280 nan 0.000 0.464 238 I N 4.847 125.194 120.570 -0.372 0.000 2.441 238 I HA 0.153 4.312 4.170 -0.018 0.000 0.295 238 I C -0.130 175.889 176.117 -0.164 0.000 0.994 238 I CA -0.303 60.913 61.300 -0.141 0.000 1.144 238 I CB 1.705 39.633 38.000 -0.121 0.000 1.314 238 I HN 0.517 nan 8.210 nan 0.000 0.445 239 E N 5.353 125.614 120.200 0.101 0.000 2.216 239 E HA 0.310 4.650 4.350 -0.018 0.000 0.260 239 E C -1.804 174.997 176.600 0.336 0.000 0.880 239 E CA -0.598 55.909 56.400 0.178 0.000 0.765 239 E CB 2.380 32.192 29.700 0.186 0.000 1.174 239 E HN 0.585 nan 8.360 nan 0.000 0.417 240 W N 3.796 125.171 121.300 0.125 0.000 3.132 240 W HA 0.150 4.799 4.660 -0.017 0.000 0.337 240 W C -0.443 176.178 176.519 0.169 0.000 1.082 240 W CA -0.432 57.012 57.345 0.165 0.000 1.242 240 W CB 0.986 30.546 29.460 0.166 0.000 1.354 240 W HN 0.332 nan 8.180 nan 0.000 0.461 241 E N 5.807 125.723 120.200 -0.474 0.000 2.165 241 E HA -0.326 4.013 4.350 -0.018 0.000 0.203 241 E C 0.512 176.829 176.600 -0.471 0.000 1.335 241 E CA 1.887 57.895 56.400 -0.653 0.000 0.708 241 E CB -1.052 27.826 29.700 -1.370 0.000 1.105 241 E HN 0.898 nan 8.360 nan 0.000 0.346 242 K N -3.808 116.350 120.400 -0.402 0.000 3.609 242 K HA -0.243 4.067 4.320 -0.018 0.000 0.277 242 K C 0.157 176.338 176.600 -0.697 0.000 1.196 242 K CA 1.704 57.579 56.287 -0.686 0.000 1.022 242 K CB -1.378 30.376 32.500 -1.245 0.000 1.292 242 K HN 0.271 nan 8.250 nan 0.000 0.484 243 W N 1.562 122.697 121.300 -0.276 0.000 2.237 243 W HA 0.430 5.080 4.660 -0.017 0.000 0.335 243 W C 0.639 177.154 176.519 -0.007 0.000 1.230 243 W CA -0.111 57.213 57.345 -0.036 0.000 1.253 243 W CB 1.486 31.080 29.460 0.223 0.000 1.129 243 W HN -0.022 nan 8.180 nan 0.000 0.590 244 S N 3.994 119.875 115.700 0.302 0.000 2.575 244 S HA 0.807 5.266 4.470 -0.018 0.000 0.278 244 S C -1.127 173.500 174.600 0.044 0.000 1.139 244 S CA -0.747 57.522 58.200 0.115 0.000 0.954 244 S CB 0.159 63.444 63.200 0.141 0.000 1.054 244 S HN 0.549 nan 8.310 nan 0.000 0.483 245 L N 1.183 122.300 121.223 -0.177 0.000 2.940 245 L HA 0.761 5.090 4.340 -0.018 0.000 0.270 245 L C -2.106 174.613 176.870 -0.251 0.000 1.030 245 L CA -1.026 53.712 54.840 -0.169 0.000 0.928 245 L CB 1.770 43.741 42.059 -0.146 0.000 1.506 245 L HN 0.404 nan 8.230 nan 0.000 0.405 246 D N 1.493 121.824 120.400 -0.114 0.000 2.391 246 D HA 0.448 5.077 4.640 -0.018 0.000 0.245 246 D C -0.794 175.509 176.300 0.006 0.000 1.069 246 D CA -0.257 53.740 54.000 -0.005 0.000 0.831 246 D CB 3.209 44.059 40.800 0.084 0.000 1.204 246 D HN 0.356 nan 8.370 nan 0.000 0.503 247 V N 2.368 122.285 119.914 0.005 0.000 2.339 247 V HA 0.434 4.543 4.120 -0.018 0.000 0.261 247 V C 0.976 177.127 176.094 0.094 0.000 1.058 247 V CA -0.367 61.929 62.300 -0.007 0.000 0.897 247 V CB 0.984 32.787 31.823 -0.032 0.000 1.052 247 V HN 0.582 nan 8.190 nan 0.000 0.480 248 G N 3.150 112.036 108.800 0.143 0.000 2.488 248 G HA2 0.681 4.630 3.960 -0.018 0.000 0.318 248 G HA3 0.681 4.630 3.960 -0.018 0.000 0.318 248 G C -1.467 173.520 174.900 0.145 0.000 1.188 248 G CA -0.463 44.760 45.100 0.205 0.000 0.944 248 G HN 0.485 nan 8.290 nan 0.000 0.495 249 F N 0.136 120.067 119.950 -0.031 0.000 2.607 249 F HA 0.467 4.983 4.527 -0.018 0.000 0.322 249 F C -1.287 174.459 175.800 -0.090 0.000 1.176 249 F CA -0.945 56.988 58.000 -0.111 0.000 0.977 249 F CB 2.392 41.310 39.000 -0.136 0.000 1.242 249 F HN 0.512 nan 8.300 nan 0.000 0.465 250 D N 3.921 123.918 120.400 -0.672 0.000 2.350 250 D HA 0.305 4.934 4.640 -0.018 0.000 0.245 250 D C 0.385 176.315 176.300 -0.618 0.000 1.036 250 D CA -0.542 53.211 54.000 -0.413 0.000 0.848 250 D CB 2.377 43.057 40.800 -0.199 0.000 1.307 250 D HN 0.381 nan 8.370 nan 0.000 0.469 251 V N 4.273 124.014 119.914 -0.290 0.000 2.594 251 V HA -0.144 3.965 4.120 -0.018 0.000 0.253 251 V C 2.094 178.109 176.094 -0.131 0.000 1.069 251 V CA 2.106 64.289 62.300 -0.194 0.000 1.082 251 V CB -0.399 31.344 31.823 -0.134 0.000 0.680 251 V HN 0.630 nan 8.190 nan 0.000 0.469 252 R N -0.487 119.998 120.500 -0.024 0.000 2.057 252 R HA -0.054 4.275 4.340 -0.018 0.000 0.224 252 R C 2.238 178.480 176.300 -0.096 0.000 1.136 252 R CA 1.712 57.801 56.100 -0.017 0.000 0.968 252 R CB -0.215 30.064 30.300 -0.035 0.000 0.863 252 R HN 0.576 nan 8.270 nan 0.000 0.433 253 E N -0.611 119.504 120.200 -0.141 0.000 2.230 253 E HA 0.119 4.459 4.350 -0.018 0.000 0.192 253 E C 0.715 177.117 176.600 -0.330 0.000 0.987 253 E CA 0.419 56.724 56.400 -0.159 0.000 0.841 253 E CB 0.483 30.135 29.700 -0.081 0.000 0.783 253 E HN 0.568 nan 8.360 nan 0.000 0.481 254 G N 0.658 109.050 108.800 -0.680 0.000 2.488 254 G HA2 -0.286 3.663 3.960 -0.018 0.000 0.237 254 G HA3 -0.286 3.663 3.960 -0.018 0.000 0.237 254 G C -0.172 174.137 174.900 -0.986 0.000 1.209 254 G CA -0.375 44.017 45.100 -1.180 0.000 0.929 254 G HN 0.098 nan 8.290 nan 0.000 0.578 255 V N 0.676 120.249 119.914 -0.569 0.000 2.540 255 V HA 0.406 4.515 4.120 -0.018 0.000 0.297 255 V C 0.786 176.810 176.094 -0.118 0.000 1.024 255 V CA 0.250 62.496 62.300 -0.090 0.000 1.105 255 V CB 0.901 32.862 31.823 0.230 0.000 0.938 255 V HN 0.894 nan 8.190 nan 0.000 0.482 256 V N 6.763 126.547 119.914 -0.217 0.000 2.588 256 V HA 0.463 4.572 4.120 -0.018 0.000 0.304 256 V C -0.196 175.571 176.094 -0.546 0.000 1.042 256 V CA -0.642 61.429 62.300 -0.382 0.000 0.877 256 V CB 1.975 33.589 31.823 -0.349 0.000 0.996 256 V HN 0.616 nan 8.190 nan 0.000 0.425 257 L N 5.062 125.844 121.223 -0.736 0.000 2.289 257 L HA 0.612 4.941 4.340 -0.018 0.000 0.285 257 L C -0.450 176.013 176.870 -0.679 0.000 1.049 257 L CA -0.538 53.900 54.840 -0.669 0.000 0.804 257 L CB 0.903 42.491 42.059 -0.785 0.000 1.195 257 L HN 0.603 nan 8.230 nan 0.000 0.428 258 H N 3.763 122.668 119.070 -0.276 0.000 2.524 258 H HA 0.275 4.820 4.556 -0.018 0.000 0.353 258 H C -0.221 174.901 175.328 -0.342 0.000 1.136 258 H CA -0.718 55.145 56.048 -0.309 0.000 1.193 258 H CB 1.902 31.448 29.762 -0.359 0.000 1.558 258 H HN 0.555 nan 8.280 nan 0.000 0.515 259 N N 1.611 120.177 118.700 -0.224 0.000 2.714 259 N HA -0.200 4.529 4.740 -0.018 0.000 0.253 259 N C -0.353 175.095 175.510 -0.103 0.000 1.024 259 N CA 0.485 53.413 53.050 -0.203 0.000 0.726 259 N CB -1.285 37.029 38.487 -0.287 0.000 0.908 259 N HN 0.554 nan 8.380 nan 0.000 0.542 260 I N 0.563 121.078 120.570 -0.092 0.000 2.517 260 I HA 0.272 4.431 4.170 -0.018 0.000 0.285 260 I C 0.978 177.157 176.117 0.103 0.000 1.106 260 I CA 0.178 61.487 61.300 0.016 0.000 1.402 260 I CB 0.594 38.579 38.000 -0.026 0.000 1.399 260 I HN 0.352 nan 8.210 nan 0.000 0.535 261 A N 6.851 129.799 122.820 0.213 0.000 2.556 261 A HA 0.769 5.079 4.320 -0.018 0.000 0.294 261 A C -1.568 176.174 177.584 0.262 0.000 1.091 261 A CA -0.443 51.711 52.037 0.195 0.000 0.704 261 A CB 1.464 20.529 19.000 0.108 0.000 1.300 261 A HN 0.515 nan 8.150 nan 0.000 0.406 262 F N 1.150 121.113 119.950 0.022 0.000 2.493 262 F HA 0.510 5.027 4.527 -0.018 0.000 0.329 262 F C 0.462 176.283 175.800 0.035 0.000 1.126 262 F CA -0.543 57.404 58.000 -0.089 0.000 0.937 262 F CB 1.754 40.651 39.000 -0.172 0.000 1.146 262 F HN 0.591 nan 8.300 nan 0.000 0.442 263 R N 3.552 123.955 120.500 -0.161 0.000 2.441 263 R HA 0.090 4.420 4.340 -0.018 0.000 0.300 263 R C -0.956 175.423 176.300 0.132 0.000 1.284 263 R CA -0.301 55.787 56.100 -0.020 0.000 1.069 263 R CB -0.178 30.054 30.300 -0.114 0.000 1.087 263 R HN 0.456 nan 8.270 nan 0.000 0.519 264 D N 2.671 123.253 120.400 0.303 0.000 2.494 264 D HA 0.182 4.811 4.640 -0.018 0.000 0.217 264 D C 1.216 177.612 176.300 0.159 0.000 1.153 264 D CA 0.747 54.952 54.000 0.342 0.000 0.954 264 D CB 0.418 41.441 40.800 0.372 0.000 1.034 264 D HN 0.701 nan 8.370 nan 0.000 0.518 265 G N 4.465 113.329 108.800 0.106 0.000 2.595 265 G HA2 -0.360 3.590 3.960 -0.018 0.000 0.297 265 G HA3 -0.360 3.590 3.960 -0.018 0.000 0.297 265 G C 0.912 175.833 174.900 0.036 0.000 1.181 265 G CA 0.404 45.537 45.100 0.055 0.000 0.963 265 G HN 0.508 nan 8.290 nan 0.000 0.541 266 D N 1.785 122.204 120.400 0.032 0.000 2.216 266 D HA 0.030 4.660 4.640 -0.018 0.000 0.208 266 D C 1.602 177.917 176.300 0.026 0.000 0.960 266 D CA 1.011 55.024 54.000 0.022 0.000 0.861 266 D CB 0.075 40.884 40.800 0.015 0.000 0.985 266 D HN 0.720 nan 8.370 nan 0.000 0.493 267 R N 1.139 121.659 120.500 0.034 0.000 2.441 267 R HA 0.388 4.717 4.340 -0.018 0.000 0.284 267 R C -0.412 175.924 176.300 0.060 0.000 1.070 267 R CA -0.662 55.459 56.100 0.036 0.000 1.047 267 R CB 1.178 31.490 30.300 0.020 0.000 1.016 267 R HN -0.104 nan 8.270 nan 0.000 0.477 268 L N 3.534 124.788 121.223 0.052 0.000 2.259 268 L HA 0.301 4.630 4.340 -0.018 0.000 0.288 268 L C -0.483 176.435 176.870 0.081 0.000 1.051 268 L CA -0.409 54.473 54.840 0.070 0.000 0.824 268 L CB 0.672 42.763 42.059 0.053 0.000 1.206 268 L HN 0.609 nan 8.230 nan 0.000 0.429 269 R N 6.229 126.815 120.500 0.144 0.000 2.207 269 R HA 0.426 4.756 4.340 -0.018 0.000 0.334 269 R C -2.329 174.077 176.300 0.177 0.000 1.013 269 R CA -1.772 54.423 56.100 0.159 0.000 0.858 269 R CB 0.536 30.963 30.300 0.211 0.000 1.094 269 R HN 0.456 nan 8.270 nan 0.000 0.457 270 P HA 0.072 nan 4.420 nan 0.000 0.271 270 P C -0.042 177.254 177.300 -0.008 0.000 1.218 270 P CA 0.219 63.311 63.100 -0.013 0.000 0.780 270 P CB 0.806 32.420 31.700 -0.143 0.000 0.901 271 I N 1.190 121.700 120.570 -0.100 0.000 3.746 271 I HA 0.239 4.398 4.170 -0.018 0.000 0.262 271 I C 0.509 176.484 176.117 -0.236 0.000 1.153 271 I CA 0.270 61.413 61.300 -0.262 0.000 1.395 271 I CB 0.276 38.027 38.000 -0.415 0.000 1.589 271 I HN 0.137 nan 8.210 nan 0.000 0.441 272 I N 1.403 121.867 120.570 -0.176 0.000 2.447 272 I HA 0.168 4.328 4.170 -0.018 0.000 0.287 272 I C 0.365 176.394 176.117 -0.146 0.000 1.023 272 I CA -0.234 60.972 61.300 -0.157 0.000 1.083 272 I CB 2.018 39.926 38.000 -0.153 0.000 1.245 272 I HN 0.051 nan 8.210 nan 0.000 0.434 273 N N 5.034 123.665 118.700 -0.116 0.000 2.106 273 N HA -0.007 4.722 4.740 -0.018 0.000 0.188 273 N C 0.430 175.890 175.510 -0.084 0.000 1.029 273 N CA 1.479 54.489 53.050 -0.067 0.000 0.848 273 N CB 0.384 38.936 38.487 0.107 0.000 1.007 273 N HN 0.540 nan 8.380 nan 0.000 0.423 274 R N -0.702 119.724 120.500 -0.123 0.000 2.535 274 R HA 0.608 4.938 4.340 -0.018 0.000 0.274 274 R C -2.077 174.055 176.300 -0.280 0.000 1.090 274 R CA -0.650 55.322 56.100 -0.214 0.000 0.930 274 R CB 1.555 31.792 30.300 -0.106 0.000 1.223 274 R HN 0.112 nan 8.270 nan 0.000 0.441 275 A N 2.158 124.724 122.820 -0.422 0.000 2.374 275 A HA 0.733 5.042 4.320 -0.018 0.000 0.305 275 A C -1.092 176.220 177.584 -0.453 0.000 1.053 275 A CA -0.445 51.337 52.037 -0.426 0.000 0.726 275 A CB 1.631 20.258 19.000 -0.621 0.000 1.229 275 A HN 0.816 nan 8.150 nan 0.000 0.431 276 S N 1.175 116.786 115.700 -0.149 0.000 2.615 276 S HA 0.674 5.133 4.470 -0.018 0.000 0.269 276 S C -1.177 173.513 174.600 0.149 0.000 1.161 276 S CA -0.712 57.486 58.200 -0.003 0.000 0.817 276 S CB 0.904 64.042 63.200 -0.103 0.000 1.131 276 S HN 0.572 nan 8.310 nan 0.000 0.467 277 I N 2.244 122.905 120.570 0.151 0.000 2.282 277 I HA 0.401 4.560 4.170 -0.018 0.000 0.290 277 I C 1.361 177.539 176.117 0.102 0.000 1.090 277 I CA -0.528 60.851 61.300 0.132 0.000 1.231 277 I CB 0.174 38.281 38.000 0.179 0.000 1.434 277 I HN 0.984 nan 8.210 nan 0.000 0.487 278 A N 5.091 127.972 122.820 0.101 0.000 2.119 278 A HA 0.051 4.361 4.320 -0.018 0.000 0.216 278 A C 0.796 178.444 177.584 0.106 0.000 1.152 278 A CA 1.036 53.164 52.037 0.153 0.000 0.708 278 A CB 0.103 19.222 19.000 0.198 0.000 0.805 278 A HN 0.651 nan 8.150 nan 0.000 0.460 279 E N -1.699 118.500 120.200 -0.001 0.000 2.396 279 E HA 0.576 4.915 4.350 -0.018 0.000 0.280 279 E C -1.083 175.511 176.600 -0.011 0.000 1.065 279 E CA -0.393 55.963 56.400 -0.074 0.000 0.831 279 E CB 0.993 30.459 29.700 -0.390 0.000 1.272 279 E HN 0.458 nan 8.360 nan 0.000 0.443 280 M N 1.868 121.491 119.600 0.038 0.000 2.294 280 M HA 0.647 5.116 4.480 -0.018 0.000 0.280 280 M C -1.825 174.403 176.300 -0.119 0.000 1.085 280 M CA -0.984 54.235 55.300 -0.135 0.000 0.969 280 M CB 1.837 34.224 32.600 -0.354 0.000 1.770 280 M HN 0.270 nan 8.290 nan 0.000 0.485 281 V N 3.560 123.323 119.914 -0.252 0.000 2.628 281 V HA 0.828 4.938 4.120 -0.018 0.000 0.306 281 V C -1.287 174.535 176.094 -0.453 0.000 1.045 281 V CA -0.483 61.524 62.300 -0.489 0.000 0.905 281 V CB 2.353 33.718 31.823 -0.763 0.000 0.997 281 V HN 0.811 nan 8.190 nan 0.000 0.436 282 V N 8.407 128.075 119.914 -0.409 0.000 2.320 282 V HA 0.405 4.514 4.120 -0.018 0.000 0.268 282 V C -2.421 173.385 176.094 -0.480 0.000 1.021 282 V CA -1.252 60.795 62.300 -0.423 0.000 0.813 282 V CB 1.340 33.034 31.823 -0.215 0.000 1.054 282 V HN 0.822 nan 8.190 nan 0.000 0.444 283 P HA 0.344 nan 4.420 nan 0.000 0.285 283 P C -1.294 175.745 177.300 -0.434 0.000 1.259 283 P CA -0.346 62.529 63.100 -0.375 0.000 0.794 283 P CB 1.201 32.716 31.700 -0.308 0.000 0.940 284 Y N 0.452 120.578 120.300 -0.289 0.000 2.361 284 Y HA 0.471 5.011 4.550 -0.018 0.000 0.332 284 Y C 1.725 177.551 175.900 -0.123 0.000 1.101 284 Y CA 0.271 58.253 58.100 -0.196 0.000 1.137 284 Y CB 1.460 39.734 38.460 -0.310 0.000 1.207 284 Y HN 0.481 nan 8.280 nan 0.000 0.463 285 G N 1.183 110.015 108.800 0.054 0.000 3.707 285 G HA2 0.002 3.952 3.960 -0.018 0.000 0.286 285 G HA3 0.002 3.952 3.960 -0.018 0.000 0.286 285 G C -0.699 174.233 174.900 0.053 0.000 1.112 285 G CA -0.175 44.960 45.100 0.059 0.000 0.861 285 G HN 0.502 nan 8.290 nan 0.000 0.534 286 D N 1.356 121.771 120.400 0.025 0.000 2.359 286 D HA 0.248 4.878 4.640 -0.018 0.000 0.230 286 D C -1.307 174.965 176.300 -0.048 0.000 1.118 286 D CA -2.358 51.623 54.000 -0.032 0.000 0.844 286 D CB 2.216 42.993 40.800 -0.037 0.000 1.059 286 D HN 0.044 nan 8.370 nan 0.000 0.493 287 P HA -0.014 nan 4.420 nan 0.000 0.252 287 P C 0.216 177.503 177.300 -0.021 0.000 1.265 287 P CA -0.079 63.006 63.100 -0.024 0.000 0.775 287 P CB 0.051 31.748 31.700 -0.005 0.000 1.128 288 S N 2.451 118.130 115.700 -0.035 0.000 2.531 288 S HA 0.161 4.620 4.470 -0.018 0.000 0.279 288 S C -0.946 173.658 174.600 0.008 0.000 1.305 288 S CA -1.307 56.886 58.200 -0.011 0.000 1.058 288 S CB 0.360 63.537 63.200 -0.038 0.000 0.899 288 S HN 0.007 nan 8.310 nan 0.000 0.493 289 P HA -0.116 nan 4.420 nan 0.000 0.223 289 P C 1.344 178.788 177.300 0.239 0.000 1.144 289 P CA 0.743 63.925 63.100 0.137 0.000 0.783 289 P CB -0.049 31.736 31.700 0.142 0.000 0.771 290 I N -0.348 120.325 120.570 0.171 0.000 2.546 290 I HA -0.082 4.077 4.170 -0.018 0.000 0.255 290 I C 2.167 178.419 176.117 0.225 0.000 1.163 290 I CA 1.275 62.723 61.300 0.246 0.000 1.457 290 I CB -0.961 37.100 38.000 0.102 0.000 1.092 290 I HN 0.034 nan 8.210 nan 0.000 0.434 291 R N -0.555 119.873 120.500 -0.121 0.000 2.541 291 R HA 0.095 4.424 4.340 -0.018 0.000 0.332 291 R C 1.908 177.765 176.300 -0.739 0.000 0.951 291 R CA 0.453 56.203 56.100 -0.583 0.000 1.136 291 R CB 0.331 30.406 30.300 -0.375 0.000 1.449 291 R HN 0.263 nan 8.270 nan 0.000 0.531 292 S N 0.684 116.139 115.700 -0.409 0.000 2.537 292 S HA -0.104 4.356 4.470 -0.018 0.000 0.240 292 S C 1.339 175.700 174.600 -0.399 0.000 0.981 292 S CA 0.343 58.362 58.200 -0.303 0.000 0.948 292 S CB -0.371 62.748 63.200 -0.134 0.000 0.759 292 S HN 0.594 nan 8.310 nan 0.000 0.531 293 W N 0.306 121.398 121.300 -0.347 0.000 3.114 293 W HA 0.389 5.038 4.660 -0.018 0.000 0.279 293 W C 0.481 176.959 176.519 -0.068 0.000 1.277 293 W CA -0.678 56.308 57.345 -0.599 0.000 1.630 293 W CB -0.620 28.437 29.460 -0.671 0.000 1.087 293 W HN 0.263 nan 8.180 nan 0.000 0.637 294 Q N 2.916 122.211 119.800 -0.842 0.000 2.263 294 Q HA 0.088 4.417 4.340 -0.018 0.000 0.270 294 Q C -0.735 175.008 176.000 -0.428 0.000 1.104 294 Q CA 0.787 56.101 55.803 -0.814 0.000 0.909 294 Q CB 0.081 28.056 28.738 -1.271 0.000 1.214 294 Q HN 0.054 nan 8.270 nan 0.000 0.400 295 N N 4.382 122.873 118.700 -0.348 0.000 2.578 295 N HA 0.145 4.874 4.740 -0.018 0.000 0.282 295 N C -1.946 173.454 175.510 -0.182 0.000 1.119 295 N CA -0.460 52.397 53.050 -0.322 0.000 0.948 295 N CB 1.145 39.587 38.487 -0.075 0.000 1.546 295 N HN 0.356 nan 8.380 nan 0.000 0.525 296 Y N 1.014 121.331 120.300 0.029 0.000 2.328 296 Y HA 0.469 5.009 4.550 -0.018 0.000 0.337 296 Y C -0.108 175.815 175.900 0.039 0.000 0.966 296 Y CA -0.971 57.237 58.100 0.180 0.000 1.136 296 Y CB 0.560 39.225 38.460 0.341 0.000 1.170 296 Y HN 0.352 nan 8.280 nan 0.000 0.470 297 F N 3.285 123.370 119.950 0.224 0.000 2.425 297 F HA 0.250 4.767 4.527 -0.018 0.000 0.354 297 F C 1.190 177.104 175.800 0.190 0.000 1.162 297 F CA -0.604 57.476 58.000 0.133 0.000 1.250 297 F CB 0.264 39.294 39.000 0.051 0.000 1.579 297 F HN 0.598 nan 8.300 nan 0.000 0.589 298 D N 0.612 121.268 120.400 0.426 0.000 2.190 298 D HA -0.163 4.467 4.640 -0.018 0.000 0.200 298 D C 1.788 178.332 176.300 0.407 0.000 0.992 298 D CA 1.785 56.108 54.000 0.539 0.000 0.854 298 D CB 0.214 41.257 40.800 0.404 0.000 0.936 298 D HN 0.409 nan 8.370 nan 0.000 0.462 299 T N -0.221 114.486 114.554 0.255 0.000 2.814 299 T HA 0.002 4.342 4.350 -0.018 0.000 0.254 299 T C 2.018 176.754 174.700 0.060 0.000 1.037 299 T CA 1.180 63.368 62.100 0.147 0.000 1.143 299 T CB -0.436 68.482 68.868 0.083 0.000 0.866 299 T HN 0.204 nan 8.240 nan 0.000 0.431 300 G N 0.997 109.817 108.800 0.032 0.000 2.403 300 G HA2 -0.115 3.835 3.960 -0.018 0.000 0.216 300 G HA3 -0.115 3.835 3.960 -0.018 0.000 0.216 300 G C 1.460 176.316 174.900 -0.074 0.000 1.154 300 G CA 0.539 45.571 45.100 -0.113 0.000 0.784 300 G HN 0.484 nan 8.290 nan 0.000 0.538 301 E N -0.974 119.221 120.200 -0.009 0.000 2.102 301 E HA 0.071 4.410 4.350 -0.018 0.000 0.190 301 E C 1.946 178.504 176.600 -0.069 0.000 0.971 301 E CA 0.460 56.788 56.400 -0.120 0.000 0.821 301 E CB 0.006 29.546 29.700 -0.267 0.000 0.777 301 E HN 0.625 nan 8.360 nan 0.000 0.460 302 Y N 0.015 120.474 120.300 0.265 0.000 2.503 302 Y HA 0.252 4.791 4.550 -0.018 0.000 0.277 302 Y C 0.079 176.188 175.900 0.349 0.000 1.102 302 Y CA -0.175 58.151 58.100 0.376 0.000 1.261 302 Y CB 0.549 39.281 38.460 0.452 0.000 1.096 302 Y HN -0.157 nan 8.280 nan 0.000 0.546 303 L N 0.817 122.255 121.223 0.358 0.000 2.939 303 L HA -0.209 4.120 4.340 -0.018 0.000 0.705 303 L C 1.100 178.118 176.870 0.247 0.000 1.098 303 L CA -0.114 54.849 54.840 0.204 0.000 1.347 303 L CB -1.700 40.433 42.059 0.124 0.000 1.956 303 L HN 0.188 nan 8.230 nan 0.000 0.922 304 V N -0.701 119.381 119.914 0.280 0.000 2.453 304 V HA -0.188 3.922 4.120 -0.018 0.000 0.252 304 V C 2.234 178.513 176.094 0.309 0.000 1.068 304 V CA 2.335 64.856 62.300 0.368 0.000 1.070 304 V CB -0.705 31.328 31.823 0.350 0.000 0.664 304 V HN 0.838 nan 8.190 nan 0.000 0.461 305 G N 1.179 110.024 108.800 0.075 0.000 2.422 305 G HA2 -0.293 3.657 3.960 -0.018 0.000 0.218 305 G HA3 -0.293 3.657 3.960 -0.018 0.000 0.218 305 G C 1.563 176.582 174.900 0.199 0.000 1.146 305 G CA 0.969 46.078 45.100 0.014 0.000 0.769 305 G HN 0.819 nan 8.290 nan 0.000 0.547 306 Q N -0.950 118.833 119.800 -0.028 0.000 2.291 306 Q HA -0.071 4.259 4.340 -0.018 0.000 0.206 306 Q C 1.182 177.044 176.000 -0.231 0.000 0.976 306 Q CA 1.028 56.715 55.803 -0.193 0.000 0.875 306 Q CB -0.341 28.143 28.738 -0.424 0.000 0.927 306 Q HN 0.532 nan 8.270 nan 0.000 0.450 307 Y N 0.843 121.301 120.300 0.263 0.000 2.571 307 Y HA 0.483 5.023 4.550 -0.018 0.000 0.275 307 Y C 0.562 176.639 175.900 0.296 0.000 1.179 307 Y CA -0.902 57.349 58.100 0.251 0.000 1.242 307 Y CB -0.129 38.473 38.460 0.235 0.000 1.126 307 Y HN 0.156 nan 8.280 nan 0.000 0.524 308 A N 0.953 124.027 122.820 0.423 0.000 2.520 308 A HA 0.104 4.414 4.320 -0.018 0.000 0.245 308 A C 0.334 178.111 177.584 0.322 0.000 1.072 308 A CA -0.310 52.009 52.037 0.470 0.000 0.761 308 A CB -0.322 18.938 19.000 0.434 0.000 1.004 308 A HN 0.606 nan 8.150 nan 0.000 0.499 309 N N 0.951 119.848 118.700 0.329 0.000 2.424 309 N HA 0.290 5.019 4.740 -0.018 0.000 0.257 309 N C -0.354 175.250 175.510 0.157 0.000 1.250 309 N CA -0.275 52.904 53.050 0.216 0.000 0.946 309 N CB 0.554 39.154 38.487 0.189 0.000 1.175 309 N HN 0.529 nan 8.380 nan 0.000 0.477 310 S N 1.139 116.891 115.700 0.087 0.000 2.430 310 S HA 0.231 4.690 4.470 -0.018 0.000 0.289 310 S C 0.049 174.667 174.600 0.030 0.000 1.143 310 S CA -0.649 57.567 58.200 0.027 0.000 1.067 310 S CB 0.017 63.207 63.200 -0.016 0.000 0.964 310 S HN 0.264 nan 8.310 nan 0.000 0.485 311 L N 3.145 124.402 121.223 0.056 0.000 2.380 311 L HA 0.359 4.688 4.340 -0.018 0.000 0.273 311 L C 0.447 177.345 176.870 0.047 0.000 1.138 311 L CA -0.474 54.427 54.840 0.102 0.000 0.832 311 L CB 0.356 42.564 42.059 0.247 0.000 1.124 311 L HN 0.436 nan 8.230 nan 0.000 0.454 312 E N 2.119 122.351 120.200 0.054 0.000 2.249 312 E HA 0.325 4.664 4.350 -0.018 0.000 0.280 312 E C -0.723 175.941 176.600 0.107 0.000 1.016 312 E CA -0.693 55.732 56.400 0.042 0.000 0.830 312 E CB 1.425 31.133 29.700 0.014 0.000 1.081 312 E HN 0.214 nan 8.360 nan 0.000 0.395 313 L N 2.859 124.158 121.223 0.127 0.000 2.455 313 L HA 0.284 4.614 4.340 -0.018 0.000 0.272 313 L C 1.427 178.341 176.870 0.073 0.000 1.174 313 L CA 1.914 56.844 54.840 0.150 0.000 0.869 313 L CB 0.205 42.361 42.059 0.162 0.000 1.130 313 L HN 0.751 nan 8.230 nan 0.000 0.474 314 G N 2.125 110.956 108.800 0.051 0.000 2.396 314 G HA2 -0.371 3.578 3.960 -0.018 0.000 0.242 314 G HA3 -0.371 3.578 3.960 -0.018 0.000 0.242 314 G C 1.029 175.942 174.900 0.021 0.000 1.069 314 G CA 0.504 45.621 45.100 0.030 0.000 0.633 314 G HN 0.756 nan 8.290 nan 0.000 0.517 315 C N 0.005 119.319 119.300 0.023 0.000 2.564 315 C HA 0.279 4.729 4.460 -0.018 0.000 0.281 315 C C 2.256 177.247 174.990 0.001 0.000 1.314 315 C CA 1.425 60.446 59.018 0.005 0.000 1.706 315 C CB -0.679 27.060 27.740 -0.003 0.000 2.109 315 C HN 0.560 nan 8.230 nan 0.000 0.502 316 D N -0.454 119.957 120.400 0.020 0.000 2.262 316 D HA 0.074 4.703 4.640 -0.018 0.000 0.212 316 D C 0.081 176.417 176.300 0.060 0.000 0.964 316 D CA 0.955 54.973 54.000 0.031 0.000 0.875 316 D CB 0.241 41.069 40.800 0.047 0.000 0.996 316 D HN 0.402 nan 8.370 nan 0.000 0.497 317 c N 2.038 120.658 118.600 0.034 0.000 2.455 317 c HA 0.442 5.001 4.570 -0.018 0.000 0.321 317 c C -0.318 173.715 174.090 -0.096 0.000 1.102 317 c CA -1.145 55.137 56.329 -0.079 0.000 1.413 317 c CB 0.523 42.943 42.510 -0.152 0.000 1.952 317 c HN 0.176 nan 8.230 nan 0.000 0.428 318 L N 4.242 125.416 121.223 -0.083 0.000 2.312 318 L HA 0.938 5.267 4.340 -0.018 0.000 0.281 318 L C 0.514 177.359 176.870 -0.040 0.000 1.070 318 L CA 1.788 56.610 54.840 -0.031 0.000 0.805 318 L CB 0.702 42.770 42.059 0.015 0.000 1.174 318 L HN 1.064 nan 8.230 nan 0.000 0.434 319 G N 3.426 112.224 108.800 -0.003 0.000 2.396 319 G HA2 -0.130 3.819 3.960 -0.018 0.000 0.254 319 G HA3 -0.130 3.819 3.960 -0.018 0.000 0.254 319 G C -1.203 173.710 174.900 0.023 0.000 1.248 319 G CA -0.285 44.837 45.100 0.037 0.000 1.033 319 G HN 0.769 nan 8.290 nan 0.000 0.502 320 D N 1.225 121.665 120.400 0.066 0.000 2.365 320 D HA 0.428 5.057 4.640 -0.018 0.000 0.237 320 D C 0.174 176.513 176.300 0.064 0.000 1.190 320 D CA -0.091 53.944 54.000 0.059 0.000 0.867 320 D CB 0.194 41.037 40.800 0.070 0.000 1.050 320 D HN 0.350 nan 8.370 nan 0.000 0.491 321 I N 2.586 123.137 120.570 -0.032 0.000 2.493 321 I HA 0.224 4.383 4.170 -0.018 0.000 0.298 321 I C 0.521 176.560 176.117 -0.130 0.000 0.998 321 I CA -0.568 60.637 61.300 -0.158 0.000 1.137 321 I CB 1.714 39.423 38.000 -0.484 0.000 1.310 321 I HN 0.136 nan 8.210 nan 0.000 0.445 322 T N 5.901 120.429 114.554 -0.043 0.000 2.786 322 T HA 0.509 4.848 4.350 -0.018 0.000 0.283 322 T C -0.586 174.080 174.700 -0.056 0.000 0.992 322 T CA -0.304 61.835 62.100 0.066 0.000 0.954 322 T CB 0.501 69.565 68.868 0.327 0.000 0.934 322 T HN 0.157 nan 8.240 nan 0.000 0.440 323 Y N 2.114 122.467 120.300 0.089 0.000 2.376 323 Y HA 0.636 5.176 4.550 -0.018 0.000 0.325 323 Y C 0.241 176.163 175.900 0.036 0.000 1.199 323 Y CA -1.211 56.920 58.100 0.052 0.000 1.206 323 Y CB 1.007 39.486 38.460 0.032 0.000 1.229 323 Y HN 0.383 nan 8.280 nan 0.000 0.480 324 L N 1.523 122.870 121.223 0.207 0.000 2.362 324 L HA 0.529 4.858 4.340 -0.018 0.000 0.271 324 L C -0.643 176.241 176.870 0.023 0.000 1.002 324 L CA -0.665 54.226 54.840 0.085 0.000 0.818 324 L CB 2.026 44.108 42.059 0.038 0.000 1.298 324 L HN 0.525 nan 8.230 nan 0.000 0.420 325 S N 3.124 118.808 115.700 -0.026 0.000 2.406 325 S HA 0.336 4.795 4.470 -0.018 0.000 0.224 325 S C -2.385 172.139 174.600 -0.126 0.000 1.426 325 S CA -1.042 57.106 58.200 -0.087 0.000 1.179 325 S CB 0.784 63.950 63.200 -0.057 0.000 1.042 325 S HN 0.380 nan 8.310 nan 0.000 0.479 326 P HA 0.198 nan 4.420 nan 0.000 0.269 326 P C -0.705 176.505 177.300 -0.151 0.000 1.215 326 P CA -0.264 62.684 63.100 -0.253 0.000 0.780 326 P CB 0.711 32.003 31.700 -0.680 0.000 0.898 327 V N 4.022 123.913 119.914 -0.039 0.000 2.459 327 V HA 0.452 4.561 4.120 -0.018 0.000 0.295 327 V C 0.704 176.820 176.094 0.038 0.000 1.029 327 V CA -0.566 61.730 62.300 -0.006 0.000 0.874 327 V CB 1.175 33.004 31.823 0.010 0.000 0.985 327 V HN 0.489 nan 8.190 nan 0.000 0.438 328 I N 1.008 121.590 120.570 0.020 0.000 3.206 328 I HA 0.806 4.965 4.170 -0.018 0.000 0.313 328 I C -0.106 175.999 176.117 -0.019 0.000 1.103 328 I CA -0.666 60.644 61.300 0.016 0.000 0.985 328 I CB 2.292 40.307 38.000 0.026 0.000 1.240 328 I HN 0.526 nan 8.210 nan 0.000 0.464 329 S N 0.970 116.639 115.700 -0.052 0.000 2.578 329 S HA 0.376 4.835 4.470 -0.018 0.000 0.283 329 S C -0.550 174.010 174.600 -0.066 0.000 1.195 329 S CA -0.545 57.619 58.200 -0.060 0.000 1.050 329 S CB 0.814 63.962 63.200 -0.086 0.000 1.012 329 S HN 0.802 nan 8.310 nan 0.000 0.511 330 D N 2.375 122.743 120.400 -0.053 0.000 2.478 330 D HA 0.424 5.053 4.640 -0.018 0.000 0.274 330 D C 1.147 177.340 176.300 -0.179 0.000 1.234 330 D CA -0.170 53.780 54.000 -0.084 0.000 1.069 330 D CB -0.019 40.764 40.800 -0.028 0.000 1.113 330 D HN 0.487 nan 8.370 nan 0.000 0.571 331 A N -1.244 121.362 122.820 -0.357 0.000 2.172 331 A HA 0.005 4.314 4.320 -0.018 0.000 0.216 331 A C 1.245 178.437 177.584 -0.653 0.000 1.154 331 A CA 0.660 52.376 52.037 -0.534 0.000 0.701 331 A CB -0.879 17.715 19.000 -0.677 0.000 0.789 331 A HN 0.433 nan 8.150 nan 0.000 0.465 332 F N -1.607 118.350 119.950 0.012 0.000 2.678 332 F HA 0.396 4.912 4.527 -0.018 0.000 0.305 332 F C 1.766 177.560 175.800 -0.010 0.000 1.090 332 F CA -0.107 57.896 58.000 0.004 0.000 1.272 332 F CB 0.026 39.028 39.000 0.004 0.000 1.060 332 F HN 0.297 nan 8.300 nan 0.000 0.576 333 G N 0.577 109.413 108.800 0.059 0.000 2.175 333 G HA2 -0.287 3.662 3.960 -0.018 0.000 0.244 333 G HA3 -0.287 3.662 3.960 -0.018 0.000 0.244 333 G C 0.005 174.914 174.900 0.015 0.000 0.982 333 G CA -0.239 44.873 45.100 0.019 0.000 0.641 333 G HN 0.416 nan 8.290 nan 0.000 0.527 334 N N 2.261 120.992 118.700 0.052 0.000 2.524 334 N HA 0.529 5.259 4.740 -0.018 0.000 0.283 334 N C -2.265 173.249 175.510 0.007 0.000 1.142 334 N CA -1.164 51.907 53.050 0.035 0.000 0.984 334 N CB 1.483 40.013 38.487 0.071 0.000 1.155 334 N HN 0.131 nan 8.380 nan 0.000 0.467 335 P HA 0.083 nan 4.420 nan 0.000 0.275 335 P C -0.955 176.345 177.300 0.000 0.000 1.227 335 P CA 0.003 63.097 63.100 -0.010 0.000 0.781 335 P CB 0.877 32.569 31.700 -0.014 0.000 0.906 336 R N 2.358 122.856 120.500 -0.003 0.000 2.514 336 R HA 0.234 4.563 4.340 -0.018 0.000 0.296 336 R C -0.569 175.725 176.300 -0.011 0.000 1.012 336 R CA -0.525 55.574 56.100 -0.001 0.000 0.897 336 R CB 1.603 31.904 30.300 0.002 0.000 1.184 336 R HN 0.587 nan 8.270 nan 0.000 0.440 337 E N 5.032 125.222 120.200 -0.015 0.000 2.249 337 E HA 0.222 4.562 4.350 -0.018 0.000 0.280 337 E C -0.465 176.108 176.600 -0.046 0.000 1.016 337 E CA -0.458 55.922 56.400 -0.035 0.000 0.830 337 E CB 0.929 30.611 29.700 -0.030 0.000 1.081 337 E HN 0.514 nan 8.360 nan 0.000 0.395 338 I N 5.149 125.666 120.570 -0.087 0.000 2.276 338 I HA 0.188 4.347 4.170 -0.018 0.000 0.290 338 I C 0.341 176.398 176.117 -0.100 0.000 1.109 338 I CA -0.560 60.685 61.300 -0.092 0.000 1.229 338 I CB 0.406 38.308 38.000 -0.162 0.000 1.452 338 I HN 0.390 nan 8.210 nan 0.000 0.497 339 R N 6.443 126.899 120.500 -0.073 0.000 2.538 339 R HA -0.007 4.322 4.340 -0.018 0.000 0.282 339 R C 0.521 176.740 176.300 -0.134 0.000 1.009 339 R CA 0.382 56.425 56.100 -0.094 0.000 1.063 339 R CB 0.061 30.311 30.300 -0.083 0.000 0.945 339 R HN 0.573 nan 8.270 nan 0.000 0.414 340 N N 2.514 121.104 118.700 -0.183 0.000 2.708 340 N HA -0.189 4.540 4.740 -0.018 0.000 0.251 340 N C 0.474 175.952 175.510 -0.053 0.000 1.017 340 N CA 1.284 54.157 53.050 -0.295 0.000 0.742 340 N CB -1.192 36.801 38.487 -0.823 0.000 0.943 340 N HN 0.869 nan 8.380 nan 0.000 0.539 341 G N -1.088 107.698 108.800 -0.025 0.000 2.712 341 G HA2 0.231 4.181 3.960 -0.018 0.000 0.212 341 G HA3 0.231 4.181 3.960 -0.018 0.000 0.212 341 G C 0.538 175.501 174.900 0.104 0.000 1.142 341 G CA 0.175 45.280 45.100 0.008 0.000 0.789 341 G HN 0.449 nan 8.290 nan 0.000 0.535 342 I N 0.197 120.850 120.570 0.139 0.000 2.498 342 I HA 0.307 4.467 4.170 -0.018 0.000 0.290 342 I C -0.850 175.394 176.117 0.211 0.000 1.032 342 I CA -0.879 60.524 61.300 0.171 0.000 1.073 342 I CB 2.578 40.617 38.000 0.066 0.000 1.251 342 I HN -0.199 nan 8.210 nan 0.000 0.426 343 c N 6.867 125.549 118.600 0.137 0.000 2.329 343 c HA 0.666 5.225 4.570 -0.018 0.000 0.329 343 c C 0.017 174.105 174.090 -0.003 0.000 1.275 343 c CA -0.485 55.828 56.329 -0.026 0.000 1.726 343 c CB 0.677 43.171 42.510 -0.026 0.000 2.291 343 c HN 0.651 nan 8.230 nan 0.000 0.514 344 M N 4.422 123.982 119.600 -0.067 0.000 2.263 344 M HA 0.479 4.949 4.480 -0.018 0.000 0.295 344 M C -0.636 175.659 176.300 -0.008 0.000 1.028 344 M CA -0.099 55.127 55.300 -0.124 0.000 0.921 344 M CB 1.589 34.046 32.600 -0.238 0.000 1.601 344 M HN 1.061 nan 8.290 nan 0.000 0.440 345 H N 0.053 118.917 119.070 -0.343 0.000 2.917 345 H HA 0.609 5.154 4.556 -0.018 0.000 0.299 345 H C -1.966 173.238 175.328 -0.207 0.000 1.418 345 H CA -1.345 54.658 56.048 -0.075 0.000 1.138 345 H CB 1.252 31.022 29.762 0.013 0.000 1.830 345 H HN 0.593 nan 8.280 nan 0.000 0.514 346 E N 0.676 120.841 120.200 -0.058 0.000 2.212 346 E HA 0.418 4.758 4.350 -0.018 0.000 0.268 346 E C -1.162 175.397 176.600 -0.069 0.000 0.902 346 E CA -1.114 55.167 56.400 -0.198 0.000 0.779 346 E CB 2.804 32.582 29.700 0.131 0.000 1.172 346 E HN 0.750 nan 8.360 nan 0.000 0.409 347 E N 2.022 122.156 120.200 -0.110 0.000 2.293 347 E HA 0.267 4.607 4.350 -0.018 0.000 0.270 347 E C -1.280 175.419 176.600 0.165 0.000 0.879 347 E CA -1.033 55.395 56.400 0.046 0.000 0.756 347 E CB 1.650 31.366 29.700 0.025 0.000 1.208 347 E HN 0.527 nan 8.360 nan 0.000 0.428 348 D N 1.897 122.418 120.400 0.203 0.000 2.472 348 D HA -0.106 4.523 4.640 -0.018 0.000 0.237 348 D C -0.928 175.592 176.300 0.368 0.000 1.141 348 D CA 0.284 54.424 54.000 0.233 0.000 0.875 348 D CB 0.507 41.396 40.800 0.148 0.000 1.192 348 D HN 0.550 nan 8.370 nan 0.000 0.450 349 W N 5.784 127.126 121.300 0.069 0.000 1.340 349 W HA 0.367 5.016 4.660 -0.018 0.000 0.301 349 W C 0.344 176.895 176.519 0.054 0.000 0.834 349 W CA 0.064 57.449 57.345 0.068 0.000 2.473 349 W CB 0.080 29.629 29.460 0.147 0.000 1.837 349 W HN 0.850 nan 8.180 nan 0.000 0.528 350 G N 1.943 110.691 108.800 -0.086 0.000 2.547 350 G HA2 -0.328 3.621 3.960 -0.018 0.000 0.271 350 G HA3 -0.328 3.621 3.960 -0.018 0.000 0.271 350 G C -0.467 174.411 174.900 -0.036 0.000 1.209 350 G CA 0.007 45.026 45.100 -0.136 0.000 0.959 350 G HN 0.060 nan 8.290 nan 0.000 0.563 351 I N 1.547 122.083 120.570 -0.056 0.000 2.371 351 I HA 0.281 4.440 4.170 -0.018 0.000 0.290 351 I C 1.530 177.665 176.117 0.030 0.000 1.028 351 I CA -0.216 61.076 61.300 -0.013 0.000 1.345 351 I CB 0.839 38.822 38.000 -0.028 0.000 1.407 351 I HN 0.633 nan 8.210 nan 0.000 0.501 352 L N 6.641 127.899 121.223 0.058 0.000 2.145 352 L HA 0.446 4.775 4.340 -0.018 0.000 0.201 352 L C 0.652 177.571 176.870 0.082 0.000 1.075 352 L CA 1.135 56.030 54.840 0.093 0.000 0.773 352 L CB 0.084 42.206 42.059 0.106 0.000 0.936 352 L HN 0.704 nan 8.230 nan 0.000 0.451 353 A N -0.635 122.236 122.820 0.085 0.000 2.589 353 A HA 0.662 4.972 4.320 -0.018 0.000 0.296 353 A C -1.105 176.573 177.584 0.157 0.000 1.062 353 A CA -0.613 51.504 52.037 0.133 0.000 0.686 353 A CB 1.144 20.267 19.000 0.206 0.000 1.282 353 A HN 0.064 nan 8.150 nan 0.000 0.404 354 K N 0.751 121.261 120.400 0.183 0.000 2.557 354 K HA 0.580 4.890 4.320 -0.018 0.000 0.261 354 K C -2.199 174.547 176.600 0.243 0.000 0.932 354 K CA -0.523 55.879 56.287 0.191 0.000 0.829 354 K CB 1.836 34.383 32.500 0.078 0.000 1.358 354 K HN 1.096 nan 8.250 nan 0.000 0.430 355 H N 0.195 119.344 119.070 0.131 0.000 3.137 355 H HA 0.328 4.873 4.556 -0.018 0.000 0.336 355 H C -1.948 173.411 175.328 0.052 0.000 1.055 355 H CA -0.329 55.752 56.048 0.056 0.000 1.349 355 H CB 1.736 31.507 29.762 0.015 0.000 1.939 355 H HN 0.408 nan 8.280 nan 0.000 0.487 356 S N 4.175 119.533 115.700 -0.571 0.000 2.532 356 S HA 0.157 4.617 4.470 -0.018 0.000 0.318 356 S C -0.724 173.463 174.600 -0.689 0.000 1.083 356 S CA -0.652 57.297 58.200 -0.417 0.000 1.131 356 S CB 0.440 63.500 63.200 -0.233 0.000 0.973 356 S HN 0.650 nan 8.310 nan 0.000 0.468 357 D N 2.159 122.275 120.400 -0.473 0.000 2.249 357 D HA 0.279 4.908 4.640 -0.018 0.000 0.246 357 D C 0.960 177.182 176.300 -0.131 0.000 1.114 357 D CA -0.553 53.295 54.000 -0.252 0.000 0.854 357 D CB 0.844 41.696 40.800 0.086 0.000 1.132 357 D HN 0.271 nan 8.370 nan 0.000 0.461 358 L N 5.449 126.560 121.223 -0.188 0.000 1.988 358 L HA -0.016 4.313 4.340 -0.018 0.000 0.207 358 L C 1.491 178.396 176.870 0.058 0.000 1.071 358 L CA 1.493 56.262 54.840 -0.119 0.000 0.744 358 L CB -0.496 41.425 42.059 -0.230 0.000 0.893 358 L HN 0.600 nan 8.230 nan 0.000 0.433 359 W N -0.015 121.295 121.300 0.017 0.000 2.331 359 W HA -0.174 4.482 4.660 -0.007 0.000 0.291 359 W C 2.923 179.450 176.519 0.014 0.000 1.214 359 W CA 1.617 58.971 57.345 0.017 0.000 1.228 359 W CB -1.683 27.791 29.460 0.022 0.000 1.135 359 W HN 0.598 nan 8.180 nan 0.000 0.537 360 S N -1.649 114.184 115.700 0.222 0.000 2.502 360 S HA 0.354 4.813 4.470 -0.018 0.000 0.215 360 S C 1.729 176.379 174.600 0.084 0.000 1.009 360 S CA 0.749 59.031 58.200 0.137 0.000 0.908 360 S CB 0.232 63.505 63.200 0.123 0.000 0.801 360 S HN 0.400 nan 8.310 nan 0.000 0.505 361 G N 1.336 110.173 108.800 0.061 0.000 2.162 361 G HA2 -0.235 3.715 3.960 -0.018 0.000 0.260 361 G HA3 -0.235 3.715 3.960 -0.018 0.000 0.260 361 G C -0.002 174.914 174.900 0.026 0.000 0.976 361 G CA 0.406 45.526 45.100 0.033 0.000 0.655 361 G HN 0.612 nan 8.290 nan 0.000 0.533 362 I N 1.431 122.022 120.570 0.036 0.000 2.325 362 I HA 0.265 4.424 4.170 -0.018 0.000 0.291 362 I C -0.458 175.681 176.117 0.036 0.000 1.019 362 I CA -0.751 60.579 61.300 0.050 0.000 1.302 362 I CB 0.930 38.971 38.000 0.069 0.000 1.401 362 I HN -0.039 nan 8.210 nan 0.000 0.485 363 N N 6.663 125.391 118.700 0.047 0.000 2.424 363 N HA 0.301 5.030 4.740 -0.018 0.000 0.271 363 N C -1.294 174.296 175.510 0.134 0.000 0.985 363 N CA -0.407 52.666 53.050 0.038 0.000 0.921 363 N CB 1.726 40.213 38.487 -0.000 0.000 1.149 363 N HN 0.458 nan 8.380 nan 0.000 0.492 364 Y N 1.074 121.371 120.300 -0.004 0.000 2.391 364 Y HA 0.466 5.007 4.550 -0.015 0.000 0.341 364 Y C -0.934 174.977 175.900 0.019 0.000 0.965 364 Y CA -0.337 57.775 58.100 0.019 0.000 1.067 364 Y CB 1.589 40.078 38.460 0.048 0.000 1.199 364 Y HN 0.316 nan 8.280 nan 0.000 0.450 365 T N 6.871 121.251 114.554 -0.291 0.000 2.971 365 T HA 0.559 4.898 4.350 -0.018 0.000 0.304 365 T C -1.244 173.226 174.700 -0.384 0.000 1.038 365 T CA -0.972 60.989 62.100 -0.231 0.000 1.007 365 T CB 1.072 69.876 68.868 -0.107 0.000 1.055 365 T HN 0.397 nan 8.240 nan 0.000 0.451 366 R N 1.909 122.248 120.500 -0.269 0.000 2.686 366 R HA 0.540 4.869 4.340 -0.018 0.000 0.283 366 R C -0.370 175.896 176.300 -0.056 0.000 0.978 366 R CA -0.851 55.132 56.100 -0.195 0.000 0.897 366 R CB 2.110 32.302 30.300 -0.179 0.000 1.192 366 R HN 0.547 nan 8.270 nan 0.000 0.457 367 R N 1.211 121.698 120.500 -0.022 0.000 2.457 367 R HA 0.324 4.653 4.340 -0.018 0.000 0.284 367 R C 0.240 176.598 176.300 0.097 0.000 1.024 367 R CA -0.816 55.304 56.100 0.034 0.000 1.025 367 R CB 0.986 31.307 30.300 0.034 0.000 1.063 367 R HN 0.387 nan 8.270 nan 0.000 0.493 368 N N 1.042 119.837 118.700 0.157 0.000 2.476 368 N HA 0.395 5.125 4.740 -0.018 0.000 0.276 368 N C -0.816 174.897 175.510 0.339 0.000 1.204 368 N CA -0.253 52.961 53.050 0.273 0.000 0.974 368 N CB 1.086 39.791 38.487 0.363 0.000 1.204 368 N HN 0.426 nan 8.380 nan 0.000 0.543 369 R N -0.519 120.237 120.500 0.426 0.000 2.692 369 R HA 0.452 4.781 4.340 -0.018 0.000 0.269 369 R C -1.061 175.485 176.300 0.411 0.000 1.030 369 R CA -0.810 55.545 56.100 0.426 0.000 0.882 369 R CB 2.197 32.775 30.300 0.464 0.000 1.250 369 R HN 0.722 nan 8.270 nan 0.000 0.465 370 R N 0.913 121.460 120.500 0.079 0.000 2.651 370 R HA 0.517 4.846 4.340 -0.018 0.000 0.278 370 R C -1.254 174.581 176.300 -0.773 0.000 1.010 370 R CA -1.020 54.817 56.100 -0.438 0.000 0.896 370 R CB 1.667 31.299 30.300 -1.114 0.000 1.211 370 R HN 0.388 nan 8.270 nan 0.000 0.456 371 M N 2.858 121.657 119.600 -1.336 0.000 2.180 371 M HA 0.304 4.773 4.480 -0.018 0.000 0.358 371 M C -1.442 174.365 176.300 -0.822 0.000 1.233 371 M CA -0.478 53.983 55.300 -1.399 0.000 1.114 371 M CB 1.548 33.114 32.600 -1.724 0.000 1.594 371 M HN 0.533 nan 8.290 nan 0.000 0.467 372 V N 7.170 126.667 119.914 -0.694 0.000 2.495 372 V HA 0.557 4.666 4.120 -0.018 0.000 0.298 372 V C -0.520 175.398 176.094 -0.293 0.000 1.031 372 V CA -0.590 61.471 62.300 -0.399 0.000 0.871 372 V CB 1.658 33.259 31.823 -0.370 0.000 0.988 372 V HN 0.779 nan 8.190 nan 0.000 0.432 373 I N 4.622 125.087 120.570 -0.175 0.000 2.439 373 I HA 0.593 4.753 4.170 -0.018 0.000 0.283 373 I C -0.064 176.070 176.117 0.030 0.000 1.023 373 I CA 0.095 61.353 61.300 -0.070 0.000 1.100 373 I CB 1.859 39.814 38.000 -0.075 0.000 1.238 373 I HN 0.781 nan 8.210 nan 0.000 0.445 374 S N 5.792 121.518 115.700 0.043 0.000 2.618 374 S HA 0.888 5.347 4.470 -0.018 0.000 0.277 374 S C -0.893 173.796 174.600 0.148 0.000 1.138 374 S CA -0.721 57.440 58.200 -0.065 0.000 0.844 374 S CB 2.579 65.504 63.200 -0.458 0.000 1.127 374 S HN 0.517 nan 8.310 nan 0.000 0.474 375 F N -0.985 118.921 119.950 -0.073 0.000 2.678 375 F HA 0.854 5.370 4.527 -0.018 0.000 0.308 375 F C -2.319 173.566 175.800 0.141 0.000 1.118 375 F CA -1.530 56.536 58.000 0.110 0.000 0.959 375 F CB 0.843 39.968 39.000 0.208 0.000 1.305 375 F HN 0.605 nan 8.300 nan 0.000 0.443 376 F N 1.448 121.421 119.950 0.038 0.000 2.532 376 F HA 0.713 5.229 4.527 -0.018 0.000 0.321 376 F C -0.015 175.915 175.800 0.216 0.000 1.089 376 F CA -0.414 57.587 58.000 0.003 0.000 0.926 376 F CB 2.280 41.306 39.000 0.044 0.000 1.168 376 F HN 0.850 nan 8.300 nan 0.000 0.459 377 T N 1.993 116.786 114.554 0.398 0.000 2.916 377 T HA 0.641 4.980 4.350 -0.018 0.000 0.292 377 T C -1.164 173.773 174.700 0.394 0.000 1.055 377 T CA -0.345 62.053 62.100 0.497 0.000 1.009 377 T CB 1.286 70.527 68.868 0.621 0.000 1.118 377 T HN 0.566 nan 8.240 nan 0.000 0.497 378 T N 4.643 119.388 114.554 0.318 0.000 2.847 378 T HA 0.527 4.867 4.350 -0.018 0.000 0.291 378 T C -0.676 174.037 174.700 0.021 0.000 0.998 378 T CA -0.560 61.621 62.100 0.135 0.000 0.967 378 T CB 0.377 69.303 68.868 0.096 0.000 0.954 378 T HN 0.459 nan 8.240 nan 0.000 0.441 379 I N 3.600 124.124 120.570 -0.076 0.000 2.502 379 I HA 0.442 4.601 4.170 -0.018 0.000 0.276 379 I C 1.169 177.075 176.117 -0.352 0.000 1.057 379 I CA -0.140 60.993 61.300 -0.279 0.000 1.163 379 I CB 0.030 37.926 38.000 -0.173 0.000 1.288 379 I HN 0.942 nan 8.210 nan 0.000 0.479 380 G N 6.834 115.416 108.800 -0.362 0.000 2.559 380 G HA2 -0.282 3.668 3.960 -0.018 0.000 0.282 380 G HA3 -0.282 3.668 3.960 -0.018 0.000 0.282 380 G C 0.244 174.999 174.900 -0.242 0.000 1.177 380 G CA 0.339 45.295 45.100 -0.240 0.000 0.960 380 G HN 0.681 nan 8.290 nan 0.000 0.540 384 Y N 0.273 120.590 120.300 0.029 0.000 2.425 384 Y HA 0.717 5.256 4.550 -0.018 0.000 0.344 384 Y C 0.762 175.962 175.900 -1.167 0.000 0.969 384 Y CA -1.106 56.748 58.100 -0.410 0.000 1.052 384 Y CB 2.463 40.758 38.460 -0.275 0.000 1.215 384 Y HN 0.447 nan 8.280 nan 0.000 0.451 385 G N 2.205 110.152 108.800 -1.421 0.000 2.379 385 G HA2 0.606 4.555 3.960 -0.018 0.000 0.327 385 G HA3 0.606 4.555 3.960 -0.018 0.000 0.327 385 G C -1.695 172.604 174.900 -1.002 0.000 1.145 385 G CA -0.455 43.667 45.100 -1.629 0.000 0.905 385 G HN 0.364 nan 8.290 nan 0.000 0.466 386 F N 1.283 120.690 119.950 -0.904 0.000 2.427 386 F HA 0.478 4.994 4.527 -0.018 0.000 0.348 386 F C -0.777 174.615 175.800 -0.681 0.000 1.125 386 F CA -0.695 57.001 58.000 -0.508 0.000 0.989 386 F CB 1.977 40.841 39.000 -0.226 0.000 1.165 386 F HN 0.315 nan 8.300 nan 0.000 0.442 387 Y N 1.359 121.274 120.300 -0.641 0.000 2.376 387 Y HA 0.456 4.995 4.550 -0.018 0.000 0.340 387 Y C -1.086 174.109 175.900 -1.174 0.000 0.965 387 Y CA -1.517 56.120 58.100 -0.771 0.000 1.078 387 Y CB 1.438 39.384 38.460 -0.857 0.000 1.193 387 Y HN 0.517 nan 8.280 nan 0.000 0.452 388 W N 3.181 124.138 121.300 -0.573 0.000 2.632 388 W HA 0.632 5.282 4.660 -0.018 0.000 0.328 388 W C -1.459 174.608 176.519 -0.754 0.000 1.044 388 W CA -0.765 56.266 57.345 -0.524 0.000 1.225 388 W CB 1.249 30.576 29.460 -0.222 0.000 1.396 388 W HN 0.322 nan 8.180 nan 0.000 0.499 389 Y N 2.687 122.888 120.300 -0.166 0.000 2.462 389 Y HA 0.660 5.200 4.550 -0.018 0.000 0.346 389 Y C -0.352 175.227 175.900 -0.534 0.000 0.976 389 Y CA -1.573 56.230 58.100 -0.495 0.000 1.044 389 Y CB 1.265 39.311 38.460 -0.691 0.000 1.230 389 Y HN 0.058 nan 8.280 nan 0.000 0.455 390 L N 4.011 124.872 121.223 -0.604 0.000 2.349 390 L HA 0.514 4.843 4.340 -0.018 0.000 0.278 390 L C -1.261 175.413 176.870 -0.327 0.000 0.996 390 L CA -0.814 53.624 54.840 -0.670 0.000 0.825 390 L CB 1.269 42.613 42.059 -1.191 0.000 1.243 390 L HN 0.619 nan 8.230 nan 0.000 0.412 391 Y N 2.011 122.481 120.300 0.283 0.000 2.453 391 Y HA 0.298 4.838 4.550 -0.018 0.000 0.326 391 Y C 1.239 177.621 175.900 0.803 0.000 1.186 391 Y CA -0.749 57.639 58.100 0.480 0.000 1.200 391 Y CB 1.403 40.027 38.460 0.272 0.000 1.247 391 Y HN 0.444 nan 8.280 nan 0.000 0.482 392 L N 0.814 122.484 121.223 0.745 0.000 2.081 392 L HA -0.228 4.101 4.340 -0.018 0.000 0.212 392 L C 1.752 178.862 176.870 0.399 0.000 1.080 392 L CA 1.806 56.923 54.840 0.462 0.000 0.754 392 L CB -0.306 41.905 42.059 0.253 0.000 0.893 392 L HN 0.787 nan 8.230 nan 0.000 0.433 393 D N -0.612 120.007 120.400 0.366 0.000 2.349 393 D HA -0.019 4.610 4.640 -0.018 0.000 0.224 393 D C 1.396 177.785 176.300 0.148 0.000 1.029 393 D CA 0.932 55.035 54.000 0.172 0.000 0.879 393 D CB 0.358 41.235 40.800 0.128 0.000 0.906 393 D HN 0.348 nan 8.370 nan 0.000 0.528 394 G N -0.488 108.569 108.800 0.429 0.000 2.179 394 G HA2 -0.228 3.722 3.960 -0.018 0.000 0.220 394 G HA3 -0.228 3.722 3.960 -0.018 0.000 0.220 394 G C 0.337 175.715 174.900 0.798 0.000 0.990 394 G CA 0.162 45.549 45.100 0.480 0.000 0.646 394 G HN 0.436 nan 8.290 nan 0.000 0.517 395 T N 1.254 116.209 114.554 0.668 0.000 2.884 395 T HA 0.581 4.920 4.350 -0.018 0.000 0.298 395 T C 0.507 175.585 174.700 0.630 0.000 0.998 395 T CA 0.407 62.837 62.100 0.550 0.000 1.124 395 T CB 1.204 70.220 68.868 0.246 0.000 0.931 395 T HN 0.330 nan 8.240 nan 0.000 0.531 396 I N 2.691 123.549 120.570 0.480 0.000 2.433 396 I HA 0.495 4.655 4.170 -0.018 0.000 0.292 396 I C 0.113 176.387 176.117 0.262 0.000 1.001 396 I CA -0.607 60.868 61.300 0.291 0.000 1.119 396 I CB 1.869 40.003 38.000 0.223 0.000 1.289 396 I HN 0.580 nan 8.210 nan 0.000 0.438 397 E N 5.466 125.785 120.200 0.198 0.000 2.356 397 E HA 0.471 4.810 4.350 -0.018 0.000 0.275 397 E C -2.014 174.433 176.600 -0.254 0.000 0.904 397 E CA -0.661 55.752 56.400 0.023 0.000 0.757 397 E CB 2.714 32.563 29.700 0.249 0.000 1.232 397 E HN 0.417 nan 8.360 nan 0.000 0.442 398 F N 2.458 121.866 119.950 -0.903 0.000 2.532 398 F HA 0.512 5.028 4.527 -0.018 0.000 0.321 398 F C -1.104 174.188 175.800 -0.847 0.000 1.089 398 F CA -0.534 56.719 58.000 -1.245 0.000 0.926 398 F CB 1.749 39.646 39.000 -1.838 0.000 1.168 398 F HN 0.486 nan 8.300 nan 0.000 0.459 399 E N 4.260 123.326 120.200 -1.891 0.000 2.263 399 E HA 0.677 5.017 4.350 -0.018 0.000 0.268 399 E C -1.841 173.938 176.600 -1.368 0.000 0.884 399 E CA -0.939 54.737 56.400 -1.206 0.000 0.766 399 E CB 1.704 31.121 29.700 -0.472 0.000 1.196 399 E HN 0.860 nan 8.360 nan 0.000 0.416 400 A N 4.521 126.762 122.820 -0.966 0.000 2.305 400 A HA 0.545 4.854 4.320 -0.018 0.000 0.322 400 A C -0.737 176.597 177.584 -0.417 0.000 1.187 400 A CA -0.651 50.938 52.037 -0.747 0.000 0.825 400 A CB 0.772 19.189 19.000 -0.973 0.000 1.164 400 A HN 0.553 nan 8.150 nan 0.000 0.498 401 K N 1.725 121.937 120.400 -0.313 0.000 2.425 401 K HA 0.547 4.857 4.320 -0.018 0.000 0.259 401 K C -0.687 175.885 176.600 -0.046 0.000 0.978 401 K CA -0.302 55.908 56.287 -0.128 0.000 0.883 401 K CB 2.086 34.575 32.500 -0.018 0.000 1.110 401 K HN 0.727 nan 8.250 nan 0.000 0.436 402 A N 2.661 125.504 122.820 0.038 0.000 2.252 402 A HA 0.473 4.783 4.320 -0.018 0.000 0.309 402 A C -0.006 177.600 177.584 0.037 0.000 1.285 402 A CA -0.169 51.915 52.037 0.078 0.000 0.900 402 A CB 1.046 20.067 19.000 0.035 0.000 1.157 402 A HN 0.680 nan 8.150 nan 0.000 0.536 403 T N 1.152 115.703 114.554 -0.005 0.000 2.565 403 T HA 0.822 5.162 4.350 -0.018 0.000 0.266 403 T C 0.527 175.161 174.700 -0.111 0.000 0.905 403 T CA 1.053 63.140 62.100 -0.021 0.000 1.122 403 T CB 0.707 69.592 68.868 0.029 0.000 1.437 403 T HN 2.572 nan 8.240 nan 0.000 0.506 404 G N -0.102 108.612 108.800 -0.143 0.000 2.445 404 G HA2 -0.011 3.938 3.960 -0.018 0.000 0.212 404 G HA3 -0.011 3.938 3.960 -0.018 0.000 0.212 404 G C -1.100 173.667 174.900 -0.220 0.000 1.217 404 G CA -0.206 44.773 45.100 -0.202 0.000 1.002 404 G HN 1.298 nan 8.290 nan 0.000 0.574 405 V N 0.611 120.357 119.914 -0.279 0.000 2.555 405 V HA 0.593 4.702 4.120 -0.018 0.000 0.302 405 V C 0.963 176.952 176.094 -0.176 0.000 1.038 405 V CA -0.604 61.546 62.300 -0.250 0.000 0.887 405 V CB 1.522 33.112 31.823 -0.389 0.000 0.991 405 V HN 0.984 nan 8.190 nan 0.000 0.434 406 V N 3.809 123.767 119.914 0.075 0.000 2.872 406 V HA 0.083 4.192 4.120 -0.018 0.000 0.307 406 V C -0.018 176.157 176.094 0.135 0.000 1.072 406 V CA 0.033 62.444 62.300 0.185 0.000 1.148 406 V CB 0.309 32.326 31.823 0.323 0.000 0.954 406 V HN 0.674 nan 8.190 nan 0.000 0.490 407 F N 4.469 124.450 119.950 0.053 0.000 2.445 407 F HA 0.401 4.917 4.527 -0.018 0.000 0.359 407 F C 0.941 176.860 175.800 0.200 0.000 1.101 407 F CA -0.211 57.833 58.000 0.073 0.000 1.177 407 F CB 0.714 39.736 39.000 0.036 0.000 1.110 407 F HN 0.733 nan 8.300 nan 0.000 0.522 408 T N 1.808 116.366 114.554 0.007 0.000 2.912 408 T HA 0.785 5.125 4.350 -0.018 0.000 0.280 408 T C -0.075 174.698 174.700 0.123 0.000 0.989 408 T CA -0.281 61.886 62.100 0.111 0.000 0.995 408 T CB 1.629 70.543 68.868 0.076 0.000 1.077 408 T HN 0.693 nan 8.240 nan 0.000 0.531 409 S N -0.380 115.346 115.700 0.044 0.000 2.752 409 S HA 0.782 5.241 4.470 -0.018 0.000 0.284 409 S C -0.647 173.900 174.600 -0.087 0.000 1.189 409 S CA -0.801 57.371 58.200 -0.047 0.000 0.835 409 S CB 0.824 64.004 63.200 -0.034 0.000 1.192 409 S HN 1.381 nan 8.310 nan 0.000 0.506 410 A N 0.423 123.130 122.820 -0.189 0.000 2.302 410 A HA 0.714 5.024 4.320 -0.018 0.000 0.285 410 A C -0.849 176.725 177.584 -0.017 0.000 1.105 410 A CA -0.461 51.509 52.037 -0.112 0.000 0.816 410 A CB -0.049 18.832 19.000 -0.198 0.000 1.067 410 A HN 0.957 nan 8.150 nan 0.000 0.489 411 F N 2.701 122.620 119.950 -0.051 0.000 2.391 411 F HA 0.510 5.026 4.527 -0.018 0.000 0.359 411 F C -2.099 173.726 175.800 0.041 0.000 1.122 411 F CA -2.514 55.471 58.000 -0.025 0.000 1.120 411 F CB 0.804 39.789 39.000 -0.025 0.000 1.142 411 F HN 0.315 nan 8.300 nan 0.000 0.483 412 P HA -0.047 nan 4.420 nan 0.000 0.266 412 P C 0.487 177.610 177.300 -0.294 0.000 1.193 412 P CA 0.334 63.262 63.100 -0.287 0.000 0.770 412 P CB 0.712 32.219 31.700 -0.322 0.000 0.836 413 E N 2.701 122.850 120.200 -0.085 0.000 2.035 413 E HA -0.161 4.178 4.350 -0.018 0.000 0.204 413 E C 1.489 178.063 176.600 -0.044 0.000 1.025 413 E CA 2.181 58.562 56.400 -0.032 0.000 0.835 413 E CB -1.023 28.660 29.700 -0.028 0.000 0.764 413 E HN 0.577 nan 8.360 nan 0.000 0.457 414 G N -0.621 108.137 108.800 -0.069 0.000 3.574 414 G HA2 0.455 4.404 3.960 -0.018 0.000 0.262 414 G HA3 0.455 4.404 3.960 -0.018 0.000 0.262 414 G C 0.336 175.190 174.900 -0.077 0.000 1.231 414 G CA 0.130 45.204 45.100 -0.044 0.000 1.608 414 G HN 0.592 nan 8.290 nan 0.000 0.628 415 G N -0.456 108.252 108.800 -0.154 0.000 2.877 415 G HA2 0.134 4.084 3.960 -0.018 0.000 0.279 415 G HA3 0.134 4.084 3.960 -0.018 0.000 0.279 415 G C -0.160 174.547 174.900 -0.323 0.000 1.431 415 G CA 0.003 44.988 45.100 -0.192 0.000 0.883 415 G HN 1.402 nan 8.290 nan 0.000 0.547 416 S N -1.109 114.486 115.700 -0.177 0.000 2.543 416 S HA 0.564 5.024 4.470 -0.018 0.000 0.271 416 S C 0.037 174.632 174.600 -0.009 0.000 1.148 416 S CA 0.238 58.350 58.200 -0.146 0.000 0.914 416 S CB 1.699 64.733 63.200 -0.278 0.000 1.096 416 S HN 0.567 nan 8.310 nan 0.000 0.471 417 D N 2.780 123.169 120.400 -0.018 0.000 2.349 417 D HA 0.156 4.786 4.640 -0.018 0.000 0.224 417 D C 0.428 176.736 176.300 0.014 0.000 1.029 417 D CA 0.637 54.674 54.000 0.061 0.000 0.879 417 D CB 0.027 40.867 40.800 0.065 0.000 0.906 417 D HN 0.614 nan 8.370 nan 0.000 0.528 418 N N -0.764 117.765 118.700 -0.285 0.000 2.143 418 N HA 0.271 5.001 4.740 -0.018 0.000 0.229 418 N C -0.409 174.357 175.510 -1.241 0.000 1.294 418 N CA -0.036 52.621 53.050 -0.656 0.000 0.883 418 N CB 1.710 40.068 38.487 -0.215 0.000 1.148 418 N HN -0.012 nan 8.380 nan 0.000 0.511 419 I N 0.219 120.241 120.570 -0.912 0.000 2.827 419 I HA 0.365 4.524 4.170 -0.018 0.000 0.298 419 I C -0.785 175.360 176.117 0.046 0.000 1.235 419 I CA -0.958 60.092 61.300 -0.416 0.000 1.021 419 I CB 2.253 40.211 38.000 -0.071 0.000 1.259 419 I HN -0.055 nan 8.210 nan 0.000 0.427 420 S N 3.364 119.222 115.700 0.264 0.000 2.607 420 S HA 0.556 5.015 4.470 -0.018 0.000 0.303 420 S C -0.828 173.737 174.600 -0.058 0.000 1.086 420 S CA -0.835 57.526 58.200 0.269 0.000 0.995 420 S CB 2.149 65.588 63.200 0.398 0.000 1.084 420 S HN 0.660 nan 8.310 nan 0.000 0.507 421 Q N 0.554 120.027 119.800 -0.545 0.000 2.256 421 Q HA 0.480 4.809 4.340 -0.018 0.000 0.254 421 Q C -0.151 175.658 176.000 -0.319 0.000 0.916 421 Q CA -0.527 54.840 55.803 -0.727 0.000 0.932 421 Q CB 0.831 28.805 28.738 -1.274 0.000 1.207 421 Q HN 0.849 nan 8.270 nan 0.000 0.426 422 L N 1.764 122.821 121.223 -0.277 0.000 2.537 422 L HA 0.540 4.869 4.340 -0.018 0.000 0.224 422 L C 0.384 177.123 176.870 -0.218 0.000 1.065 422 L CA 0.059 54.772 54.840 -0.213 0.000 0.860 422 L CB 0.561 42.409 42.059 -0.353 0.000 1.086 422 L HN 0.616 nan 8.230 nan 0.000 0.482 423 A N -0.854 121.797 122.820 -0.281 0.000 2.581 423 A HA 0.667 4.976 4.320 -0.018 0.000 0.290 423 A C -2.766 174.739 177.584 -0.131 0.000 1.119 423 A CA -1.011 50.925 52.037 -0.167 0.000 0.670 423 A CB 0.408 19.285 19.000 -0.205 0.000 1.280 423 A HN -0.225 nan 8.150 nan 0.000 0.425 424 P HA 0.336 nan 4.420 nan 0.000 0.265 424 P C 0.952 178.256 177.300 0.006 0.000 1.222 424 P CA 2.091 65.183 63.100 -0.012 0.000 0.767 424 P CB 0.530 32.240 31.700 0.017 0.000 0.801 425 G N 2.394 111.225 108.800 0.051 0.000 2.245 425 G HA2 -0.277 3.673 3.960 -0.018 0.000 0.264 425 G HA3 -0.277 3.673 3.960 -0.018 0.000 0.264 425 G C -0.137 174.805 174.900 0.070 0.000 0.985 425 G CA -0.176 44.983 45.100 0.097 0.000 0.625 425 G HN 0.558 nan 8.290 nan 0.000 0.536 426 L N 2.030 123.228 121.223 -0.041 0.000 2.276 426 L HA 0.757 5.086 4.340 -0.018 0.000 0.286 426 L C 0.766 177.576 176.870 -0.099 0.000 1.061 426 L CA 0.227 54.979 54.840 -0.147 0.000 0.807 426 L CB 1.026 42.849 42.059 -0.394 0.000 1.177 426 L HN 0.433 nan 8.230 nan 0.000 0.429 427 G N 3.339 112.137 108.800 -0.004 0.000 2.511 427 G HA2 0.786 4.735 3.960 -0.018 0.000 0.318 427 G HA3 0.786 4.735 3.960 -0.018 0.000 0.318 427 G C -1.686 173.255 174.900 0.068 0.000 1.210 427 G CA -0.319 44.852 45.100 0.118 0.000 0.969 427 G HN 0.937 nan 8.290 nan 0.000 0.484 428 A N 1.307 124.219 122.820 0.153 0.000 2.569 428 A HA 0.756 5.065 4.320 -0.018 0.000 0.282 428 A C -2.880 174.885 177.584 0.303 0.000 1.165 428 A CA -1.287 50.892 52.037 0.238 0.000 0.747 428 A CB 1.639 20.793 19.000 0.257 0.000 1.215 428 A HN 0.406 nan 8.150 nan 0.000 0.431 429 P HA 0.264 nan 4.420 nan 0.000 0.269 429 P C -0.376 177.229 177.300 0.510 0.000 1.209 429 P CA 0.068 63.327 63.100 0.265 0.000 0.776 429 P CB 0.224 32.104 31.700 0.300 0.000 0.876 430 F N 2.881 122.968 119.950 0.228 0.000 2.496 430 F HA 0.241 4.757 4.527 -0.018 0.000 0.344 430 F C 1.623 177.372 175.800 -0.084 0.000 1.155 430 F CA 0.473 58.491 58.000 0.030 0.000 1.302 430 F CB -0.420 38.567 39.000 -0.021 0.000 1.159 430 F HN 0.505 nan 8.300 nan 0.000 0.595 431 H N -0.523 118.403 119.070 -0.239 0.000 2.902 431 H HA 0.517 5.063 4.556 -0.018 0.000 0.297 431 H C -1.823 173.198 175.328 -0.510 0.000 1.406 431 H CA -1.113 54.571 56.048 -0.608 0.000 1.134 431 H CB 1.454 30.451 29.762 -1.275 0.000 1.833 431 H HN 0.581 nan 8.280 nan 0.000 0.527 432 Q N 0.027 119.528 119.800 -0.498 0.000 2.495 432 Q HA 0.390 4.719 4.340 -0.018 0.000 0.287 432 Q C -1.166 174.550 176.000 -0.475 0.000 1.078 432 Q CA -0.926 54.613 55.803 -0.441 0.000 0.793 432 Q CB 3.113 31.647 28.738 -0.340 0.000 1.459 432 Q HN 0.554 nan 8.270 nan 0.000 0.422 433 H N 1.302 120.182 119.070 -0.316 0.000 2.887 433 H HA 0.431 4.976 4.556 -0.018 0.000 0.300 433 H C -0.903 174.178 175.328 -0.412 0.000 1.038 433 H CA -0.220 55.620 56.048 -0.348 0.000 1.352 433 H CB 0.758 30.393 29.762 -0.211 0.000 1.473 433 H HN 0.433 nan 8.280 nan 0.000 0.503 434 I N 3.694 124.005 120.570 -0.432 0.000 2.404 434 I HA 0.266 4.425 4.170 -0.018 0.000 0.293 434 I C -0.530 175.278 176.117 -0.515 0.000 0.992 434 I CA -0.615 60.474 61.300 -0.351 0.000 1.149 434 I CB 1.076 38.904 38.000 -0.286 0.000 1.315 434 I HN 0.201 nan 8.210 nan 0.000 0.446 435 F N 2.838 122.543 119.950 -0.408 0.000 2.541 435 F HA 0.562 5.078 4.527 -0.018 0.000 0.331 435 F C 0.469 176.096 175.800 -0.289 0.000 1.057 435 F CA -0.939 56.796 58.000 -0.441 0.000 0.975 435 F CB 1.811 40.265 39.000 -0.910 0.000 1.246 435 F HN 0.245 nan 8.300 nan 0.000 0.484 436 S N 1.002 116.761 115.700 0.099 0.000 2.756 436 S HA 0.776 5.235 4.470 -0.018 0.000 0.303 436 S C -0.991 173.721 174.600 0.187 0.000 1.135 436 S CA -0.502 57.788 58.200 0.151 0.000 1.066 436 S CB 0.459 63.618 63.200 -0.069 0.000 1.008 436 S HN 0.853 nan 8.310 nan 0.000 0.482 437 A N 4.805 127.786 122.820 0.268 0.000 2.274 437 A HA 0.651 4.960 4.320 -0.018 0.000 0.309 437 A C 0.129 177.749 177.584 0.061 0.000 1.226 437 A CA -0.668 51.493 52.037 0.206 0.000 0.853 437 A CB 0.459 19.566 19.000 0.178 0.000 1.146 437 A HN 0.833 nan 8.150 nan 0.000 0.518 438 R N 3.370 123.836 120.500 -0.056 0.000 2.229 438 R HA 0.558 4.888 4.340 -0.018 0.000 0.332 438 R C -1.652 174.460 176.300 -0.314 0.000 0.989 438 R CA -0.375 55.486 56.100 -0.399 0.000 0.842 438 R CB 0.397 30.324 30.300 -0.621 0.000 1.119 438 R HN 0.723 nan 8.270 nan 0.000 0.456 439 L N 4.307 125.333 121.223 -0.329 0.000 2.318 439 L HA 0.276 4.605 4.340 -0.018 0.000 0.277 439 L C -0.523 176.220 176.870 -0.212 0.000 1.008 439 L CA -0.882 53.842 54.840 -0.193 0.000 0.846 439 L CB 1.644 43.656 42.059 -0.077 0.000 1.220 439 L HN 0.517 nan 8.230 nan 0.000 0.423 440 D N 5.014 125.307 120.400 -0.178 0.000 2.422 440 D HA 0.190 4.820 4.640 -0.018 0.000 0.227 440 D C 0.108 176.388 176.300 -0.033 0.000 1.190 440 D CA -0.314 53.633 54.000 -0.087 0.000 0.905 440 D CB 0.598 41.370 40.800 -0.048 0.000 1.034 440 D HN 0.156 nan 8.370 nan 0.000 0.507 441 M N 2.240 121.832 119.600 -0.013 0.000 2.245 441 M HA 0.319 4.789 4.480 -0.018 0.000 0.344 441 M C 0.392 176.695 176.300 0.004 0.000 1.170 441 M CA -0.338 54.953 55.300 -0.014 0.000 1.135 441 M CB 0.697 33.302 32.600 0.009 0.000 1.574 441 M HN 0.460 nan 8.290 nan 0.000 0.452 442 A N 4.274 127.030 122.820 -0.107 0.000 3.292 442 A HA 0.393 4.702 4.320 -0.018 0.000 0.231 442 A C -0.275 177.207 177.584 -0.170 0.000 0.952 442 A CA -0.551 51.331 52.037 -0.258 0.000 1.044 442 A CB 0.110 18.785 19.000 -0.542 0.000 1.236 442 A HN 0.623 nan 8.150 nan 0.000 0.525 443 I N 1.652 122.187 120.570 -0.057 0.000 2.691 443 I HA 0.029 4.188 4.170 -0.018 0.000 0.288 443 I C 0.415 176.596 176.117 0.108 0.000 1.143 443 I CA 0.889 62.224 61.300 0.060 0.000 1.364 443 I CB -1.104 36.973 38.000 0.128 0.000 1.435 443 I HN 0.495 nan 8.210 nan 0.000 0.551 444 D N 4.979 125.473 120.400 0.157 0.000 2.837 444 D HA -0.155 4.474 4.640 -0.018 0.000 0.230 444 D C 0.640 176.907 176.300 -0.056 0.000 1.152 444 D CA 1.663 55.692 54.000 0.048 0.000 0.736 444 D CB -0.725 40.062 40.800 -0.022 0.000 1.084 444 D HN 1.123 nan 8.370 nan 0.000 0.429 445 G N -2.197 106.510 108.800 -0.155 0.000 2.353 445 G HA2 -0.080 3.870 3.960 -0.018 0.000 0.615 445 G HA3 -0.080 3.870 3.960 -0.018 0.000 0.615 445 G C 0.253 174.971 174.900 -0.304 0.000 1.280 445 G CA -0.369 44.567 45.100 -0.272 0.000 1.000 445 G HN 0.041 nan 8.290 nan 0.000 0.516 446 F N 0.767 120.708 119.950 -0.014 0.000 2.710 446 F HA 0.208 4.725 4.527 -0.017 0.000 0.298 446 F C 2.307 178.105 175.800 -0.003 0.000 1.137 446 F CA 1.237 59.221 58.000 -0.025 0.000 1.444 446 F CB 0.212 39.181 39.000 -0.052 0.000 1.111 446 F HN 0.286 nan 8.300 nan 0.000 0.580 447 T N 2.482 117.122 114.554 0.143 0.000 3.185 447 T HA 0.138 4.478 4.350 -0.018 0.000 0.287 447 T C -0.009 174.741 174.700 0.084 0.000 1.051 447 T CA -0.155 62.007 62.100 0.104 0.000 1.051 447 T CB -0.619 68.292 68.868 0.072 0.000 1.034 447 T HN -0.019 nan 8.240 nan 0.000 0.685 448 N N 2.382 121.141 118.700 0.097 0.000 2.457 448 N HA 0.679 5.408 4.740 -0.018 0.000 0.290 448 N C -0.212 175.350 175.510 0.086 0.000 1.232 448 N CA -0.932 52.170 53.050 0.087 0.000 0.852 448 N CB 1.676 40.216 38.487 0.087 0.000 1.313 448 N HN 0.447 nan 8.380 nan 0.000 0.522 449 R N -0.367 120.185 120.500 0.086 0.000 2.710 449 R HA 0.629 4.958 4.340 -0.018 0.000 0.270 449 R C -2.069 174.289 176.300 0.097 0.000 1.021 449 R CA -0.577 55.575 56.100 0.086 0.000 0.889 449 R CB 1.166 31.511 30.300 0.075 0.000 1.243 449 R HN 0.289 nan 8.270 nan 0.000 0.464 450 V N 2.185 122.163 119.914 0.105 0.000 2.588 450 V HA 0.447 4.557 4.120 -0.018 0.000 0.304 450 V C -0.828 175.349 176.094 0.139 0.000 1.042 450 V CA -0.692 61.687 62.300 0.130 0.000 0.877 450 V CB 1.915 33.821 31.823 0.137 0.000 0.996 450 V HN 0.779 nan 8.190 nan 0.000 0.425 451 E N 2.445 122.735 120.200 0.151 0.000 2.222 451 E HA 0.435 4.774 4.350 -0.018 0.000 0.267 451 E C -0.956 175.739 176.600 0.160 0.000 0.884 451 E CA -0.671 55.806 56.400 0.129 0.000 0.764 451 E CB 2.875 32.622 29.700 0.078 0.000 1.169 451 E HN 0.734 nan 8.360 nan 0.000 0.413 452 E N 2.747 123.031 120.200 0.140 0.000 2.167 452 E HA 0.070 4.409 4.350 -0.018 0.000 0.284 452 E C -0.979 175.561 176.600 -0.100 0.000 1.016 452 E CA -0.276 56.139 56.400 0.026 0.000 0.817 452 E CB 0.900 30.678 29.700 0.129 0.000 1.080 452 E HN 0.400 nan 8.360 nan 0.000 0.397 453 E N 4.389 124.459 120.200 -0.217 0.000 2.113 453 E HA 0.159 4.498 4.350 -0.018 0.000 0.273 453 E C -1.229 175.259 176.600 -0.186 0.000 0.924 453 E CA -0.787 55.521 56.400 -0.153 0.000 0.764 453 E CB 0.860 30.489 29.700 -0.117 0.000 1.104 453 E HN 0.429 nan 8.360 nan 0.000 0.406 454 D N 2.694 123.026 120.400 -0.112 0.000 2.248 454 D HA 0.238 4.867 4.640 -0.018 0.000 0.246 454 D C -0.410 175.864 176.300 -0.043 0.000 1.027 454 D CA -0.545 53.398 54.000 -0.095 0.000 0.853 454 D CB 2.095 42.854 40.800 -0.069 0.000 1.243 454 D HN 0.159 nan 8.370 nan 0.000 0.462 455 V N 1.572 121.464 119.914 -0.037 0.000 2.843 455 V HA 0.172 4.282 4.120 -0.018 0.000 0.305 455 V C 0.181 176.285 176.094 0.016 0.000 1.065 455 V CA -0.139 62.164 62.300 0.005 0.000 1.116 455 V CB 1.392 33.191 31.823 -0.039 0.000 0.968 455 V HN 0.263 nan 8.190 nan 0.000 0.487 456 V N 5.945 125.899 119.914 0.067 0.000 2.444 456 V HA 0.453 4.562 4.120 -0.018 0.000 0.294 456 V C 0.113 176.262 176.094 0.092 0.000 1.022 456 V CA -0.825 61.511 62.300 0.059 0.000 0.850 456 V CB 1.617 33.472 31.823 0.053 0.000 0.992 456 V HN 0.800 nan 8.190 nan 0.000 0.426 457 R N 3.442 123.974 120.500 0.053 0.000 2.410 457 R HA 0.560 4.889 4.340 -0.018 0.000 0.288 457 R C -0.541 175.795 176.300 0.060 0.000 1.051 457 R CA -0.466 55.671 56.100 0.062 0.000 1.021 457 R CB 1.274 31.586 30.300 0.019 0.000 1.032 457 R HN 0.677 nan 8.270 nan 0.000 0.481 458 Q N 0.639 120.483 119.800 0.074 0.000 2.345 458 Q HA 0.288 4.617 4.340 -0.018 0.000 0.268 458 Q C -0.705 175.318 176.000 0.039 0.000 1.054 458 Q CA -0.677 55.157 55.803 0.051 0.000 0.835 458 Q CB 2.530 31.299 28.738 0.052 0.000 1.339 458 Q HN 0.464 nan 8.270 nan 0.000 0.447 459 T N 2.145 116.715 114.554 0.026 0.000 2.897 459 T HA 0.246 4.586 4.350 -0.018 0.000 0.294 459 T C 0.034 174.745 174.700 0.019 0.000 1.004 459 T CA -0.374 61.738 62.100 0.020 0.000 1.106 459 T CB 0.471 69.348 68.868 0.015 0.000 0.949 459 T HN 0.483 nan 8.240 nan 0.000 0.520 460 M N 3.102 122.713 119.600 0.017 0.000 2.219 460 M HA 0.460 4.929 4.480 -0.018 0.000 0.353 460 M C 0.484 176.790 176.300 0.011 0.000 1.304 460 M CA 0.868 56.177 55.300 0.015 0.000 1.115 460 M CB -0.447 32.161 32.600 0.014 0.000 1.664 460 M HN 0.909 nan 8.290 nan 0.000 0.459 461 G N 4.300 113.106 108.800 0.009 0.000 2.398 461 G HA2 0.156 4.106 3.960 -0.018 0.000 0.251 461 G HA3 0.156 4.106 3.960 -0.018 0.000 0.251 461 G C -3.348 171.554 174.900 0.005 0.000 1.277 461 G CA -1.146 43.958 45.100 0.006 0.000 0.927 461 G HN 0.431 nan 8.290 nan 0.000 0.477 462 P HA 0.303 nan 4.420 nan 0.000 0.258 462 P C 0.988 178.289 177.300 0.001 0.000 1.172 462 P CA 2.447 65.548 63.100 0.002 0.000 0.762 462 P CB 0.498 32.199 31.700 0.002 0.000 0.764 463 G N 3.018 111.817 108.800 -0.001 0.000 2.225 463 G HA2 -0.269 3.681 3.960 -0.018 0.000 0.254 463 G HA3 -0.269 3.681 3.960 -0.018 0.000 0.254 463 G C 0.494 175.392 174.900 -0.004 0.000 0.988 463 G CA 0.249 45.347 45.100 -0.003 0.000 0.625 463 G HN 0.646 nan 8.290 nan 0.000 0.527 464 N N 0.261 118.961 118.700 0.000 0.000 2.651 464 N HA 0.389 5.118 4.740 -0.018 0.000 0.277 464 N C 0.927 176.440 175.510 0.006 0.000 1.787 464 N CA 0.337 53.389 53.050 0.003 0.000 0.818 464 N CB 0.523 39.014 38.487 0.008 0.000 1.316 464 N HN 0.189 nan 8.380 nan 0.000 0.503 465 E N 0.087 120.290 120.200 0.003 0.000 2.153 465 E HA -0.021 4.318 4.350 -0.018 0.000 0.194 465 E C 1.069 177.673 176.600 0.007 0.000 0.988 465 E CA 1.220 57.623 56.400 0.004 0.000 0.811 465 E CB 0.135 29.836 29.700 0.002 0.000 0.746 465 E HN 0.392 nan 8.360 nan 0.000 0.466 466 R N -0.459 120.045 120.500 0.008 0.000 2.317 466 R HA 0.163 4.492 4.340 -0.018 0.000 0.208 466 R C 0.608 176.918 176.300 0.017 0.000 0.914 466 R CA 0.450 56.556 56.100 0.011 0.000 1.060 466 R CB 0.345 30.651 30.300 0.010 0.000 1.015 466 R HN 0.199 nan 8.270 nan 0.000 0.498 467 G N 2.505 111.316 108.800 0.019 0.000 2.366 467 G HA2 -0.340 3.609 3.960 -0.018 0.000 0.299 467 G HA3 -0.340 3.609 3.960 -0.018 0.000 0.299 467 G C 0.183 175.108 174.900 0.042 0.000 1.020 467 G CA 1.002 46.119 45.100 0.027 0.000 1.026 467 G HN 0.710 nan 8.290 nan 0.000 0.512 468 N N -1.254 117.473 118.700 0.045 0.000 2.257 468 N HA 0.510 5.239 4.740 -0.018 0.000 0.200 468 N C 1.188 176.757 175.510 0.098 0.000 1.163 468 N CA 0.501 53.593 53.050 0.070 0.000 0.891 468 N CB 0.463 38.977 38.487 0.046 0.000 1.067 468 N HN 0.801 nan 8.380 nan 0.000 0.497 469 A N 0.816 123.666 122.820 0.051 0.000 2.462 469 A HA 0.453 4.763 4.320 -0.018 0.000 0.243 469 A C -0.628 177.030 177.584 0.122 0.000 1.076 469 A CA -0.202 51.841 52.037 0.010 0.000 0.773 469 A CB -0.301 18.688 19.000 -0.018 0.000 1.010 469 A HN 0.493 nan 8.150 nan 0.000 0.493 470 F N 0.576 120.522 119.950 -0.006 0.000 2.608 470 F HA 0.769 5.287 4.527 -0.016 0.000 0.309 470 F C -0.289 175.506 175.800 -0.009 0.000 1.103 470 F CA -0.589 57.407 58.000 -0.008 0.000 0.954 470 F CB 0.969 39.964 39.000 -0.009 0.000 1.267 470 F HN 0.543 nan 8.300 nan 0.000 0.444 471 S N 1.956 117.773 115.700 0.196 0.000 2.855 471 S HA 0.842 5.301 4.470 -0.018 0.000 0.308 471 S C -1.156 173.531 174.600 0.144 0.000 1.077 471 S CA -0.873 57.379 58.200 0.086 0.000 0.896 471 S CB 1.358 64.576 63.200 0.030 0.000 1.339 471 S HN 1.070 nan 8.310 nan 0.000 0.602 472 R N 0.630 121.172 120.500 0.069 0.000 2.740 472 R HA 0.642 4.971 4.340 -0.018 0.000 0.273 472 R C -1.891 174.422 176.300 0.023 0.000 0.998 472 R CA -0.913 55.218 56.100 0.051 0.000 0.900 472 R CB 1.358 31.684 30.300 0.044 0.000 1.223 472 R HN 0.682 nan 8.270 nan 0.000 0.466 473 K N 1.977 122.382 120.400 0.008 0.000 2.464 473 K HA 0.549 4.858 4.320 -0.018 0.000 0.253 473 K C -1.207 175.390 176.600 -0.006 0.000 0.933 473 K CA -1.064 55.225 56.287 0.003 0.000 0.801 473 K CB 2.675 35.178 32.500 0.005 0.000 1.271 473 K HN 0.622 nan 8.250 nan 0.000 0.430 474 R N 1.429 121.930 120.500 0.002 0.000 2.480 474 R HA 0.366 4.696 4.340 -0.018 0.000 0.306 474 R C -1.112 175.200 176.300 0.020 0.000 0.958 474 R CA -0.848 55.255 56.100 0.006 0.000 0.861 474 R CB 2.487 32.794 30.300 0.012 0.000 1.171 474 R HN 0.668 nan 8.270 nan 0.000 0.445 475 T N 2.423 116.995 114.554 0.029 0.000 2.770 475 T HA 0.246 4.586 4.350 -0.018 0.000 0.283 475 T C 0.006 174.745 174.700 0.064 0.000 0.988 475 T CA -0.601 61.525 62.100 0.043 0.000 0.957 475 T CB 1.592 70.487 68.868 0.044 0.000 0.930 475 T HN 0.126 nan 8.240 nan 0.000 0.443 476 V N 5.011 124.961 119.914 0.059 0.000 2.614 476 V HA 0.256 4.365 4.120 -0.018 0.000 0.291 476 V C 0.262 176.400 176.094 0.074 0.000 1.049 476 V CA -0.561 61.780 62.300 0.069 0.000 1.038 476 V CB 0.646 32.503 31.823 0.057 0.000 0.980 476 V HN 0.708 nan 8.190 nan 0.000 0.481 477 L N 5.323 126.599 121.223 0.089 0.000 2.255 477 L HA 0.302 4.631 4.340 -0.018 0.000 0.289 477 L C 1.436 178.351 176.870 0.075 0.000 1.046 477 L CA -0.200 54.690 54.840 0.084 0.000 0.816 477 L CB 1.037 43.155 42.059 0.100 0.000 1.197 477 L HN 0.902 nan 8.230 nan 0.000 0.427 478 T N -0.714 113.877 114.554 0.063 0.000 2.976 478 T HA 0.170 4.509 4.350 -0.018 0.000 0.257 478 T C 0.964 175.700 174.700 0.059 0.000 1.051 478 T CA 0.101 62.236 62.100 0.058 0.000 1.141 478 T CB 0.301 69.197 68.868 0.047 0.000 0.881 478 T HN 0.308 nan 8.240 nan 0.000 0.461 479 R N 0.827 121.362 120.500 0.058 0.000 2.854 479 R HA 0.498 4.827 4.340 -0.018 0.000 0.271 479 R C 0.759 177.100 176.300 0.069 0.000 0.994 479 R CA -0.721 55.414 56.100 0.060 0.000 0.945 479 R CB 1.167 31.497 30.300 0.048 0.000 1.194 479 R HN 0.246 nan 8.270 nan 0.000 0.476 480 E N 0.393 120.640 120.200 0.080 0.000 2.209 480 E HA -0.130 4.209 4.350 -0.018 0.000 0.196 480 E C 1.081 177.729 176.600 0.080 0.000 0.993 480 E CA 1.345 57.805 56.400 0.099 0.000 0.819 480 E CB 0.138 29.907 29.700 0.115 0.000 0.745 480 E HN 0.425 nan 8.360 nan 0.000 0.477 481 S N 0.953 116.689 115.700 0.060 0.000 2.440 481 S HA -0.170 4.290 4.470 -0.018 0.000 0.238 481 S C 1.400 176.013 174.600 0.023 0.000 1.010 481 S CA 1.354 59.578 58.200 0.041 0.000 0.972 481 S CB -0.202 63.018 63.200 0.034 0.000 0.774 481 S HN 0.449 nan 8.310 nan 0.000 0.501 482 E N -0.295 119.922 120.200 0.029 0.000 2.624 482 E HA 0.471 4.810 4.350 -0.018 0.000 0.210 482 E C 0.607 177.219 176.600 0.019 0.000 0.997 482 E CA 0.040 56.451 56.400 0.019 0.000 0.999 482 E CB 0.413 30.131 29.700 0.030 0.000 1.040 482 E HN 0.306 nan 8.360 nan 0.000 0.469 483 A N 1.004 123.838 122.820 0.023 0.000 2.460 483 A HA 0.296 4.605 4.320 -0.018 0.000 0.258 483 A C 0.334 177.882 177.584 -0.060 0.000 1.300 483 A CA -0.204 51.849 52.037 0.026 0.000 0.913 483 A CB 0.244 19.297 19.000 0.089 0.000 1.031 483 A HN 0.110 nan 8.150 nan 0.000 0.512 484 V N 2.917 122.724 119.914 -0.177 0.000 2.304 484 V HA 0.400 4.509 4.120 -0.018 0.000 0.269 484 V C -0.400 175.476 176.094 -0.364 0.000 1.036 484 V CA -0.685 61.318 62.300 -0.496 0.000 0.840 484 V CB 0.389 31.797 31.823 -0.692 0.000 1.036 484 V HN 0.460 nan 8.190 nan 0.000 0.466 485 R N 3.512 123.808 120.500 -0.338 0.000 2.778 485 R HA 0.656 4.985 4.340 -0.018 0.000 0.277 485 R C -0.222 176.031 176.300 -0.078 0.000 0.977 485 R CA -0.733 55.297 56.100 -0.116 0.000 0.950 485 R CB 2.176 32.522 30.300 0.075 0.000 1.165 485 R HN 0.881 nan 8.270 nan 0.000 0.474 486 E N 0.498 120.752 120.200 0.091 0.000 2.249 486 E HA 0.718 5.058 4.350 -0.018 0.000 0.263 486 E C -0.780 176.028 176.600 0.347 0.000 0.950 486 E CA -1.114 55.373 56.400 0.145 0.000 0.827 486 E CB 1.610 31.353 29.700 0.071 0.000 1.220 486 E HN 0.543 nan 8.360 nan 0.000 0.411 487 A N 1.064 124.082 122.820 0.330 0.000 2.332 487 A HA 0.293 4.602 4.320 -0.018 0.000 0.258 487 A C -0.369 177.315 177.584 0.167 0.000 1.087 487 A CA -0.223 52.023 52.037 0.348 0.000 0.802 487 A CB 0.444 19.640 19.000 0.327 0.000 1.042 487 A HN 0.691 nan 8.150 nan 0.000 0.489 488 D N 0.141 120.591 120.400 0.084 0.000 2.527 488 D HA 0.423 5.052 4.640 -0.018 0.000 0.242 488 D C 0.694 176.997 176.300 0.004 0.000 1.285 488 D CA 0.287 54.306 54.000 0.031 0.000 0.886 488 D CB 0.761 41.560 40.800 -0.001 0.000 1.402 488 D HN 0.472 nan 8.370 nan 0.000 0.528 489 A N 2.932 125.773 122.820 0.034 0.000 1.972 489 A HA -0.170 4.140 4.320 -0.018 0.000 0.219 489 A C 2.076 179.658 177.584 -0.004 0.000 1.169 489 A CA 1.426 53.478 52.037 0.026 0.000 0.635 489 A CB -0.206 18.824 19.000 0.049 0.000 0.810 489 A HN 0.500 nan 8.150 nan 0.000 0.446 490 R N -0.072 120.425 120.500 -0.006 0.000 2.091 490 R HA -0.127 4.203 4.340 -0.018 0.000 0.238 490 R C 1.519 177.796 176.300 -0.039 0.000 1.136 490 R CA 1.968 58.056 56.100 -0.020 0.000 0.959 490 R CB -0.397 29.896 30.300 -0.012 0.000 0.856 490 R HN 0.576 nan 8.270 nan 0.000 0.437 491 T N -2.989 111.540 114.554 -0.042 0.000 3.251 491 T HA 0.265 4.604 4.350 -0.018 0.000 0.259 491 T C 0.858 175.514 174.700 -0.073 0.000 0.998 491 T CA 0.101 62.168 62.100 -0.056 0.000 0.905 491 T CB 0.634 69.473 68.868 -0.049 0.000 1.067 491 T HN 0.408 nan 8.240 nan 0.000 0.569 492 G N 2.331 111.091 108.800 -0.067 0.000 2.321 492 G HA2 -0.368 3.581 3.960 -0.018 0.000 0.287 492 G HA3 -0.368 3.581 3.960 -0.018 0.000 0.287 492 G C 0.136 174.962 174.900 -0.123 0.000 1.018 492 G CA 0.300 45.360 45.100 -0.068 0.000 0.855 492 G HN 0.905 nan 8.290 nan 0.000 0.507 493 R N 0.616 121.006 120.500 -0.183 0.000 2.537 493 R HA 0.370 4.699 4.340 -0.018 0.000 0.281 493 R C 0.949 176.893 176.300 -0.594 0.000 0.988 493 R CA 1.200 57.073 56.100 -0.379 0.000 1.077 493 R CB 0.156 30.219 30.300 -0.396 0.000 0.932 493 R HN 0.501 nan 8.270 nan 0.000 0.409 494 T N 0.792 114.907 114.554 -0.733 0.000 2.804 494 T HA 0.559 4.899 4.350 -0.018 0.000 0.290 494 T C -1.109 173.067 174.700 -0.873 0.000 1.099 494 T CA -0.972 60.690 62.100 -0.730 0.000 1.011 494 T CB 1.264 69.909 68.868 -0.372 0.000 1.291 494 T HN 0.578 nan 8.240 nan 0.000 0.523 495 W N 0.392 121.646 121.300 -0.077 0.000 2.957 495 W HA 0.604 5.253 4.660 -0.017 0.000 0.336 495 W C -1.255 175.240 176.519 -0.039 0.000 1.087 495 W CA -1.147 56.174 57.345 -0.039 0.000 1.235 495 W CB 1.720 31.165 29.460 -0.026 0.000 1.399 495 W HN 0.603 nan 8.180 nan 0.000 0.480 496 I N 4.071 124.736 120.570 0.159 0.000 2.404 496 I HA 0.341 4.500 4.170 -0.018 0.000 0.293 496 I C -0.380 175.819 176.117 0.138 0.000 0.992 496 I CA -0.985 60.383 61.300 0.113 0.000 1.149 496 I CB 1.518 39.556 38.000 0.063 0.000 1.315 496 I HN 0.099 nan 8.210 nan 0.000 0.446 497 I N 5.930 126.584 120.570 0.140 0.000 2.330 497 I HA 0.305 4.464 4.170 -0.018 0.000 0.289 497 I C 0.180 176.375 176.117 0.131 0.000 1.001 497 I CA 0.193 61.569 61.300 0.127 0.000 1.193 497 I CB 1.378 39.444 38.000 0.110 0.000 1.345 497 I HN 0.571 nan 8.210 nan 0.000 0.461 498 S N 3.926 119.693 115.700 0.112 0.000 2.634 498 S HA 0.568 5.027 4.470 -0.018 0.000 0.296 498 S C -0.718 173.936 174.600 0.091 0.000 1.104 498 S CA -0.944 57.322 58.200 0.110 0.000 0.920 498 S CB 1.969 65.222 63.200 0.087 0.000 1.111 498 S HN 0.510 nan 8.310 nan 0.000 0.493 499 N N 2.033 120.782 118.700 0.083 0.000 2.546 499 N HA 0.356 5.085 4.740 -0.018 0.000 0.238 499 N C -2.015 173.518 175.510 0.039 0.000 0.984 499 N CA -2.292 50.792 53.050 0.057 0.000 0.935 499 N CB 1.368 39.882 38.487 0.045 0.000 1.122 499 N HN 0.404 nan 8.380 nan 0.000 0.510 500 P HA -0.025 nan 4.420 nan 0.000 0.236 500 P C -0.172 177.138 177.300 0.018 0.000 1.172 500 P CA 1.006 64.124 63.100 0.030 0.000 0.759 500 P CB 0.406 32.128 31.700 0.036 0.000 0.843 501 E N -1.442 118.766 120.200 0.013 0.000 2.601 501 E HA 0.138 4.477 4.350 -0.018 0.000 0.219 501 E C 0.071 176.663 176.600 -0.013 0.000 0.964 501 E CA -0.070 56.332 56.400 0.004 0.000 1.050 501 E CB 0.625 30.332 29.700 0.011 0.000 1.068 501 E HN -0.041 nan 8.360 nan 0.000 0.496 502 S N 1.421 117.107 115.700 -0.023 0.000 2.669 502 S HA 0.328 4.787 4.470 -0.018 0.000 0.315 502 S C -0.847 173.713 174.600 -0.067 0.000 1.106 502 S CA -0.630 57.536 58.200 -0.056 0.000 1.107 502 S CB 0.411 63.563 63.200 -0.080 0.000 0.990 502 S HN -0.018 nan 8.310 nan 0.000 0.471 503 K N 3.035 123.396 120.400 -0.065 0.000 2.156 503 K HA 0.409 4.718 4.320 -0.018 0.000 0.254 503 K C 0.039 176.589 176.600 -0.084 0.000 0.950 503 K CA -0.997 55.253 56.287 -0.062 0.000 0.849 503 K CB 0.905 33.383 32.500 -0.037 0.000 1.100 503 K HN 0.743 nan 8.250 nan 0.000 0.434 504 N N 0.839 119.491 118.700 -0.080 0.000 2.364 504 N HA 0.016 4.746 4.740 -0.018 0.000 0.264 504 N C 0.721 176.201 175.510 -0.050 0.000 1.263 504 N CA -0.398 52.603 53.050 -0.082 0.000 0.959 504 N CB 0.294 38.740 38.487 -0.069 0.000 1.204 504 N HN 0.573 nan 8.380 nan 0.000 0.550 505 R N -0.646 119.831 120.500 -0.038 0.000 2.249 505 R HA -0.029 4.301 4.340 -0.018 0.000 0.230 505 R C 0.568 176.856 176.300 -0.020 0.000 1.121 505 R CA 1.208 57.292 56.100 -0.025 0.000 0.997 505 R CB -0.777 29.513 30.300 -0.017 0.000 0.867 505 R HN 0.577 nan 8.270 nan 0.000 0.465 506 L N 1.203 122.414 121.223 -0.019 0.000 2.685 506 L HA 0.155 4.484 4.340 -0.018 0.000 0.233 506 L C 0.277 177.138 176.870 -0.015 0.000 1.173 506 L CA -0.134 54.697 54.840 -0.014 0.000 0.961 506 L CB -0.643 41.409 42.059 -0.011 0.000 1.217 506 L HN 0.409 nan 8.230 nan 0.000 0.478 507 N N 1.515 120.204 118.700 -0.019 0.000 2.754 507 N HA -0.163 4.566 4.740 -0.018 0.000 0.248 507 N C -0.369 175.132 175.510 -0.015 0.000 1.093 507 N CA 0.321 53.361 53.050 -0.018 0.000 0.699 507 N CB -0.037 38.443 38.487 -0.013 0.000 1.016 507 N HN 0.389 nan 8.380 nan 0.000 0.552 508 E N 0.213 120.403 120.200 -0.017 0.000 2.212 508 E HA 0.418 4.757 4.350 -0.018 0.000 0.268 508 E C -2.518 174.073 176.600 -0.015 0.000 0.902 508 E CA -1.752 54.641 56.400 -0.011 0.000 0.779 508 E CB 1.618 31.314 29.700 -0.006 0.000 1.172 508 E HN 0.108 nan 8.360 nan 0.000 0.409 509 P HA -0.058 nan 4.420 nan 0.000 0.263 509 P C -0.024 177.281 177.300 0.008 0.000 1.195 509 P CA -0.029 63.072 63.100 0.002 0.000 0.762 509 P CB 0.352 32.064 31.700 0.021 0.000 0.799 510 V N 2.066 121.972 119.914 -0.014 0.000 2.999 510 V HA 0.680 4.789 4.120 -0.018 0.000 0.307 510 V C 0.639 176.827 176.094 0.158 0.000 1.084 510 V CA 0.319 62.625 62.300 0.010 0.000 1.155 510 V CB 0.101 31.819 31.823 -0.175 0.000 0.975 510 V HN 0.747 nan 8.190 nan 0.000 0.490 511 G N 1.728 110.682 108.800 0.257 0.000 2.559 511 G HA2 0.590 4.539 3.960 -0.018 0.000 0.291 511 G HA3 0.590 4.539 3.960 -0.018 0.000 0.291 511 G C -2.310 172.719 174.900 0.215 0.000 1.424 511 G CA -0.734 44.510 45.100 0.241 0.000 0.786 511 G HN 0.780 nan 8.290 nan 0.000 0.485 512 Y N -0.108 120.206 120.300 0.022 0.000 2.457 512 Y HA 0.612 5.152 4.550 -0.017 0.000 0.343 512 Y C 0.049 175.960 175.900 0.019 0.000 0.994 512 Y CA -0.801 57.294 58.100 -0.008 0.000 1.031 512 Y CB 2.800 41.224 38.460 -0.060 0.000 1.246 512 Y HN 0.526 nan 8.280 nan 0.000 0.449 513 K N 3.741 124.191 120.400 0.082 0.000 2.206 513 K HA 0.552 4.861 4.320 -0.018 0.000 0.264 513 K C -1.678 174.905 176.600 -0.028 0.000 0.967 513 K CA -0.894 55.384 56.287 -0.014 0.000 0.844 513 K CB 1.108 33.525 32.500 -0.138 0.000 1.099 513 K HN 0.612 nan 8.250 nan 0.000 0.441 514 L N 5.009 126.228 121.223 -0.007 0.000 2.257 514 L HA 0.293 4.622 4.340 -0.018 0.000 0.290 514 L C -1.368 175.477 176.870 -0.042 0.000 1.044 514 L CA 0.027 54.906 54.840 0.064 0.000 0.810 514 L CB 0.450 42.579 42.059 0.116 0.000 1.193 514 L HN 0.647 nan 8.230 nan 0.000 0.425 515 H N 4.543 123.731 119.070 0.197 0.000 2.597 515 H HA 0.698 5.243 4.556 -0.018 0.000 0.303 515 H C -0.010 175.469 175.328 0.251 0.000 1.057 515 H CA -0.029 56.129 56.048 0.183 0.000 1.261 515 H CB 1.194 31.047 29.762 0.151 0.000 1.397 515 H HN 0.887 nan 8.280 nan 0.000 0.461 516 A N 2.305 125.339 122.820 0.355 0.000 2.279 516 A HA 0.208 4.517 4.320 -0.018 0.000 0.303 516 A C 0.344 178.238 177.584 0.515 0.000 1.108 516 A CA -0.591 51.693 52.037 0.413 0.000 0.830 516 A CB 0.506 19.790 19.000 0.475 0.000 1.106 516 A HN 1.007 nan 8.150 nan 0.000 0.493 517 H N 0.765 120.024 119.070 0.315 0.000 2.548 517 H HA 0.005 4.551 4.556 -0.018 0.000 0.265 517 H C -0.106 175.347 175.328 0.209 0.000 0.969 517 H CA 0.191 56.374 56.048 0.225 0.000 1.155 517 H CB 0.181 30.067 29.762 0.207 0.000 1.394 517 H HN 0.761 nan 8.280 nan 0.000 0.570 518 N N 1.928 120.857 118.700 0.382 0.000 2.735 518 N HA -0.174 4.556 4.740 -0.018 0.000 0.248 518 N C -0.460 175.186 175.510 0.227 0.000 1.083 518 N CA 0.564 53.785 53.050 0.285 0.000 0.703 518 N CB -0.903 37.710 38.487 0.211 0.000 1.005 518 N HN 0.520 nan 8.380 nan 0.000 0.550 519 Q N -0.044 119.907 119.800 0.252 0.000 2.417 519 Q HA 0.292 4.621 4.340 -0.018 0.000 0.241 519 Q C -1.830 174.254 176.000 0.139 0.000 1.008 519 Q CA -0.928 54.988 55.803 0.188 0.000 0.901 519 Q CB 0.134 28.996 28.738 0.208 0.000 1.259 519 Q HN 0.142 nan 8.270 nan 0.000 0.489 520 P HA -0.006 nan 4.420 nan 0.000 0.268 520 P C -0.188 177.132 177.300 0.033 0.000 1.205 520 P CA 0.220 63.355 63.100 0.058 0.000 0.771 520 P CB 0.499 32.221 31.700 0.037 0.000 0.858 521 T N 0.610 115.178 114.554 0.023 0.000 2.994 521 T HA 0.273 4.612 4.350 -0.018 0.000 0.322 521 T C 0.338 174.998 174.700 -0.067 0.000 1.199 521 T CA -0.816 61.276 62.100 -0.014 0.000 0.945 521 T CB -0.042 68.829 68.868 0.005 0.000 1.754 521 T HN 0.172 nan 8.240 nan 0.000 0.571 522 L N 1.115 122.273 121.223 -0.109 0.000 2.584 522 L HA 0.176 4.506 4.340 -0.018 0.000 0.272 522 L C 0.876 177.693 176.870 -0.087 0.000 1.195 522 L CA 0.222 54.980 54.840 -0.138 0.000 0.920 522 L CB -0.423 41.527 42.059 -0.182 0.000 1.173 522 L HN 0.619 nan 8.230 nan 0.000 0.489 523 L N 4.950 126.120 121.223 -0.087 0.000 2.307 523 L HA 0.190 4.520 4.340 -0.018 0.000 0.211 523 L C 1.437 178.287 176.870 -0.033 0.000 1.099 523 L CA 0.269 55.081 54.840 -0.047 0.000 0.816 523 L CB -0.522 41.513 42.059 -0.039 0.000 0.952 523 L HN 0.839 nan 8.230 nan 0.000 0.455 524 A N 0.859 123.649 122.820 -0.051 0.000 2.586 524 A HA -0.127 4.182 4.320 -0.018 0.000 0.231 524 A C 0.342 177.918 177.584 -0.014 0.000 1.055 524 A CA -0.014 52.006 52.037 -0.028 0.000 0.756 524 A CB -0.122 18.856 19.000 -0.037 0.000 0.988 524 A HN 0.301 nan 8.150 nan 0.000 0.509 525 D N 2.717 123.118 120.400 0.002 0.000 2.506 525 D HA -0.010 4.619 4.640 -0.018 0.000 0.234 525 D C -1.030 175.269 176.300 -0.000 0.000 1.143 525 D CA -0.687 53.316 54.000 0.006 0.000 0.871 525 D CB 0.828 41.637 40.800 0.014 0.000 1.190 525 D HN 0.307 nan 8.370 nan 0.000 0.459 526 P HA -0.116 nan 4.420 nan 0.000 0.219 526 P C 1.058 178.355 177.300 -0.005 0.000 1.146 526 P CA 1.012 64.109 63.100 -0.005 0.000 0.808 526 P CB 0.048 31.746 31.700 -0.003 0.000 0.779 527 G N -0.042 108.758 108.800 0.000 0.000 3.088 527 G HA2 0.027 3.977 3.960 -0.018 0.000 0.212 527 G HA3 0.027 3.977 3.960 -0.018 0.000 0.212 527 G C 0.622 175.524 174.900 0.005 0.000 1.173 527 G CA 0.082 45.182 45.100 -0.000 0.000 0.779 527 G HN 0.456 nan 8.290 nan 0.000 0.540 528 S N -0.755 114.951 115.700 0.011 0.000 2.614 528 S HA 0.349 4.808 4.470 -0.018 0.000 0.265 528 S C 1.584 176.191 174.600 0.010 0.000 1.303 528 S CA 0.397 58.616 58.200 0.032 0.000 1.000 528 S CB 1.732 64.959 63.200 0.044 0.000 0.935 528 S HN 0.097 nan 8.310 nan 0.000 0.551 529 S N 0.850 116.563 115.700 0.021 0.000 2.356 529 S HA -0.153 4.307 4.470 -0.018 0.000 0.223 529 S C 1.711 176.283 174.600 -0.047 0.000 1.032 529 S CA 1.233 59.382 58.200 -0.085 0.000 1.005 529 S CB -0.845 62.180 63.200 -0.292 0.000 0.867 529 S HN 0.716 nan 8.310 nan 0.000 0.449 530 I N 2.152 122.740 120.570 0.030 0.000 2.264 530 I HA -0.033 4.127 4.170 -0.018 0.000 0.248 530 I C 2.376 178.495 176.117 0.003 0.000 1.111 530 I CA 1.272 62.599 61.300 0.046 0.000 1.382 530 I CB -1.007 37.010 38.000 0.029 0.000 1.060 530 I HN 0.355 nan 8.210 nan 0.000 0.418 531 A N 0.007 122.816 122.820 -0.018 0.000 1.933 531 A HA -0.208 4.102 4.320 -0.018 0.000 0.218 531 A C 2.316 179.882 177.584 -0.030 0.000 1.175 531 A CA 1.679 53.695 52.037 -0.035 0.000 0.628 531 A CB -0.507 18.478 19.000 -0.025 0.000 0.814 531 A HN 0.356 nan 8.150 nan 0.000 0.444 532 R N -0.363 120.115 120.500 -0.036 0.000 2.073 532 R HA 0.073 4.402 4.340 -0.018 0.000 0.229 532 R C 2.264 178.527 176.300 -0.063 0.000 1.120 532 R CA 1.514 57.580 56.100 -0.057 0.000 0.967 532 R CB -0.454 29.795 30.300 -0.086 0.000 0.862 532 R HN 0.571 nan 8.270 nan 0.000 0.436 533 R N -0.391 120.087 120.500 -0.036 0.000 2.115 533 R HA 0.127 4.456 4.340 -0.018 0.000 0.226 533 R C 0.612 177.006 176.300 0.158 0.000 1.100 533 R CA 1.267 57.359 56.100 -0.014 0.000 0.980 533 R CB 0.098 30.402 30.300 0.008 0.000 0.875 533 R HN 0.080 nan 8.270 nan 0.000 0.445 534 A N 0.259 123.194 122.820 0.192 0.000 3.041 534 A HA 0.501 4.810 4.320 -0.018 0.000 0.307 534 A C 1.201 178.698 177.584 -0.144 0.000 1.116 534 A CA -0.045 52.079 52.037 0.146 0.000 1.001 534 A CB 0.241 19.209 19.000 -0.053 0.000 1.112 534 A HN 0.249 nan 8.150 nan 0.000 0.556 535 A N 0.390 123.199 122.820 -0.018 0.000 1.948 535 A HA -0.092 4.218 4.320 -0.018 0.000 0.220 535 A C 1.803 179.413 177.584 0.043 0.000 1.177 535 A CA 1.870 53.904 52.037 -0.004 0.000 0.636 535 A CB -0.962 18.040 19.000 0.004 0.000 0.815 535 A HN 1.382 nan 8.150 nan 0.000 0.449 536 F N -0.177 119.671 119.950 -0.170 0.000 2.202 536 F HA 0.016 4.533 4.527 -0.018 0.000 0.301 536 F C 2.033 177.918 175.800 0.142 0.000 1.082 536 F CA 0.882 58.724 58.000 -0.263 0.000 1.313 536 F CB -0.863 37.851 39.000 -0.476 0.000 1.024 536 F HN 0.153 nan 8.300 nan 0.000 0.495 537 A N 0.475 122.717 122.820 -0.963 0.000 2.206 537 A HA -0.007 4.302 4.320 -0.018 0.000 0.211 537 A C 2.078 179.528 177.584 -0.223 0.000 1.158 537 A CA 1.244 52.856 52.037 -0.708 0.000 0.761 537 A CB -1.463 16.941 19.000 -0.994 0.000 0.801 537 A HN 0.566 nan 8.150 nan 0.000 0.473 538 T N -3.480 111.032 114.554 -0.069 0.000 3.129 538 T HA 0.207 4.546 4.350 -0.018 0.000 0.251 538 T C 0.486 175.207 174.700 0.035 0.000 1.117 538 T CA 0.202 62.298 62.100 -0.006 0.000 1.034 538 T CB 0.062 68.940 68.868 0.017 0.000 0.968 538 T HN 0.076 nan 8.240 nan 0.000 0.526 539 K N 0.891 121.361 120.400 0.117 0.000 2.469 539 K HA 0.403 4.713 4.320 -0.018 0.000 0.254 539 K C -0.469 176.195 176.600 0.107 0.000 0.939 539 K CA -0.578 55.708 56.287 -0.002 0.000 0.812 539 K CB 2.129 34.393 32.500 -0.393 0.000 1.301 539 K HN -0.056 nan 8.250 nan 0.000 0.433 540 D N 0.303 120.726 120.400 0.038 0.000 2.162 540 D HA -0.013 4.617 4.640 -0.018 0.000 0.203 540 D C -0.019 176.335 176.300 0.090 0.000 0.967 540 D CA 0.842 54.911 54.000 0.115 0.000 0.840 540 D CB 0.329 41.240 40.800 0.186 0.000 0.972 540 D HN 0.132 nan 8.370 nan 0.000 0.482 541 L N -0.384 120.738 121.223 -0.167 0.000 2.482 541 L HA 0.455 4.785 4.340 -0.018 0.000 0.263 541 L C -2.011 174.751 176.870 -0.180 0.000 0.957 541 L CA -0.615 54.096 54.840 -0.214 0.000 0.836 541 L CB 1.513 43.008 42.059 -0.941 0.000 1.324 541 L HN -0.122 nan 8.230 nan 0.000 0.406 542 W N 4.038 125.337 121.300 -0.000 0.000 2.844 542 W HA 0.773 5.422 4.660 -0.018 0.000 0.340 542 W C -1.202 175.429 176.519 0.188 0.000 1.093 542 W CA -0.841 56.545 57.345 0.068 0.000 1.212 542 W CB 2.019 31.512 29.460 0.054 0.000 1.422 542 W HN 0.168 nan 8.180 nan 0.000 0.515 543 V N 2.456 122.598 119.914 0.380 0.000 2.531 543 V HA 0.699 4.809 4.120 -0.018 0.000 0.301 543 V C -0.067 176.234 176.094 0.345 0.000 1.034 543 V CA -0.830 61.669 62.300 0.332 0.000 0.865 543 V CB 1.315 33.244 31.823 0.177 0.000 0.995 543 V HN 0.591 nan 8.190 nan 0.000 0.424 544 T N 1.546 116.350 114.554 0.416 0.000 2.930 544 T HA 0.753 5.092 4.350 -0.018 0.000 0.290 544 T C -0.427 174.414 174.700 0.234 0.000 1.052 544 T CA -0.957 61.346 62.100 0.338 0.000 1.017 544 T CB 2.118 71.255 68.868 0.448 0.000 1.137 544 T HN 0.504 nan 8.240 nan 0.000 0.511 545 R N 0.933 121.529 120.500 0.160 0.000 2.340 545 R HA 0.321 4.651 4.340 -0.018 0.000 0.300 545 R C -0.885 175.472 176.300 0.095 0.000 1.069 545 R CA -0.964 55.208 56.100 0.119 0.000 0.984 545 R CB -0.638 29.709 30.300 0.078 0.000 1.003 545 R HN 0.773 nan 8.270 nan 0.000 0.459 546 Y N 3.240 123.539 120.300 -0.002 0.000 2.712 546 Y HA 0.277 4.816 4.550 -0.018 0.000 0.333 546 Y C -0.748 175.101 175.900 -0.085 0.000 1.225 546 Y CA 0.894 58.962 58.100 -0.054 0.000 1.499 546 Y CB 0.419 38.818 38.460 -0.103 0.000 1.288 546 Y HN 0.740 nan 8.280 nan 0.000 0.575 547 A N 5.126 127.295 122.820 -1.085 0.000 2.459 547 A HA 0.273 4.582 4.320 -0.018 0.000 0.296 547 A C 0.110 177.049 177.584 -1.076 0.000 1.039 547 A CA -0.294 51.244 52.037 -0.832 0.000 0.698 547 A CB 0.652 19.368 19.000 -0.473 0.000 1.261 547 A HN 0.820 nan 8.150 nan 0.000 0.405 548 D N 1.443 121.422 120.400 -0.702 0.000 2.309 548 D HA -0.166 4.463 4.640 -0.018 0.000 0.212 548 D C 0.423 176.536 176.300 -0.310 0.000 0.968 548 D CA 1.536 55.291 54.000 -0.407 0.000 0.882 548 D CB 0.045 40.779 40.800 -0.109 0.000 0.918 548 D HN 0.558 nan 8.370 nan 0.000 0.503 549 D N -0.200 120.002 120.400 -0.330 0.000 2.395 549 D HA -0.013 4.616 4.640 -0.018 0.000 0.213 549 D C -0.260 175.828 176.300 -0.353 0.000 1.110 549 D CA -0.250 53.593 54.000 -0.261 0.000 0.835 549 D CB -0.569 40.125 40.800 -0.177 0.000 0.965 549 D HN 0.227 nan 8.370 nan 0.000 0.505 550 E N 0.817 120.715 120.200 -0.503 0.000 2.261 550 E HA 0.327 4.667 4.350 -0.018 0.000 0.239 550 E C 0.521 176.970 176.600 -0.252 0.000 0.991 550 E CA -0.262 55.729 56.400 -0.681 0.000 0.847 550 E CB 1.206 30.279 29.700 -1.044 0.000 1.223 550 E HN 0.080 nan 8.360 nan 0.000 0.446 551 R N 0.812 121.150 120.500 -0.270 0.000 2.175 551 R HA 0.110 4.440 4.340 -0.018 0.000 0.202 551 R C -0.104 175.893 176.300 -0.504 0.000 1.018 551 R CA 0.730 56.518 56.100 -0.520 0.000 1.029 551 R CB 0.534 30.205 30.300 -1.047 0.000 0.959 551 R HN 0.283 nan 8.270 nan 0.000 0.480 552 Y N -0.429 119.982 120.300 0.186 0.000 2.499 552 Y HA 0.296 4.835 4.550 -0.018 0.000 0.347 552 Y C -1.777 174.045 175.900 -0.130 0.000 0.987 552 Y CA -3.047 55.102 58.100 0.082 0.000 1.044 552 Y CB 1.287 39.696 38.460 -0.085 0.000 1.245 552 Y HN -0.160 nan 8.280 nan 0.000 0.461 553 P HA -0.097 nan 4.420 nan 0.000 0.226 553 P C 0.634 177.602 177.300 -0.553 0.000 1.153 553 P CA 1.542 64.216 63.100 -0.711 0.000 0.777 553 P CB 0.173 31.343 31.700 -0.883 0.000 0.794 554 T N -5.014 109.340 114.554 -0.334 0.000 3.044 554 T HA 0.512 4.852 4.350 -0.018 0.000 0.260 554 T C 0.877 175.473 174.700 -0.173 0.000 1.019 554 T CA 0.140 62.098 62.100 -0.237 0.000 0.921 554 T CB 0.194 68.938 68.868 -0.206 0.000 1.053 554 T HN 0.339 nan 8.240 nan 0.000 0.533 555 G N 1.300 110.044 108.800 -0.092 0.000 2.661 555 G HA2 -0.111 3.839 3.960 -0.018 0.000 0.685 555 G HA3 -0.111 3.839 3.960 -0.018 0.000 0.685 555 G C -0.377 174.480 174.900 -0.071 0.000 1.298 555 G CA -0.164 44.916 45.100 -0.033 0.000 0.855 555 G HN 0.087 nan 8.290 nan 0.000 0.560 556 D N -0.634 119.629 120.400 -0.228 0.000 2.224 556 D HA 0.099 4.728 4.640 -0.018 0.000 0.205 556 D C 0.749 176.479 176.300 -0.950 0.000 0.965 556 D CA 1.424 55.075 54.000 -0.582 0.000 0.852 556 D CB -0.046 40.188 40.800 -0.942 0.000 0.947 556 D HN 0.221 nan 8.370 nan 0.000 0.494 557 F N -0.067 119.735 119.950 -0.248 0.000 2.434 557 F HA 0.226 4.743 4.527 -0.018 0.000 0.367 557 F C 1.009 176.651 175.800 -0.262 0.000 1.093 557 F CA -0.714 57.095 58.000 -0.318 0.000 1.085 557 F CB 1.419 40.157 39.000 -0.437 0.000 1.322 557 F HN -0.361 nan 8.300 nan 0.000 0.452 558 V N 0.071 119.908 119.914 -0.129 0.000 2.685 558 V HA -0.068 4.042 4.120 -0.018 0.000 0.244 558 V C 1.108 177.090 176.094 -0.187 0.000 1.054 558 V CA 0.287 62.446 62.300 -0.235 0.000 1.076 558 V CB -0.472 31.084 31.823 -0.446 0.000 0.725 558 V HN 0.660 nan 8.190 nan 0.000 0.467 559 N N 1.688 120.316 118.700 -0.121 0.000 2.301 559 N HA -0.095 4.634 4.740 -0.018 0.000 0.267 559 N C 0.546 176.027 175.510 -0.049 0.000 1.304 559 N CA 0.766 53.766 53.050 -0.083 0.000 0.851 559 N CB -0.252 38.194 38.487 -0.067 0.000 1.070 559 N HN 0.481 nan 8.380 nan 0.000 0.483 560 Q N -0.156 119.620 119.800 -0.040 0.000 2.437 560 Q HA -0.312 4.018 4.340 -0.018 0.000 0.274 560 Q C -0.933 175.065 176.000 -0.003 0.000 1.165 560 Q CA 0.918 56.702 55.803 -0.031 0.000 0.925 560 Q CB -1.685 27.038 28.738 -0.026 0.000 1.327 560 Q HN 0.666 nan 8.270 nan 0.000 0.505 561 H N 0.016 118.995 119.070 -0.152 0.000 2.459 561 H HA 0.486 5.032 4.556 -0.018 0.000 0.332 561 H C 0.183 175.411 175.328 -0.167 0.000 1.094 561 H CA -0.063 55.897 56.048 -0.148 0.000 1.224 561 H CB 0.946 30.625 29.762 -0.139 0.000 1.449 561 H HN 0.228 nan 8.280 nan 0.000 0.484 562 S N 2.647 118.030 115.700 -0.529 0.000 2.596 562 S HA 0.457 4.916 4.470 -0.018 0.000 0.262 562 S C 0.947 175.171 174.600 -0.628 0.000 1.218 562 S CA -0.360 57.561 58.200 -0.467 0.000 0.998 562 S CB 0.302 63.315 63.200 -0.311 0.000 1.060 562 S HN 0.801 nan 8.310 nan 0.000 0.552 563 G N -1.849 106.727 108.800 -0.373 0.000 2.634 563 G HA2 0.485 4.435 3.960 -0.018 0.000 0.255 563 G HA3 0.485 4.435 3.960 -0.018 0.000 0.255 563 G C 0.808 175.534 174.900 -0.291 0.000 1.205 563 G CA -0.302 44.618 45.100 -0.300 0.000 0.884 563 G HN 1.858 nan 8.290 nan 0.000 0.549 564 G N -1.760 106.922 108.800 -0.197 0.000 2.624 564 G HA2 0.359 4.308 3.960 -0.018 0.000 0.190 564 G HA3 0.359 4.308 3.960 -0.018 0.000 0.190 564 G C 0.368 175.225 174.900 -0.072 0.000 1.008 564 G CA 0.734 45.767 45.100 -0.112 0.000 0.731 564 G HN 1.742 nan 8.290 nan 0.000 0.478 565 A N -0.401 122.369 122.820 -0.083 0.000 2.468 565 A HA 1.080 5.389 4.320 -0.018 0.000 0.270 565 A C 1.350 178.736 177.584 -0.329 0.000 1.217 565 A CA 0.892 52.868 52.037 -0.101 0.000 0.908 565 A CB 0.591 19.630 19.000 0.065 0.000 1.423 565 A HN 2.266 nan 8.150 nan 0.000 0.459 566 G N -1.848 106.632 108.800 -0.533 0.000 2.698 566 G HA2 -0.117 3.832 3.960 -0.018 0.000 0.233 566 G HA3 -0.117 3.832 3.960 -0.018 0.000 0.233 566 G C 0.714 174.729 174.900 -1.476 0.000 1.352 566 G CA 0.042 44.591 45.100 -0.919 0.000 0.879 566 G HN 1.283 nan 8.290 nan 0.000 0.567 567 L N 0.801 121.260 121.223 -1.273 0.000 2.034 567 L HA -0.162 4.167 4.340 -0.018 0.000 0.217 567 L C 0.312 176.784 176.870 -0.663 0.000 1.077 567 L CA 2.801 56.966 54.840 -1.124 0.000 0.769 567 L CB -1.268 39.910 42.059 -1.467 0.000 0.890 567 L HN 0.472 nan 8.230 nan 0.000 0.435 568 P HA -0.145 nan 4.420 nan 0.000 0.220 568 P C 1.728 178.945 177.300 -0.138 0.000 1.148 568 P CA 1.714 64.726 63.100 -0.146 0.000 0.803 568 P CB -0.006 31.632 31.700 -0.104 0.000 0.782 569 S N -2.390 113.149 115.700 -0.268 0.000 2.388 569 S HA -0.139 4.320 4.470 -0.018 0.000 0.223 569 S C 1.873 176.473 174.600 0.000 0.000 1.034 569 S CA 0.657 58.776 58.200 -0.134 0.000 0.963 569 S CB -1.585 61.530 63.200 -0.141 0.000 0.827 569 S HN -0.018 nan 8.310 nan 0.000 0.481 570 Y N 2.422 122.657 120.300 -0.109 0.000 2.097 570 Y HA 0.017 4.556 4.550 -0.018 0.000 0.282 570 Y C 2.585 178.467 175.900 -0.031 0.000 1.152 570 Y CA -0.300 57.746 58.100 -0.091 0.000 1.136 570 Y CB -1.228 37.138 38.460 -0.156 0.000 0.975 570 Y HN 0.190 nan 8.280 nan 0.000 0.498 571 I N 0.209 120.867 120.570 0.147 0.000 2.194 571 I HA -0.323 3.837 4.170 -0.018 0.000 0.246 571 I C 2.501 178.680 176.117 0.103 0.000 1.093 571 I CA 1.598 62.985 61.300 0.144 0.000 1.355 571 I CB -1.621 36.499 38.000 0.201 0.000 1.046 571 I HN 0.174 nan 8.210 nan 0.000 0.413 572 A N 0.042 122.907 122.820 0.076 0.000 2.076 572 A HA -0.246 4.063 4.320 -0.018 0.000 0.220 572 A C 2.157 179.772 177.584 0.051 0.000 1.160 572 A CA 1.366 53.435 52.037 0.053 0.000 0.653 572 A CB -0.636 18.384 19.000 0.034 0.000 0.801 572 A HN 0.568 nan 8.150 nan 0.000 0.455 573 Q N -1.470 118.367 119.800 0.062 0.000 2.291 573 Q HA -0.127 4.202 4.340 -0.018 0.000 0.205 573 Q C 0.228 176.256 176.000 0.047 0.000 0.970 573 Q CA 0.599 56.432 55.803 0.049 0.000 0.876 573 Q CB -0.087 28.680 28.738 0.049 0.000 0.935 573 Q HN 0.632 nan 8.270 nan 0.000 0.455 574 D N 0.543 120.978 120.400 0.058 0.000 2.689 574 D HA -0.172 4.458 4.640 -0.018 0.000 0.237 574 D C -0.873 175.458 176.300 0.052 0.000 1.148 574 D CA 0.590 54.623 54.000 0.055 0.000 0.656 574 D CB -0.586 40.240 40.800 0.043 0.000 1.050 574 D HN 0.214 nan 8.370 nan 0.000 0.426 575 R N 0.214 120.748 120.500 0.058 0.000 2.726 575 R HA 0.327 4.657 4.340 -0.018 0.000 0.272 575 R C 0.233 176.567 176.300 0.058 0.000 1.097 575 R CA -0.419 55.713 56.100 0.052 0.000 1.198 575 R CB 0.349 30.679 30.300 0.051 0.000 1.114 575 R HN 0.172 nan 8.270 nan 0.000 0.550 576 D N 1.307 121.738 120.400 0.052 0.000 2.312 576 D HA 0.078 4.707 4.640 -0.018 0.000 0.252 576 D C 0.517 176.857 176.300 0.066 0.000 1.150 576 D CA -0.145 53.887 54.000 0.055 0.000 0.870 576 D CB 0.625 41.452 40.800 0.046 0.000 1.153 576 D HN 0.532 nan 8.370 nan 0.000 0.457 577 I N -0.140 120.474 120.570 0.073 0.000 4.154 577 I HA 0.341 4.501 4.170 -0.018 0.000 0.334 577 I C 0.279 176.443 176.117 0.080 0.000 1.371 577 I CA -0.440 60.911 61.300 0.085 0.000 1.110 577 I CB 0.469 38.529 38.000 0.101 0.000 1.085 577 I HN 0.099 nan 8.210 nan 0.000 0.398 578 D N 3.205 123.646 120.400 0.068 0.000 2.470 578 D HA 0.309 4.938 4.640 -0.018 0.000 0.226 578 D C 1.104 177.440 176.300 0.060 0.000 1.196 578 D CA 0.758 54.796 54.000 0.063 0.000 0.979 578 D CB 0.135 40.967 40.800 0.054 0.000 1.059 578 D HN 0.574 nan 8.370 nan 0.000 0.515 579 G N 3.135 111.975 108.800 0.067 0.000 2.303 579 G HA2 -0.181 3.769 3.960 -0.018 0.000 0.260 579 G HA3 -0.181 3.769 3.960 -0.018 0.000 0.260 579 G C -0.040 174.903 174.900 0.070 0.000 1.106 579 G CA -0.286 44.853 45.100 0.065 0.000 0.900 579 G HN 0.486 nan 8.290 nan 0.000 0.495 580 Q N -0.777 119.073 119.800 0.083 0.000 2.882 580 Q HA 0.412 4.741 4.340 -0.018 0.000 0.315 580 Q C -0.984 175.082 176.000 0.110 0.000 1.004 580 Q CA -0.896 54.959 55.803 0.086 0.000 0.777 580 Q CB 0.794 29.577 28.738 0.076 0.000 1.506 580 Q HN 0.229 nan 8.270 nan 0.000 0.489 581 D N 1.748 122.207 120.400 0.098 0.000 2.338 581 D HA 0.343 4.972 4.640 -0.018 0.000 0.255 581 D C -0.424 175.955 176.300 0.131 0.000 1.237 581 D CA 0.036 54.095 54.000 0.099 0.000 0.883 581 D CB -0.159 40.604 40.800 -0.061 0.000 1.087 581 D HN 0.426 nan 8.370 nan 0.000 0.485 582 I N 0.026 120.684 120.570 0.146 0.000 3.002 582 I HA 0.691 4.850 4.170 -0.018 0.000 0.310 582 I C -1.027 175.157 176.117 0.111 0.000 1.087 582 I CA -1.083 60.300 61.300 0.139 0.000 1.017 582 I CB 2.268 40.342 38.000 0.123 0.000 1.226 582 I HN -0.069 nan 8.210 nan 0.000 0.443 583 V N 3.408 123.377 119.914 0.092 0.000 2.638 583 V HA 0.406 4.515 4.120 -0.018 0.000 0.306 583 V C -0.253 175.789 176.094 -0.086 0.000 1.052 583 V CA -0.671 61.589 62.300 -0.066 0.000 0.885 583 V CB 1.926 33.642 31.823 -0.179 0.000 0.999 583 V HN 0.565 nan 8.190 nan 0.000 0.424 584 V N 3.663 123.477 119.914 -0.167 0.000 2.394 584 V HA 0.440 4.550 4.120 -0.018 0.000 0.282 584 V C -1.075 174.930 176.094 -0.148 0.000 1.031 584 V CA -0.421 61.845 62.300 -0.055 0.000 0.881 584 V CB 1.476 33.277 31.823 -0.037 0.000 0.982 584 V HN 0.914 nan 8.190 nan 0.000 0.451 585 W N 4.219 125.568 121.300 0.082 0.000 2.336 585 W HA 0.459 5.108 4.660 -0.018 0.000 0.315 585 W C 0.092 176.716 176.519 0.174 0.000 1.016 585 W CA -0.447 56.952 57.345 0.091 0.000 1.318 585 W CB 0.453 29.939 29.460 0.043 0.000 1.247 585 W HN 0.566 nan 8.180 nan 0.000 0.414 586 H N 2.412 121.577 119.070 0.158 0.000 2.504 586 H HA 0.383 4.928 4.556 -0.017 0.000 0.322 586 H C -0.553 174.961 175.328 0.310 0.000 1.055 586 H CA -0.294 55.812 56.048 0.097 0.000 1.231 586 H CB 1.156 30.778 29.762 -0.232 0.000 1.417 586 H HN 0.152 nan 8.280 nan 0.000 0.472 587 T N 7.110 121.667 114.554 0.006 0.000 2.771 587 T HA 0.298 4.637 4.350 -0.018 0.000 0.291 587 T C -0.825 173.785 174.700 -0.149 0.000 0.954 587 T CA -0.302 61.819 62.100 0.034 0.000 1.045 587 T CB -0.208 68.767 68.868 0.178 0.000 0.917 587 T HN 0.472 nan 8.240 nan 0.000 0.484 588 F N 0.089 119.943 119.950 -0.161 0.000 2.615 588 F HA 0.835 5.352 4.527 -0.017 0.000 0.312 588 F C -0.252 175.658 175.800 0.184 0.000 1.119 588 F CA -1.134 56.836 58.000 -0.049 0.000 0.979 588 F CB 1.039 39.986 39.000 -0.088 0.000 1.266 588 F HN 0.772 nan 8.300 nan 0.000 0.444 589 G N 2.054 110.963 108.800 0.182 0.000 2.600 589 G HA2 0.620 4.569 3.960 -0.018 0.000 0.293 589 G HA3 0.620 4.569 3.960 -0.018 0.000 0.293 589 G C -2.371 172.604 174.900 0.125 0.000 1.408 589 G CA -1.170 44.029 45.100 0.165 0.000 0.782 589 G HN 0.820 nan 8.290 nan 0.000 0.482 590 L N 0.280 121.536 121.223 0.055 0.000 2.325 590 L HA 0.623 4.953 4.340 -0.018 0.000 0.278 590 L C -0.098 176.635 176.870 -0.228 0.000 1.023 590 L CA -0.645 54.145 54.840 -0.083 0.000 0.811 590 L CB 2.321 44.233 42.059 -0.244 0.000 1.249 590 L HN 0.407 nan 8.230 nan 0.000 0.431 591 T N 0.713 115.147 114.554 -0.200 0.000 2.791 591 T HA 0.377 4.716 4.350 -0.018 0.000 0.288 591 T C -0.694 173.813 174.700 -0.322 0.000 0.999 591 T CA -0.469 61.437 62.100 -0.324 0.000 0.952 591 T CB 0.237 68.963 68.868 -0.236 0.000 0.938 591 T HN 0.422 nan 8.240 nan 0.000 0.444 592 H N 2.069 120.737 119.070 -0.671 0.000 2.476 592 H HA 0.385 4.930 4.556 -0.018 0.000 0.328 592 H C -0.957 173.860 175.328 -0.851 0.000 1.073 592 H CA -0.901 54.752 56.048 -0.659 0.000 1.229 592 H CB 1.007 30.396 29.762 -0.621 0.000 1.432 592 H HN 0.454 nan 8.280 nan 0.000 0.477 593 F N 3.845 123.669 119.950 -0.210 0.000 2.451 593 F HA 0.265 4.781 4.527 -0.018 0.000 0.367 593 F C -2.137 173.641 175.800 -0.037 0.000 1.100 593 F CA -2.489 55.305 58.000 -0.343 0.000 1.171 593 F CB 0.740 39.413 39.000 -0.544 0.000 1.405 593 F HN 0.393 nan 8.300 nan 0.000 0.482 594 P HA 0.086 nan 4.420 nan 0.000 0.264 594 P C -0.373 177.024 177.300 0.161 0.000 1.179 594 P CA 0.171 63.381 63.100 0.183 0.000 0.763 594 P CB 0.656 32.519 31.700 0.272 0.000 0.806 595 R N 1.384 121.943 120.500 0.098 0.000 2.828 595 R HA 0.357 4.687 4.340 -0.018 0.000 0.264 595 R C 1.117 177.470 176.300 0.088 0.000 1.022 595 R CA -1.003 55.142 56.100 0.075 0.000 1.021 595 R CB 0.574 30.900 30.300 0.043 0.000 1.163 595 R HN 0.080 nan 8.270 nan 0.000 0.494 596 V N 1.289 121.244 119.914 0.067 0.000 2.469 596 V HA -0.233 3.876 4.120 -0.018 0.000 0.251 596 V C 1.420 177.587 176.094 0.122 0.000 1.064 596 V CA 1.874 64.230 62.300 0.094 0.000 1.066 596 V CB -0.557 31.298 31.823 0.053 0.000 0.667 596 V HN 0.704 nan 8.190 nan 0.000 0.461 597 E N -0.085 120.159 120.200 0.073 0.000 2.338 597 E HA -0.156 4.184 4.350 -0.018 0.000 0.197 597 E C 1.698 178.328 176.600 0.049 0.000 1.007 597 E CA 0.810 57.240 56.400 0.049 0.000 0.849 597 E CB -0.228 29.483 29.700 0.019 0.000 0.774 597 E HN 0.572 nan 8.360 nan 0.000 0.506 598 D N -0.997 119.455 120.400 0.087 0.000 2.347 598 D HA -0.071 4.558 4.640 -0.018 0.000 0.213 598 D C -0.238 176.160 176.300 0.163 0.000 0.985 598 D CA 0.309 54.363 54.000 0.089 0.000 0.879 598 D CB 0.147 41.007 40.800 0.100 0.000 0.919 598 D HN 0.217 nan 8.370 nan 0.000 0.526 599 W N 2.241 123.540 121.300 -0.002 0.000 2.606 599 W HA 0.200 4.850 4.660 -0.018 0.000 0.332 599 W C -1.853 174.675 176.519 0.015 0.000 1.052 599 W CA -1.978 55.374 57.345 0.012 0.000 1.223 599 W CB 2.014 31.484 29.460 0.016 0.000 1.383 599 W HN -0.192 nan 8.180 nan 0.000 0.524 600 P HA 0.052 nan 4.420 nan 0.000 0.227 600 P C 0.122 176.958 177.300 -0.774 0.000 1.161 600 P CA 0.977 63.187 63.100 -1.482 0.000 0.788 600 P CB 1.470 32.644 31.700 -0.876 0.000 0.822 601 I N -0.425 119.881 120.570 -0.440 0.000 2.569 601 I HA 0.291 4.450 4.170 -0.018 0.000 0.290 601 I C -0.548 175.424 176.117 -0.241 0.000 1.088 601 I CA -1.640 59.415 61.300 -0.408 0.000 1.047 601 I CB 2.304 39.837 38.000 -0.779 0.000 1.237 601 I HN -0.307 nan 8.210 nan 0.000 0.421 602 M N 9.196 128.698 119.600 -0.164 0.000 2.219 602 M HA 0.291 4.761 4.480 -0.018 0.000 0.353 602 M C -2.301 173.941 176.300 -0.096 0.000 1.304 602 M CA -1.382 53.865 55.300 -0.089 0.000 1.115 602 M CB 0.216 32.790 32.600 -0.042 0.000 1.664 602 M HN 0.290 nan 8.290 nan 0.000 0.459 603 P HA 0.172 nan 4.420 nan 0.000 0.278 603 P C -0.497 176.783 177.300 -0.033 0.000 1.238 603 P CA -0.463 62.601 63.100 -0.060 0.000 0.794 603 P CB 0.762 32.433 31.700 -0.048 0.000 0.955 604 V N 2.964 122.868 119.914 -0.017 0.000 2.644 604 V HA -0.070 4.039 4.120 -0.018 0.000 0.305 604 V C 0.797 176.899 176.094 0.013 0.000 1.053 604 V CA 1.119 63.428 62.300 0.015 0.000 1.186 604 V CB -0.360 31.482 31.823 0.033 0.000 0.895 604 V HN 0.638 nan 8.190 nan 0.000 0.490 605 D N 2.924 123.347 120.400 0.037 0.000 2.342 605 D HA 0.666 5.295 4.640 -0.018 0.000 0.243 605 D C -0.168 176.158 176.300 0.044 0.000 1.019 605 D CA -0.204 53.834 54.000 0.063 0.000 0.864 605 D CB 2.109 42.999 40.800 0.151 0.000 1.315 605 D HN 0.716 nan 8.370 nan 0.000 0.468 606 T N -0.967 113.608 114.554 0.036 0.000 2.916 606 T HA 0.773 5.112 4.350 -0.018 0.000 0.292 606 T C -0.812 173.916 174.700 0.046 0.000 1.055 606 T CA -0.803 61.292 62.100 -0.009 0.000 1.009 606 T CB 1.550 70.391 68.868 -0.046 0.000 1.118 606 T HN 0.246 nan 8.240 nan 0.000 0.497 607 V N -0.230 119.684 119.914 -0.000 0.000 3.204 607 V HA 0.889 4.998 4.120 -0.018 0.000 0.298 607 V C -0.187 175.880 176.094 -0.045 0.000 1.328 607 V CA 0.505 62.873 62.300 0.113 0.000 1.035 607 V CB 1.776 33.716 31.823 0.196 0.000 1.095 607 V HN 1.670 nan 8.190 nan 0.000 0.442 608 G N 2.333 110.976 108.800 -0.262 0.000 2.393 608 G HA2 0.686 4.635 3.960 -0.018 0.000 0.264 608 G HA3 0.686 4.635 3.960 -0.018 0.000 0.264 608 G C -1.490 172.851 174.900 -0.931 0.000 1.221 608 G CA 0.221 44.960 45.100 -0.601 0.000 0.912 608 G HN 1.923 nan 8.290 nan 0.000 0.483 609 F N -1.064 118.514 119.950 -0.620 0.000 2.807 609 F HA 0.859 5.376 4.527 -0.018 0.000 0.316 609 F C -1.066 174.721 175.800 -0.023 0.000 1.162 609 F CA -0.947 56.878 58.000 -0.292 0.000 0.910 609 F CB 1.501 40.353 39.000 -0.245 0.000 1.314 609 F HN 0.845 nan 8.300 nan 0.000 0.454 610 K N 0.858 121.406 120.400 0.245 0.000 2.555 610 K HA 0.831 5.140 4.320 -0.018 0.000 0.279 610 K C -2.481 174.346 176.600 0.379 0.000 0.986 610 K CA -1.053 55.362 56.287 0.213 0.000 0.880 610 K CB 2.611 35.216 32.500 0.175 0.000 1.474 610 K HN 0.738 nan 8.250 nan 0.000 0.433 611 L N 1.446 122.895 121.223 0.376 0.000 2.381 611 L HA 0.557 4.886 4.340 -0.018 0.000 0.274 611 L C -0.528 176.615 176.870 0.454 0.000 0.988 611 L CA -0.642 54.448 54.840 0.416 0.000 0.824 611 L CB 1.974 44.294 42.059 0.434 0.000 1.263 611 L HN 0.534 nan 8.230 nan 0.000 0.410 612 R N 3.116 123.798 120.500 0.303 0.000 2.589 612 R HA 0.537 4.866 4.340 -0.018 0.000 0.293 612 R C -2.604 173.462 176.300 -0.390 0.000 0.963 612 R CA -1.962 54.194 56.100 0.092 0.000 0.905 612 R CB 1.849 32.246 30.300 0.162 0.000 1.144 612 R HN 0.268 nan 8.270 nan 0.000 0.459 613 P HA -0.020 nan 4.420 nan 0.000 0.266 613 P C -0.524 176.556 177.300 -0.366 0.000 1.195 613 P CA 0.198 62.674 63.100 -1.041 0.000 0.768 613 P CB 0.656 32.086 31.700 -0.450 0.000 0.838 614 E N 2.118 122.162 120.200 -0.259 0.000 2.873 614 E HA 0.435 4.774 4.350 -0.018 0.000 0.232 614 E C 0.676 177.274 176.600 -0.003 0.000 1.123 614 E CA -0.393 55.966 56.400 -0.068 0.000 0.809 614 E CB -0.618 29.061 29.700 -0.035 0.000 1.366 614 E HN 0.667 nan 8.360 nan 0.000 0.400 615 G N 3.171 111.980 108.800 0.017 0.000 2.160 615 G HA2 -0.361 3.588 3.960 -0.018 0.000 0.251 615 G HA3 -0.361 3.588 3.960 -0.018 0.000 0.251 615 G C 0.490 175.403 174.900 0.022 0.000 1.008 615 G CA 0.409 45.525 45.100 0.026 0.000 0.724 615 G HN 0.534 nan 8.290 nan 0.000 0.514 616 F N 0.108 119.948 119.950 -0.185 0.000 2.187 616 F HA 0.475 4.992 4.527 -0.018 0.000 0.295 616 F C 1.349 176.912 175.800 -0.394 0.000 1.091 616 F CA 0.556 58.356 58.000 -0.334 0.000 1.308 616 F CB 0.045 38.730 39.000 -0.526 0.000 1.030 616 F HN 0.121 nan 8.300 nan 0.000 0.487 617 F N 0.397 120.367 119.950 0.033 0.000 2.411 617 F HA 0.222 4.738 4.527 -0.019 0.000 0.324 617 F C 1.398 177.159 175.800 -0.065 0.000 1.086 617 F CA -0.769 57.198 58.000 -0.056 0.000 1.028 617 F CB 0.295 39.275 39.000 -0.034 0.000 1.284 617 F HN -0.268 nan 8.300 nan 0.000 0.501 618 D N -0.064 120.427 120.400 0.152 0.000 2.349 618 D HA 0.065 4.695 4.640 -0.018 0.000 0.215 618 D C 0.313 176.644 176.300 0.051 0.000 1.016 618 D CA 0.600 54.636 54.000 0.060 0.000 0.870 618 D CB 0.277 41.095 40.800 0.030 0.000 0.917 618 D HN 0.513 nan 8.370 nan 0.000 0.524 619 R N -1.997 118.544 120.500 0.068 0.000 2.832 619 R HA 0.203 4.532 4.340 -0.018 0.000 0.283 619 R C -0.801 175.490 176.300 -0.014 0.000 0.998 619 R CA -0.747 55.365 56.100 0.020 0.000 0.843 619 R CB 0.385 30.683 30.300 -0.003 0.000 1.332 619 R HN -0.166 nan 8.270 nan 0.000 0.490 620 S N 1.140 116.812 115.700 -0.047 0.000 2.575 620 S HA 0.085 4.545 4.470 -0.018 0.000 0.295 620 S C -1.195 173.293 174.600 -0.186 0.000 1.267 620 S CA -0.753 57.386 58.200 -0.101 0.000 1.074 620 S CB 0.452 63.617 63.200 -0.059 0.000 0.829 620 S HN 0.518 nan 8.310 nan 0.000 0.497 621 P HA 0.075 nan 4.420 nan 0.000 0.249 621 P C 0.631 177.818 177.300 -0.189 0.000 1.229 621 P CA 0.302 63.119 63.100 -0.472 0.000 0.788 621 P CB -0.218 30.729 31.700 -1.254 0.000 1.072 622 V N -4.192 115.657 119.914 -0.108 0.000 3.121 622 V HA 0.218 4.327 4.120 -0.018 0.000 0.344 622 V C 1.665 177.776 176.094 0.027 0.000 1.390 622 V CA -0.085 62.205 62.300 -0.017 0.000 1.177 622 V CB -0.873 30.965 31.823 0.024 0.000 1.163 622 V HN -0.119 nan 8.190 nan 0.000 0.484 623 L N 1.299 122.530 121.223 0.013 0.000 2.291 623 L HA -0.011 4.319 4.340 -0.018 0.000 0.214 623 L C 2.153 179.059 176.870 0.060 0.000 1.120 623 L CA 1.558 56.429 54.840 0.051 0.000 0.799 623 L CB -0.348 41.718 42.059 0.012 0.000 0.925 623 L HN 0.555 nan 8.230 nan 0.000 0.446 624 D N -0.598 119.818 120.400 0.026 0.000 2.340 624 D HA -0.019 4.610 4.640 -0.018 0.000 0.220 624 D C 0.668 176.974 176.300 0.011 0.000 1.039 624 D CA 0.034 54.045 54.000 0.017 0.000 0.866 624 D CB -0.285 40.513 40.800 -0.003 0.000 0.913 624 D HN 0.019 nan 8.370 nan 0.000 0.523 625 V N 3.510 123.436 119.914 0.020 0.000 2.479 625 V HA 0.143 4.252 4.120 -0.018 0.000 0.281 625 V C -1.440 174.653 176.094 -0.003 0.000 1.031 625 V CA -1.018 61.283 62.300 0.001 0.000 1.038 625 V CB 0.697 32.525 31.823 0.009 0.000 0.981 625 V HN 0.167 nan 8.190 nan 0.000 0.478 626 P HA 0.188 nan 4.420 nan 0.000 0.286 626 P C 0.816 178.086 177.300 -0.049 0.000 1.293 626 P CA 0.110 63.198 63.100 -0.021 0.000 0.770 626 P CB 0.762 32.452 31.700 -0.016 0.000 1.206 627 A N 0.565 123.354 122.820 -0.051 0.000 1.891 627 A HA -0.294 4.015 4.320 -0.018 0.000 0.221 627 A C 0.921 178.462 177.584 -0.071 0.000 1.394 627 A CA 2.220 54.215 52.037 -0.070 0.000 0.730 627 A CB -1.894 17.081 19.000 -0.042 0.000 0.845 627 A HN 0.810 nan 8.150 nan 0.000 0.471 628 N N 0.000 118.677 118.700 -0.038 0.000 1.763 628 N HA 0.000 4.729 4.740 -0.018 0.000 0.220 628 N CA 0.000 53.037 53.050 -0.021 0.000 0.885 628 N CB 0.000 38.483 38.487 -0.007 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667