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 2e2t_1_A DATA FIRST_RESID 9 DATA SEQUENCE ASPFRLASAG EISEVQGILR TAGLLGPEKR IAYLGVLDPA RGAGSEAEDR DATA SEQUENCE RFRVFIHDVS GARPQEVTVS VTNGTVISAV ELDTAATGEL PVLEEEFEVV DATA SEQUENCE EQLLATDERW LKALAARNLD VSKVRVAPLS AGVFEYAEER GRRILRGLAF DATA SEQUENCE VQDFPEDSAW AHPVDGLVAY VDVVSKEVTR VIDTGVFPVP AEHGNYTDPE DATA SEQUENCE LTGPLRTTQK PISITQPEGP SFTVTGGNHI EWEKWSLDVG FDVREGVVLH DATA SEQUENCE NIAFRDGDRL RPIINRASIA EMVVPYGDPS PIRSWQNYFD TGEYLVGQYA DATA SEQUENCE NSLELGCDcL GDITYLSPVI SDAFGNPREI RNGIcMHEED WGILAKHSDL DATA SEQUENCE WSGINYTRRN RRMVISFFTT IGNXDYGFYW YLYLDGTIEF EAKATGVVFT DATA SEQUENCE SAFPEGGSDN ISQLAPGLGA PFHQHIFSAR LDMAIDGFTN RVEEEDVVRQ DATA SEQUENCE TMGPGNERGN AFSRKRTVLT RESEAVREAD ARTGRTWIIS NPESKNRLNE DATA SEQUENCE PVGYKLHAHN QPTLLADPGS SIARRAAFAT KDLWVTRYAD DERYPTGDFV DATA SEQUENCE NQHSGGAGLP SYIAQDRDID GQDIVVWHTF GLTHFPRVED WPIMPVDTVG DATA SEQUENCE FKLRPEGFFD RSPVLDVPAN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.578 177.584 -0.010 0.000 1.274 9 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 9 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 10 S N 1.478 117.181 115.700 0.005 0.000 2.546 10 S HA 0.329 4.778 4.470 -0.035 0.000 0.290 10 S C -1.280 173.301 174.600 -0.032 0.000 1.290 10 S CA -0.223 57.992 58.200 0.024 0.000 1.069 10 S CB 0.765 64.015 63.200 0.083 0.000 0.846 10 S HN 0.202 nan 8.310 nan 0.000 0.495 11 P HA 0.094 nan 4.420 nan 0.000 0.233 11 P C 0.007 176.967 177.300 -0.566 0.000 1.167 11 P CA 0.765 63.647 63.100 -0.363 0.000 0.770 11 P CB 0.057 31.455 31.700 -0.504 0.000 0.837 12 F N -0.335 119.549 119.950 -0.109 0.000 2.641 12 F HA 0.190 4.696 4.527 -0.035 0.000 0.302 12 F C 1.358 177.099 175.800 -0.100 0.000 1.098 12 F CA -0.721 57.172 58.000 -0.179 0.000 1.318 12 F CB -0.303 38.577 39.000 -0.200 0.000 1.035 12 F HN -0.180 nan 8.300 nan 0.000 0.551 13 R N 0.458 120.987 120.500 0.048 0.000 2.738 13 R HA 0.319 4.638 4.340 -0.035 0.000 0.268 13 R C -0.022 176.304 176.300 0.044 0.000 1.062 13 R CA -0.541 55.595 56.100 0.061 0.000 1.158 13 R CB 0.510 30.836 30.300 0.043 0.000 1.046 13 R HN 0.139 nan 8.270 nan 0.000 0.493 14 L N 1.160 122.421 121.223 0.063 0.000 2.479 14 L HA 0.137 4.455 4.340 -0.035 0.000 0.270 14 L C 0.783 177.697 176.870 0.073 0.000 1.236 14 L CA -0.193 54.687 54.840 0.068 0.000 0.823 14 L CB 0.310 42.407 42.059 0.064 0.000 1.098 14 L HN 0.854 nan 8.230 nan 0.000 0.500 15 A N 1.462 124.342 122.820 0.100 0.000 2.425 15 A HA 0.432 4.730 4.320 -0.035 0.000 0.249 15 A C 0.180 177.834 177.584 0.117 0.000 1.084 15 A CA -0.304 51.839 52.037 0.176 0.000 0.781 15 A CB 0.312 19.476 19.000 0.274 0.000 1.019 15 A HN 0.732 nan 8.150 nan 0.000 0.490 16 S N 0.944 116.706 115.700 0.103 0.000 2.690 16 S HA 0.607 5.056 4.470 -0.035 0.000 0.291 16 S C 1.086 175.697 174.600 0.019 0.000 1.138 16 S CA -0.182 58.046 58.200 0.047 0.000 1.013 16 S CB 1.549 64.769 63.200 0.033 0.000 1.053 16 S HN 1.527 nan 8.310 nan 0.000 0.539 17 A N 1.375 124.197 122.820 0.003 0.000 1.972 17 A HA 0.152 4.451 4.320 -0.035 0.000 0.219 17 A C 2.067 179.629 177.584 -0.036 0.000 1.169 17 A CA 1.604 53.633 52.037 -0.013 0.000 0.635 17 A CB -1.660 17.334 19.000 -0.009 0.000 0.810 17 A HN 1.121 nan 8.150 nan 0.000 0.446 18 G N -0.469 108.312 108.800 -0.032 0.000 2.408 18 G HA2 -0.182 3.756 3.960 -0.035 0.000 0.217 18 G HA3 -0.182 3.756 3.960 -0.035 0.000 0.217 18 G C 1.417 176.262 174.900 -0.092 0.000 1.150 18 G CA 0.923 45.994 45.100 -0.048 0.000 0.776 18 G HN 0.653 nan 8.290 nan 0.000 0.542 19 E N -0.000 120.136 120.200 -0.106 0.000 2.072 19 E HA -0.073 4.256 4.350 -0.035 0.000 0.191 19 E C 2.534 178.886 176.600 -0.414 0.000 0.985 19 E CA 0.491 56.746 56.400 -0.242 0.000 0.801 19 E CB -0.054 29.553 29.700 -0.156 0.000 0.750 19 E HN 0.299 nan 8.360 nan 0.000 0.452 20 I N 1.125 121.525 120.570 -0.284 0.000 2.179 20 I HA -0.235 3.914 4.170 -0.035 0.000 0.242 20 I C 2.314 178.316 176.117 -0.193 0.000 1.088 20 I CA 1.260 62.406 61.300 -0.256 0.000 1.357 20 I CB -1.237 36.697 38.000 -0.109 0.000 1.051 20 I HN -0.004 nan 8.210 nan 0.000 0.409 21 S N 0.364 115.987 115.700 -0.128 0.000 2.383 21 S HA -0.224 4.225 4.470 -0.035 0.000 0.229 21 S C 1.909 176.447 174.600 -0.104 0.000 1.030 21 S CA 1.537 59.684 58.200 -0.088 0.000 1.002 21 S CB -0.204 62.961 63.200 -0.059 0.000 0.829 21 S HN 0.430 nan 8.310 nan 0.000 0.467 22 E N 1.210 121.326 120.200 -0.141 0.000 2.107 22 E HA -0.052 4.277 4.350 -0.035 0.000 0.191 22 E C 1.850 178.356 176.600 -0.157 0.000 0.982 22 E CA 0.751 57.072 56.400 -0.133 0.000 0.809 22 E CB -0.298 29.319 29.700 -0.139 0.000 0.756 22 E HN 0.238 nan 8.360 nan 0.000 0.459 23 V N 0.992 120.757 119.914 -0.249 0.000 2.343 23 V HA -0.278 3.821 4.120 -0.035 0.000 0.247 23 V C 2.580 178.603 176.094 -0.119 0.000 1.051 23 V CA 2.237 64.400 62.300 -0.229 0.000 1.036 23 V CB -0.624 30.989 31.823 -0.350 0.000 0.654 23 V HN 0.429 nan 8.190 nan 0.000 0.451 24 Q N 0.077 119.815 119.800 -0.104 0.000 2.061 24 Q HA -0.183 4.136 4.340 -0.035 0.000 0.204 24 Q C 2.232 178.212 176.000 -0.034 0.000 0.984 24 Q CA 2.147 57.922 55.803 -0.048 0.000 0.846 24 Q CB -0.480 28.239 28.738 -0.032 0.000 0.902 24 Q HN 0.644 nan 8.270 nan 0.000 0.421 25 G N 1.155 109.927 108.800 -0.046 0.000 2.402 25 G HA2 -0.193 3.746 3.960 -0.035 0.000 0.216 25 G HA3 -0.193 3.746 3.960 -0.035 0.000 0.216 25 G C 1.413 176.296 174.900 -0.028 0.000 1.162 25 G CA 0.708 45.788 45.100 -0.033 0.000 0.777 25 G HN 0.301 nan 8.290 nan 0.000 0.539 26 I N 1.084 121.631 120.570 -0.038 0.000 2.142 26 I HA -0.105 4.044 4.170 -0.035 0.000 0.240 26 I C 2.881 178.990 176.117 -0.012 0.000 1.078 26 I CA 0.891 62.176 61.300 -0.026 0.000 1.343 26 I CB -1.262 36.718 38.000 -0.033 0.000 1.046 26 I HN 0.154 nan 8.210 nan 0.000 0.405 27 L N -0.103 121.113 121.223 -0.011 0.000 2.079 27 L HA -0.211 4.108 4.340 -0.035 0.000 0.210 27 L C 2.812 179.687 176.870 0.008 0.000 1.081 27 L CA 1.316 56.160 54.840 0.005 0.000 0.752 27 L CB -0.606 41.460 42.059 0.011 0.000 0.896 27 L HN 0.203 nan 8.230 nan 0.000 0.433 28 R N -0.618 119.883 120.500 0.003 0.000 2.066 28 R HA -0.117 4.202 4.340 -0.035 0.000 0.232 28 R C 2.325 178.626 176.300 0.002 0.000 1.131 28 R CA 1.896 57.998 56.100 0.005 0.000 0.955 28 R CB -0.549 29.752 30.300 0.001 0.000 0.851 28 R HN 0.274 nan 8.270 nan 0.000 0.432 29 T N 0.563 115.115 114.554 -0.003 0.000 2.833 29 T HA -0.114 4.215 4.350 -0.035 0.000 0.269 29 T C 1.636 176.336 174.700 0.000 0.000 1.054 29 T CA 1.373 63.471 62.100 -0.003 0.000 1.135 29 T CB -0.087 68.778 68.868 -0.006 0.000 0.869 29 T HN 0.351 nan 8.240 nan 0.000 0.466 30 A N 0.196 123.018 122.820 0.003 0.000 2.238 30 A HA 0.509 4.808 4.320 -0.035 0.000 0.208 30 A C 1.933 179.522 177.584 0.008 0.000 1.177 30 A CA 0.826 52.867 52.037 0.007 0.000 0.804 30 A CB -0.678 18.329 19.000 0.010 0.000 0.823 30 A HN 0.692 nan 8.150 nan 0.000 0.482 31 G N -1.120 107.685 108.800 0.007 0.000 2.148 31 G HA2 -0.251 3.688 3.960 -0.035 0.000 0.254 31 G HA3 -0.251 3.688 3.960 -0.035 0.000 0.254 31 G C 0.617 175.524 174.900 0.011 0.000 0.981 31 G CA 0.516 45.621 45.100 0.008 0.000 0.670 31 G HN 0.504 nan 8.290 nan 0.000 0.528 32 L N -1.213 120.020 121.223 0.016 0.000 2.567 32 L HA 0.445 4.764 4.340 -0.035 0.000 0.225 32 L C 1.201 178.087 176.870 0.027 0.000 1.119 32 L CA 0.218 55.072 54.840 0.023 0.000 0.871 32 L CB 0.423 42.500 42.059 0.031 0.000 1.036 32 L HN 0.197 nan 8.230 nan 0.000 0.459 33 L N 0.517 121.755 121.223 0.025 0.000 2.678 33 L HA 0.486 4.804 4.340 -0.035 0.000 0.250 33 L C 0.665 177.556 176.870 0.035 0.000 1.455 33 L CA -0.187 54.674 54.840 0.035 0.000 0.823 33 L CB 0.432 42.514 42.059 0.038 0.000 1.107 33 L HN -0.060 nan 8.230 nan 0.000 0.514 34 G N 0.594 109.410 108.800 0.027 0.000 2.570 34 G HA2 0.277 4.215 3.960 -0.035 0.000 0.276 34 G HA3 0.277 4.215 3.960 -0.035 0.000 0.276 34 G C -1.623 173.299 174.900 0.038 0.000 1.346 34 G CA -0.623 44.491 45.100 0.023 0.000 1.034 34 G HN 0.373 nan 8.290 nan 0.000 0.512 35 P HA -0.031 nan 4.420 nan 0.000 0.219 35 P C 1.359 178.695 177.300 0.059 0.000 1.146 35 P CA 0.915 64.039 63.100 0.040 0.000 0.808 35 P CB 0.300 32.009 31.700 0.015 0.000 0.779 36 E N -0.880 119.339 120.200 0.033 0.000 2.489 36 E HA 0.042 4.371 4.350 -0.035 0.000 0.193 36 E C 0.334 176.934 176.600 0.001 0.000 1.057 36 E CA 0.543 56.952 56.400 0.015 0.000 0.866 36 E CB 0.029 29.719 29.700 -0.017 0.000 0.916 36 E HN 0.307 nan 8.360 nan 0.000 0.500 37 K N 1.359 121.777 120.400 0.030 0.000 2.118 37 K HA 0.356 4.655 4.320 -0.035 0.000 0.264 37 K C 0.427 177.063 176.600 0.060 0.000 1.000 37 K CA -0.432 55.869 56.287 0.024 0.000 0.929 37 K CB 1.366 33.888 32.500 0.035 0.000 1.021 37 K HN -0.167 nan 8.250 nan 0.000 0.463 38 R N 1.386 121.914 120.500 0.047 0.000 2.651 38 R HA 0.391 4.710 4.340 -0.035 0.000 0.278 38 R C -0.564 175.763 176.300 0.045 0.000 1.010 38 R CA -1.033 55.075 56.100 0.015 0.000 0.896 38 R CB 1.052 31.376 30.300 0.041 0.000 1.211 38 R HN 0.417 nan 8.270 nan 0.000 0.456 39 I N 2.139 122.700 120.570 -0.015 0.000 2.308 39 I HA 0.169 4.318 4.170 -0.035 0.000 0.293 39 I C 1.352 177.487 176.117 0.029 0.000 1.078 39 I CA 0.261 61.575 61.300 0.023 0.000 1.292 39 I CB 1.390 39.378 38.000 -0.021 0.000 1.423 39 I HN 0.788 nan 8.210 nan 0.000 0.493 40 A N 5.946 128.844 122.820 0.129 0.000 2.081 40 A HA 0.085 4.384 4.320 -0.035 0.000 0.214 40 A C 0.357 178.071 177.584 0.216 0.000 1.158 40 A CA 0.848 52.971 52.037 0.144 0.000 0.724 40 A CB 0.015 19.130 19.000 0.191 0.000 0.826 40 A HN 0.608 nan 8.150 nan 0.000 0.463 41 Y N -1.944 118.392 120.300 0.061 0.000 2.521 41 Y HA 0.572 5.100 4.550 -0.036 0.000 0.332 41 Y C -1.750 174.060 175.900 -0.150 0.000 1.121 41 Y CA -1.234 56.817 58.100 -0.083 0.000 1.037 41 Y CB 1.332 39.660 38.460 -0.220 0.000 1.330 41 Y HN 0.166 nan 8.280 nan 0.000 0.452 42 L N 5.240 125.756 121.223 -1.178 0.000 2.562 42 L HA 0.922 5.241 4.340 -0.035 0.000 0.266 42 L C -1.344 175.003 176.870 -0.872 0.000 0.949 42 L CA -0.166 54.208 54.840 -0.776 0.000 0.879 42 L CB 1.838 43.732 42.059 -0.276 0.000 1.278 42 L HN 0.937 nan 8.230 nan 0.000 0.404 43 G N 2.745 111.185 108.800 -0.600 0.000 2.690 43 G HA2 0.514 4.453 3.960 -0.035 0.000 0.293 43 G HA3 0.514 4.453 3.960 -0.035 0.000 0.293 43 G C -1.924 172.792 174.900 -0.305 0.000 1.399 43 G CA -0.581 44.322 45.100 -0.329 0.000 0.890 43 G HN 0.481 nan 8.290 nan 0.000 0.485 44 V N 1.440 121.046 119.914 -0.512 0.000 2.546 44 V HA 0.569 4.668 4.120 -0.035 0.000 0.284 44 V C 0.178 176.008 176.094 -0.441 0.000 1.050 44 V CA -0.621 61.110 62.300 -0.948 0.000 0.981 44 V CB 0.796 32.022 31.823 -0.996 0.000 0.990 44 V HN 0.569 nan 8.190 nan 0.000 0.474 45 L N 5.599 126.593 121.223 -0.383 0.000 2.371 45 L HA 0.420 4.739 4.340 -0.035 0.000 0.272 45 L C 0.163 176.913 176.870 -0.200 0.000 1.124 45 L CA -0.594 54.129 54.840 -0.195 0.000 0.816 45 L CB 0.787 42.769 42.059 -0.128 0.000 1.129 45 L HN 0.611 nan 8.230 nan 0.000 0.448 46 D N 2.473 122.804 120.400 -0.116 0.000 2.357 46 D HA 0.212 4.830 4.640 -0.035 0.000 0.242 46 D C -2.074 174.135 176.300 -0.152 0.000 1.153 46 D CA -0.966 52.962 54.000 -0.120 0.000 0.918 46 D CB 0.420 41.253 40.800 0.055 0.000 1.181 46 D HN 0.247 nan 8.370 nan 0.000 0.435 47 P HA 0.165 nan 4.420 nan 0.000 0.267 47 P C -0.682 176.576 177.300 -0.070 0.000 1.205 47 P CA -0.087 62.884 63.100 -0.215 0.000 0.765 47 P CB 0.499 31.981 31.700 -0.363 0.000 0.828 48 A N 4.075 126.864 122.820 -0.051 0.000 2.448 48 A HA 0.124 4.423 4.320 -0.035 0.000 0.239 48 A C 0.518 178.091 177.584 -0.018 0.000 1.080 48 A CA -0.199 51.831 52.037 -0.013 0.000 0.779 48 A CB 0.073 19.066 19.000 -0.012 0.000 1.026 48 A HN 0.400 nan 8.150 nan 0.000 0.499 49 R N 0.345 120.824 120.500 -0.035 0.000 2.502 49 R HA 0.304 4.622 4.340 -0.035 0.000 0.292 49 R C 0.767 177.045 176.300 -0.037 0.000 0.998 49 R CA 1.340 57.383 56.100 -0.095 0.000 1.056 49 R CB -0.718 29.472 30.300 -0.184 0.000 0.939 49 R HN 1.828 nan 8.270 nan 0.000 0.411 50 G N 1.747 110.547 108.800 0.000 0.000 2.830 50 G HA2 -0.112 3.826 3.960 -0.035 0.000 0.298 50 G HA3 -0.112 3.826 3.960 -0.035 0.000 0.298 50 G C 0.268 175.179 174.900 0.019 0.000 1.031 50 G CA -0.194 44.918 45.100 0.020 0.000 1.179 50 G HN 0.716 nan 8.290 nan 0.000 0.527 51 A N 1.078 123.919 122.820 0.035 0.000 2.412 51 A HA 0.608 4.907 4.320 -0.035 0.000 0.253 51 A C 2.256 179.849 177.584 0.015 0.000 1.334 51 A CA 1.362 53.410 52.037 0.018 0.000 0.929 51 A CB -0.184 18.835 19.000 0.032 0.000 0.983 51 A HN 2.047 nan 8.150 nan 0.000 0.508 52 G N 0.409 109.219 108.800 0.017 0.000 2.527 52 G HA2 -0.033 3.906 3.960 -0.035 0.000 0.219 52 G HA3 -0.033 3.906 3.960 -0.035 0.000 0.219 52 G C 0.865 175.769 174.900 0.006 0.000 1.117 52 G CA 0.979 46.087 45.100 0.014 0.000 0.759 52 G HN 0.845 nan 8.290 nan 0.000 0.556 53 S N 1.082 116.783 115.700 0.000 0.000 2.466 53 S HA 0.465 4.913 4.470 -0.035 0.000 0.313 53 S C -0.018 174.576 174.600 -0.009 0.000 1.078 53 S CA -0.875 57.322 58.200 -0.005 0.000 1.115 53 S CB 1.528 64.723 63.200 -0.008 0.000 1.006 53 S HN 0.168 nan 8.310 nan 0.000 0.487 54 E N 2.161 122.357 120.200 -0.007 0.000 2.504 54 E HA 0.257 4.586 4.350 -0.035 0.000 0.266 54 E C 0.709 177.299 176.600 -0.016 0.000 1.239 54 E CA 0.859 57.253 56.400 -0.010 0.000 1.064 54 E CB -0.093 29.604 29.700 -0.006 0.000 0.996 54 E HN 1.492 nan 8.360 nan 0.000 0.479 55 A N 1.249 124.057 122.820 -0.019 0.000 1.524 55 A HA -0.146 4.152 4.320 -0.035 0.000 0.196 55 A C 0.488 178.052 177.584 -0.034 0.000 1.263 55 A CA 0.923 52.946 52.037 -0.023 0.000 0.624 55 A CB -1.049 17.942 19.000 -0.016 0.000 1.151 55 A HN 0.490 nan 8.150 nan 0.000 0.179 56 E N 1.934 122.104 120.200 -0.050 0.000 2.392 56 E HA 0.390 4.718 4.350 -0.035 0.000 0.256 56 E C -0.320 176.248 176.600 -0.055 0.000 1.145 56 E CA 0.072 56.429 56.400 -0.073 0.000 0.929 56 E CB 0.719 30.348 29.700 -0.118 0.000 0.998 56 E HN 0.587 nan 8.360 nan 0.000 0.442 57 D N 1.489 121.853 120.400 -0.060 0.000 2.462 57 D HA 0.138 4.757 4.640 -0.035 0.000 0.249 57 D C -0.701 175.577 176.300 -0.036 0.000 1.117 57 D CA -0.610 53.370 54.000 -0.034 0.000 0.900 57 D CB 0.231 41.016 40.800 -0.025 0.000 1.039 57 D HN 0.163 nan 8.370 nan 0.000 0.516 58 R N 3.338 123.832 120.500 -0.010 0.000 2.457 58 R HA 0.163 4.481 4.340 -0.035 0.000 0.335 58 R C 0.261 176.625 176.300 0.107 0.000 1.003 58 R CA 0.171 56.285 56.100 0.024 0.000 1.003 58 R CB 0.029 30.395 30.300 0.109 0.000 0.950 58 R HN 0.383 nan 8.270 nan 0.000 0.428 59 R N 2.371 122.881 120.500 0.017 0.000 2.664 59 R HA 0.496 4.815 4.340 -0.035 0.000 0.286 59 R C -0.617 175.687 176.300 0.007 0.000 0.967 59 R CA -0.646 55.505 56.100 0.085 0.000 0.933 59 R CB 1.372 31.678 30.300 0.010 0.000 1.146 59 R HN 0.203 nan 8.270 nan 0.000 0.468 60 F N 0.499 120.428 119.950 -0.035 0.000 2.563 60 F HA 0.477 4.983 4.527 -0.036 0.000 0.316 60 F C 0.292 176.076 175.800 -0.027 0.000 1.076 60 F CA -0.855 57.117 58.000 -0.046 0.000 0.921 60 F CB 1.825 40.788 39.000 -0.062 0.000 1.209 60 F HN 0.174 nan 8.300 nan 0.000 0.462 61 R N 2.056 122.615 120.500 0.099 0.000 2.393 61 R HA 0.844 5.163 4.340 -0.035 0.000 0.310 61 R C -1.962 174.359 176.300 0.036 0.000 0.968 61 R CA -0.482 55.669 56.100 0.085 0.000 0.867 61 R CB 1.525 31.873 30.300 0.080 0.000 1.124 61 R HN 0.572 nan 8.270 nan 0.000 0.450 62 V N 4.769 124.733 119.914 0.082 0.000 2.841 62 V HA 0.498 4.597 4.120 -0.035 0.000 0.310 62 V C -1.166 175.106 176.094 0.297 0.000 1.090 62 V CA -0.816 61.528 62.300 0.073 0.000 0.930 62 V CB 2.032 33.903 31.823 0.081 0.000 1.014 62 V HN 0.568 nan 8.190 nan 0.000 0.425 63 F N 4.048 124.155 119.950 0.261 0.000 2.388 63 F HA 0.611 5.117 4.527 -0.036 0.000 0.358 63 F C 0.137 176.036 175.800 0.165 0.000 1.122 63 F CA -1.618 56.529 58.000 0.246 0.000 1.056 63 F CB 1.213 40.403 39.000 0.316 0.000 1.155 63 F HN 0.200 nan 8.300 nan 0.000 0.461 64 I N 4.020 124.775 120.570 0.309 0.000 2.330 64 I HA 0.192 4.341 4.170 -0.035 0.000 0.289 64 I C -0.179 176.038 176.117 0.168 0.000 1.001 64 I CA -0.680 60.735 61.300 0.192 0.000 1.193 64 I CB 1.096 39.171 38.000 0.124 0.000 1.345 64 I HN 0.520 nan 8.210 nan 0.000 0.461 65 H N 6.047 125.151 119.070 0.057 0.000 2.481 65 H HA 0.296 4.831 4.556 -0.035 0.000 0.339 65 H C -1.020 174.312 175.328 0.006 0.000 1.131 65 H CA -0.276 55.782 56.048 0.016 0.000 1.301 65 H CB 1.298 31.062 29.762 0.002 0.000 1.476 65 H HN 0.496 nan 8.280 nan 0.000 0.529 66 D N 4.272 124.257 120.400 -0.692 0.000 2.440 66 D HA 0.074 4.693 4.640 -0.035 0.000 0.239 66 D C 1.077 176.977 176.300 -0.667 0.000 1.084 66 D CA -0.466 53.243 54.000 -0.485 0.000 0.843 66 D CB 1.399 42.056 40.800 -0.238 0.000 1.097 66 D HN 0.507 nan 8.370 nan 0.000 0.531 67 V N 1.999 121.676 119.914 -0.396 0.000 3.241 67 V HA -0.055 4.044 4.120 -0.035 0.000 0.269 67 V C 1.716 177.748 176.094 -0.103 0.000 1.151 67 V CA 1.449 63.639 62.300 -0.182 0.000 1.158 67 V CB -0.176 31.634 31.823 -0.023 0.000 0.764 67 V HN 0.401 nan 8.190 nan 0.000 0.508 68 S N 0.159 115.789 115.700 -0.116 0.000 2.527 68 S HA 0.334 4.783 4.470 -0.035 0.000 0.222 68 S C 1.689 176.250 174.600 -0.065 0.000 0.985 68 S CA 1.141 59.301 58.200 -0.067 0.000 0.921 68 S CB -0.190 62.977 63.200 -0.055 0.000 0.772 68 S HN 1.573 nan 8.310 nan 0.000 0.529 69 G N 0.178 108.921 108.800 -0.095 0.000 2.195 69 G HA2 -0.120 3.819 3.960 -0.035 0.000 0.224 69 G HA3 -0.120 3.819 3.960 -0.035 0.000 0.224 69 G C 0.323 175.182 174.900 -0.068 0.000 0.990 69 G CA 0.056 45.117 45.100 -0.064 0.000 0.639 69 G HN 0.995 nan 8.290 nan 0.000 0.514 70 A N 0.249 123.019 122.820 -0.084 0.000 2.366 70 A HA 0.668 4.967 4.320 -0.035 0.000 0.250 70 A C 0.882 178.422 177.584 -0.075 0.000 1.099 70 A CA 0.292 52.287 52.037 -0.069 0.000 0.794 70 A CB 0.205 19.166 19.000 -0.065 0.000 1.056 70 A HN 0.530 nan 8.150 nan 0.000 0.499 71 R N 0.747 121.211 120.500 -0.060 0.000 2.543 71 R HA 0.273 4.592 4.340 -0.035 0.000 0.277 71 R C -2.162 174.104 176.300 -0.058 0.000 1.074 71 R CA -1.125 54.938 56.100 -0.061 0.000 1.076 71 R CB 0.238 30.502 30.300 -0.059 0.000 0.993 71 R HN 0.604 nan 8.270 nan 0.000 0.459 72 P HA 0.083 nan 4.420 nan 0.000 0.277 72 P C -1.151 176.130 177.300 -0.033 0.000 1.271 72 P CA -0.335 62.748 63.100 -0.028 0.000 0.795 72 P CB 0.957 32.644 31.700 -0.023 0.000 1.101 73 Q N -0.798 119.017 119.800 0.024 0.000 2.421 73 Q HA 0.387 4.706 4.340 -0.035 0.000 0.280 73 Q C -0.926 175.164 176.000 0.150 0.000 1.085 73 Q CA -0.728 55.105 55.803 0.051 0.000 0.807 73 Q CB 2.596 31.368 28.738 0.057 0.000 1.405 73 Q HN 0.460 nan 8.270 nan 0.000 0.419 74 E N 1.517 121.822 120.200 0.174 0.000 2.145 74 E HA 0.495 4.824 4.350 -0.035 0.000 0.270 74 E C -1.518 175.230 176.600 0.246 0.000 0.906 74 E CA -0.551 56.055 56.400 0.343 0.000 0.761 74 E CB 1.269 31.187 29.700 0.364 0.000 1.116 74 E HN 0.306 nan 8.360 nan 0.000 0.408 75 V N 3.532 123.596 119.914 0.250 0.000 2.656 75 V HA 0.409 4.508 4.120 -0.035 0.000 0.307 75 V C -0.308 175.875 176.094 0.148 0.000 1.051 75 V CA -0.813 61.584 62.300 0.161 0.000 0.893 75 V CB 2.216 34.113 31.823 0.124 0.000 0.999 75 V HN 0.752 nan 8.190 nan 0.000 0.426 76 T N 3.893 118.516 114.554 0.114 0.000 2.786 76 T HA 0.620 4.949 4.350 -0.035 0.000 0.283 76 T C -0.433 174.318 174.700 0.086 0.000 0.992 76 T CA -0.362 61.798 62.100 0.101 0.000 0.954 76 T CB 1.414 70.332 68.868 0.082 0.000 0.934 76 T HN 0.805 nan 8.240 nan 0.000 0.440 77 V N 1.253 121.227 119.914 0.101 0.000 2.864 77 V HA 0.893 4.992 4.120 -0.035 0.000 0.314 77 V C -0.181 175.972 176.094 0.099 0.000 1.073 77 V CA -0.828 61.520 62.300 0.080 0.000 0.956 77 V CB 2.173 34.028 31.823 0.053 0.000 1.023 77 V HN 0.739 nan 8.190 nan 0.000 0.435 78 S N 2.681 118.419 115.700 0.064 0.000 2.461 78 S HA 0.419 4.868 4.470 -0.035 0.000 0.322 78 S C 0.575 175.203 174.600 0.047 0.000 1.063 78 S CA -0.311 57.928 58.200 0.064 0.000 1.120 78 S CB 0.994 64.216 63.200 0.036 0.000 0.968 78 S HN 0.846 nan 8.310 nan 0.000 0.467 79 V N 5.137 125.094 119.914 0.071 0.000 2.667 79 V HA -0.078 4.021 4.120 -0.035 0.000 0.252 79 V C 2.502 178.602 176.094 0.010 0.000 1.065 79 V CA 2.077 64.381 62.300 0.006 0.000 1.083 79 V CB -0.976 30.833 31.823 -0.023 0.000 0.692 79 V HN 0.852 nan 8.190 nan 0.000 0.468 80 T N 0.805 115.377 114.554 0.030 0.000 2.708 80 T HA -0.139 4.190 4.350 -0.035 0.000 0.266 80 T C 1.604 176.307 174.700 0.004 0.000 1.037 80 T CA 1.690 63.799 62.100 0.014 0.000 1.146 80 T CB -0.261 68.614 68.868 0.012 0.000 0.865 80 T HN 0.474 nan 8.240 nan 0.000 0.435 81 N N 0.233 118.937 118.700 0.007 0.000 2.280 81 N HA 0.162 4.881 4.740 -0.035 0.000 0.192 81 N C 1.184 176.694 175.510 -0.001 0.000 1.109 81 N CA 0.558 53.609 53.050 0.002 0.000 0.855 81 N CB 0.458 38.948 38.487 0.005 0.000 0.974 81 N HN 0.501 nan 8.380 nan 0.000 0.482 82 G N 1.834 110.632 108.800 -0.004 0.000 2.295 82 G HA2 -0.267 3.672 3.960 -0.035 0.000 0.287 82 G HA3 -0.267 3.672 3.960 -0.035 0.000 0.287 82 G C 0.147 175.044 174.900 -0.005 0.000 1.055 82 G CA 1.043 46.137 45.100 -0.011 0.000 0.922 82 G HN 0.516 nan 8.290 nan 0.000 0.503 83 T N -4.100 110.456 114.554 0.003 0.000 2.865 83 T HA 0.690 5.019 4.350 -0.035 0.000 0.294 83 T C -0.405 174.305 174.700 0.016 0.000 1.119 83 T CA -0.589 61.516 62.100 0.008 0.000 1.007 83 T CB 2.652 71.525 68.868 0.010 0.000 1.225 83 T HN 0.778 nan 8.240 nan 0.000 0.515 84 V N 3.315 123.240 119.914 0.019 0.000 2.348 84 V HA 0.200 4.299 4.120 -0.035 0.000 0.270 84 V C 1.226 177.338 176.094 0.030 0.000 1.037 84 V CA -0.707 61.610 62.300 0.028 0.000 0.872 84 V CB 0.301 32.140 31.823 0.027 0.000 1.002 84 V HN 0.796 nan 8.190 nan 0.000 0.464 85 I N 3.357 123.950 120.570 0.037 0.000 2.142 85 I HA -0.047 4.102 4.170 -0.035 0.000 0.240 85 I C 1.106 177.244 176.117 0.035 0.000 1.078 85 I CA 1.398 62.719 61.300 0.034 0.000 1.343 85 I CB -0.589 37.433 38.000 0.037 0.000 1.046 85 I HN 0.787 nan 8.210 nan 0.000 0.405 86 S N -0.700 115.028 115.700 0.046 0.000 2.547 86 S HA 0.801 5.250 4.470 -0.035 0.000 0.270 86 S C -0.941 173.696 174.600 0.062 0.000 1.150 86 S CA -0.551 57.678 58.200 0.048 0.000 0.850 86 S CB 2.490 65.720 63.200 0.049 0.000 1.118 86 S HN 0.351 nan 8.310 nan 0.000 0.461 87 A N 1.549 124.402 122.820 0.056 0.000 2.414 87 A HA 0.745 5.044 4.320 -0.035 0.000 0.286 87 A C -1.199 176.417 177.584 0.053 0.000 1.073 87 A CA -0.697 51.377 52.037 0.063 0.000 0.727 87 A CB 1.353 20.383 19.000 0.050 0.000 1.215 87 A HN 1.215 nan 8.150 nan 0.000 0.430 88 V N 2.252 122.204 119.914 0.064 0.000 2.487 88 V HA 0.364 4.463 4.120 -0.035 0.000 0.298 88 V C 0.288 176.395 176.094 0.022 0.000 1.028 88 V CA -0.641 61.684 62.300 0.042 0.000 0.860 88 V CB 1.664 33.517 31.823 0.050 0.000 0.991 88 V HN 1.001 nan 8.190 nan 0.000 0.427 89 E N 3.784 123.984 120.200 -0.000 0.000 2.392 89 E HA 0.378 4.707 4.350 -0.035 0.000 0.264 89 E C -1.213 175.354 176.600 -0.056 0.000 1.024 89 E CA -0.288 56.098 56.400 -0.024 0.000 0.903 89 E CB 0.762 30.447 29.700 -0.025 0.000 0.963 89 E HN 0.534 nan 8.360 nan 0.000 0.432 90 L N 3.269 124.432 121.223 -0.100 0.000 2.331 90 L HA 0.302 4.621 4.340 -0.035 0.000 0.275 90 L C -0.237 176.531 176.870 -0.169 0.000 1.022 90 L CA -0.805 53.927 54.840 -0.180 0.000 0.812 90 L CB 1.546 43.407 42.059 -0.330 0.000 1.257 90 L HN 0.524 nan 8.230 nan 0.000 0.435 91 D N 0.595 120.891 120.400 -0.174 0.000 2.493 91 D HA 0.089 4.708 4.640 -0.035 0.000 0.235 91 D C 1.244 177.435 176.300 -0.182 0.000 1.117 91 D CA -0.306 53.609 54.000 -0.141 0.000 0.930 91 D CB 1.120 41.860 40.800 -0.101 0.000 1.010 91 D HN 0.661 nan 8.370 nan 0.000 0.514 92 T N 0.398 114.831 114.554 -0.200 0.000 2.803 92 T HA -0.205 4.124 4.350 -0.035 0.000 0.269 92 T C 1.894 176.498 174.700 -0.159 0.000 1.052 92 T CA 1.147 63.117 62.100 -0.217 0.000 1.136 92 T CB -0.182 68.576 68.868 -0.182 0.000 0.864 92 T HN 0.235 nan 8.240 nan 0.000 0.467 93 A N 1.310 124.053 122.820 -0.128 0.000 2.024 93 A HA 0.360 4.659 4.320 -0.035 0.000 0.220 93 A C 2.628 180.129 177.584 -0.138 0.000 1.164 93 A CA 1.805 53.772 52.037 -0.116 0.000 0.643 93 A CB -1.058 17.888 19.000 -0.090 0.000 0.806 93 A HN 0.814 nan 8.150 nan 0.000 0.451 94 A N -0.967 121.774 122.820 -0.132 0.000 1.919 94 A HA 0.133 4.432 4.320 -0.035 0.000 0.211 94 A C 2.236 179.749 177.584 -0.120 0.000 1.310 94 A CA 1.684 53.645 52.037 -0.127 0.000 0.651 94 A CB -0.892 18.057 19.000 -0.086 0.000 0.996 94 A HN 0.642 nan 8.150 nan 0.000 0.479 95 T N -2.941 111.571 114.554 -0.070 0.000 3.113 95 T HA 0.452 4.781 4.350 -0.035 0.000 0.256 95 T C 0.935 175.753 174.700 0.198 0.000 1.131 95 T CA 0.908 63.050 62.100 0.070 0.000 1.074 95 T CB -0.266 68.580 68.868 -0.036 0.000 0.944 95 T HN 1.936 nan 8.240 nan 0.000 0.516 96 G N 0.757 109.559 108.800 0.004 0.000 2.617 96 G HA2 0.070 4.009 3.960 -0.035 0.000 0.686 96 G HA3 0.070 4.009 3.960 -0.035 0.000 0.686 96 G C -1.157 173.660 174.900 -0.139 0.000 1.214 96 G CA -1.074 44.047 45.100 0.036 0.000 0.796 96 G HN 0.212 nan 8.290 nan 0.000 0.654 97 E N -0.052 120.098 120.200 -0.084 0.000 2.374 97 E HA 0.473 4.802 4.350 -0.035 0.000 0.260 97 E C 1.191 177.751 176.600 -0.066 0.000 1.101 97 E CA -0.446 55.885 56.400 -0.115 0.000 0.907 97 E CB 0.912 30.558 29.700 -0.091 0.000 1.014 97 E HN 0.499 nan 8.360 nan 0.000 0.427 98 L N 2.221 123.394 121.223 -0.085 0.000 2.472 98 L HA 0.194 4.513 4.340 -0.035 0.000 0.260 98 L C -1.908 174.965 176.870 0.005 0.000 1.209 98 L CA -1.769 53.080 54.840 0.016 0.000 0.817 98 L CB -0.148 41.921 42.059 0.017 0.000 1.106 98 L HN 0.170 nan 8.230 nan 0.000 0.479 99 P HA -0.035 nan 4.420 nan 0.000 0.266 99 P C -0.667 176.584 177.300 -0.082 0.000 1.193 99 P CA -0.210 62.906 63.100 0.026 0.000 0.770 99 P CB 0.359 32.131 31.700 0.120 0.000 0.836 100 V N 3.919 123.736 119.914 -0.162 0.000 2.655 100 V HA -0.028 4.070 4.120 -0.035 0.000 0.300 100 V C 0.832 176.743 176.094 -0.305 0.000 1.044 100 V CA 0.238 62.348 62.300 -0.317 0.000 1.095 100 V CB -0.285 31.260 31.823 -0.463 0.000 0.952 100 V HN 0.338 nan 8.190 nan 0.000 0.485 101 L N 3.316 124.302 121.223 -0.394 0.000 2.375 101 L HA 0.286 4.604 4.340 -0.035 0.000 0.271 101 L C 1.584 178.237 176.870 -0.362 0.000 1.107 101 L CA -0.069 54.605 54.840 -0.276 0.000 0.806 101 L CB 0.938 42.856 42.059 -0.235 0.000 1.146 101 L HN 0.767 nan 8.230 nan 0.000 0.447 102 E N 1.590 121.765 120.200 -0.042 0.000 2.110 102 E HA -0.241 4.088 4.350 -0.035 0.000 0.193 102 E C 1.593 178.269 176.600 0.128 0.000 0.988 102 E CA 1.618 58.158 56.400 0.232 0.000 0.804 102 E CB 0.215 30.116 29.700 0.335 0.000 0.745 102 E HN 0.775 nan 8.360 nan 0.000 0.458 103 E N 0.143 120.355 120.200 0.021 0.000 2.338 103 E HA -0.206 4.123 4.350 -0.035 0.000 0.197 103 E C 1.457 178.052 176.600 -0.010 0.000 1.007 103 E CA 1.019 57.442 56.400 0.038 0.000 0.849 103 E CB -0.098 29.618 29.700 0.027 0.000 0.774 103 E HN 0.349 nan 8.360 nan 0.000 0.506 104 E N -0.369 119.740 120.200 -0.152 0.000 2.435 104 E HA -0.025 4.304 4.350 -0.035 0.000 0.195 104 E C 1.080 177.599 176.600 -0.134 0.000 1.029 104 E CA 0.258 56.545 56.400 -0.189 0.000 0.865 104 E CB 0.010 29.517 29.700 -0.321 0.000 0.833 104 E HN 0.273 nan 8.360 nan 0.000 0.510 105 F N 1.232 121.218 119.950 0.062 0.000 2.187 105 F HA -0.045 4.461 4.527 -0.035 0.000 0.295 105 F C 2.031 177.869 175.800 0.062 0.000 1.091 105 F CA 0.929 58.976 58.000 0.077 0.000 1.308 105 F CB -0.292 38.777 39.000 0.115 0.000 1.030 105 F HN -0.070 nan 8.300 nan 0.000 0.487 106 E N 0.140 120.487 120.200 0.245 0.000 2.150 106 E HA -0.134 4.195 4.350 -0.035 0.000 0.193 106 E C 2.398 179.053 176.600 0.092 0.000 0.985 106 E CA 1.265 57.755 56.400 0.151 0.000 0.814 106 E CB -0.565 29.211 29.700 0.128 0.000 0.752 106 E HN 0.338 nan 8.360 nan 0.000 0.466 107 V N -1.657 118.300 119.914 0.071 0.000 2.594 107 V HA -0.194 3.905 4.120 -0.035 0.000 0.253 107 V C 1.959 178.053 176.094 0.001 0.000 1.069 107 V CA 1.244 63.562 62.300 0.029 0.000 1.082 107 V CB -0.643 31.189 31.823 0.015 0.000 0.680 107 V HN 0.092 nan 8.190 nan 0.000 0.469 108 V N 0.996 120.919 119.914 0.015 0.000 2.261 108 V HA -0.289 3.810 4.120 -0.035 0.000 0.246 108 V C 2.753 178.780 176.094 -0.112 0.000 1.047 108 V CA 2.692 64.969 62.300 -0.039 0.000 1.015 108 V CB -0.819 31.015 31.823 0.018 0.000 0.642 108 V HN 0.756 nan 8.190 nan 0.000 0.446 109 E N -0.392 119.776 120.200 -0.052 0.000 2.153 109 E HA -0.259 4.070 4.350 -0.035 0.000 0.194 109 E C 2.242 178.802 176.600 -0.066 0.000 0.988 109 E CA 1.320 57.677 56.400 -0.071 0.000 0.811 109 E CB -0.056 29.656 29.700 0.021 0.000 0.746 109 E HN 0.692 nan 8.360 nan 0.000 0.466 110 Q N 0.145 119.928 119.800 -0.028 0.000 2.046 110 Q HA -0.126 4.193 4.340 -0.035 0.000 0.200 110 Q C 2.449 178.425 176.000 -0.039 0.000 0.975 110 Q CA 1.302 57.097 55.803 -0.012 0.000 0.836 110 Q CB -0.019 28.725 28.738 0.010 0.000 0.896 110 Q HN 0.365 nan 8.270 nan 0.000 0.428 111 L N 0.346 121.529 121.223 -0.067 0.000 2.027 111 L HA -0.188 4.131 4.340 -0.035 0.000 0.206 111 L C 2.333 179.126 176.870 -0.128 0.000 1.074 111 L CA 0.906 55.700 54.840 -0.077 0.000 0.745 111 L CB -0.421 41.592 42.059 -0.078 0.000 0.898 111 L HN 0.253 nan 8.230 nan 0.000 0.433 112 L N -0.238 120.825 121.223 -0.267 0.000 2.131 112 L HA -0.204 4.115 4.340 -0.035 0.000 0.210 112 L C 2.869 179.613 176.870 -0.210 0.000 1.092 112 L CA 0.998 55.545 54.840 -0.488 0.000 0.759 112 L CB -0.776 40.541 42.059 -1.236 0.000 0.903 112 L HN 0.260 nan 8.230 nan 0.000 0.435 113 A N -0.039 122.740 122.820 -0.069 0.000 2.032 113 A HA -0.217 4.082 4.320 -0.035 0.000 0.221 113 A C 2.103 179.756 177.584 0.115 0.000 1.165 113 A CA 2.273 54.374 52.037 0.106 0.000 0.645 113 A CB -0.768 18.275 19.000 0.072 0.000 0.807 113 A HN 0.531 nan 8.150 nan 0.000 0.453 114 T N -3.279 111.311 114.554 0.060 0.000 3.174 114 T HA 0.203 4.532 4.350 -0.035 0.000 0.269 114 T C -0.015 174.723 174.700 0.063 0.000 1.017 114 T CA 0.014 62.150 62.100 0.060 0.000 0.899 114 T CB -0.083 68.806 68.868 0.035 0.000 1.077 114 T HN 0.360 nan 8.240 nan 0.000 0.552 115 D N 1.448 121.900 120.400 0.088 0.000 2.274 115 D HA 0.110 4.729 4.640 -0.035 0.000 0.239 115 D C 0.612 176.993 176.300 0.135 0.000 1.104 115 D CA -0.286 53.768 54.000 0.091 0.000 0.840 115 D CB 1.359 42.202 40.800 0.072 0.000 1.100 115 D HN -0.014 nan 8.370 nan 0.000 0.477 116 E N 3.628 123.880 120.200 0.087 0.000 2.130 116 E HA -0.205 4.124 4.350 -0.035 0.000 0.196 116 E C 1.825 178.473 176.600 0.080 0.000 0.998 116 E CA 1.075 57.518 56.400 0.073 0.000 0.806 116 E CB 0.017 29.744 29.700 0.045 0.000 0.738 116 E HN 0.589 nan 8.360 nan 0.000 0.459 117 R N -0.266 120.291 120.500 0.095 0.000 2.073 117 R HA -0.092 4.227 4.340 -0.035 0.000 0.234 117 R C 2.328 178.706 176.300 0.130 0.000 1.134 117 R CA 1.349 57.503 56.100 0.089 0.000 0.952 117 R CB -0.410 29.941 30.300 0.086 0.000 0.850 117 R HN 0.351 nan 8.270 nan 0.000 0.433 118 W N 1.564 122.850 121.300 -0.023 0.000 2.355 118 W HA -0.170 4.484 4.660 -0.009 0.000 0.309 118 W C 1.517 178.027 176.519 -0.014 0.000 1.206 118 W CA 1.314 58.646 57.345 -0.021 0.000 1.284 118 W CB -0.163 29.287 29.460 -0.016 0.000 1.145 118 W HN 0.091 nan 8.180 nan 0.000 0.502 119 L N 0.749 122.050 121.223 0.129 0.000 2.046 119 L HA -0.259 4.060 4.340 -0.035 0.000 0.208 119 L C 2.634 179.469 176.870 -0.059 0.000 1.077 119 L CA 1.752 56.601 54.840 0.016 0.000 0.747 119 L CB -0.964 41.136 42.059 0.068 0.000 0.896 119 L HN -0.084 nan 8.230 nan 0.000 0.432 120 K N 0.401 120.781 120.400 -0.033 0.000 2.097 120 K HA -0.173 4.126 4.320 -0.035 0.000 0.206 120 K C 2.121 178.661 176.600 -0.099 0.000 1.049 120 K CA 1.242 57.499 56.287 -0.049 0.000 0.933 120 K CB -0.031 32.455 32.500 -0.022 0.000 0.717 120 K HN 0.272 nan 8.250 nan 0.000 0.442 121 A N 1.239 123.967 122.820 -0.153 0.000 1.898 121 A HA -0.083 4.216 4.320 -0.035 0.000 0.216 121 A C 2.068 179.488 177.584 -0.273 0.000 1.181 121 A CA 1.083 52.988 52.037 -0.220 0.000 0.620 121 A CB -0.462 18.354 19.000 -0.307 0.000 0.819 121 A HN 0.292 nan 8.150 nan 0.000 0.442 122 L N -0.923 120.091 121.223 -0.348 0.000 2.072 122 L HA -0.130 4.189 4.340 -0.035 0.000 0.205 122 L C 3.063 179.834 176.870 -0.165 0.000 1.079 122 L CA 0.992 55.652 54.840 -0.299 0.000 0.752 122 L CB -0.622 41.245 42.059 -0.321 0.000 0.906 122 L HN 0.421 nan 8.230 nan 0.000 0.436 123 A N 0.257 123.003 122.820 -0.124 0.000 1.972 123 A HA -0.122 4.177 4.320 -0.035 0.000 0.219 123 A C 2.470 180.011 177.584 -0.073 0.000 1.169 123 A CA 1.563 53.553 52.037 -0.078 0.000 0.635 123 A CB -0.555 18.412 19.000 -0.055 0.000 0.810 123 A HN 0.395 nan 8.150 nan 0.000 0.446 124 A N -0.545 122.225 122.820 -0.084 0.000 2.121 124 A HA -0.051 4.248 4.320 -0.035 0.000 0.218 124 A C 2.025 179.568 177.584 -0.070 0.000 1.154 124 A CA 1.196 53.190 52.037 -0.070 0.000 0.679 124 A CB -0.259 18.697 19.000 -0.072 0.000 0.795 124 A HN 0.539 nan 8.150 nan 0.000 0.458 125 R N -0.708 119.740 120.500 -0.086 0.000 2.432 125 R HA 0.124 4.443 4.340 -0.035 0.000 0.260 125 R C -0.346 175.915 176.300 -0.066 0.000 0.935 125 R CA 0.034 56.089 56.100 -0.075 0.000 1.080 125 R CB 0.215 30.458 30.300 -0.094 0.000 1.155 125 R HN 0.426 nan 8.270 nan 0.000 0.531 126 N N 1.138 119.800 118.700 -0.063 0.000 2.740 126 N HA -0.186 4.533 4.740 -0.035 0.000 0.248 126 N C -0.942 174.536 175.510 -0.053 0.000 1.062 126 N CA 0.987 54.007 53.050 -0.050 0.000 0.704 126 N CB -1.312 37.153 38.487 -0.038 0.000 0.968 126 N HN 0.294 nan 8.380 nan 0.000 0.547 127 L N 0.174 121.356 121.223 -0.070 0.000 2.317 127 L HA 0.349 4.668 4.340 -0.035 0.000 0.281 127 L C 0.597 177.436 176.870 -0.051 0.000 1.024 127 L CA -0.890 53.910 54.840 -0.067 0.000 0.810 127 L CB 1.495 43.498 42.059 -0.094 0.000 1.240 127 L HN -0.093 nan 8.230 nan 0.000 0.427 128 D N 1.974 122.357 120.400 -0.029 0.000 2.325 128 D HA 0.025 4.644 4.640 -0.035 0.000 0.251 128 D C 0.788 177.094 176.300 0.009 0.000 1.196 128 D CA -0.065 53.930 54.000 -0.008 0.000 0.866 128 D CB 1.826 42.626 40.800 0.001 0.000 1.101 128 D HN 0.282 nan 8.370 nan 0.000 0.476 129 V N 3.895 123.824 119.914 0.025 0.000 2.546 129 V HA -0.264 3.834 4.120 -0.035 0.000 0.254 129 V C 1.952 178.097 176.094 0.085 0.000 1.076 129 V CA 2.901 65.247 62.300 0.076 0.000 1.087 129 V CB -0.553 31.336 31.823 0.110 0.000 0.674 129 V HN 0.731 nan 8.190 nan 0.000 0.470 130 S N -0.979 114.755 115.700 0.056 0.000 2.447 130 S HA -0.113 4.336 4.470 -0.035 0.000 0.233 130 S C 1.736 176.363 174.600 0.045 0.000 1.006 130 S CA 1.123 59.354 58.200 0.051 0.000 0.957 130 S CB -0.361 62.862 63.200 0.039 0.000 0.773 130 S HN 0.745 nan 8.310 nan 0.000 0.507 131 K N 0.720 121.142 120.400 0.037 0.000 2.358 131 K HA 0.297 4.596 4.320 -0.035 0.000 0.197 131 K C -0.649 175.968 176.600 0.029 0.000 1.025 131 K CA -0.066 56.235 56.287 0.023 0.000 1.104 131 K CB 0.765 33.270 32.500 0.008 0.000 0.855 131 K HN 0.198 nan 8.250 nan 0.000 0.531 132 V N 3.376 123.327 119.914 0.062 0.000 2.368 132 V HA 0.176 4.275 4.120 -0.035 0.000 0.266 132 V C 0.194 176.364 176.094 0.127 0.000 1.045 132 V CA -0.655 61.704 62.300 0.098 0.000 0.899 132 V CB 0.711 32.620 31.823 0.143 0.000 1.006 132 V HN 0.160 nan 8.190 nan 0.000 0.470 133 R N 3.427 123.985 120.500 0.096 0.000 2.457 133 R HA 0.619 4.938 4.340 -0.035 0.000 0.284 133 R C -0.840 175.558 176.300 0.163 0.000 1.024 133 R CA -0.537 55.608 56.100 0.075 0.000 1.025 133 R CB 1.871 32.146 30.300 -0.041 0.000 1.063 133 R HN 0.444 nan 8.270 nan 0.000 0.493 134 V N 1.920 121.923 119.914 0.149 0.000 2.407 134 V HA 0.386 4.485 4.120 -0.035 0.000 0.291 134 V C 0.007 176.220 176.094 0.197 0.000 1.018 134 V CA -1.137 61.285 62.300 0.203 0.000 0.842 134 V CB 1.628 33.516 31.823 0.108 0.000 0.996 134 V HN 0.839 nan 8.190 nan 0.000 0.426 135 A N 7.626 130.632 122.820 0.311 0.000 2.350 135 A HA 0.706 5.005 4.320 -0.035 0.000 0.293 135 A C -2.573 175.211 177.584 0.332 0.000 1.231 135 A CA -1.340 50.886 52.037 0.315 0.000 0.883 135 A CB 0.070 19.374 19.000 0.506 0.000 1.133 135 A HN 0.602 nan 8.150 nan 0.000 0.533 136 P HA 0.419 nan 4.420 nan 0.000 0.286 136 P C -0.700 176.872 177.300 0.453 0.000 1.321 136 P CA -0.019 63.293 63.100 0.354 0.000 0.790 136 P CB 0.670 32.655 31.700 0.475 0.000 0.897 137 L N 0.474 121.989 121.223 0.487 0.000 2.301 137 L HA 0.752 5.071 4.340 -0.035 0.000 0.264 137 L C 0.051 177.245 176.870 0.539 0.000 1.016 137 L CA -1.288 53.943 54.840 0.652 0.000 0.821 137 L CB 1.662 44.196 42.059 0.792 0.000 1.346 137 L HN 0.149 nan 8.230 nan 0.000 0.429 138 S N -0.022 116.044 115.700 0.611 0.000 2.558 138 S HA 0.260 4.709 4.470 -0.035 0.000 0.288 138 S C 0.946 175.738 174.600 0.319 0.000 1.318 138 S CA -0.097 58.320 58.200 0.362 0.000 1.056 138 S CB 1.311 64.754 63.200 0.405 0.000 0.853 138 S HN 0.896 nan 8.310 nan 0.000 0.505 139 A N 3.260 126.152 122.820 0.119 0.000 2.021 139 A HA 0.521 4.820 4.320 -0.035 0.000 0.216 139 A C 1.612 179.308 177.584 0.188 0.000 1.163 139 A CA 0.715 52.739 52.037 -0.022 0.000 0.676 139 A CB -1.476 17.392 19.000 -0.220 0.000 0.818 139 A HN 2.227 nan 8.150 nan 0.000 0.453 140 G N -1.662 107.267 108.800 0.214 0.000 2.539 140 G HA2 -0.101 3.837 3.960 -0.035 0.000 0.256 140 G HA3 -0.101 3.837 3.960 -0.035 0.000 0.256 140 G C -0.297 174.665 174.900 0.103 0.000 1.233 140 G CA -0.092 45.148 45.100 0.234 0.000 0.936 140 G HN 1.151 nan 8.290 nan 0.000 0.571 141 V N 0.747 120.618 119.914 -0.071 0.000 2.488 141 V HA 0.729 4.828 4.120 -0.035 0.000 0.293 141 V C -0.490 175.340 176.094 -0.439 0.000 1.027 141 V CA -0.343 61.864 62.300 -0.155 0.000 0.862 141 V CB 0.994 32.706 31.823 -0.185 0.000 1.008 141 V HN 0.738 nan 8.190 nan 0.000 0.428 142 F N 1.316 121.333 119.950 0.112 0.000 3.117 142 F HA 0.473 4.980 4.527 -0.033 0.000 0.345 142 F C 1.070 176.944 175.800 0.124 0.000 1.278 142 F CA -0.921 57.176 58.000 0.161 0.000 1.035 142 F CB 0.632 39.800 39.000 0.279 0.000 1.531 142 F HN 0.463 nan 8.300 nan 0.000 0.515 143 E N 1.126 121.473 120.200 0.244 0.000 2.651 143 E HA -0.067 4.262 4.350 -0.035 0.000 0.236 143 E C -1.452 174.952 176.600 -0.326 0.000 1.422 143 E CA 0.424 56.776 56.400 -0.080 0.000 1.534 143 E CB -1.212 28.394 29.700 -0.156 0.000 1.381 143 E HN 0.555 nan 8.360 nan 0.000 0.435 144 Y N -0.168 120.167 120.300 0.057 0.000 2.748 144 Y HA 0.461 4.990 4.550 -0.035 0.000 0.359 144 Y C 1.261 177.162 175.900 0.001 0.000 1.030 144 Y CA -0.527 57.588 58.100 0.024 0.000 1.169 144 Y CB 1.152 39.606 38.460 -0.010 0.000 1.127 144 Y HN 0.219 nan 8.280 nan 0.000 0.644 145 A N 0.900 123.766 122.820 0.077 0.000 2.131 145 A HA -0.254 4.045 4.320 -0.035 0.000 0.220 145 A C 2.076 179.687 177.584 0.046 0.000 1.158 145 A CA 1.922 53.983 52.037 0.039 0.000 0.665 145 A CB -0.360 18.646 19.000 0.009 0.000 0.795 145 A HN 0.847 nan 8.150 nan 0.000 0.460 146 E N 0.425 120.673 120.200 0.080 0.000 2.153 146 E HA -0.231 4.097 4.350 -0.035 0.000 0.194 146 E C 1.287 177.912 176.600 0.042 0.000 0.988 146 E CA 1.381 57.821 56.400 0.066 0.000 0.811 146 E CB -0.432 29.330 29.700 0.103 0.000 0.746 146 E HN 0.778 nan 8.360 nan 0.000 0.466 147 E N 0.773 121.001 120.200 0.047 0.000 2.481 147 E HA -0.007 4.322 4.350 -0.035 0.000 0.195 147 E C 0.590 177.179 176.600 -0.019 0.000 1.047 147 E CA -0.298 56.101 56.400 -0.002 0.000 0.867 147 E CB 0.007 29.689 29.700 -0.031 0.000 0.858 147 E HN 0.040 nan 8.360 nan 0.000 0.513 148 R N 1.233 121.726 120.500 -0.011 0.000 2.483 148 R HA -0.057 4.262 4.340 -0.035 0.000 0.329 148 R C 0.669 176.943 176.300 -0.043 0.000 0.961 148 R CA 1.121 57.201 56.100 -0.034 0.000 1.041 148 R CB -0.581 29.701 30.300 -0.030 0.000 0.930 148 R HN 0.392 nan 8.270 nan 0.000 0.413 149 G N 4.157 112.922 108.800 -0.060 0.000 2.143 149 G HA2 -0.301 3.638 3.960 -0.035 0.000 0.249 149 G HA3 -0.301 3.638 3.960 -0.035 0.000 0.249 149 G C -0.001 174.868 174.900 -0.051 0.000 0.981 149 G CA 0.346 45.408 45.100 -0.062 0.000 0.665 149 G HN 0.604 nan 8.290 nan 0.000 0.528 150 R N -0.521 119.951 120.500 -0.047 0.000 2.664 150 R HA 0.610 4.928 4.340 -0.035 0.000 0.286 150 R C 0.049 176.318 176.300 -0.052 0.000 0.967 150 R CA -0.990 55.086 56.100 -0.040 0.000 0.933 150 R CB 1.232 31.513 30.300 -0.031 0.000 1.146 150 R HN 0.145 nan 8.270 nan 0.000 0.468 151 R N 2.450 122.922 120.500 -0.047 0.000 2.296 151 R HA 0.313 4.632 4.340 -0.035 0.000 0.327 151 R C -0.309 175.948 176.300 -0.073 0.000 1.137 151 R CA 0.032 56.090 56.100 -0.071 0.000 1.020 151 R CB 0.137 30.389 30.300 -0.080 0.000 1.110 151 R HN 0.385 nan 8.270 nan 0.000 0.499 152 I N 4.012 124.531 120.570 -0.085 0.000 2.493 152 I HA 0.383 4.532 4.170 -0.035 0.000 0.298 152 I C -0.198 175.862 176.117 -0.095 0.000 0.998 152 I CA -0.872 60.371 61.300 -0.095 0.000 1.137 152 I CB 1.690 39.608 38.000 -0.137 0.000 1.310 152 I HN 0.312 nan 8.210 nan 0.000 0.445 153 L N 5.680 126.863 121.223 -0.067 0.000 2.362 153 L HA 0.570 4.889 4.340 -0.035 0.000 0.271 153 L C -0.465 176.386 176.870 -0.031 0.000 1.002 153 L CA -0.813 54.019 54.840 -0.014 0.000 0.818 153 L CB 2.087 44.176 42.059 0.051 0.000 1.298 153 L HN 0.519 nan 8.230 nan 0.000 0.420 154 R N 1.094 121.565 120.500 -0.048 0.000 2.407 154 R HA 0.624 4.943 4.340 -0.035 0.000 0.303 154 R C -0.129 176.231 176.300 0.100 0.000 0.981 154 R CA -0.649 55.398 56.100 -0.090 0.000 0.905 154 R CB 1.813 31.715 30.300 -0.664 0.000 1.099 154 R HN 0.758 nan 8.270 nan 0.000 0.459 155 G N 3.005 111.871 108.800 0.110 0.000 2.470 155 G HA2 0.560 4.499 3.960 -0.035 0.000 0.320 155 G HA3 0.560 4.499 3.960 -0.035 0.000 0.320 155 G C -0.772 174.311 174.900 0.306 0.000 1.245 155 G CA -0.618 44.593 45.100 0.184 0.000 0.935 155 G HN 0.305 nan 8.290 nan 0.000 0.476 156 L N 1.489 122.968 121.223 0.426 0.000 2.329 156 L HA 0.709 5.028 4.340 -0.035 0.000 0.279 156 L C 0.533 177.598 176.870 0.326 0.000 1.014 156 L CA -0.992 54.094 54.840 0.410 0.000 0.814 156 L CB 2.149 44.546 42.059 0.562 0.000 1.257 156 L HN 0.618 nan 8.230 nan 0.000 0.424 157 A N 2.927 125.816 122.820 0.114 0.000 2.303 157 A HA 0.843 5.142 4.320 -0.035 0.000 0.317 157 A C -1.180 176.136 177.584 -0.446 0.000 1.149 157 A CA -0.185 51.880 52.037 0.046 0.000 0.822 157 A CB 0.512 19.584 19.000 0.121 0.000 1.131 157 A HN 0.511 nan 8.150 nan 0.000 0.493 158 F N 0.732 120.667 119.950 -0.024 0.000 2.581 158 F HA 0.431 4.939 4.527 -0.031 0.000 0.311 158 F C -0.154 175.600 175.800 -0.078 0.000 1.113 158 F CA -0.672 57.263 58.000 -0.108 0.000 0.935 158 F CB 2.323 41.133 39.000 -0.317 0.000 1.232 158 F HN 0.318 nan 8.300 nan 0.000 0.445 159 V N 2.717 122.707 119.914 0.127 0.000 2.465 159 V HA 0.305 4.404 4.120 -0.035 0.000 0.279 159 V C -0.342 175.804 176.094 0.086 0.000 1.045 159 V CA -0.494 61.849 62.300 0.071 0.000 0.938 159 V CB 1.421 33.250 31.823 0.010 0.000 0.986 159 V HN 0.764 nan 8.190 nan 0.000 0.467 160 Q N 3.094 122.893 119.800 -0.002 0.000 2.413 160 Q HA 0.230 4.549 4.340 -0.035 0.000 0.258 160 Q C 0.095 176.044 176.000 -0.085 0.000 1.037 160 Q CA -0.638 55.122 55.803 -0.071 0.000 0.764 160 Q CB 1.170 29.836 28.738 -0.120 0.000 1.217 160 Q HN 0.780 nan 8.270 nan 0.000 0.490 161 D N 3.250 123.588 120.400 -0.102 0.000 2.123 161 D HA -0.081 4.538 4.640 -0.035 0.000 0.196 161 D C 0.269 176.662 176.300 0.155 0.000 0.992 161 D CA 1.493 55.506 54.000 0.021 0.000 0.833 161 D CB 0.063 40.948 40.800 0.141 0.000 0.954 161 D HN 0.455 nan 8.370 nan 0.000 0.455 162 F N -3.600 116.345 119.950 -0.008 0.000 2.643 162 F HA 0.419 4.920 4.527 -0.043 0.000 0.314 162 F C -2.161 173.629 175.800 -0.016 0.000 1.096 162 F CA -2.383 55.607 58.000 -0.016 0.000 0.953 162 F CB 0.480 39.464 39.000 -0.027 0.000 1.345 162 F HN -0.390 nan 8.300 nan 0.000 0.468 163 P HA -0.201 nan 4.420 nan 0.000 0.218 163 P C 0.166 177.453 177.300 -0.020 0.000 1.146 163 P CA 1.895 65.018 63.100 0.038 0.000 0.820 163 P CB 0.161 31.907 31.700 0.077 0.000 0.778 164 E N -0.962 119.260 120.200 0.036 0.000 2.476 164 E HA 0.104 4.433 4.350 -0.035 0.000 0.196 164 E C 0.110 176.515 176.600 -0.325 0.000 1.029 164 E CA -0.190 56.193 56.400 -0.028 0.000 0.896 164 E CB -0.464 29.331 29.700 0.158 0.000 1.012 164 E HN 0.275 nan 8.360 nan 0.000 0.475 165 D N 0.110 120.003 120.400 -0.845 0.000 2.341 165 D HA 0.082 4.701 4.640 -0.035 0.000 0.245 165 D C -0.484 175.559 176.300 -0.429 0.000 1.106 165 D CA -0.122 53.279 54.000 -0.998 0.000 0.905 165 D CB 0.975 40.929 40.800 -1.409 0.000 1.202 165 D HN -0.120 nan 8.370 nan 0.000 0.426 166 S N 2.190 117.720 115.700 -0.283 0.000 2.411 166 S HA 0.422 4.871 4.470 -0.035 0.000 0.304 166 S C 1.080 175.587 174.600 -0.156 0.000 1.098 166 S CA -0.207 57.906 58.200 -0.145 0.000 1.068 166 S CB 0.229 63.401 63.200 -0.046 0.000 1.032 166 S HN 0.515 nan 8.310 nan 0.000 0.511 167 A N 5.104 127.732 122.820 -0.320 0.000 1.978 167 A HA -0.073 4.226 4.320 -0.035 0.000 0.220 167 A C 1.488 178.928 177.584 -0.239 0.000 1.170 167 A CA 1.233 53.093 52.037 -0.295 0.000 0.636 167 A CB -0.858 17.860 19.000 -0.471 0.000 0.810 167 A HN 0.997 nan 8.150 nan 0.000 0.448 168 W N -0.132 121.125 121.300 -0.071 0.000 2.341 168 W HA -0.081 4.563 4.660 -0.027 0.000 0.283 168 W C 2.431 179.077 176.519 0.213 0.000 1.215 168 W CA 0.890 58.199 57.345 -0.060 0.000 1.211 168 W CB -0.240 29.178 29.460 -0.068 0.000 1.131 168 W HN 0.384 nan 8.180 nan 0.000 0.552 169 A N -0.610 122.390 122.820 0.300 0.000 2.119 169 A HA -0.068 4.231 4.320 -0.035 0.000 0.217 169 A C 0.257 177.710 177.584 -0.217 0.000 1.153 169 A CA 0.826 52.952 52.037 0.149 0.000 0.692 169 A CB -0.833 18.159 19.000 -0.014 0.000 0.799 169 A HN 0.488 nan 8.150 nan 0.000 0.458 170 H N -0.073 119.133 119.070 0.228 0.000 2.355 170 H HA 0.253 4.802 4.556 -0.012 0.000 0.232 170 H C -2.735 172.628 175.328 0.058 0.000 1.422 170 H CA -2.076 54.043 56.048 0.119 0.000 1.261 170 H CB 0.363 30.170 29.762 0.075 0.000 1.595 170 H HN 0.305 nan 8.280 nan 0.000 0.529 171 P HA -0.021 nan 4.420 nan 0.000 0.271 171 P C -0.009 177.127 177.300 -0.273 0.000 1.218 171 P CA -0.150 62.756 63.100 -0.323 0.000 0.780 171 P CB 2.071 33.638 31.700 -0.221 0.000 0.901 172 V N 3.407 123.077 119.914 -0.406 0.000 2.239 172 V HA 0.144 4.243 4.120 -0.035 0.000 0.267 172 V C 0.647 176.603 176.094 -0.229 0.000 1.056 172 V CA -0.353 61.805 62.300 -0.236 0.000 0.830 172 V CB 0.257 31.948 31.823 -0.220 0.000 1.090 172 V HN 0.534 nan 8.190 nan 0.000 0.459 173 D N 2.805 123.074 120.400 -0.218 0.000 2.360 173 D HA 0.352 4.971 4.640 -0.035 0.000 0.242 173 D C 1.333 177.524 176.300 -0.182 0.000 1.184 173 D CA 1.558 55.347 54.000 -0.352 0.000 0.930 173 D CB 1.685 42.016 40.800 -0.782 0.000 1.161 173 D HN 0.747 nan 8.370 nan 0.000 0.447 174 G N 0.294 108.963 108.800 -0.219 0.000 2.162 174 G HA2 -0.226 3.713 3.960 -0.035 0.000 0.260 174 G HA3 -0.226 3.713 3.960 -0.035 0.000 0.260 174 G C -0.093 174.838 174.900 0.052 0.000 0.976 174 G CA 0.641 45.795 45.100 0.090 0.000 0.655 174 G HN 0.475 nan 8.290 nan 0.000 0.533 175 L N -0.251 120.970 121.223 -0.002 0.000 2.431 175 L HA 0.932 5.251 4.340 -0.035 0.000 0.266 175 L C -0.735 176.190 176.870 0.091 0.000 0.978 175 L CA -0.983 53.857 54.840 0.001 0.000 0.822 175 L CB 2.461 44.450 42.059 -0.117 0.000 1.310 175 L HN 0.763 nan 8.230 nan 0.000 0.409 176 V N 3.737 123.724 119.914 0.121 0.000 3.000 176 V HA 0.962 5.061 4.120 -0.035 0.000 0.300 176 V C -1.468 174.619 176.094 -0.013 0.000 1.251 176 V CA 0.380 62.767 62.300 0.146 0.000 0.972 176 V CB 2.003 33.914 31.823 0.147 0.000 1.065 176 V HN 1.279 nan 8.190 nan 0.000 0.431 177 A N 4.864 127.670 122.820 -0.024 0.000 2.423 177 A HA 1.007 5.306 4.320 -0.035 0.000 0.304 177 A C -2.083 175.397 177.584 -0.174 0.000 1.104 177 A CA -0.503 51.406 52.037 -0.212 0.000 0.757 177 A CB 1.854 20.761 19.000 -0.156 0.000 1.313 177 A HN 0.945 nan 8.150 nan 0.000 0.423 178 Y N -0.170 120.027 120.300 -0.172 0.000 2.376 178 Y HA 0.609 5.139 4.550 -0.033 0.000 0.340 178 Y C -0.244 175.561 175.900 -0.159 0.000 0.965 178 Y CA -1.544 56.425 58.100 -0.218 0.000 1.078 178 Y CB 1.843 40.136 38.460 -0.278 0.000 1.193 178 Y HN 0.395 nan 8.280 nan 0.000 0.452 179 V N 2.577 122.500 119.914 0.015 0.000 2.709 179 V HA 0.303 4.402 4.120 -0.035 0.000 0.308 179 V C -0.770 175.305 176.094 -0.031 0.000 1.062 179 V CA -1.041 61.242 62.300 -0.028 0.000 0.901 179 V CB 2.389 34.174 31.823 -0.063 0.000 1.003 179 V HN 0.670 nan 8.190 nan 0.000 0.425 180 D N 2.928 123.312 120.400 -0.026 0.000 2.428 180 D HA 0.173 4.792 4.640 -0.035 0.000 0.221 180 D C 1.016 177.301 176.300 -0.025 0.000 1.123 180 D CA -0.256 53.729 54.000 -0.027 0.000 0.869 180 D CB 1.854 42.645 40.800 -0.016 0.000 1.032 180 D HN 0.468 nan 8.370 nan 0.000 0.506 181 V N 2.201 122.094 119.914 -0.034 0.000 3.241 181 V HA -0.089 4.010 4.120 -0.035 0.000 0.269 181 V C 1.487 177.580 176.094 -0.003 0.000 1.151 181 V CA 0.615 62.897 62.300 -0.031 0.000 1.158 181 V CB -0.468 31.315 31.823 -0.067 0.000 0.764 181 V HN 0.362 nan 8.190 nan 0.000 0.508 182 V N 1.284 121.203 119.914 0.009 0.000 2.490 182 V HA -0.038 4.061 4.120 -0.035 0.000 0.238 182 V C 2.742 178.845 176.094 0.015 0.000 1.056 182 V CA 1.697 64.018 62.300 0.035 0.000 1.075 182 V CB -0.147 31.706 31.823 0.050 0.000 0.746 182 V HN 0.693 nan 8.190 nan 0.000 0.479 183 S N -0.647 115.056 115.700 0.005 0.000 2.561 183 S HA -0.047 4.402 4.470 -0.035 0.000 0.225 183 S C 0.857 175.457 174.600 -0.001 0.000 0.977 183 S CA 0.225 58.425 58.200 0.001 0.000 0.926 183 S CB -0.544 62.654 63.200 -0.002 0.000 0.769 183 S HN 0.567 nan 8.310 nan 0.000 0.533 184 K N 1.722 122.120 120.400 -0.002 0.000 3.419 184 K HA -0.177 4.122 4.320 -0.035 0.000 0.272 184 K C -0.563 176.030 176.600 -0.011 0.000 0.973 184 K CA 1.164 57.447 56.287 -0.007 0.000 0.749 184 K CB -1.718 30.782 32.500 0.000 0.000 1.403 184 K HN 0.946 nan 8.250 nan 0.000 0.456 185 E N -1.597 118.594 120.200 -0.015 0.000 2.343 185 E HA 0.379 4.708 4.350 -0.035 0.000 0.278 185 E C -0.625 175.962 176.600 -0.022 0.000 0.910 185 E CA -1.230 55.161 56.400 -0.015 0.000 0.757 185 E CB 1.619 31.316 29.700 -0.005 0.000 1.218 185 E HN -0.054 nan 8.360 nan 0.000 0.435 186 V N 2.887 122.784 119.914 -0.028 0.000 2.439 186 V HA 0.016 4.115 4.120 -0.035 0.000 0.271 186 V C 1.534 177.621 176.094 -0.010 0.000 1.040 186 V CA 0.735 63.013 62.300 -0.037 0.000 1.002 186 V CB 0.454 32.245 31.823 -0.053 0.000 1.000 186 V HN 0.996 nan 8.190 nan 0.000 0.477 187 T N 3.147 117.704 114.554 0.006 0.000 2.894 187 T HA 0.131 4.459 4.350 -0.035 0.000 0.258 187 T C 0.785 175.506 174.700 0.034 0.000 1.043 187 T CA 0.437 62.557 62.100 0.034 0.000 1.141 187 T CB 0.231 69.136 68.868 0.063 0.000 0.873 187 T HN 0.574 nan 8.240 nan 0.000 0.449 188 R N -0.624 119.871 120.500 -0.008 0.000 2.680 188 R HA 0.687 5.006 4.340 -0.035 0.000 0.269 188 R C -2.152 174.020 176.300 -0.214 0.000 1.026 188 R CA -0.809 55.238 56.100 -0.089 0.000 0.889 188 R CB 2.834 33.089 30.300 -0.075 0.000 1.241 188 R HN 0.051 nan 8.270 nan 0.000 0.463 189 V N 3.759 123.588 119.914 -0.143 0.000 2.488 189 V HA 0.408 4.507 4.120 -0.035 0.000 0.293 189 V C -0.714 175.326 176.094 -0.090 0.000 1.027 189 V CA -0.744 61.507 62.300 -0.081 0.000 0.862 189 V CB 1.743 33.608 31.823 0.071 0.000 1.008 189 V HN 0.535 nan 8.190 nan 0.000 0.428 190 I N 3.792 124.278 120.570 -0.140 0.000 2.354 190 I HA 0.517 4.666 4.170 -0.035 0.000 0.292 190 I C -0.354 175.752 176.117 -0.018 0.000 0.989 190 I CA -0.188 61.066 61.300 -0.077 0.000 1.188 190 I CB 1.696 39.637 38.000 -0.099 0.000 1.342 190 I HN 0.576 nan 8.210 nan 0.000 0.457 191 D N 4.481 124.880 120.400 -0.001 0.000 2.469 191 D HA 0.189 4.808 4.640 -0.035 0.000 0.251 191 D C 0.823 177.142 176.300 0.033 0.000 1.173 191 D CA -0.190 53.815 54.000 0.008 0.000 0.882 191 D CB 1.554 42.344 40.800 -0.017 0.000 1.129 191 D HN 0.647 nan 8.370 nan 0.000 0.549 192 T N 0.374 114.972 114.554 0.073 0.000 3.107 192 T HA 0.471 4.800 4.350 -0.035 0.000 0.249 192 T C 0.874 175.632 174.700 0.097 0.000 1.096 192 T CA 0.337 62.494 62.100 0.095 0.000 1.012 192 T CB 0.178 69.128 68.868 0.138 0.000 0.977 192 T HN 0.582 nan 8.240 nan 0.000 0.527 193 G N 0.256 109.107 108.800 0.085 0.000 2.348 193 G HA2 0.265 4.204 3.960 -0.035 0.000 0.606 193 G HA3 0.265 4.204 3.960 -0.035 0.000 0.606 193 G C -1.101 173.821 174.900 0.037 0.000 1.466 193 G CA -0.702 44.400 45.100 0.005 0.000 0.950 193 G HN 0.335 nan 8.290 nan 0.000 0.657 194 V N 0.960 120.833 119.914 -0.068 0.000 2.715 194 V HA 0.590 4.689 4.120 -0.035 0.000 0.299 194 V C 0.036 176.046 176.094 -0.141 0.000 1.054 194 V CA 0.330 62.610 62.300 -0.033 0.000 1.077 194 V CB 0.712 32.495 31.823 -0.066 0.000 0.972 194 V HN 0.555 nan 8.190 nan 0.000 0.484 195 F N 3.622 123.537 119.950 -0.057 0.000 2.540 195 F HA 0.533 5.032 4.527 -0.047 0.000 0.317 195 F C -2.110 173.665 175.800 -0.042 0.000 1.104 195 F CA -2.441 55.530 58.000 -0.048 0.000 0.913 195 F CB 1.752 40.722 39.000 -0.050 0.000 1.170 195 F HN 0.326 nan 8.300 nan 0.000 0.450 196 P HA 0.083 nan 4.420 nan 0.000 0.264 196 P C -0.767 176.588 177.300 0.091 0.000 1.193 196 P CA -0.061 63.086 63.100 0.078 0.000 0.763 196 P CB 0.455 32.193 31.700 0.063 0.000 0.810 197 V N 7.296 127.245 119.914 0.058 0.000 2.427 197 V HA 0.120 4.219 4.120 -0.035 0.000 0.268 197 V C -1.778 174.375 176.094 0.097 0.000 1.046 197 V CA -1.431 60.904 62.300 0.059 0.000 0.970 197 V CB 0.240 32.079 31.823 0.027 0.000 1.001 197 V HN 0.577 nan 8.190 nan 0.000 0.476 198 P HA -0.005 nan 4.420 nan 0.000 0.261 198 P C 0.443 177.906 177.300 0.270 0.000 1.173 198 P CA 0.461 63.644 63.100 0.139 0.000 0.760 198 P CB 0.737 32.483 31.700 0.076 0.000 0.783 199 A N 3.538 126.480 122.820 0.204 0.000 1.956 199 A HA -0.008 4.291 4.320 -0.035 0.000 0.212 199 A C 0.862 178.637 177.584 0.318 0.000 1.188 199 A CA 0.449 52.618 52.037 0.219 0.000 0.675 199 A CB -0.510 18.559 19.000 0.115 0.000 0.845 199 A HN 0.551 nan 8.150 nan 0.000 0.455 200 E N 0.617 120.954 120.200 0.228 0.000 2.481 200 E HA 0.149 4.478 4.350 -0.035 0.000 0.263 200 E C -0.250 176.520 176.600 0.284 0.000 0.992 200 E CA 0.162 56.676 56.400 0.190 0.000 0.938 200 E CB 0.256 30.024 29.700 0.114 0.000 0.933 200 E HN 0.757 nan 8.360 nan 0.000 0.453 201 H N -0.511 118.729 119.070 0.284 0.000 2.488 201 H HA 0.497 5.029 4.556 -0.040 0.000 0.347 201 H C 0.363 175.780 175.328 0.148 0.000 1.174 201 H CA -0.932 55.247 56.048 0.218 0.000 1.307 201 H CB 1.360 31.271 29.762 0.248 0.000 1.517 201 H HN 0.455 nan 8.280 nan 0.000 0.554 202 G N 1.660 110.613 108.800 0.255 0.000 4.547 202 G HA2 0.059 3.998 3.960 -0.035 0.000 0.301 202 G HA3 0.059 3.998 3.960 -0.035 0.000 0.301 202 G C -0.677 174.211 174.900 -0.019 0.000 1.240 202 G CA -0.698 44.403 45.100 0.002 0.000 0.970 202 G HN 0.637 nan 8.290 nan 0.000 0.574 203 N N 1.688 120.536 118.700 0.246 0.000 2.448 203 N HA 0.100 4.819 4.740 -0.035 0.000 0.250 203 N C 0.644 176.065 175.510 -0.148 0.000 1.136 203 N CA -0.354 52.597 53.050 -0.165 0.000 0.953 203 N CB 0.682 39.057 38.487 -0.187 0.000 1.251 203 N HN 0.551 nan 8.380 nan 0.000 0.502 204 Y N -0.384 119.905 120.300 -0.018 0.000 2.632 204 Y HA 0.057 4.586 4.550 -0.034 0.000 0.301 204 Y C 1.587 177.479 175.900 -0.012 0.000 1.172 204 Y CA 0.022 58.099 58.100 -0.039 0.000 1.328 204 Y CB -0.547 37.851 38.460 -0.104 0.000 1.016 204 Y HN 0.286 nan 8.280 nan 0.000 0.529 205 T N -4.035 110.477 114.554 -0.070 0.000 3.085 205 T HA 0.087 4.416 4.350 -0.035 0.000 0.264 205 T C -0.078 174.617 174.700 -0.008 0.000 1.019 205 T CA -0.358 61.743 62.100 0.003 0.000 0.910 205 T CB -0.112 68.745 68.868 -0.019 0.000 1.059 205 T HN 0.192 nan 8.240 nan 0.000 0.542 206 D N 2.448 122.845 120.400 -0.006 0.000 2.295 206 D HA 0.281 4.900 4.640 -0.035 0.000 0.248 206 D C -1.737 174.590 176.300 0.045 0.000 1.154 206 D CA -2.414 51.590 54.000 0.007 0.000 0.857 206 D CB 2.041 42.837 40.800 -0.006 0.000 1.117 206 D HN -0.036 nan 8.370 nan 0.000 0.468 207 P HA -0.158 nan 4.420 nan 0.000 0.218 207 P C 0.926 178.255 177.300 0.048 0.000 1.146 207 P CA 1.153 64.273 63.100 0.033 0.000 0.813 207 P CB 0.127 31.837 31.700 0.017 0.000 0.778 208 E N -1.053 119.187 120.200 0.066 0.000 2.274 208 E HA -0.123 4.206 4.350 -0.035 0.000 0.194 208 E C 1.693 178.354 176.600 0.102 0.000 0.996 208 E CA 0.639 57.090 56.400 0.084 0.000 0.840 208 E CB -0.714 29.050 29.700 0.108 0.000 0.772 208 E HN 0.168 nan 8.360 nan 0.000 0.491 209 L N 1.103 122.400 121.223 0.125 0.000 2.388 209 L HA 0.097 4.416 4.340 -0.035 0.000 0.209 209 L C 2.298 179.210 176.870 0.070 0.000 1.061 209 L CA 1.719 56.621 54.840 0.104 0.000 0.834 209 L CB 0.002 42.156 42.059 0.159 0.000 1.029 209 L HN 0.312 nan 8.230 nan 0.000 0.473 210 T N -2.745 111.850 114.554 0.069 0.000 2.978 210 T HA 0.393 4.722 4.350 -0.035 0.000 0.262 210 T C 1.203 175.926 174.700 0.038 0.000 1.063 210 T CA 0.501 62.632 62.100 0.051 0.000 1.140 210 T CB -0.682 68.216 68.868 0.052 0.000 0.886 210 T HN 0.691 nan 8.240 nan 0.000 0.470 211 G N 1.951 110.775 108.800 0.039 0.000 2.741 211 G HA2 -0.063 3.876 3.960 -0.035 0.000 0.222 211 G HA3 -0.063 3.876 3.960 -0.035 0.000 0.222 211 G C -2.850 172.065 174.900 0.024 0.000 1.364 211 G CA -0.722 44.396 45.100 0.030 0.000 0.866 211 G HN 0.522 nan 8.290 nan 0.000 0.555 212 P HA 0.401 nan 4.420 nan 0.000 0.267 212 P C 0.220 177.528 177.300 0.014 0.000 1.209 212 P CA -0.439 62.670 63.100 0.015 0.000 0.763 212 P CB 0.476 32.184 31.700 0.012 0.000 0.816 213 L N 4.254 125.486 121.223 0.014 0.000 2.461 213 L HA 0.100 4.419 4.340 -0.035 0.000 0.272 213 L C 1.253 178.129 176.870 0.009 0.000 1.197 213 L CA 0.415 55.262 54.840 0.012 0.000 0.836 213 L CB -0.133 41.933 42.059 0.012 0.000 1.105 213 L HN 0.335 nan 8.230 nan 0.000 0.477 214 R N 0.897 121.402 120.500 0.007 0.000 2.679 214 R HA 0.205 4.524 4.340 -0.035 0.000 0.268 214 R C 0.506 176.808 176.300 0.004 0.000 1.044 214 R CA 0.644 56.747 56.100 0.004 0.000 1.105 214 R CB 0.047 30.348 30.300 0.002 0.000 0.989 214 R HN 0.782 nan 8.270 nan 0.000 0.447 215 T N -4.089 110.467 114.554 0.003 0.000 3.170 215 T HA 0.006 4.335 4.350 -0.035 0.000 0.288 215 T C 1.165 175.866 174.700 0.001 0.000 0.992 215 T CA -0.061 62.041 62.100 0.002 0.000 0.909 215 T CB 0.336 69.206 68.868 0.003 0.000 1.133 215 T HN 0.672 nan 8.240 nan 0.000 0.530 216 T N -0.661 113.893 114.554 0.000 0.000 3.081 216 T HA 0.175 4.504 4.350 -0.035 0.000 0.255 216 T C 0.701 175.400 174.700 -0.002 0.000 1.113 216 T CA -0.047 62.052 62.100 -0.001 0.000 1.082 216 T CB -0.312 68.555 68.868 -0.002 0.000 0.939 216 T HN 0.425 nan 8.240 nan 0.000 0.506 217 Q N 2.054 121.852 119.800 -0.002 0.000 2.323 217 Q HA 0.279 4.598 4.340 -0.035 0.000 0.257 217 Q C -0.411 175.587 176.000 -0.002 0.000 1.022 217 Q CA -0.400 55.401 55.803 -0.003 0.000 0.919 217 Q CB 0.778 29.514 28.738 -0.004 0.000 1.220 217 Q HN 0.176 nan 8.270 nan 0.000 0.427 218 K N 3.560 123.959 120.400 -0.003 0.000 2.185 218 K HA 0.368 4.667 4.320 -0.035 0.000 0.271 218 K C -1.954 174.645 176.600 -0.002 0.000 1.013 218 K CA -1.732 54.553 56.287 -0.002 0.000 0.943 218 K CB 0.186 32.684 32.500 -0.003 0.000 0.998 218 K HN 0.504 nan 8.250 nan 0.000 0.468 219 P HA 0.252 nan 4.420 nan 0.000 0.272 219 P C -0.463 176.838 177.300 0.001 0.000 1.223 219 P CA -0.117 62.984 63.100 0.001 0.000 0.784 219 P CB 0.664 32.366 31.700 0.003 0.000 0.923 220 I N 1.027 121.598 120.570 0.002 0.000 2.410 220 I HA 0.145 4.294 4.170 -0.035 0.000 0.286 220 I C 0.316 176.437 176.117 0.007 0.000 1.009 220 I CA -0.546 60.756 61.300 0.004 0.000 1.111 220 I CB 1.751 39.752 38.000 0.003 0.000 1.262 220 I HN 0.291 nan 8.210 nan 0.000 0.443 221 S N 7.715 123.420 115.700 0.008 0.000 2.429 221 S HA 0.647 5.096 4.470 -0.035 0.000 0.302 221 S C -0.596 174.014 174.600 0.016 0.000 1.115 221 S CA -0.456 57.750 58.200 0.011 0.000 1.095 221 S CB 0.424 63.630 63.200 0.010 0.000 0.987 221 S HN 0.444 nan 8.310 nan 0.000 0.474 222 I N 5.070 125.652 120.570 0.019 0.000 2.382 222 I HA 0.403 4.552 4.170 -0.035 0.000 0.286 222 I C 0.059 176.193 176.117 0.027 0.000 1.002 222 I CA -0.424 60.893 61.300 0.028 0.000 1.135 222 I CB 1.951 39.971 38.000 0.035 0.000 1.288 222 I HN 0.716 nan 8.210 nan 0.000 0.448 223 T N 1.842 116.415 114.554 0.031 0.000 2.864 223 T HA 0.494 4.823 4.350 -0.035 0.000 0.299 223 T C -0.839 173.881 174.700 0.033 0.000 1.166 223 T CA -0.887 61.230 62.100 0.028 0.000 1.007 223 T CB 2.310 71.190 68.868 0.020 0.000 1.219 223 T HN 0.512 nan 8.240 nan 0.000 0.506 224 Q N 1.533 121.350 119.800 0.027 0.000 2.771 224 Q HA 0.272 4.591 4.340 -0.035 0.000 0.247 224 Q C -1.863 174.143 176.000 0.011 0.000 0.986 224 Q CA -2.101 53.717 55.803 0.025 0.000 0.713 224 Q CB 2.024 30.778 28.738 0.027 0.000 1.241 224 Q HN 0.568 nan 8.270 nan 0.000 0.488 225 P HA -0.216 nan 4.420 nan 0.000 0.217 225 P C 0.077 177.378 177.300 0.001 0.000 1.148 225 P CA 1.456 64.560 63.100 0.007 0.000 0.834 225 P CB 0.455 32.160 31.700 0.009 0.000 0.783 226 E N -0.471 119.729 120.200 -0.000 0.000 2.501 226 E HA 0.379 4.708 4.350 -0.035 0.000 0.200 226 E C 0.892 177.479 176.600 -0.022 0.000 1.016 226 E CA 0.004 56.399 56.400 -0.008 0.000 0.921 226 E CB 0.155 29.853 29.700 -0.004 0.000 1.034 226 E HN 0.225 nan 8.360 nan 0.000 0.468 227 G N 3.084 111.868 108.800 -0.028 0.000 2.796 227 G HA2 -0.196 3.743 3.960 -0.035 0.000 0.571 227 G HA3 -0.196 3.743 3.960 -0.035 0.000 0.571 227 G C -2.697 172.148 174.900 -0.092 0.000 1.370 227 G CA -0.889 44.173 45.100 -0.063 0.000 0.856 227 G HN 0.019 nan 8.290 nan 0.000 0.538 228 P HA 0.334 nan 4.420 nan 0.000 0.272 228 P C 0.603 177.767 177.300 -0.225 0.000 1.230 228 P CA 0.109 63.024 63.100 -0.309 0.000 0.788 228 P CB 1.169 32.322 31.700 -0.911 0.000 0.949 229 S N 0.160 115.867 115.700 0.013 0.000 2.593 229 S HA 0.113 4.562 4.470 -0.035 0.000 0.217 229 S C 0.644 175.406 174.600 0.270 0.000 0.966 229 S CA 0.107 58.393 58.200 0.143 0.000 0.914 229 S CB -0.821 62.521 63.200 0.237 0.000 0.776 229 S HN 0.558 nan 8.310 nan 0.000 0.523 230 F N 1.767 121.916 119.950 0.332 0.000 2.432 230 F HA 0.753 5.259 4.527 -0.035 0.000 0.329 230 F C 0.108 176.002 175.800 0.157 0.000 1.076 230 F CA -1.215 56.972 58.000 0.313 0.000 1.018 230 F CB 0.409 39.578 39.000 0.281 0.000 1.201 230 F HN -0.147 nan 8.300 nan 0.000 0.489 231 T N 0.003 114.771 114.554 0.357 0.000 2.888 231 T HA 0.755 5.084 4.350 -0.035 0.000 0.284 231 T C -1.066 173.803 174.700 0.282 0.000 1.017 231 T CA -0.798 61.438 62.100 0.228 0.000 1.022 231 T CB 1.532 70.495 68.868 0.158 0.000 1.013 231 T HN 0.678 nan 8.240 nan 0.000 0.465 232 V N 3.324 123.373 119.914 0.224 0.000 2.444 232 V HA 0.730 4.828 4.120 -0.035 0.000 0.294 232 V C 0.272 176.462 176.094 0.159 0.000 1.022 232 V CA -0.634 61.784 62.300 0.198 0.000 0.850 232 V CB 1.348 33.288 31.823 0.194 0.000 0.992 232 V HN 1.314 nan 8.190 nan 0.000 0.426 233 T N 0.069 114.731 114.554 0.180 0.000 2.896 233 T HA 0.686 5.014 4.350 -0.035 0.000 0.297 233 T C 0.747 175.535 174.700 0.146 0.000 1.108 233 T CA -0.032 62.154 62.100 0.145 0.000 1.004 233 T CB 1.806 70.754 68.868 0.134 0.000 1.159 233 T HN 1.775 nan 8.240 nan 0.000 0.499 234 G N -0.095 108.763 108.800 0.095 0.000 2.168 234 G HA2 0.111 4.050 3.960 -0.035 0.000 0.257 234 G HA3 0.111 4.050 3.960 -0.035 0.000 0.257 234 G C 1.383 176.338 174.900 0.092 0.000 0.997 234 G CA 1.001 46.152 45.100 0.084 0.000 0.708 234 G HN 2.459 nan 8.290 nan 0.000 0.520 235 G N -0.047 108.808 108.800 0.091 0.000 2.435 235 G HA2 -0.279 3.659 3.960 -0.035 0.000 0.245 235 G HA3 -0.279 3.659 3.960 -0.035 0.000 0.245 235 G C 0.887 175.839 174.900 0.087 0.000 1.073 235 G CA 1.440 46.589 45.100 0.081 0.000 0.638 235 G HN 2.235 nan 8.290 nan 0.000 0.521 236 N N -0.393 118.371 118.700 0.106 0.000 2.110 236 N HA 0.150 4.868 4.740 -0.035 0.000 0.230 236 N C -0.296 175.272 175.510 0.096 0.000 1.353 236 N CA 0.372 53.474 53.050 0.087 0.000 0.807 236 N CB -0.246 38.289 38.487 0.079 0.000 1.244 236 N HN 0.550 nan 8.380 nan 0.000 0.504 237 H N 1.349 120.453 119.070 0.056 0.000 2.604 237 H HA 0.478 5.012 4.556 -0.035 0.000 0.306 237 H C -0.459 174.909 175.328 0.066 0.000 1.075 237 H CA -0.285 55.796 56.048 0.054 0.000 1.357 237 H CB 0.576 30.374 29.762 0.060 0.000 1.426 237 H HN -0.008 nan 8.280 nan 0.000 0.470 238 I N 4.748 125.063 120.570 -0.424 0.000 2.412 238 I HA 0.260 4.409 4.170 -0.035 0.000 0.296 238 I C -0.204 175.805 176.117 -0.180 0.000 0.987 238 I CA -0.745 60.438 61.300 -0.195 0.000 1.180 238 I CB 1.610 39.503 38.000 -0.177 0.000 1.340 238 I HN 0.670 nan 8.210 nan 0.000 0.455 239 E N 5.268 125.522 120.200 0.091 0.000 2.216 239 E HA 0.292 4.621 4.350 -0.035 0.000 0.260 239 E C -1.709 175.089 176.600 0.331 0.000 0.880 239 E CA -0.405 56.100 56.400 0.174 0.000 0.765 239 E CB 2.718 32.529 29.700 0.185 0.000 1.174 239 E HN 0.608 nan 8.360 nan 0.000 0.417 240 W N 3.630 125.001 121.300 0.117 0.000 3.326 240 W HA 0.157 4.796 4.660 -0.035 0.000 0.333 240 W C -0.343 176.281 176.519 0.175 0.000 1.108 240 W CA -0.427 57.015 57.345 0.162 0.000 1.245 240 W CB 0.920 30.468 29.460 0.147 0.000 1.331 240 W HN 0.318 nan 8.180 nan 0.000 0.464 241 E N 5.964 125.838 120.200 -0.543 0.000 2.165 241 E HA -0.323 4.006 4.350 -0.035 0.000 0.203 241 E C 0.526 176.838 176.600 -0.480 0.000 1.335 241 E CA 1.865 57.881 56.400 -0.641 0.000 0.708 241 E CB -0.998 27.965 29.700 -1.229 0.000 1.105 241 E HN 0.891 nan 8.360 nan 0.000 0.346 242 K N -4.116 116.036 120.400 -0.414 0.000 3.604 242 K HA -0.240 4.059 4.320 -0.035 0.000 0.271 242 K C 0.173 176.351 176.600 -0.703 0.000 1.180 242 K CA 1.668 57.546 56.287 -0.683 0.000 1.017 242 K CB -1.471 30.306 32.500 -1.205 0.000 1.292 242 K HN 0.242 nan 8.250 nan 0.000 0.501 243 W N 1.950 123.065 121.300 -0.308 0.000 2.251 243 W HA 0.422 5.061 4.660 -0.035 0.000 0.329 243 W C 0.695 177.199 176.519 -0.026 0.000 1.234 243 W CA -0.047 57.255 57.345 -0.071 0.000 1.228 243 W CB 1.387 30.946 29.460 0.164 0.000 1.135 243 W HN 0.018 nan 8.180 nan 0.000 0.576 244 S N 4.246 120.111 115.700 0.274 0.000 2.619 244 S HA 0.812 5.260 4.470 -0.035 0.000 0.280 244 S C -1.160 173.464 174.600 0.038 0.000 1.150 244 S CA -0.735 57.529 58.200 0.107 0.000 0.978 244 S CB 0.055 63.337 63.200 0.137 0.000 1.041 244 S HN 0.569 nan 8.310 nan 0.000 0.485 245 L N 1.171 122.288 121.223 -0.177 0.000 2.940 245 L HA 0.761 5.080 4.340 -0.035 0.000 0.270 245 L C -2.062 174.655 176.870 -0.255 0.000 1.030 245 L CA -1.041 53.699 54.840 -0.168 0.000 0.928 245 L CB 1.705 43.678 42.059 -0.144 0.000 1.506 245 L HN 0.389 nan 8.230 nan 0.000 0.405 246 D N 1.463 121.787 120.400 -0.127 0.000 2.391 246 D HA 0.457 5.076 4.640 -0.035 0.000 0.245 246 D C -0.768 175.521 176.300 -0.019 0.000 1.069 246 D CA -0.284 53.700 54.000 -0.026 0.000 0.831 246 D CB 3.204 44.044 40.800 0.068 0.000 1.204 246 D HN 0.361 nan 8.370 nan 0.000 0.503 247 V N 2.264 122.165 119.914 -0.021 0.000 2.353 247 V HA 0.452 4.551 4.120 -0.035 0.000 0.264 247 V C 0.981 177.113 176.094 0.064 0.000 1.049 247 V CA -0.332 61.947 62.300 -0.035 0.000 0.896 247 V CB 1.004 32.789 31.823 -0.064 0.000 1.025 247 V HN 0.595 nan 8.190 nan 0.000 0.475 248 G N 3.219 112.083 108.800 0.108 0.000 2.521 248 G HA2 0.700 4.639 3.960 -0.035 0.000 0.323 248 G HA3 0.700 4.639 3.960 -0.035 0.000 0.323 248 G C -1.520 173.463 174.900 0.138 0.000 1.211 248 G CA -0.463 44.745 45.100 0.181 0.000 0.979 248 G HN 0.473 nan 8.290 nan 0.000 0.490 249 F N -0.019 119.905 119.950 -0.043 0.000 2.588 249 F HA 0.495 5.001 4.527 -0.036 0.000 0.318 249 F C -1.405 174.340 175.800 -0.092 0.000 1.155 249 F CA -0.942 56.987 58.000 -0.119 0.000 0.967 249 F CB 2.542 41.462 39.000 -0.134 0.000 1.236 249 F HN 0.522 nan 8.300 nan 0.000 0.455 250 D N 3.748 123.729 120.400 -0.698 0.000 2.481 250 D HA 0.317 4.936 4.640 -0.035 0.000 0.244 250 D C 0.169 176.089 176.300 -0.633 0.000 1.057 250 D CA -0.552 53.193 54.000 -0.424 0.000 0.848 250 D CB 2.431 43.111 40.800 -0.201 0.000 1.388 250 D HN 0.365 nan 8.370 nan 0.000 0.475 251 V N 4.137 123.882 119.914 -0.282 0.000 2.594 251 V HA -0.108 3.991 4.120 -0.035 0.000 0.253 251 V C 2.024 178.053 176.094 -0.108 0.000 1.069 251 V CA 2.066 64.259 62.300 -0.180 0.000 1.082 251 V CB -0.378 31.391 31.823 -0.089 0.000 0.680 251 V HN 0.624 nan 8.190 nan 0.000 0.469 252 R N -0.590 119.903 120.500 -0.012 0.000 2.087 252 R HA 0.008 4.327 4.340 -0.035 0.000 0.216 252 R C 2.145 178.385 176.300 -0.100 0.000 1.114 252 R CA 1.307 57.396 56.100 -0.017 0.000 1.002 252 R CB -0.123 30.144 30.300 -0.056 0.000 0.903 252 R HN 0.549 nan 8.270 nan 0.000 0.445 253 E N -0.399 119.718 120.200 -0.138 0.000 2.385 253 E HA 0.127 4.456 4.350 -0.035 0.000 0.194 253 E C 0.665 177.081 176.600 -0.307 0.000 1.013 253 E CA 0.352 56.669 56.400 -0.138 0.000 0.866 253 E CB 0.598 30.261 29.700 -0.061 0.000 0.832 253 E HN 0.558 nan 8.360 nan 0.000 0.500 254 G N 0.831 109.247 108.800 -0.640 0.000 2.498 254 G HA2 -0.301 3.637 3.960 -0.035 0.000 0.245 254 G HA3 -0.301 3.637 3.960 -0.035 0.000 0.245 254 G C -0.099 174.170 174.900 -1.051 0.000 1.204 254 G CA -0.318 44.091 45.100 -1.152 0.000 0.933 254 G HN 0.103 nan 8.290 nan 0.000 0.574 255 V N 0.806 120.266 119.914 -0.757 0.000 2.521 255 V HA 0.444 4.543 4.120 -0.035 0.000 0.286 255 V C 0.745 176.740 176.094 -0.164 0.000 1.034 255 V CA 0.073 62.247 62.300 -0.210 0.000 1.045 255 V CB 1.012 32.893 31.823 0.095 0.000 0.974 255 V HN 0.858 nan 8.190 nan 0.000 0.480 256 V N 6.761 126.527 119.914 -0.248 0.000 2.604 256 V HA 0.477 4.576 4.120 -0.035 0.000 0.305 256 V C -0.206 175.556 176.094 -0.553 0.000 1.043 256 V CA -0.660 61.398 62.300 -0.404 0.000 0.888 256 V CB 1.929 33.535 31.823 -0.361 0.000 0.995 256 V HN 0.606 nan 8.190 nan 0.000 0.429 257 L N 4.967 125.732 121.223 -0.762 0.000 2.295 257 L HA 0.614 4.933 4.340 -0.035 0.000 0.285 257 L C -0.390 176.083 176.870 -0.661 0.000 1.035 257 L CA -0.537 53.900 54.840 -0.672 0.000 0.806 257 L CB 0.948 42.536 42.059 -0.785 0.000 1.214 257 L HN 0.613 nan 8.230 nan 0.000 0.426 258 H N 3.618 122.506 119.070 -0.303 0.000 2.569 258 H HA 0.275 4.809 4.556 -0.035 0.000 0.357 258 H C -0.139 174.971 175.328 -0.362 0.000 1.153 258 H CA -0.704 55.136 56.048 -0.346 0.000 1.193 258 H CB 1.877 31.384 29.762 -0.426 0.000 1.602 258 H HN 0.566 nan 8.280 nan 0.000 0.523 259 N N 1.316 119.870 118.700 -0.245 0.000 2.714 259 N HA -0.183 4.536 4.740 -0.035 0.000 0.252 259 N C -0.243 175.202 175.510 -0.109 0.000 1.014 259 N CA 0.374 53.295 53.050 -0.215 0.000 0.735 259 N CB -0.973 37.342 38.487 -0.287 0.000 0.924 259 N HN 0.439 nan 8.380 nan 0.000 0.540 260 I N 0.452 120.962 120.570 -0.099 0.000 2.587 260 I HA 0.220 4.369 4.170 -0.035 0.000 0.284 260 I C 1.170 177.340 176.117 0.088 0.000 1.134 260 I CA 0.084 61.390 61.300 0.010 0.000 1.410 260 I CB -0.135 37.855 38.000 -0.016 0.000 1.392 260 I HN 0.305 nan 8.210 nan 0.000 0.545 261 A N 7.146 130.085 122.820 0.200 0.000 2.556 261 A HA 0.785 5.084 4.320 -0.035 0.000 0.294 261 A C -1.560 176.172 177.584 0.246 0.000 1.091 261 A CA -0.530 51.616 52.037 0.181 0.000 0.704 261 A CB 1.898 20.957 19.000 0.099 0.000 1.300 261 A HN 0.449 nan 8.150 nan 0.000 0.406 262 F N 0.527 120.479 119.950 0.003 0.000 2.518 262 F HA 0.667 5.173 4.527 -0.035 0.000 0.323 262 F C 0.233 176.041 175.800 0.015 0.000 1.129 262 F CA -0.626 57.308 58.000 -0.111 0.000 0.920 262 F CB 1.829 40.705 39.000 -0.207 0.000 1.160 262 F HN 0.568 nan 8.300 nan 0.000 0.440 263 R N 4.036 124.445 120.500 -0.151 0.000 2.351 263 R HA 0.157 4.476 4.340 -0.035 0.000 0.321 263 R C -1.247 175.148 176.300 0.160 0.000 1.182 263 R CA 0.020 56.112 56.100 -0.013 0.000 1.011 263 R CB -0.519 29.707 30.300 -0.123 0.000 1.048 263 R HN 0.492 nan 8.270 nan 0.000 0.490 264 D N 3.848 124.431 120.400 0.304 0.000 2.467 264 D HA 0.398 5.017 4.640 -0.035 0.000 0.220 264 D C 0.766 177.162 176.300 0.159 0.000 1.103 264 D CA 1.023 55.229 54.000 0.343 0.000 0.886 264 D CB 0.654 41.677 40.800 0.372 0.000 1.025 264 D HN 0.671 nan 8.370 nan 0.000 0.514 265 G N 4.895 113.764 108.800 0.115 0.000 2.536 265 G HA2 -0.338 3.601 3.960 -0.035 0.000 0.280 265 G HA3 -0.338 3.601 3.960 -0.035 0.000 0.280 265 G C 0.567 175.491 174.900 0.039 0.000 1.152 265 G CA 0.471 45.607 45.100 0.061 0.000 0.970 265 G HN 0.598 nan 8.290 nan 0.000 0.549 266 D N 0.743 121.160 120.400 0.030 0.000 2.340 266 D HA 0.315 4.934 4.640 -0.035 0.000 0.217 266 D C 1.060 177.373 176.300 0.021 0.000 1.081 266 D CA 0.546 54.558 54.000 0.020 0.000 0.842 266 D CB -0.024 40.783 40.800 0.012 0.000 0.934 266 D HN 0.874 nan 8.370 nan 0.000 0.511 267 R N 0.111 120.630 120.500 0.031 0.000 2.599 267 R HA 0.493 4.812 4.340 -0.035 0.000 0.295 267 R C -0.888 175.442 176.300 0.050 0.000 0.963 267 R CA -0.927 55.190 56.100 0.029 0.000 0.883 267 R CB 1.553 31.861 30.300 0.012 0.000 1.171 267 R HN 0.006 nan 8.270 nan 0.000 0.450 268 L N 4.072 125.320 121.223 0.043 0.000 2.283 268 L HA 0.333 4.652 4.340 -0.035 0.000 0.287 268 L C -0.312 176.599 176.870 0.068 0.000 1.073 268 L CA -0.494 54.383 54.840 0.062 0.000 0.822 268 L CB 0.524 42.611 42.059 0.047 0.000 1.186 268 L HN 0.660 nan 8.230 nan 0.000 0.436 269 R N 6.664 127.240 120.500 0.126 0.000 2.215 269 R HA 0.365 4.684 4.340 -0.035 0.000 0.336 269 R C -2.348 174.050 176.300 0.163 0.000 0.996 269 R CA -1.753 54.429 56.100 0.137 0.000 0.847 269 R CB 0.956 31.360 30.300 0.172 0.000 1.127 269 R HN 0.423 nan 8.270 nan 0.000 0.465 270 P HA 0.072 nan 4.420 nan 0.000 0.272 270 P C -0.107 177.190 177.300 -0.006 0.000 1.223 270 P CA 0.096 63.190 63.100 -0.010 0.000 0.784 270 P CB 1.278 32.899 31.700 -0.132 0.000 0.923 271 I N 0.607 121.114 120.570 -0.105 0.000 3.814 271 I HA 0.245 4.394 4.170 -0.035 0.000 0.264 271 I C 0.676 176.658 176.117 -0.226 0.000 1.145 271 I CA 0.204 61.344 61.300 -0.267 0.000 1.375 271 I CB 0.382 38.103 38.000 -0.464 0.000 1.638 271 I HN 0.132 nan 8.210 nan 0.000 0.432 272 I N 1.209 121.677 120.570 -0.171 0.000 2.478 272 I HA 0.183 4.332 4.170 -0.035 0.000 0.287 272 I C 0.327 176.359 176.117 -0.143 0.000 1.042 272 I CA -0.246 60.966 61.300 -0.146 0.000 1.067 272 I CB 2.073 39.991 38.000 -0.137 0.000 1.233 272 I HN 0.011 nan 8.210 nan 0.000 0.431 273 N N 4.652 123.283 118.700 -0.116 0.000 2.171 273 N HA 0.016 4.735 4.740 -0.035 0.000 0.184 273 N C 0.400 175.848 175.510 -0.105 0.000 1.021 273 N CA 1.346 54.344 53.050 -0.087 0.000 0.854 273 N CB 0.395 38.926 38.487 0.072 0.000 0.994 273 N HN 0.544 nan 8.380 nan 0.000 0.426 274 R N -0.555 119.863 120.500 -0.137 0.000 2.515 274 R HA 0.586 4.905 4.340 -0.035 0.000 0.278 274 R C -2.083 174.051 176.300 -0.277 0.000 1.107 274 R CA -0.615 55.345 56.100 -0.233 0.000 0.945 274 R CB 1.431 31.648 30.300 -0.138 0.000 1.219 274 R HN 0.090 nan 8.270 nan 0.000 0.434 275 A N 2.441 125.017 122.820 -0.406 0.000 2.343 275 A HA 0.712 5.011 4.320 -0.035 0.000 0.308 275 A C -0.979 176.339 177.584 -0.443 0.000 1.092 275 A CA -0.425 51.381 52.037 -0.385 0.000 0.751 275 A CB 1.504 20.204 19.000 -0.500 0.000 1.203 275 A HN 0.809 nan 8.150 nan 0.000 0.452 276 S N 0.964 116.589 115.700 -0.126 0.000 2.625 276 S HA 0.726 5.175 4.470 -0.035 0.000 0.271 276 S C -1.242 173.474 174.600 0.193 0.000 1.161 276 S CA -0.610 57.606 58.200 0.027 0.000 0.820 276 S CB 0.687 63.835 63.200 -0.086 0.000 1.137 276 S HN 0.527 nan 8.310 nan 0.000 0.470 277 I N 2.027 122.724 120.570 0.212 0.000 2.307 277 I HA 0.539 4.688 4.170 -0.035 0.000 0.287 277 I C 1.133 177.340 176.117 0.150 0.000 1.054 277 I CA -0.341 61.073 61.300 0.190 0.000 1.218 277 I CB 0.961 39.133 38.000 0.286 0.000 1.398 277 I HN 0.944 nan 8.210 nan 0.000 0.475 278 A N 4.363 127.258 122.820 0.125 0.000 2.208 278 A HA 0.213 4.512 4.320 -0.035 0.000 0.209 278 A C 0.712 178.361 177.584 0.108 0.000 1.161 278 A CA 0.856 52.991 52.037 0.164 0.000 0.782 278 A CB -0.130 18.991 19.000 0.201 0.000 0.816 278 A HN 0.613 nan 8.150 nan 0.000 0.477 279 E N -1.943 118.274 120.200 0.028 0.000 2.389 279 E HA 0.527 4.856 4.350 -0.035 0.000 0.281 279 E C -1.241 175.347 176.600 -0.019 0.000 1.072 279 E CA -0.292 56.079 56.400 -0.048 0.000 0.845 279 E CB 0.795 30.321 29.700 -0.289 0.000 1.239 279 E HN 0.249 nan 8.360 nan 0.000 0.434 280 M N 4.389 123.968 119.600 -0.035 0.000 2.238 280 M HA 0.582 5.041 4.480 -0.035 0.000 0.278 280 M C -1.976 174.181 176.300 -0.239 0.000 1.040 280 M CA -0.803 54.346 55.300 -0.252 0.000 0.969 280 M CB 1.582 33.972 32.600 -0.351 0.000 1.694 280 M HN 0.396 nan 8.290 nan 0.000 0.472 281 V N 5.653 125.374 119.914 -0.322 0.000 2.680 281 V HA 0.765 4.863 4.120 -0.035 0.000 0.309 281 V C -1.427 174.418 176.094 -0.415 0.000 1.052 281 V CA -0.343 61.670 62.300 -0.477 0.000 0.908 281 V CB 2.287 33.742 31.823 -0.613 0.000 1.001 281 V HN 0.710 nan 8.190 nan 0.000 0.431 282 V N 8.555 128.259 119.914 -0.349 0.000 2.276 282 V HA 0.406 4.505 4.120 -0.035 0.000 0.268 282 V C -2.419 173.488 176.094 -0.312 0.000 1.032 282 V CA -1.304 60.830 62.300 -0.276 0.000 0.810 282 V CB 1.339 33.160 31.823 -0.004 0.000 1.060 282 V HN 0.829 nan 8.190 nan 0.000 0.446 283 P HA 0.307 nan 4.420 nan 0.000 0.286 283 P C -1.235 175.892 177.300 -0.289 0.000 1.269 283 P CA -0.301 62.644 63.100 -0.257 0.000 0.787 283 P CB 0.980 32.546 31.700 -0.222 0.000 0.920 284 Y N 1.053 121.220 120.300 -0.223 0.000 2.308 284 Y HA 0.423 4.953 4.550 -0.033 0.000 0.329 284 Y C 1.828 177.674 175.900 -0.090 0.000 1.111 284 Y CA 0.377 58.391 58.100 -0.143 0.000 1.179 284 Y CB 1.196 39.504 38.460 -0.254 0.000 1.201 284 Y HN 0.482 nan 8.280 nan 0.000 0.483 285 G N 1.405 110.236 108.800 0.051 0.000 3.523 285 G HA2 -0.024 3.915 3.960 -0.035 0.000 0.270 285 G HA3 -0.024 3.915 3.960 -0.035 0.000 0.270 285 G C -0.538 174.401 174.900 0.065 0.000 1.134 285 G CA -0.167 44.972 45.100 0.066 0.000 0.825 285 G HN 0.520 nan 8.290 nan 0.000 0.534 286 D N 1.127 121.555 120.400 0.046 0.000 2.313 286 D HA 0.237 4.856 4.640 -0.035 0.000 0.239 286 D C -1.002 175.283 176.300 -0.025 0.000 1.142 286 D CA -2.420 51.572 54.000 -0.013 0.000 0.847 286 D CB 2.149 42.940 40.800 -0.016 0.000 1.082 286 D HN 0.031 nan 8.370 nan 0.000 0.480 287 P HA -0.052 nan 4.420 nan 0.000 0.234 287 P C 0.392 177.691 177.300 -0.002 0.000 1.167 287 P CA 0.027 63.128 63.100 0.001 0.000 0.763 287 P CB 0.168 31.877 31.700 0.015 0.000 0.835 288 S N 2.365 118.050 115.700 -0.025 0.000 2.552 288 S HA 0.071 4.520 4.470 -0.035 0.000 0.289 288 S C -0.886 173.720 174.600 0.009 0.000 1.304 288 S CA -1.030 57.161 58.200 -0.014 0.000 1.063 288 S CB 0.198 63.364 63.200 -0.057 0.000 0.848 288 S HN 0.032 nan 8.310 nan 0.000 0.499 289 P HA -0.098 nan 4.420 nan 0.000 0.222 289 P C 1.386 178.830 177.300 0.241 0.000 1.147 289 P CA 0.729 63.913 63.100 0.140 0.000 0.790 289 P CB -0.079 31.705 31.700 0.139 0.000 0.780 290 I N -0.150 120.514 120.570 0.158 0.000 2.493 290 I HA -0.101 4.048 4.170 -0.035 0.000 0.254 290 I C 2.046 178.301 176.117 0.229 0.000 1.160 290 I CA 1.330 62.770 61.300 0.234 0.000 1.445 290 I CB -1.053 36.980 38.000 0.055 0.000 1.086 290 I HN 0.055 nan 8.210 nan 0.000 0.433 291 R N -0.592 119.817 120.500 -0.152 0.000 2.541 291 R HA 0.101 4.420 4.340 -0.035 0.000 0.332 291 R C 1.998 177.827 176.300 -0.785 0.000 0.951 291 R CA 0.507 56.208 56.100 -0.665 0.000 1.136 291 R CB 0.312 30.370 30.300 -0.404 0.000 1.449 291 R HN 0.276 nan 8.270 nan 0.000 0.531 292 S N 0.951 116.396 115.700 -0.426 0.000 2.419 292 S HA -0.139 4.309 4.470 -0.035 0.000 0.235 292 S C 1.505 175.937 174.600 -0.279 0.000 1.019 292 S CA 0.714 58.772 58.200 -0.237 0.000 0.982 292 S CB -0.407 62.764 63.200 -0.049 0.000 0.789 292 S HN 0.629 nan 8.310 nan 0.000 0.490 293 W N 0.937 122.074 121.300 -0.272 0.000 3.256 293 W HA 0.377 5.013 4.660 -0.040 0.000 0.269 293 W C 0.538 177.014 176.519 -0.072 0.000 1.310 293 W CA -0.607 56.476 57.345 -0.436 0.000 1.673 293 W CB -0.772 28.184 29.460 -0.840 0.000 1.115 293 W HN 0.298 nan 8.180 nan 0.000 0.686 294 Q N 2.870 122.086 119.800 -0.974 0.000 2.263 294 Q HA 0.090 4.409 4.340 -0.035 0.000 0.270 294 Q C -0.739 174.941 176.000 -0.534 0.000 1.104 294 Q CA 0.724 55.936 55.803 -0.985 0.000 0.909 294 Q CB 0.096 28.029 28.738 -1.342 0.000 1.214 294 Q HN 0.028 nan 8.270 nan 0.000 0.400 295 N N 4.347 122.747 118.700 -0.500 0.000 2.542 295 N HA 0.148 4.867 4.740 -0.035 0.000 0.288 295 N C -1.920 173.366 175.510 -0.372 0.000 1.115 295 N CA -0.443 52.373 53.050 -0.389 0.000 0.924 295 N CB 1.176 39.656 38.487 -0.012 0.000 1.526 295 N HN 0.387 nan 8.380 nan 0.000 0.515 296 Y N 1.052 121.346 120.300 -0.010 0.000 2.331 296 Y HA 0.441 4.969 4.550 -0.037 0.000 0.338 296 Y C 0.116 175.980 175.900 -0.061 0.000 0.976 296 Y CA -0.782 57.372 58.100 0.090 0.000 1.137 296 Y CB 0.586 39.029 38.460 -0.029 0.000 1.172 296 Y HN 0.382 nan 8.280 nan 0.000 0.478 297 F N 2.700 122.863 119.950 0.355 0.000 2.578 297 F HA 0.235 4.741 4.527 -0.036 0.000 0.314 297 F C 0.781 176.761 175.800 0.299 0.000 1.225 297 F CA -0.963 57.175 58.000 0.229 0.000 1.215 297 F CB -0.183 38.916 39.000 0.164 0.000 1.448 297 F HN 0.521 nan 8.300 nan 0.000 0.548 298 D N -0.104 120.496 120.400 0.332 0.000 2.192 298 D HA -0.251 4.368 4.640 -0.035 0.000 0.189 298 D C 2.146 178.644 176.300 0.330 0.000 1.007 298 D CA 2.392 56.572 54.000 0.300 0.000 0.859 298 D CB -0.300 40.586 40.800 0.143 0.000 0.936 298 D HN 0.294 nan 8.370 nan 0.000 0.447 299 T N -0.717 113.964 114.554 0.212 0.000 2.701 299 T HA -0.054 4.275 4.350 -0.035 0.000 0.263 299 T C 2.020 176.770 174.700 0.084 0.000 1.040 299 T CA 1.500 63.680 62.100 0.133 0.000 1.147 299 T CB -0.801 68.107 68.868 0.067 0.000 0.865 299 T HN 0.333 nan 8.240 nan 0.000 0.426 300 G N 1.017 109.881 108.800 0.107 0.000 2.394 300 G HA2 -0.108 3.831 3.960 -0.035 0.000 0.214 300 G HA3 -0.108 3.831 3.960 -0.035 0.000 0.214 300 G C 1.456 176.398 174.900 0.070 0.000 1.176 300 G CA 0.461 45.561 45.100 0.000 0.000 0.786 300 G HN 0.509 nan 8.290 nan 0.000 0.533 301 E N -0.998 119.348 120.200 0.242 0.000 2.190 301 E HA 0.076 4.405 4.350 -0.035 0.000 0.191 301 E C 1.753 178.411 176.600 0.097 0.000 0.978 301 E CA 0.458 56.949 56.400 0.152 0.000 0.839 301 E CB 0.085 29.905 29.700 0.200 0.000 0.787 301 E HN 0.579 nan 8.360 nan 0.000 0.473 302 Y N -0.212 120.265 120.300 0.296 0.000 2.498 302 Y HA 0.309 4.837 4.550 -0.036 0.000 0.259 302 Y C 0.098 176.245 175.900 0.412 0.000 1.086 302 Y CA -0.159 58.190 58.100 0.416 0.000 1.287 302 Y CB 0.581 39.297 38.460 0.427 0.000 1.146 302 Y HN -0.170 nan 8.280 nan 0.000 0.523 303 L N 0.835 122.303 121.223 0.409 0.000 3.088 303 L HA -0.205 4.114 4.340 -0.035 0.000 0.711 303 L C 1.117 178.158 176.870 0.285 0.000 1.162 303 L CA 0.022 55.008 54.840 0.244 0.000 1.304 303 L CB -1.691 40.465 42.059 0.161 0.000 1.913 303 L HN 0.169 nan 8.230 nan 0.000 0.917 304 V N -1.035 119.060 119.914 0.301 0.000 2.546 304 V HA -0.193 3.905 4.120 -0.035 0.000 0.254 304 V C 2.234 178.499 176.094 0.285 0.000 1.076 304 V CA 2.335 64.854 62.300 0.366 0.000 1.087 304 V CB -0.702 31.302 31.823 0.301 0.000 0.674 304 V HN 0.812 nan 8.190 nan 0.000 0.470 305 G N 1.311 110.154 108.800 0.072 0.000 2.440 305 G HA2 -0.310 3.629 3.960 -0.035 0.000 0.218 305 G HA3 -0.310 3.629 3.960 -0.035 0.000 0.218 305 G C 1.541 176.518 174.900 0.129 0.000 1.154 305 G CA 0.996 46.076 45.100 -0.033 0.000 0.767 305 G HN 0.836 nan 8.290 nan 0.000 0.552 306 Q N -1.013 118.763 119.800 -0.041 0.000 2.488 306 Q HA 0.025 4.343 4.340 -0.035 0.000 0.211 306 Q C 0.905 176.725 176.000 -0.300 0.000 0.967 306 Q CA 0.778 56.461 55.803 -0.200 0.000 0.926 306 Q CB -0.205 28.304 28.738 -0.382 0.000 0.992 306 Q HN 0.559 nan 8.270 nan 0.000 0.506 307 Y N 0.470 120.917 120.300 0.246 0.000 2.636 307 Y HA 0.494 5.024 4.550 -0.034 0.000 0.260 307 Y C 0.554 176.617 175.900 0.273 0.000 1.177 307 Y CA -0.935 57.306 58.100 0.235 0.000 1.209 307 Y CB 0.165 38.760 38.460 0.224 0.000 1.166 307 Y HN 0.159 nan 8.280 nan 0.000 0.531 308 A N 1.212 124.271 122.820 0.399 0.000 2.540 308 A HA 0.119 4.418 4.320 -0.035 0.000 0.239 308 A C 0.363 178.137 177.584 0.317 0.000 1.061 308 A CA -0.257 52.049 52.037 0.448 0.000 0.758 308 A CB -0.010 19.257 19.000 0.444 0.000 0.991 308 A HN 0.353 nan 8.150 nan 0.000 0.502 309 N N 1.005 119.897 118.700 0.320 0.000 2.445 309 N HA 0.237 4.956 4.740 -0.035 0.000 0.264 309 N C -0.406 175.195 175.510 0.152 0.000 1.227 309 N CA -0.113 53.063 53.050 0.210 0.000 0.963 309 N CB 0.810 39.404 38.487 0.179 0.000 1.188 309 N HN 0.502 nan 8.380 nan 0.000 0.491 310 S N 0.851 116.602 115.700 0.085 0.000 2.411 310 S HA 0.321 4.770 4.470 -0.035 0.000 0.294 310 S C 0.319 174.936 174.600 0.027 0.000 1.115 310 S CA -0.663 57.554 58.200 0.028 0.000 1.071 310 S CB -0.013 63.181 63.200 -0.011 0.000 0.967 310 S HN 0.230 nan 8.310 nan 0.000 0.488 311 L N 3.726 124.983 121.223 0.056 0.000 2.319 311 L HA 0.317 4.636 4.340 -0.035 0.000 0.280 311 L C 0.610 177.505 176.870 0.041 0.000 1.099 311 L CA -0.488 54.410 54.840 0.098 0.000 0.828 311 L CB 0.331 42.532 42.059 0.236 0.000 1.150 311 L HN 0.428 nan 8.230 nan 0.000 0.442 312 E N 2.811 123.034 120.200 0.039 0.000 2.301 312 E HA 0.235 4.564 4.350 -0.035 0.000 0.275 312 E C -0.459 176.203 176.600 0.103 0.000 1.030 312 E CA -0.902 55.514 56.400 0.025 0.000 0.852 312 E CB 2.152 31.856 29.700 0.005 0.000 1.060 312 E HN 0.262 nan 8.360 nan 0.000 0.401 313 L N 1.563 122.861 121.223 0.125 0.000 2.416 313 L HA 0.253 4.572 4.340 -0.035 0.000 0.272 313 L C 1.352 178.267 176.870 0.076 0.000 1.161 313 L CA 1.692 56.631 54.840 0.165 0.000 0.845 313 L CB 0.361 42.530 42.059 0.182 0.000 1.119 313 L HN 0.798 nan 8.230 nan 0.000 0.464 314 G N 1.991 110.823 108.800 0.052 0.000 2.304 314 G HA2 -0.350 3.589 3.960 -0.035 0.000 0.252 314 G HA3 -0.350 3.589 3.960 -0.035 0.000 0.252 314 G C 0.870 175.781 174.900 0.018 0.000 1.014 314 G CA 0.499 45.614 45.100 0.025 0.000 0.619 314 G HN 0.784 nan 8.290 nan 0.000 0.525 315 C N -0.144 119.170 119.300 0.024 0.000 3.082 315 C HA 0.307 4.746 4.460 -0.035 0.000 0.281 315 C C 2.302 177.297 174.990 0.009 0.000 1.450 315 C CA 1.303 60.326 59.018 0.008 0.000 1.688 315 C CB -0.753 26.986 27.740 -0.001 0.000 2.049 315 C HN 0.510 nan 8.230 nan 0.000 0.641 316 D N 0.145 120.560 120.400 0.024 0.000 2.137 316 D HA -0.002 4.617 4.640 -0.035 0.000 0.202 316 D C 0.236 176.590 176.300 0.090 0.000 0.970 316 D CA 1.137 55.162 54.000 0.041 0.000 0.837 316 D CB -0.018 40.810 40.800 0.047 0.000 0.981 316 D HN 0.424 nan 8.370 nan 0.000 0.475 317 c N 1.763 120.408 118.600 0.074 0.000 2.346 317 c HA 0.525 5.074 4.570 -0.035 0.000 0.326 317 c C -0.215 173.829 174.090 -0.077 0.000 1.224 317 c CA -1.152 55.168 56.329 -0.014 0.000 1.408 317 c CB 0.714 43.206 42.510 -0.030 0.000 2.089 317 c HN 0.166 nan 8.230 nan 0.000 0.456 318 L N 4.086 125.234 121.223 -0.126 0.000 2.322 318 L HA 0.956 5.275 4.340 -0.035 0.000 0.279 318 L C 0.516 177.294 176.870 -0.153 0.000 1.036 318 L CA 1.755 56.540 54.840 -0.091 0.000 0.807 318 L CB 0.984 43.024 42.059 -0.032 0.000 1.226 318 L HN 1.124 nan 8.230 nan 0.000 0.433 319 G N 3.200 111.954 108.800 -0.077 0.000 2.472 319 G HA2 -0.168 3.770 3.960 -0.035 0.000 0.205 319 G HA3 -0.168 3.770 3.960 -0.035 0.000 0.205 319 G C -0.962 173.914 174.900 -0.041 0.000 1.270 319 G CA -0.195 44.878 45.100 -0.046 0.000 0.974 319 G HN 0.776 nan 8.290 nan 0.000 0.542 320 D N 0.869 121.271 120.400 0.003 0.000 2.435 320 D HA 0.433 5.052 4.640 -0.035 0.000 0.230 320 D C -0.091 176.223 176.300 0.024 0.000 1.215 320 D CA -0.044 53.965 54.000 0.015 0.000 0.947 320 D CB 0.065 40.882 40.800 0.027 0.000 1.048 320 D HN 0.314 nan 8.370 nan 0.000 0.512 321 I N 2.065 122.597 120.570 -0.063 0.000 2.385 321 I HA 0.163 4.311 4.170 -0.035 0.000 0.294 321 I C 0.705 176.713 176.117 -0.183 0.000 0.988 321 I CA -0.280 60.914 61.300 -0.176 0.000 1.265 321 I CB 1.974 39.686 38.000 -0.480 0.000 1.388 321 I HN 0.056 nan 8.210 nan 0.000 0.480 322 T N 5.797 120.300 114.554 -0.085 0.000 2.770 322 T HA 0.501 4.830 4.350 -0.035 0.000 0.283 322 T C -0.675 173.961 174.700 -0.107 0.000 0.988 322 T CA -0.319 61.794 62.100 0.021 0.000 0.957 322 T CB 0.211 69.249 68.868 0.284 0.000 0.930 322 T HN 0.121 nan 8.240 nan 0.000 0.443 323 Y N 1.956 122.308 120.300 0.088 0.000 2.403 323 Y HA 0.677 5.206 4.550 -0.035 0.000 0.323 323 Y C 0.285 176.202 175.900 0.028 0.000 1.226 323 Y CA -1.238 56.892 58.100 0.050 0.000 1.235 323 Y CB 0.970 39.450 38.460 0.033 0.000 1.248 323 Y HN 0.359 nan 8.280 nan 0.000 0.489 324 L N 0.840 122.177 121.223 0.191 0.000 2.381 324 L HA 0.505 4.824 4.340 -0.035 0.000 0.268 324 L C -0.743 176.133 176.870 0.009 0.000 0.997 324 L CA -0.658 54.222 54.840 0.067 0.000 0.818 324 L CB 2.173 44.239 42.059 0.012 0.000 1.310 324 L HN 0.520 nan 8.230 nan 0.000 0.416 325 S N 3.016 118.694 115.700 -0.037 0.000 2.269 325 S HA 0.319 4.767 4.470 -0.035 0.000 0.194 325 S C -2.387 172.131 174.600 -0.137 0.000 1.547 325 S CA -0.994 57.151 58.200 -0.091 0.000 1.186 325 S CB 0.724 63.892 63.200 -0.052 0.000 1.069 325 S HN 0.373 nan 8.310 nan 0.000 0.473 326 P HA 0.174 nan 4.420 nan 0.000 0.269 326 P C -0.642 176.561 177.300 -0.161 0.000 1.209 326 P CA -0.211 62.722 63.100 -0.277 0.000 0.776 326 P CB 0.741 31.997 31.700 -0.739 0.000 0.876 327 V N 4.121 124.009 119.914 -0.043 0.000 2.547 327 V HA 0.492 4.591 4.120 -0.035 0.000 0.299 327 V C 0.739 176.860 176.094 0.044 0.000 1.040 327 V CA -0.578 61.720 62.300 -0.004 0.000 0.913 327 V CB 1.265 33.094 31.823 0.010 0.000 0.992 327 V HN 0.525 nan 8.190 nan 0.000 0.449 328 I N 0.599 121.189 120.570 0.034 0.000 3.239 328 I HA 0.809 4.957 4.170 -0.035 0.000 0.314 328 I C -0.262 175.856 176.117 0.002 0.000 1.126 328 I CA -0.659 60.662 61.300 0.036 0.000 0.973 328 I CB 2.333 40.364 38.000 0.052 0.000 1.252 328 I HN 0.538 nan 8.210 nan 0.000 0.463 329 S N 1.018 116.702 115.700 -0.026 0.000 2.578 329 S HA 0.414 4.863 4.470 -0.035 0.000 0.283 329 S C -0.629 173.950 174.600 -0.034 0.000 1.195 329 S CA -0.544 57.636 58.200 -0.033 0.000 1.050 329 S CB 0.866 64.030 63.200 -0.059 0.000 1.012 329 S HN 0.806 nan 8.310 nan 0.000 0.511 330 D N 2.378 122.770 120.400 -0.014 0.000 2.511 330 D HA 0.434 5.053 4.640 -0.035 0.000 0.276 330 D C 1.229 177.457 176.300 -0.119 0.000 1.220 330 D CA -0.206 53.776 54.000 -0.030 0.000 1.077 330 D CB 0.088 40.918 40.800 0.050 0.000 1.126 330 D HN 0.495 nan 8.370 nan 0.000 0.583 331 A N -1.096 121.551 122.820 -0.289 0.000 2.125 331 A HA -0.043 4.256 4.320 -0.035 0.000 0.219 331 A C 1.477 178.710 177.584 -0.585 0.000 1.156 331 A CA 0.853 52.592 52.037 -0.496 0.000 0.671 331 A CB -0.918 17.648 19.000 -0.723 0.000 0.794 331 A HN 0.460 nan 8.150 nan 0.000 0.459 332 F N -1.786 118.177 119.950 0.022 0.000 2.678 332 F HA 0.413 4.918 4.527 -0.036 0.000 0.305 332 F C 1.746 177.546 175.800 0.001 0.000 1.090 332 F CA 0.248 58.256 58.000 0.014 0.000 1.272 332 F CB 0.189 39.197 39.000 0.012 0.000 1.060 332 F HN 0.295 nan 8.300 nan 0.000 0.576 333 G N 0.147 109.003 108.800 0.093 0.000 2.176 333 G HA2 -0.244 3.695 3.960 -0.035 0.000 0.232 333 G HA3 -0.244 3.695 3.960 -0.035 0.000 0.232 333 G C -0.033 174.891 174.900 0.039 0.000 0.986 333 G CA -0.533 44.593 45.100 0.043 0.000 0.643 333 G HN 0.248 nan 8.290 nan 0.000 0.522 334 N N 2.163 120.913 118.700 0.083 0.000 2.518 334 N HA 0.419 5.138 4.740 -0.035 0.000 0.283 334 N C -2.488 173.040 175.510 0.030 0.000 1.119 334 N CA -1.035 52.050 53.050 0.058 0.000 0.983 334 N CB 1.659 40.201 38.487 0.092 0.000 1.139 334 N HN 0.199 nan 8.380 nan 0.000 0.465 335 P HA 0.171 nan 4.420 nan 0.000 0.275 335 P C -0.607 176.701 177.300 0.013 0.000 1.227 335 P CA -0.072 63.029 63.100 0.002 0.000 0.781 335 P CB 1.150 32.843 31.700 -0.010 0.000 0.906 336 R N 1.774 122.281 120.500 0.012 0.000 2.502 336 R HA 0.257 4.576 4.340 -0.035 0.000 0.300 336 R C -0.469 175.832 176.300 0.002 0.000 0.984 336 R CA -0.608 55.500 56.100 0.014 0.000 0.882 336 R CB 1.463 31.777 30.300 0.024 0.000 1.180 336 R HN 0.474 nan 8.270 nan 0.000 0.444 337 E N 4.322 124.519 120.200 -0.006 0.000 2.283 337 E HA 0.167 4.496 4.350 -0.035 0.000 0.278 337 E C -0.792 175.787 176.600 -0.035 0.000 1.027 337 E CA -0.691 55.694 56.400 -0.026 0.000 0.843 337 E CB 0.838 30.524 29.700 -0.024 0.000 1.062 337 E HN 0.429 nan 8.360 nan 0.000 0.401 338 I N 5.048 125.573 120.570 -0.074 0.000 2.316 338 I HA 0.175 4.324 4.170 -0.035 0.000 0.286 338 I C 0.480 176.543 176.117 -0.091 0.000 1.107 338 I CA -0.123 61.131 61.300 -0.077 0.000 1.219 338 I CB 0.430 38.350 38.000 -0.133 0.000 1.455 338 I HN 0.403 nan 8.210 nan 0.000 0.498 339 R N 5.520 125.982 120.500 -0.064 0.000 2.480 339 R HA -0.001 4.318 4.340 -0.035 0.000 0.303 339 R C 0.133 176.365 176.300 -0.112 0.000 0.985 339 R CA 0.296 56.346 56.100 -0.082 0.000 1.051 339 R CB 0.050 30.305 30.300 -0.074 0.000 0.935 339 R HN 0.593 nan 8.270 nan 0.000 0.410 340 N N 2.531 121.150 118.700 -0.135 0.000 2.727 340 N HA -0.176 4.543 4.740 -0.035 0.000 0.249 340 N C 0.539 176.049 175.510 -0.001 0.000 1.048 340 N CA 1.150 54.094 53.050 -0.176 0.000 0.714 340 N CB -1.248 36.861 38.487 -0.628 0.000 0.959 340 N HN 0.895 nan 8.380 nan 0.000 0.544 341 G N -1.002 107.791 108.800 -0.012 0.000 2.623 341 G HA2 0.228 4.167 3.960 -0.035 0.000 0.214 341 G HA3 0.228 4.167 3.960 -0.035 0.000 0.214 341 G C 0.534 175.496 174.900 0.103 0.000 1.138 341 G CA 0.244 45.352 45.100 0.014 0.000 0.794 341 G HN 0.451 nan 8.290 nan 0.000 0.535 342 I N 0.370 121.007 120.570 0.112 0.000 2.466 342 I HA 0.311 4.460 4.170 -0.035 0.000 0.289 342 I C -0.759 175.471 176.117 0.190 0.000 1.026 342 I CA -0.899 60.488 61.300 0.144 0.000 1.078 342 I CB 2.434 40.454 38.000 0.032 0.000 1.249 342 I HN -0.181 nan 8.210 nan 0.000 0.429 343 c N 6.896 125.579 118.600 0.139 0.000 2.376 343 c HA 0.717 5.266 4.570 -0.035 0.000 0.335 343 c C 0.020 174.107 174.090 -0.006 0.000 1.229 343 c CA -0.532 55.803 56.329 0.009 0.000 1.867 343 c CB 0.821 43.364 42.510 0.054 0.000 2.319 343 c HN 0.668 nan 8.230 nan 0.000 0.515 344 M N 5.220 124.782 119.600 -0.063 0.000 2.326 344 M HA 0.516 4.975 4.480 -0.035 0.000 0.292 344 M C -0.702 175.576 176.300 -0.036 0.000 1.081 344 M CA -0.166 55.029 55.300 -0.175 0.000 0.919 344 M CB 2.058 34.468 32.600 -0.316 0.000 1.634 344 M HN 0.995 nan 8.290 nan 0.000 0.451 345 H N 0.792 119.685 119.070 -0.295 0.000 2.935 345 H HA 0.441 4.976 4.556 -0.035 0.000 0.297 345 H C -2.171 173.078 175.328 -0.132 0.000 1.423 345 H CA -1.024 55.021 56.048 -0.005 0.000 1.161 345 H CB 1.110 30.896 29.762 0.040 0.000 1.841 345 H HN 0.746 nan 8.280 nan 0.000 0.506 346 E N 1.057 121.296 120.200 0.066 0.000 2.212 346 E HA 0.518 4.847 4.350 -0.035 0.000 0.268 346 E C -0.945 175.704 176.600 0.081 0.000 0.902 346 E CA -0.907 55.429 56.400 -0.106 0.000 0.779 346 E CB 2.868 32.659 29.700 0.151 0.000 1.172 346 E HN 0.707 nan 8.360 nan 0.000 0.409 347 E N 2.132 122.347 120.200 0.024 0.000 2.367 347 E HA 0.268 4.597 4.350 -0.035 0.000 0.273 347 E C -1.306 175.419 176.600 0.209 0.000 0.903 347 E CA -1.030 55.463 56.400 0.154 0.000 0.764 347 E CB 1.595 31.400 29.700 0.176 0.000 1.252 347 E HN 0.529 nan 8.360 nan 0.000 0.446 348 D N 1.218 121.751 120.400 0.222 0.000 2.423 348 D HA -0.061 4.558 4.640 -0.035 0.000 0.238 348 D C -0.959 175.553 176.300 0.354 0.000 1.142 348 D CA 0.116 54.256 54.000 0.233 0.000 0.884 348 D CB 0.543 41.428 40.800 0.141 0.000 1.199 348 D HN 0.522 nan 8.370 nan 0.000 0.438 349 W N 5.637 126.979 121.300 0.071 0.000 1.187 349 W HA 0.373 5.012 4.660 -0.036 0.000 0.297 349 W C 0.265 176.818 176.519 0.057 0.000 0.842 349 W CA 0.060 57.445 57.345 0.067 0.000 2.286 349 W CB 0.118 29.663 29.460 0.141 0.000 1.736 349 W HN 0.849 nan 8.180 nan 0.000 0.507 350 G N 1.970 110.703 108.800 -0.111 0.000 2.575 350 G HA2 -0.334 3.605 3.960 -0.035 0.000 0.267 350 G HA3 -0.334 3.605 3.960 -0.035 0.000 0.267 350 G C -0.333 174.551 174.900 -0.027 0.000 1.264 350 G CA -0.039 44.978 45.100 -0.137 0.000 0.935 350 G HN 0.099 nan 8.290 nan 0.000 0.568 351 I N 1.221 121.767 120.570 -0.041 0.000 2.529 351 I HA 0.236 4.384 4.170 -0.035 0.000 0.284 351 I C 1.567 177.715 176.117 0.052 0.000 1.082 351 I CA -0.093 61.210 61.300 0.005 0.000 1.406 351 I CB 0.871 38.866 38.000 -0.008 0.000 1.405 351 I HN 0.634 nan 8.210 nan 0.000 0.548 352 L N 6.229 127.499 121.223 0.079 0.000 2.200 352 L HA 0.486 4.805 4.340 -0.035 0.000 0.200 352 L C 0.608 177.539 176.870 0.102 0.000 1.072 352 L CA 1.013 55.920 54.840 0.112 0.000 0.787 352 L CB 0.127 42.261 42.059 0.126 0.000 0.957 352 L HN 0.709 nan 8.230 nan 0.000 0.459 353 A N -0.416 122.473 122.820 0.115 0.000 2.589 353 A HA 0.659 4.958 4.320 -0.035 0.000 0.296 353 A C -1.150 176.552 177.584 0.198 0.000 1.062 353 A CA -0.589 51.544 52.037 0.159 0.000 0.686 353 A CB 1.129 20.267 19.000 0.230 0.000 1.282 353 A HN 0.059 nan 8.150 nan 0.000 0.404 354 K N 1.006 121.525 120.400 0.199 0.000 2.557 354 K HA 0.572 4.871 4.320 -0.035 0.000 0.257 354 K C -2.223 174.523 176.600 0.243 0.000 0.933 354 K CA -0.504 55.911 56.287 0.214 0.000 0.820 354 K CB 1.713 34.275 32.500 0.103 0.000 1.330 354 K HN 1.103 nan 8.250 nan 0.000 0.432 355 H N 0.453 119.600 119.070 0.129 0.000 3.137 355 H HA 0.353 4.888 4.556 -0.035 0.000 0.336 355 H C -1.937 173.418 175.328 0.046 0.000 1.055 355 H CA -0.371 55.705 56.048 0.047 0.000 1.349 355 H CB 1.815 31.574 29.762 -0.004 0.000 1.939 355 H HN 0.422 nan 8.280 nan 0.000 0.487 356 S N 4.262 119.610 115.700 -0.585 0.000 2.474 356 S HA 0.153 4.602 4.470 -0.035 0.000 0.320 356 S C -0.671 173.481 174.600 -0.745 0.000 1.067 356 S CA -0.654 57.267 58.200 -0.465 0.000 1.127 356 S CB 0.328 63.396 63.200 -0.220 0.000 0.971 356 S HN 0.653 nan 8.310 nan 0.000 0.472 357 D N 3.052 123.066 120.400 -0.643 0.000 2.313 357 D HA 0.177 4.796 4.640 -0.035 0.000 0.239 357 D C 1.214 177.411 176.300 -0.173 0.000 1.142 357 D CA -0.522 53.260 54.000 -0.363 0.000 0.847 357 D CB 0.578 41.352 40.800 -0.043 0.000 1.082 357 D HN 0.258 nan 8.370 nan 0.000 0.480 358 L N 5.377 126.465 121.223 -0.225 0.000 1.989 358 L HA -0.133 4.186 4.340 -0.035 0.000 0.211 358 L C 1.285 178.161 176.870 0.010 0.000 1.071 358 L CA 1.741 56.480 54.840 -0.168 0.000 0.749 358 L CB -0.685 41.191 42.059 -0.306 0.000 0.890 358 L HN 0.654 nan 8.230 nan 0.000 0.431 359 W N 0.408 121.714 121.300 0.010 0.000 2.358 359 W HA -0.145 4.494 4.660 -0.035 0.000 0.303 359 W C 3.032 179.556 176.519 0.008 0.000 1.208 359 W CA 1.585 58.937 57.345 0.011 0.000 1.274 359 W CB -1.562 27.910 29.460 0.020 0.000 1.138 359 W HN 0.498 nan 8.180 nan 0.000 0.515 360 S N -0.884 114.959 115.700 0.237 0.000 2.501 360 S HA 0.263 4.712 4.470 -0.035 0.000 0.220 360 S C 1.812 176.461 174.600 0.081 0.000 0.997 360 S CA 1.011 59.294 58.200 0.137 0.000 0.919 360 S CB -0.083 63.188 63.200 0.118 0.000 0.778 360 S HN 0.436 nan 8.310 nan 0.000 0.523 361 G N 1.099 109.933 108.800 0.057 0.000 2.184 361 G HA2 -0.204 3.735 3.960 -0.035 0.000 0.264 361 G HA3 -0.204 3.735 3.960 -0.035 0.000 0.264 361 G C 0.007 174.913 174.900 0.010 0.000 0.975 361 G CA 0.262 45.377 45.100 0.024 0.000 0.642 361 G HN 0.514 nan 8.290 nan 0.000 0.536 362 I N 1.509 122.087 120.570 0.015 0.000 2.371 362 I HA 0.285 4.434 4.170 -0.035 0.000 0.290 362 I C -0.248 175.867 176.117 -0.003 0.000 1.028 362 I CA -0.828 60.487 61.300 0.025 0.000 1.345 362 I CB 0.823 38.855 38.000 0.053 0.000 1.407 362 I HN 0.013 nan 8.210 nan 0.000 0.501 363 N N 6.850 125.561 118.700 0.019 0.000 2.446 363 N HA 0.246 4.964 4.740 -0.035 0.000 0.265 363 N C -1.097 174.473 175.510 0.101 0.000 0.975 363 N CA -0.370 52.686 53.050 0.010 0.000 0.928 363 N CB 1.945 40.422 38.487 -0.017 0.000 1.160 363 N HN 0.465 nan 8.380 nan 0.000 0.495 364 Y N 1.272 121.552 120.300 -0.033 0.000 2.376 364 Y HA 0.506 5.035 4.550 -0.035 0.000 0.340 364 Y C -0.886 175.019 175.900 0.008 0.000 0.965 364 Y CA -0.294 57.807 58.100 0.001 0.000 1.078 364 Y CB 1.588 40.065 38.460 0.028 0.000 1.193 364 Y HN 0.319 nan 8.280 nan 0.000 0.452 365 T N 6.782 121.178 114.554 -0.264 0.000 2.993 365 T HA 0.585 4.914 4.350 -0.035 0.000 0.312 365 T C -1.391 173.104 174.700 -0.342 0.000 1.115 365 T CA -1.034 60.957 62.100 -0.183 0.000 1.027 365 T CB 1.311 70.130 68.868 -0.083 0.000 1.116 365 T HN 0.418 nan 8.240 nan 0.000 0.464 366 R N 1.864 122.244 120.500 -0.199 0.000 2.621 366 R HA 0.530 4.849 4.340 -0.035 0.000 0.284 366 R C -0.631 175.653 176.300 -0.025 0.000 0.998 366 R CA -0.971 55.041 56.100 -0.148 0.000 0.895 366 R CB 1.892 32.111 30.300 -0.135 0.000 1.195 366 R HN 0.459 nan 8.270 nan 0.000 0.450 367 R N 1.306 121.804 120.500 -0.003 0.000 2.531 367 R HA 0.311 4.630 4.340 -0.035 0.000 0.273 367 R C 0.340 176.705 176.300 0.108 0.000 1.070 367 R CA -0.718 55.411 56.100 0.047 0.000 1.112 367 R CB 0.567 30.896 30.300 0.048 0.000 1.049 367 R HN 0.455 nan 8.270 nan 0.000 0.508 368 N N 0.703 119.504 118.700 0.169 0.000 2.459 368 N HA 0.414 5.133 4.740 -0.035 0.000 0.288 368 N C -0.959 174.758 175.510 0.346 0.000 1.186 368 N CA -0.427 52.789 53.050 0.276 0.000 0.917 368 N CB 1.259 39.960 38.487 0.356 0.000 1.219 368 N HN 0.352 nan 8.380 nan 0.000 0.525 369 R N 0.103 120.853 120.500 0.416 0.000 2.707 369 R HA 0.478 4.796 4.340 -0.035 0.000 0.272 369 R C -0.898 175.648 176.300 0.410 0.000 1.011 369 R CA -0.888 55.470 56.100 0.431 0.000 0.893 369 R CB 2.442 33.036 30.300 0.491 0.000 1.233 369 R HN 0.652 nan 8.270 nan 0.000 0.464 370 R N 1.859 122.397 120.500 0.063 0.000 2.673 370 R HA 0.471 4.790 4.340 -0.035 0.000 0.281 370 R C -1.317 174.512 176.300 -0.785 0.000 0.991 370 R CA -0.928 54.879 56.100 -0.488 0.000 0.896 370 R CB 1.905 31.549 30.300 -1.093 0.000 1.201 370 R HN 0.496 nan 8.270 nan 0.000 0.457 371 M N 3.284 122.112 119.600 -1.287 0.000 2.188 371 M HA 0.314 4.773 4.480 -0.035 0.000 0.357 371 M C -1.575 174.227 176.300 -0.830 0.000 1.204 371 M CA -0.441 54.016 55.300 -1.406 0.000 1.095 371 M CB 1.523 33.080 32.600 -1.739 0.000 1.604 371 M HN 0.468 nan 8.290 nan 0.000 0.464 372 V N 7.050 126.520 119.914 -0.740 0.000 2.495 372 V HA 0.581 4.680 4.120 -0.035 0.000 0.298 372 V C -0.496 175.357 176.094 -0.402 0.000 1.031 372 V CA -0.594 61.423 62.300 -0.472 0.000 0.871 372 V CB 1.689 33.210 31.823 -0.503 0.000 0.988 372 V HN 0.799 nan 8.190 nan 0.000 0.432 373 I N 4.527 124.955 120.570 -0.235 0.000 2.468 373 I HA 0.638 4.787 4.170 -0.035 0.000 0.285 373 I C -0.207 175.901 176.117 -0.015 0.000 1.039 373 I CA -0.044 61.179 61.300 -0.128 0.000 1.074 373 I CB 2.044 39.968 38.000 -0.127 0.000 1.228 373 I HN 0.789 nan 8.210 nan 0.000 0.436 374 S N 5.546 121.242 115.700 -0.007 0.000 2.638 374 S HA 0.870 5.319 4.470 -0.035 0.000 0.274 374 S C -0.947 173.743 174.600 0.150 0.000 1.157 374 S CA -0.727 57.419 58.200 -0.091 0.000 0.826 374 S CB 2.674 65.466 63.200 -0.681 0.000 1.139 374 S HN 0.556 nan 8.310 nan 0.000 0.474 375 F N -1.311 118.591 119.950 -0.080 0.000 2.711 375 F HA 0.907 5.412 4.527 -0.035 0.000 0.313 375 F C -2.205 173.692 175.800 0.162 0.000 1.141 375 F CA -1.663 56.397 58.000 0.099 0.000 0.941 375 F CB 0.897 40.006 39.000 0.181 0.000 1.349 375 F HN 0.633 nan 8.300 nan 0.000 0.464 376 F N 0.675 120.663 119.950 0.062 0.000 2.578 376 F HA 0.684 5.190 4.527 -0.036 0.000 0.311 376 F C -0.265 175.657 175.800 0.203 0.000 1.094 376 F CA -0.389 57.617 58.000 0.010 0.000 0.923 376 F CB 2.367 41.398 39.000 0.052 0.000 1.230 376 F HN 0.886 nan 8.300 nan 0.000 0.450 377 T N 1.912 116.737 114.554 0.451 0.000 2.916 377 T HA 0.696 5.024 4.350 -0.035 0.000 0.292 377 T C -1.222 173.725 174.700 0.411 0.000 1.055 377 T CA -0.298 62.095 62.100 0.488 0.000 1.009 377 T CB 1.464 70.657 68.868 0.541 0.000 1.118 377 T HN 0.570 nan 8.240 nan 0.000 0.497 378 T N 3.992 118.736 114.554 0.317 0.000 2.841 378 T HA 0.577 4.906 4.350 -0.035 0.000 0.285 378 T C -0.934 173.776 174.700 0.015 0.000 0.991 378 T CA -0.560 61.624 62.100 0.139 0.000 0.966 378 T CB 0.607 69.532 68.868 0.095 0.000 0.962 378 T HN 0.411 nan 8.240 nan 0.000 0.438 379 I N 3.711 124.223 120.570 -0.096 0.000 2.495 379 I HA 0.402 4.551 4.170 -0.035 0.000 0.277 379 I C 1.251 177.166 176.117 -0.337 0.000 1.045 379 I CA -0.005 61.131 61.300 -0.274 0.000 1.135 379 I CB 0.059 37.938 38.000 -0.200 0.000 1.241 379 I HN 0.951 nan 8.210 nan 0.000 0.469 380 G N 7.398 116.011 108.800 -0.311 0.000 2.620 380 G HA2 -0.316 3.623 3.960 -0.035 0.000 0.315 380 G HA3 -0.316 3.623 3.960 -0.035 0.000 0.315 380 G C 0.441 175.200 174.900 -0.234 0.000 1.179 380 G CA 0.608 45.599 45.100 -0.181 0.000 0.971 380 G HN 0.690 nan 8.290 nan 0.000 0.544 384 Y N 0.540 120.889 120.300 0.080 0.000 2.393 384 Y HA 0.715 5.244 4.550 -0.035 0.000 0.341 384 Y C 0.832 176.111 175.900 -1.035 0.000 0.988 384 Y CA -0.965 56.941 58.100 -0.323 0.000 1.078 384 Y CB 2.447 40.811 38.460 -0.160 0.000 1.203 384 Y HN 0.435 nan 8.280 nan 0.000 0.453 385 G N 2.543 110.552 108.800 -1.318 0.000 2.416 385 G HA2 0.590 4.528 3.960 -0.035 0.000 0.324 385 G HA3 0.590 4.528 3.960 -0.035 0.000 0.324 385 G C -1.705 172.665 174.900 -0.884 0.000 1.194 385 G CA -0.442 43.703 45.100 -1.592 0.000 0.922 385 G HN 0.327 nan 8.290 nan 0.000 0.467 386 F N 1.499 120.916 119.950 -0.888 0.000 2.426 386 F HA 0.502 5.008 4.527 -0.036 0.000 0.348 386 F C -0.720 174.674 175.800 -0.677 0.000 1.124 386 F CA -0.956 56.712 58.000 -0.552 0.000 1.008 386 F CB 1.799 40.640 39.000 -0.266 0.000 1.139 386 F HN 0.302 nan 8.300 nan 0.000 0.452 387 Y N 1.309 121.141 120.300 -0.780 0.000 2.361 387 Y HA 0.440 4.969 4.550 -0.036 0.000 0.337 387 Y C -1.106 174.043 175.900 -1.253 0.000 0.965 387 Y CA -1.573 56.026 58.100 -0.836 0.000 1.091 387 Y CB 1.365 39.287 38.460 -0.897 0.000 1.182 387 Y HN 0.526 nan 8.280 nan 0.000 0.450 388 W N 3.408 124.360 121.300 -0.580 0.000 2.520 388 W HA 0.620 5.259 4.660 -0.035 0.000 0.323 388 W C -1.384 174.707 176.519 -0.713 0.000 1.062 388 W CA -0.735 56.295 57.345 -0.525 0.000 1.215 388 W CB 1.090 30.414 29.460 -0.226 0.000 1.340 388 W HN 0.323 nan 8.180 nan 0.000 0.516 389 Y N 2.811 123.007 120.300 -0.173 0.000 2.425 389 Y HA 0.660 5.189 4.550 -0.035 0.000 0.344 389 Y C -0.318 175.273 175.900 -0.514 0.000 0.969 389 Y CA -1.647 56.165 58.100 -0.479 0.000 1.052 389 Y CB 1.190 39.256 38.460 -0.657 0.000 1.215 389 Y HN 0.068 nan 8.280 nan 0.000 0.451 390 L N 3.966 124.838 121.223 -0.585 0.000 2.356 390 L HA 0.528 4.847 4.340 -0.035 0.000 0.277 390 L C -1.205 175.439 176.870 -0.375 0.000 0.996 390 L CA -0.822 53.612 54.840 -0.677 0.000 0.822 390 L CB 1.356 42.695 42.059 -1.200 0.000 1.256 390 L HN 0.614 nan 8.230 nan 0.000 0.413 391 Y N 1.793 122.225 120.300 0.220 0.000 2.488 391 Y HA 0.329 4.858 4.550 -0.035 0.000 0.325 391 Y C 1.173 177.528 175.900 0.759 0.000 1.204 391 Y CA -0.748 57.600 58.100 0.414 0.000 1.229 391 Y CB 1.367 39.963 38.460 0.228 0.000 1.274 391 Y HN 0.429 nan 8.280 nan 0.000 0.493 392 L N 0.557 122.206 121.223 0.709 0.000 2.083 392 L HA -0.186 4.133 4.340 -0.035 0.000 0.209 392 L C 1.716 178.833 176.870 0.413 0.000 1.083 392 L CA 1.639 56.763 54.840 0.472 0.000 0.752 392 L CB -0.339 41.877 42.059 0.261 0.000 0.899 392 L HN 0.765 nan 8.230 nan 0.000 0.433 393 D N -0.365 120.254 120.400 0.365 0.000 2.363 393 D HA -0.032 4.587 4.640 -0.035 0.000 0.226 393 D C 1.429 177.824 176.300 0.158 0.000 1.020 393 D CA 0.950 55.054 54.000 0.173 0.000 0.892 393 D CB 0.287 41.160 40.800 0.121 0.000 0.900 393 D HN 0.353 nan 8.370 nan 0.000 0.531 394 G N -0.611 108.466 108.800 0.461 0.000 2.195 394 G HA2 -0.237 3.701 3.960 -0.035 0.000 0.224 394 G HA3 -0.237 3.701 3.960 -0.035 0.000 0.224 394 G C 0.407 175.805 174.900 0.830 0.000 0.990 394 G CA 0.171 45.580 45.100 0.515 0.000 0.639 394 G HN 0.452 nan 8.290 nan 0.000 0.514 395 T N 1.457 116.391 114.554 0.634 0.000 2.901 395 T HA 0.542 4.871 4.350 -0.035 0.000 0.301 395 T C 0.512 175.565 174.700 0.587 0.000 1.012 395 T CA 0.492 62.895 62.100 0.504 0.000 1.135 395 T CB 1.216 70.187 68.868 0.173 0.000 0.936 395 T HN 0.337 nan 8.240 nan 0.000 0.539 396 I N 2.716 123.556 120.570 0.451 0.000 2.433 396 I HA 0.483 4.632 4.170 -0.035 0.000 0.292 396 I C 0.125 176.388 176.117 0.244 0.000 1.001 396 I CA -0.597 60.867 61.300 0.273 0.000 1.119 396 I CB 1.800 39.936 38.000 0.227 0.000 1.289 396 I HN 0.622 nan 8.210 nan 0.000 0.438 397 E N 5.890 126.196 120.200 0.178 0.000 2.356 397 E HA 0.492 4.821 4.350 -0.035 0.000 0.275 397 E C -2.036 174.401 176.600 -0.272 0.000 0.904 397 E CA -0.641 55.764 56.400 0.007 0.000 0.757 397 E CB 2.752 32.579 29.700 0.212 0.000 1.232 397 E HN 0.413 nan 8.360 nan 0.000 0.442 398 F N 2.211 121.612 119.950 -0.916 0.000 2.532 398 F HA 0.523 5.029 4.527 -0.036 0.000 0.321 398 F C -1.185 174.061 175.800 -0.923 0.000 1.089 398 F CA -0.516 56.727 58.000 -1.262 0.000 0.926 398 F CB 1.863 39.749 39.000 -1.856 0.000 1.168 398 F HN 0.523 nan 8.300 nan 0.000 0.459 399 E N 4.162 123.172 120.200 -1.983 0.000 2.263 399 E HA 0.688 5.017 4.350 -0.035 0.000 0.268 399 E C -1.889 173.833 176.600 -1.463 0.000 0.884 399 E CA -0.950 54.701 56.400 -1.248 0.000 0.766 399 E CB 1.755 31.133 29.700 -0.538 0.000 1.196 399 E HN 0.867 nan 8.360 nan 0.000 0.416 400 A N 4.493 126.729 122.820 -0.974 0.000 2.305 400 A HA 0.582 4.881 4.320 -0.035 0.000 0.322 400 A C -0.808 176.484 177.584 -0.487 0.000 1.187 400 A CA -0.683 50.860 52.037 -0.823 0.000 0.825 400 A CB 0.841 19.223 19.000 -1.030 0.000 1.164 400 A HN 0.555 nan 8.150 nan 0.000 0.498 401 K N 1.446 121.604 120.400 -0.404 0.000 2.413 401 K HA 0.598 4.896 4.320 -0.035 0.000 0.257 401 K C -0.756 175.757 176.600 -0.145 0.000 0.946 401 K CA -0.355 55.798 56.287 -0.222 0.000 0.823 401 K CB 2.255 34.675 32.500 -0.133 0.000 1.109 401 K HN 0.741 nan 8.250 nan 0.000 0.427 402 A N 2.354 125.121 122.820 -0.089 0.000 2.288 402 A HA 0.632 4.931 4.320 -0.035 0.000 0.320 402 A C -0.159 177.354 177.584 -0.117 0.000 1.217 402 A CA -0.295 51.677 52.037 -0.108 0.000 0.840 402 A CB 1.464 20.349 19.000 -0.191 0.000 1.179 402 A HN 0.693 nan 8.150 nan 0.000 0.504 403 T N 0.717 115.186 114.554 -0.142 0.000 2.606 403 T HA 0.785 5.114 4.350 -0.035 0.000 0.289 403 T C 0.397 174.996 174.700 -0.169 0.000 1.113 403 T CA 1.060 63.101 62.100 -0.098 0.000 1.106 403 T CB 0.565 69.420 68.868 -0.021 0.000 1.611 403 T HN 2.680 nan 8.240 nan 0.000 0.471 404 G N -0.098 108.599 108.800 -0.172 0.000 2.451 404 G HA2 0.010 3.949 3.960 -0.035 0.000 0.208 404 G HA3 0.010 3.949 3.960 -0.035 0.000 0.208 404 G C -1.145 173.614 174.900 -0.235 0.000 1.248 404 G CA -0.207 44.755 45.100 -0.229 0.000 0.989 404 G HN 1.352 nan 8.290 nan 0.000 0.559 405 V N 1.273 121.006 119.914 -0.302 0.000 2.459 405 V HA 0.610 4.709 4.120 -0.035 0.000 0.295 405 V C 1.122 177.106 176.094 -0.183 0.000 1.029 405 V CA -0.116 62.030 62.300 -0.256 0.000 0.874 405 V CB 1.194 32.765 31.823 -0.420 0.000 0.985 405 V HN 1.664 nan 8.190 nan 0.000 0.438 406 V N 2.244 122.208 119.914 0.083 0.000 2.740 406 V HA 0.335 4.434 4.120 -0.035 0.000 0.303 406 V C -0.120 176.040 176.094 0.110 0.000 1.054 406 V CA -0.271 62.124 62.300 0.159 0.000 1.106 406 V CB 0.150 32.131 31.823 0.264 0.000 0.957 406 V HN 0.608 nan 8.190 nan 0.000 0.486 407 F N 4.879 124.828 119.950 -0.003 0.000 2.495 407 F HA 0.502 5.011 4.527 -0.030 0.000 0.365 407 F C 1.008 176.908 175.800 0.167 0.000 1.090 407 F CA 0.559 58.581 58.000 0.036 0.000 1.235 407 F CB 0.804 39.803 39.000 -0.003 0.000 1.119 407 F HN 1.008 nan 8.300 nan 0.000 0.562 408 T N 1.658 116.171 114.554 -0.068 0.000 2.937 408 T HA 0.846 5.174 4.350 -0.035 0.000 0.283 408 T C -0.250 174.475 174.700 0.042 0.000 1.012 408 T CA -0.217 61.911 62.100 0.048 0.000 0.997 408 T CB 1.605 70.493 68.868 0.033 0.000 1.136 408 T HN 0.755 nan 8.240 nan 0.000 0.551 409 S N -0.632 115.069 115.700 0.002 0.000 2.727 409 S HA 0.766 5.215 4.470 -0.035 0.000 0.278 409 S C -0.770 173.788 174.600 -0.070 0.000 1.186 409 S CA -0.805 57.357 58.200 -0.063 0.000 0.836 409 S CB 0.750 63.923 63.200 -0.044 0.000 1.186 409 S HN 1.440 nan 8.310 nan 0.000 0.499 410 A N 0.478 123.221 122.820 -0.128 0.000 2.316 410 A HA 0.706 5.005 4.320 -0.035 0.000 0.284 410 A C -0.829 176.787 177.584 0.055 0.000 1.115 410 A CA -0.436 51.584 52.037 -0.027 0.000 0.812 410 A CB -0.104 18.883 19.000 -0.021 0.000 1.064 410 A HN 0.959 nan 8.150 nan 0.000 0.489 411 F N 3.408 123.344 119.950 -0.023 0.000 2.404 411 F HA 0.498 5.002 4.527 -0.040 0.000 0.358 411 F C -2.086 173.742 175.800 0.047 0.000 1.120 411 F CA -2.550 55.442 58.000 -0.014 0.000 1.144 411 F CB 0.764 39.747 39.000 -0.028 0.000 1.133 411 F HN 0.317 nan 8.300 nan 0.000 0.495 412 P HA -0.029 nan 4.420 nan 0.000 0.266 412 P C -0.763 176.346 177.300 -0.318 0.000 1.195 412 P CA -0.024 62.929 63.100 -0.245 0.000 0.768 412 P CB 0.455 32.010 31.700 -0.241 0.000 0.838 413 E N 1.568 121.697 120.200 -0.117 0.000 2.344 413 E HA 0.275 4.604 4.350 -0.035 0.000 0.270 413 E C 0.906 177.445 176.600 -0.101 0.000 1.021 413 E CA 0.544 56.901 56.400 -0.071 0.000 0.887 413 E CB -0.275 29.401 29.700 -0.038 0.000 0.997 413 E HN 0.759 nan 8.360 nan 0.000 0.429 414 G N 2.777 111.535 108.800 -0.070 0.000 2.159 414 G HA2 -0.141 3.798 3.960 -0.035 0.000 0.227 414 G HA3 -0.141 3.798 3.960 -0.035 0.000 0.227 414 G C 0.532 175.379 174.900 -0.088 0.000 0.986 414 G CA -0.138 44.927 45.100 -0.058 0.000 0.651 414 G HN 1.321 nan 8.290 nan 0.000 0.523 415 G N -1.550 107.137 108.800 -0.189 0.000 2.760 415 G HA2 0.403 4.342 3.960 -0.035 0.000 0.246 415 G HA3 0.403 4.342 3.960 -0.035 0.000 0.246 415 G C -0.156 174.545 174.900 -0.333 0.000 1.359 415 G CA 0.882 45.856 45.100 -0.209 0.000 0.861 415 G HN 2.204 nan 8.290 nan 0.000 0.541 416 S N -1.348 114.245 115.700 -0.179 0.000 2.537 416 S HA 0.607 5.055 4.470 -0.035 0.000 0.271 416 S C -0.191 174.383 174.600 -0.044 0.000 1.148 416 S CA 0.351 58.455 58.200 -0.160 0.000 0.868 416 S CB 1.773 64.814 63.200 -0.264 0.000 1.115 416 S HN 0.600 nan 8.310 nan 0.000 0.461 417 D N 2.287 122.656 120.400 -0.051 0.000 2.360 417 D HA 0.182 4.801 4.640 -0.035 0.000 0.210 417 D C 0.260 176.541 176.300 -0.031 0.000 1.047 417 D CA 0.485 54.503 54.000 0.030 0.000 0.854 417 D CB 0.076 40.908 40.800 0.053 0.000 0.936 417 D HN 0.614 nan 8.370 nan 0.000 0.514 418 N N -0.409 118.094 118.700 -0.329 0.000 2.194 418 N HA 0.260 4.979 4.740 -0.035 0.000 0.231 418 N C -0.360 174.394 175.510 -1.261 0.000 1.247 418 N CA 0.001 52.628 53.050 -0.706 0.000 0.884 418 N CB 1.660 40.020 38.487 -0.212 0.000 1.146 418 N HN 0.001 nan 8.380 nan 0.000 0.516 419 I N -0.181 119.799 120.570 -0.983 0.000 2.722 419 I HA 0.358 4.507 4.170 -0.035 0.000 0.295 419 I C -0.691 175.422 176.117 -0.008 0.000 1.161 419 I CA -0.808 60.220 61.300 -0.453 0.000 1.032 419 I CB 2.297 40.245 38.000 -0.087 0.000 1.244 419 I HN -0.147 nan 8.210 nan 0.000 0.421 420 S N 3.073 118.889 115.700 0.193 0.000 2.608 420 S HA 0.398 4.847 4.470 -0.035 0.000 0.291 420 S C -0.644 173.891 174.600 -0.108 0.000 1.146 420 S CA -0.613 57.713 58.200 0.211 0.000 1.043 420 S CB 1.819 65.196 63.200 0.294 0.000 1.037 420 S HN 0.565 nan 8.310 nan 0.000 0.520 421 Q N 1.488 120.968 119.800 -0.534 0.000 2.290 421 Q HA 0.439 4.758 4.340 -0.035 0.000 0.259 421 Q C -0.140 175.623 176.000 -0.395 0.000 0.941 421 Q CA -0.335 54.949 55.803 -0.865 0.000 0.912 421 Q CB 0.606 28.456 28.738 -1.480 0.000 1.244 421 Q HN 0.704 nan 8.270 nan 0.000 0.441 422 L N 1.919 122.934 121.223 -0.347 0.000 2.425 422 L HA 0.519 4.838 4.340 -0.035 0.000 0.215 422 L C 0.447 177.159 176.870 -0.263 0.000 1.065 422 L CA 0.116 54.787 54.840 -0.281 0.000 0.842 422 L CB 0.527 42.310 42.059 -0.459 0.000 1.033 422 L HN 0.589 nan 8.230 nan 0.000 0.474 423 A N -1.029 121.602 122.820 -0.314 0.000 2.588 423 A HA 0.673 4.972 4.320 -0.035 0.000 0.290 423 A C -2.707 174.799 177.584 -0.131 0.000 1.136 423 A CA -1.203 50.732 52.037 -0.169 0.000 0.681 423 A CB 0.519 19.420 19.000 -0.165 0.000 1.282 423 A HN -0.229 nan 8.150 nan 0.000 0.421 424 P HA 0.274 nan 4.420 nan 0.000 0.258 424 P C 0.986 178.295 177.300 0.015 0.000 1.187 424 P CA 2.348 65.443 63.100 -0.008 0.000 0.767 424 P CB 0.367 32.080 31.700 0.021 0.000 0.770 425 G N 2.373 111.209 108.800 0.061 0.000 2.184 425 G HA2 -0.281 3.658 3.960 -0.035 0.000 0.264 425 G HA3 -0.281 3.658 3.960 -0.035 0.000 0.264 425 G C -0.132 174.823 174.900 0.092 0.000 0.975 425 G CA -0.092 45.079 45.100 0.119 0.000 0.642 425 G HN 0.564 nan 8.290 nan 0.000 0.536 426 L N 1.735 122.942 121.223 -0.027 0.000 2.264 426 L HA 0.784 5.103 4.340 -0.035 0.000 0.289 426 L C 0.679 177.475 176.870 -0.124 0.000 1.044 426 L CA 0.152 54.913 54.840 -0.131 0.000 0.807 426 L CB 1.145 42.993 42.059 -0.352 0.000 1.192 426 L HN 0.387 nan 8.230 nan 0.000 0.425 427 G N 3.427 112.217 108.800 -0.016 0.000 2.489 427 G HA2 0.763 4.701 3.960 -0.035 0.000 0.327 427 G HA3 0.763 4.701 3.960 -0.035 0.000 0.327 427 G C -1.613 173.294 174.900 0.011 0.000 1.189 427 G CA -0.356 44.790 45.100 0.076 0.000 0.962 427 G HN 0.939 nan 8.290 nan 0.000 0.486 428 A N 1.724 124.587 122.820 0.072 0.000 2.466 428 A HA 0.758 5.056 4.320 -0.035 0.000 0.291 428 A C -2.775 174.938 177.584 0.215 0.000 1.234 428 A CA -1.359 50.760 52.037 0.136 0.000 0.752 428 A CB 1.525 20.591 19.000 0.110 0.000 1.153 428 A HN 0.412 nan 8.150 nan 0.000 0.458 429 P HA 0.162 nan 4.420 nan 0.000 0.266 429 P C -0.350 177.205 177.300 0.425 0.000 1.195 429 P CA 0.243 63.494 63.100 0.251 0.000 0.768 429 P CB 0.189 32.094 31.700 0.341 0.000 0.838 430 F N 3.376 123.405 119.950 0.132 0.000 2.496 430 F HA 0.236 4.743 4.527 -0.033 0.000 0.344 430 F C 1.622 177.303 175.800 -0.198 0.000 1.155 430 F CA 0.497 58.446 58.000 -0.085 0.000 1.302 430 F CB -0.402 38.563 39.000 -0.058 0.000 1.159 430 F HN 0.509 nan 8.300 nan 0.000 0.595 431 H N -0.508 118.366 119.070 -0.327 0.000 2.917 431 H HA 0.455 4.990 4.556 -0.035 0.000 0.299 431 H C -1.880 173.129 175.328 -0.531 0.000 1.418 431 H CA -1.113 54.564 56.048 -0.618 0.000 1.138 431 H CB 1.317 30.291 29.762 -1.313 0.000 1.830 431 H HN 0.581 nan 8.280 nan 0.000 0.514 432 Q N 0.131 119.647 119.800 -0.474 0.000 2.451 432 Q HA 0.379 4.698 4.340 -0.035 0.000 0.281 432 Q C -1.124 174.612 176.000 -0.440 0.000 1.099 432 Q CA -0.983 54.584 55.803 -0.394 0.000 0.806 432 Q CB 2.947 31.513 28.738 -0.287 0.000 1.419 432 Q HN 0.519 nan 8.270 nan 0.000 0.427 433 H N 1.462 120.453 119.070 -0.131 0.000 2.762 433 H HA 0.444 4.979 4.556 -0.036 0.000 0.310 433 H C -0.877 174.239 175.328 -0.354 0.000 1.004 433 H CA -0.207 55.706 56.048 -0.224 0.000 1.267 433 H CB 0.654 30.394 29.762 -0.037 0.000 1.437 433 H HN 0.446 nan 8.280 nan 0.000 0.498 434 I N 4.064 124.379 120.570 -0.426 0.000 2.406 434 I HA 0.262 4.411 4.170 -0.035 0.000 0.290 434 I C -0.547 175.250 176.117 -0.534 0.000 0.999 434 I CA -0.613 60.468 61.300 -0.365 0.000 1.124 434 I CB 1.104 38.947 38.000 -0.262 0.000 1.289 434 I HN 0.189 nan 8.210 nan 0.000 0.441 435 F N 2.996 122.667 119.950 -0.466 0.000 2.523 435 F HA 0.570 5.076 4.527 -0.035 0.000 0.329 435 F C 0.507 176.120 175.800 -0.312 0.000 1.061 435 F CA -0.916 56.779 58.000 -0.510 0.000 0.967 435 F CB 1.851 40.239 39.000 -1.021 0.000 1.218 435 F HN 0.264 nan 8.300 nan 0.000 0.480 436 S N 1.045 116.817 115.700 0.120 0.000 2.707 436 S HA 0.775 5.224 4.470 -0.035 0.000 0.303 436 S C -1.023 173.713 174.600 0.227 0.000 1.132 436 S CA -0.528 57.783 58.200 0.185 0.000 1.046 436 S CB 0.593 63.758 63.200 -0.059 0.000 1.004 436 S HN 0.857 nan 8.310 nan 0.000 0.483 437 A N 4.815 127.816 122.820 0.302 0.000 2.260 437 A HA 0.598 4.897 4.320 -0.035 0.000 0.308 437 A C 0.163 177.772 177.584 0.042 0.000 1.254 437 A CA -0.649 51.508 52.037 0.199 0.000 0.874 437 A CB 0.294 19.369 19.000 0.125 0.000 1.153 437 A HN 0.852 nan 8.150 nan 0.000 0.527 438 R N 3.572 124.030 120.500 -0.069 0.000 2.198 438 R HA 0.495 4.814 4.340 -0.035 0.000 0.339 438 R C -1.447 174.664 176.300 -0.314 0.000 1.020 438 R CA -0.279 55.574 56.100 -0.411 0.000 0.864 438 R CB 0.166 30.108 30.300 -0.597 0.000 1.105 438 R HN 0.712 nan 8.270 nan 0.000 0.463 439 L N 4.552 125.584 121.223 -0.318 0.000 2.301 439 L HA 0.256 4.575 4.340 -0.035 0.000 0.278 439 L C -0.426 176.326 176.870 -0.197 0.000 1.022 439 L CA -0.851 53.879 54.840 -0.183 0.000 0.854 439 L CB 1.406 43.419 42.059 -0.077 0.000 1.226 439 L HN 0.547 nan 8.230 nan 0.000 0.429 440 D N 4.957 125.253 120.400 -0.174 0.000 2.402 440 D HA 0.169 4.788 4.640 -0.035 0.000 0.235 440 D C 0.227 176.511 176.300 -0.028 0.000 1.226 440 D CA -0.281 53.666 54.000 -0.088 0.000 0.918 440 D CB 0.617 41.378 40.800 -0.065 0.000 1.043 440 D HN 0.151 nan 8.370 nan 0.000 0.506 441 M N 2.189 121.791 119.600 0.004 0.000 2.245 441 M HA 0.358 4.817 4.480 -0.035 0.000 0.330 441 M C 0.484 176.809 176.300 0.042 0.000 1.098 441 M CA -0.364 54.943 55.300 0.011 0.000 1.172 441 M CB 0.717 33.336 32.600 0.033 0.000 1.467 441 M HN 0.501 nan 8.290 nan 0.000 0.454 442 A N 2.922 125.704 122.820 -0.062 0.000 3.241 442 A HA 0.343 4.642 4.320 -0.035 0.000 0.198 442 A C -0.396 177.106 177.584 -0.138 0.000 1.003 442 A CA -0.554 51.364 52.037 -0.197 0.000 1.134 442 A CB 0.056 18.790 19.000 -0.443 0.000 1.289 442 A HN 0.592 nan 8.150 nan 0.000 0.623 443 I N 1.735 122.286 120.570 -0.033 0.000 2.691 443 I HA 0.027 4.176 4.170 -0.035 0.000 0.288 443 I C 0.472 176.652 176.117 0.105 0.000 1.143 443 I CA 0.977 62.320 61.300 0.073 0.000 1.364 443 I CB -1.079 37.004 38.000 0.138 0.000 1.435 443 I HN 0.484 nan 8.210 nan 0.000 0.551 444 D N 4.954 125.436 120.400 0.137 0.000 2.837 444 D HA -0.158 4.461 4.640 -0.035 0.000 0.230 444 D C 0.628 176.896 176.300 -0.054 0.000 1.152 444 D CA 1.682 55.701 54.000 0.032 0.000 0.736 444 D CB -0.740 40.045 40.800 -0.025 0.000 1.084 444 D HN 1.120 nan 8.370 nan 0.000 0.429 445 G N -2.307 106.409 108.800 -0.140 0.000 2.371 445 G HA2 -0.058 3.881 3.960 -0.035 0.000 0.663 445 G HA3 -0.058 3.881 3.960 -0.035 0.000 0.663 445 G C 0.196 174.955 174.900 -0.234 0.000 1.311 445 G CA -0.392 44.570 45.100 -0.230 0.000 0.985 445 G HN 0.026 nan 8.290 nan 0.000 0.566 446 F N 0.725 120.669 119.950 -0.011 0.000 2.710 446 F HA 0.211 4.716 4.527 -0.035 0.000 0.298 446 F C 2.307 178.108 175.800 0.003 0.000 1.137 446 F CA 1.207 59.196 58.000 -0.019 0.000 1.444 446 F CB 0.249 39.224 39.000 -0.042 0.000 1.111 446 F HN 0.288 nan 8.300 nan 0.000 0.580 447 T N 2.593 117.245 114.554 0.163 0.000 3.185 447 T HA 0.143 4.472 4.350 -0.035 0.000 0.287 447 T C -0.011 174.747 174.700 0.097 0.000 1.051 447 T CA -0.135 62.035 62.100 0.116 0.000 1.051 447 T CB -0.590 68.326 68.868 0.081 0.000 1.034 447 T HN -0.014 nan 8.240 nan 0.000 0.685 448 N N 2.800 121.566 118.700 0.110 0.000 2.457 448 N HA 0.695 5.413 4.740 -0.035 0.000 0.290 448 N C -0.114 175.454 175.510 0.096 0.000 1.232 448 N CA -0.996 52.114 53.050 0.100 0.000 0.852 448 N CB 1.969 40.519 38.487 0.105 0.000 1.313 448 N HN 0.587 nan 8.380 nan 0.000 0.522 449 R N -1.719 118.839 120.500 0.095 0.000 2.710 449 R HA 0.734 5.053 4.340 -0.035 0.000 0.270 449 R C -1.807 174.557 176.300 0.107 0.000 1.021 449 R CA -0.864 55.292 56.100 0.095 0.000 0.889 449 R CB 0.687 31.036 30.300 0.082 0.000 1.243 449 R HN 0.175 nan 8.270 nan 0.000 0.464 450 V N 1.159 121.142 119.914 0.115 0.000 2.555 450 V HA 0.422 4.520 4.120 -0.035 0.000 0.302 450 V C -0.471 175.712 176.094 0.149 0.000 1.038 450 V CA -0.708 61.677 62.300 0.142 0.000 0.887 450 V CB 1.732 33.644 31.823 0.149 0.000 0.991 450 V HN 0.754 nan 8.190 nan 0.000 0.434 451 E N 2.355 122.650 120.200 0.160 0.000 2.222 451 E HA 0.431 4.759 4.350 -0.035 0.000 0.267 451 E C -0.923 175.770 176.600 0.155 0.000 0.884 451 E CA -0.638 55.841 56.400 0.130 0.000 0.764 451 E CB 2.768 32.514 29.700 0.076 0.000 1.169 451 E HN 0.727 nan 8.360 nan 0.000 0.413 452 E N 2.601 122.877 120.200 0.127 0.000 2.200 452 E HA 0.082 4.411 4.350 -0.035 0.000 0.283 452 E C -1.018 175.502 176.600 -0.134 0.000 1.015 452 E CA -0.261 56.131 56.400 -0.013 0.000 0.819 452 E CB 0.945 30.707 29.700 0.103 0.000 1.081 452 E HN 0.390 nan 8.360 nan 0.000 0.397 453 E N 4.143 124.177 120.200 -0.276 0.000 2.158 453 E HA 0.194 4.523 4.350 -0.035 0.000 0.271 453 E C -1.293 175.170 176.600 -0.228 0.000 0.911 453 E CA -0.805 55.479 56.400 -0.194 0.000 0.767 453 E CB 0.986 30.592 29.700 -0.157 0.000 1.120 453 E HN 0.412 nan 8.360 nan 0.000 0.405 454 D N 2.428 122.746 120.400 -0.137 0.000 2.457 454 D HA 0.275 4.894 4.640 -0.035 0.000 0.240 454 D C -0.535 175.728 176.300 -0.061 0.000 1.041 454 D CA -0.548 53.382 54.000 -0.117 0.000 0.861 454 D CB 2.164 42.913 40.800 -0.085 0.000 1.394 454 D HN 0.153 nan 8.370 nan 0.000 0.473 455 V N 1.208 121.090 119.914 -0.054 0.000 2.775 455 V HA 0.241 4.340 4.120 -0.035 0.000 0.299 455 V C 0.121 176.219 176.094 0.008 0.000 1.062 455 V CA -0.275 62.021 62.300 -0.007 0.000 1.063 455 V CB 1.565 33.359 31.823 -0.049 0.000 0.994 455 V HN 0.271 nan 8.190 nan 0.000 0.483 456 V N 5.826 125.776 119.914 0.059 0.000 2.376 456 V HA 0.418 4.516 4.120 -0.035 0.000 0.287 456 V C 0.200 176.345 176.094 0.085 0.000 1.015 456 V CA -0.777 61.554 62.300 0.052 0.000 0.834 456 V CB 1.488 33.337 31.823 0.044 0.000 1.001 456 V HN 0.806 nan 8.190 nan 0.000 0.428 457 R N 3.581 124.112 120.500 0.051 0.000 2.490 457 R HA 0.488 4.807 4.340 -0.035 0.000 0.280 457 R C -0.445 175.892 176.300 0.060 0.000 1.077 457 R CA -0.345 55.792 56.100 0.062 0.000 1.065 457 R CB 0.993 31.305 30.300 0.021 0.000 1.003 457 R HN 0.661 nan 8.270 nan 0.000 0.470 458 Q N 0.606 120.450 119.800 0.074 0.000 2.342 458 Q HA 0.270 4.588 4.340 -0.035 0.000 0.267 458 Q C -0.730 175.293 176.000 0.038 0.000 1.038 458 Q CA -0.651 55.182 55.803 0.050 0.000 0.832 458 Q CB 2.529 31.297 28.738 0.049 0.000 1.323 458 Q HN 0.468 nan 8.270 nan 0.000 0.448 459 T N 2.273 116.842 114.554 0.025 0.000 2.869 459 T HA 0.209 4.538 4.350 -0.035 0.000 0.295 459 T C 0.097 174.807 174.700 0.017 0.000 0.987 459 T CA -0.324 61.787 62.100 0.019 0.000 1.109 459 T CB 0.442 69.318 68.868 0.013 0.000 0.932 459 T HN 0.468 nan 8.240 nan 0.000 0.518 460 M N 3.255 122.865 119.600 0.016 0.000 2.238 460 M HA 0.430 4.889 4.480 -0.035 0.000 0.350 460 M C 0.557 176.863 176.300 0.010 0.000 1.321 460 M CA 0.910 56.218 55.300 0.014 0.000 1.097 460 M CB -0.525 32.083 32.600 0.013 0.000 1.713 460 M HN 0.937 nan 8.290 nan 0.000 0.455 461 G N 4.631 113.435 108.800 0.008 0.000 2.398 461 G HA2 0.129 4.068 3.960 -0.035 0.000 0.251 461 G HA3 0.129 4.068 3.960 -0.035 0.000 0.251 461 G C -3.312 171.590 174.900 0.003 0.000 1.277 461 G CA -1.108 43.995 45.100 0.005 0.000 0.927 461 G HN 0.416 nan 8.290 nan 0.000 0.477 462 P HA 0.298 nan 4.420 nan 0.000 0.255 462 P C 0.928 178.227 177.300 -0.001 0.000 1.173 462 P CA 2.469 65.569 63.100 0.000 0.000 0.780 462 P CB 0.318 32.019 31.700 0.000 0.000 0.758 463 G N 3.107 111.905 108.800 -0.003 0.000 2.195 463 G HA2 -0.262 3.677 3.960 -0.035 0.000 0.246 463 G HA3 -0.262 3.677 3.960 -0.035 0.000 0.246 463 G C 0.508 175.404 174.900 -0.007 0.000 0.984 463 G CA 0.172 45.268 45.100 -0.006 0.000 0.633 463 G HN 0.622 nan 8.290 nan 0.000 0.525 464 N N 0.084 118.783 118.700 -0.003 0.000 2.620 464 N HA 0.341 5.059 4.740 -0.035 0.000 0.277 464 N C 1.039 176.551 175.510 0.004 0.000 1.726 464 N CA 0.381 53.431 53.050 -0.000 0.000 0.840 464 N CB 0.458 38.948 38.487 0.004 0.000 1.379 464 N HN 0.124 nan 8.380 nan 0.000 0.506 465 E N 0.091 120.292 120.200 0.002 0.000 2.160 465 E HA -0.049 4.280 4.350 -0.035 0.000 0.195 465 E C 1.208 177.811 176.600 0.006 0.000 0.991 465 E CA 1.238 57.640 56.400 0.003 0.000 0.810 465 E CB 0.090 29.790 29.700 0.001 0.000 0.742 465 E HN 0.398 nan 8.360 nan 0.000 0.466 466 R N -0.780 119.723 120.500 0.006 0.000 2.297 466 R HA 0.145 4.464 4.340 -0.035 0.000 0.197 466 R C 0.822 177.132 176.300 0.016 0.000 0.943 466 R CA 0.513 56.619 56.100 0.009 0.000 1.038 466 R CB 0.256 30.561 30.300 0.008 0.000 0.957 466 R HN 0.239 nan 8.270 nan 0.000 0.484 467 G N 2.574 111.384 108.800 0.017 0.000 2.305 467 G HA2 -0.296 3.643 3.960 -0.035 0.000 0.287 467 G HA3 -0.296 3.643 3.960 -0.035 0.000 0.287 467 G C 0.454 175.379 174.900 0.041 0.000 1.036 467 G CA 0.767 45.883 45.100 0.026 0.000 0.887 467 G HN 0.572 nan 8.290 nan 0.000 0.505 468 N N -0.559 118.167 118.700 0.042 0.000 2.348 468 N HA 0.358 5.076 4.740 -0.035 0.000 0.183 468 N C 1.151 176.719 175.510 0.096 0.000 1.094 468 N CA 0.726 53.817 53.050 0.068 0.000 0.885 468 N CB -0.020 38.494 38.487 0.045 0.000 1.065 468 N HN 0.969 nan 8.380 nan 0.000 0.472 469 A N 0.920 123.766 122.820 0.043 0.000 2.483 469 A HA 0.446 4.745 4.320 -0.035 0.000 0.238 469 A C -0.408 177.246 177.584 0.117 0.000 1.070 469 A CA -0.166 51.870 52.037 -0.002 0.000 0.770 469 A CB -0.361 18.621 19.000 -0.031 0.000 1.008 469 A HN 0.476 nan 8.150 nan 0.000 0.497 470 F N -0.228 119.717 119.950 -0.009 0.000 2.668 470 F HA 0.807 5.313 4.527 -0.035 0.000 0.309 470 F C -0.289 175.504 175.800 -0.012 0.000 1.117 470 F CA -0.371 57.623 58.000 -0.011 0.000 0.951 470 F CB 0.920 39.913 39.000 -0.012 0.000 1.323 470 F HN 0.636 nan 8.300 nan 0.000 0.451 471 S N 0.654 116.495 115.700 0.235 0.000 3.359 471 S HA 0.854 5.303 4.470 -0.035 0.000 0.323 471 S C -1.569 173.123 174.600 0.153 0.000 1.143 471 S CA -0.658 57.599 58.200 0.095 0.000 0.989 471 S CB 1.450 64.664 63.200 0.024 0.000 1.375 471 S HN 1.176 nan 8.310 nan 0.000 0.728 472 R N 0.606 121.147 120.500 0.068 0.000 2.692 472 R HA 0.591 4.909 4.340 -0.035 0.000 0.269 472 R C -2.043 174.266 176.300 0.015 0.000 1.030 472 R CA -0.885 55.242 56.100 0.045 0.000 0.882 472 R CB 1.189 31.513 30.300 0.040 0.000 1.250 472 R HN 0.733 nan 8.270 nan 0.000 0.465 473 K N 1.475 121.873 120.400 -0.003 0.000 2.482 473 K HA 0.614 4.913 4.320 -0.035 0.000 0.257 473 K C -1.174 175.416 176.600 -0.017 0.000 0.969 473 K CA -1.175 55.109 56.287 -0.006 0.000 0.842 473 K CB 2.758 35.256 32.500 -0.003 0.000 1.359 473 K HN 0.638 nan 8.250 nan 0.000 0.441 474 R N 0.914 121.410 120.500 -0.007 0.000 2.532 474 R HA 0.365 4.684 4.340 -0.035 0.000 0.297 474 R C -1.251 175.057 176.300 0.013 0.000 0.984 474 R CA -0.900 55.198 56.100 -0.003 0.000 0.884 474 R CB 2.589 32.892 30.300 0.004 0.000 1.182 474 R HN 0.667 nan 8.270 nan 0.000 0.442 475 T N 2.404 116.973 114.554 0.024 0.000 2.791 475 T HA 0.224 4.553 4.350 -0.035 0.000 0.288 475 T C 0.020 174.758 174.700 0.063 0.000 0.999 475 T CA -0.582 61.542 62.100 0.039 0.000 0.952 475 T CB 1.516 70.408 68.868 0.040 0.000 0.938 475 T HN 0.147 nan 8.240 nan 0.000 0.444 476 V N 5.210 125.159 119.914 0.058 0.000 2.572 476 V HA 0.205 4.304 4.120 -0.035 0.000 0.291 476 V C 0.371 176.509 176.094 0.074 0.000 1.039 476 V CA -0.434 61.908 62.300 0.069 0.000 1.055 476 V CB 0.368 32.225 31.823 0.057 0.000 0.969 476 V HN 0.709 nan 8.190 nan 0.000 0.482 477 L N 5.479 126.755 121.223 0.089 0.000 2.268 477 L HA 0.289 4.607 4.340 -0.035 0.000 0.289 477 L C 1.430 178.344 176.870 0.074 0.000 1.064 477 L CA -0.187 54.703 54.840 0.083 0.000 0.824 477 L CB 0.996 43.114 42.059 0.098 0.000 1.202 477 L HN 0.905 nan 8.230 nan 0.000 0.433 478 T N -0.694 113.897 114.554 0.061 0.000 3.044 478 T HA 0.173 4.502 4.350 -0.035 0.000 0.255 478 T C 0.964 175.698 174.700 0.057 0.000 1.073 478 T CA 0.084 62.218 62.100 0.057 0.000 1.125 478 T CB 0.340 69.236 68.868 0.046 0.000 0.908 478 T HN 0.326 nan 8.240 nan 0.000 0.480 479 R N 0.700 121.233 120.500 0.055 0.000 2.795 479 R HA 0.436 4.755 4.340 -0.035 0.000 0.275 479 R C 0.587 176.925 176.300 0.062 0.000 0.981 479 R CA -0.528 55.605 56.100 0.055 0.000 0.917 479 R CB 1.610 31.936 30.300 0.044 0.000 1.202 479 R HN 0.246 nan 8.270 nan 0.000 0.469 480 E N 0.443 120.687 120.200 0.073 0.000 2.160 480 E HA -0.191 4.138 4.350 -0.035 0.000 0.195 480 E C 1.384 178.025 176.600 0.068 0.000 0.991 480 E CA 1.971 58.424 56.400 0.089 0.000 0.810 480 E CB 0.133 29.897 29.700 0.107 0.000 0.742 480 E HN 0.632 nan 8.360 nan 0.000 0.466 481 S N 1.219 116.949 115.700 0.051 0.000 2.442 481 S HA -0.192 4.257 4.470 -0.035 0.000 0.236 481 S C 1.595 176.202 174.600 0.012 0.000 1.007 481 S CA 1.389 59.609 58.200 0.032 0.000 0.965 481 S CB -0.338 62.879 63.200 0.028 0.000 0.773 481 S HN 0.477 nan 8.310 nan 0.000 0.504 482 E N 0.204 120.416 120.200 0.019 0.000 2.548 482 E HA 0.532 4.860 4.350 -0.035 0.000 0.206 482 E C 0.881 177.486 176.600 0.007 0.000 1.005 482 E CA 0.210 56.616 56.400 0.010 0.000 0.951 482 E CB 0.355 30.070 29.700 0.024 0.000 1.035 482 E HN 0.498 nan 8.360 nan 0.000 0.470 483 A N 1.051 123.874 122.820 0.006 0.000 2.507 483 A HA 0.308 4.607 4.320 -0.035 0.000 0.270 483 A C 0.218 177.747 177.584 -0.092 0.000 1.318 483 A CA -0.259 51.781 52.037 0.004 0.000 0.924 483 A CB 0.264 19.306 19.000 0.069 0.000 1.061 483 A HN 0.112 nan 8.150 nan 0.000 0.516 484 V N 2.877 122.666 119.914 -0.208 0.000 2.294 484 V HA 0.377 4.476 4.120 -0.035 0.000 0.272 484 V C -0.358 175.510 176.094 -0.376 0.000 1.027 484 V CA -0.690 61.297 62.300 -0.522 0.000 0.823 484 V CB 0.451 31.847 31.823 -0.712 0.000 1.030 484 V HN 0.468 nan 8.190 nan 0.000 0.457 485 R N 3.509 123.800 120.500 -0.348 0.000 2.787 485 R HA 0.687 5.005 4.340 -0.035 0.000 0.271 485 R C -0.165 176.078 176.300 -0.095 0.000 0.993 485 R CA -0.732 55.291 56.100 -0.130 0.000 0.993 485 R CB 2.085 32.406 30.300 0.036 0.000 1.155 485 R HN 0.884 nan 8.270 nan 0.000 0.486 486 E N 0.139 120.395 120.200 0.094 0.000 2.299 486 E HA 0.712 5.041 4.350 -0.035 0.000 0.265 486 E C -0.926 175.876 176.600 0.336 0.000 0.911 486 E CA -1.120 55.362 56.400 0.137 0.000 0.789 486 E CB 1.805 31.545 29.700 0.067 0.000 1.246 486 E HN 0.533 nan 8.360 nan 0.000 0.427 487 A N 1.194 124.208 122.820 0.325 0.000 2.366 487 A HA 0.287 4.586 4.320 -0.035 0.000 0.249 487 A C -0.293 177.390 177.584 0.164 0.000 1.084 487 A CA -0.102 52.142 52.037 0.345 0.000 0.794 487 A CB 0.394 19.584 19.000 0.317 0.000 1.034 487 A HN 0.695 nan 8.150 nan 0.000 0.491 488 D N 0.185 120.633 120.400 0.080 0.000 2.668 488 D HA 0.407 5.026 4.640 -0.035 0.000 0.247 488 D C 0.718 177.014 176.300 -0.007 0.000 1.268 488 D CA 0.290 54.306 54.000 0.025 0.000 0.842 488 D CB 0.634 41.431 40.800 -0.005 0.000 1.399 488 D HN 0.478 nan 8.370 nan 0.000 0.530 489 A N 2.645 125.479 122.820 0.025 0.000 1.978 489 A HA -0.173 4.125 4.320 -0.035 0.000 0.220 489 A C 2.071 179.648 177.584 -0.012 0.000 1.170 489 A CA 1.273 53.319 52.037 0.015 0.000 0.636 489 A CB -0.239 18.787 19.000 0.043 0.000 0.810 489 A HN 0.487 nan 8.150 nan 0.000 0.448 490 R N -0.149 120.345 120.500 -0.011 0.000 2.120 490 R HA -0.123 4.196 4.340 -0.035 0.000 0.234 490 R C 1.435 177.708 176.300 -0.044 0.000 1.123 490 R CA 1.856 57.942 56.100 -0.024 0.000 0.975 490 R CB -0.307 29.984 30.300 -0.015 0.000 0.866 490 R HN 0.606 nan 8.270 nan 0.000 0.446 491 T N -3.295 111.229 114.554 -0.050 0.000 3.214 491 T HA 0.244 4.573 4.350 -0.035 0.000 0.264 491 T C 0.773 175.420 174.700 -0.089 0.000 1.012 491 T CA 0.148 62.209 62.100 -0.066 0.000 0.901 491 T CB 0.750 69.583 68.868 -0.059 0.000 1.070 491 T HN 0.339 nan 8.240 nan 0.000 0.561 492 G N 2.493 111.242 108.800 -0.084 0.000 2.390 492 G HA2 -0.350 3.589 3.960 -0.035 0.000 0.299 492 G HA3 -0.350 3.589 3.960 -0.035 0.000 0.299 492 G C 0.048 174.851 174.900 -0.163 0.000 1.002 492 G CA 0.289 45.333 45.100 -0.093 0.000 0.979 492 G HN 0.929 nan 8.290 nan 0.000 0.513 493 R N 0.441 120.809 120.500 -0.220 0.000 2.522 493 R HA 0.442 4.761 4.340 -0.035 0.000 0.284 493 R C 0.857 176.762 176.300 -0.659 0.000 1.032 493 R CA 0.879 56.726 56.100 -0.423 0.000 1.049 493 R CB 0.277 30.317 30.300 -0.435 0.000 0.956 493 R HN 0.472 nan 8.270 nan 0.000 0.422 494 T N 0.627 114.703 114.554 -0.796 0.000 2.804 494 T HA 0.532 4.861 4.350 -0.035 0.000 0.290 494 T C -1.073 173.077 174.700 -0.918 0.000 1.099 494 T CA -0.957 60.667 62.100 -0.793 0.000 1.011 494 T CB 1.234 69.788 68.868 -0.524 0.000 1.291 494 T HN 0.569 nan 8.240 nan 0.000 0.523 495 W N 0.586 121.826 121.300 -0.100 0.000 2.781 495 W HA 0.590 5.229 4.660 -0.035 0.000 0.333 495 W C -1.550 174.952 176.519 -0.029 0.000 1.047 495 W CA -1.040 56.278 57.345 -0.045 0.000 1.236 495 W CB 1.750 31.192 29.460 -0.029 0.000 1.394 495 W HN 0.486 nan 8.180 nan 0.000 0.466 496 I N 4.403 125.068 120.570 0.159 0.000 2.354 496 I HA 0.280 4.429 4.170 -0.035 0.000 0.292 496 I C 0.087 176.296 176.117 0.154 0.000 0.989 496 I CA -0.624 60.752 61.300 0.127 0.000 1.188 496 I CB 0.949 38.992 38.000 0.072 0.000 1.342 496 I HN 0.049 nan 8.210 nan 0.000 0.457 497 I N 5.734 126.402 120.570 0.164 0.000 2.312 497 I HA 0.415 4.564 4.170 -0.035 0.000 0.290 497 I C 0.366 176.574 176.117 0.151 0.000 1.008 497 I CA -0.104 61.285 61.300 0.149 0.000 1.226 497 I CB 0.655 38.737 38.000 0.137 0.000 1.371 497 I HN 0.666 nan 8.210 nan 0.000 0.468 498 S N 5.330 121.106 115.700 0.127 0.000 2.671 498 S HA 0.550 4.999 4.470 -0.035 0.000 0.299 498 S C -0.630 174.031 174.600 0.102 0.000 1.116 498 S CA -0.883 57.391 58.200 0.123 0.000 0.912 498 S CB 2.805 66.063 63.200 0.097 0.000 1.130 498 S HN 0.564 nan 8.310 nan 0.000 0.501 499 N N 1.812 120.565 118.700 0.089 0.000 2.518 499 N HA 0.378 5.097 4.740 -0.035 0.000 0.254 499 N C -1.962 173.573 175.510 0.042 0.000 0.979 499 N CA -2.296 50.792 53.050 0.063 0.000 0.930 499 N CB 1.669 40.187 38.487 0.050 0.000 1.152 499 N HN 0.405 nan 8.380 nan 0.000 0.505 500 P HA -0.063 nan 4.420 nan 0.000 0.225 500 P C 0.195 177.506 177.300 0.018 0.000 1.148 500 P CA 1.129 64.247 63.100 0.031 0.000 0.779 500 P CB 0.597 32.319 31.700 0.037 0.000 0.780 501 E N -0.812 119.398 120.200 0.017 0.000 2.474 501 E HA 0.108 4.437 4.350 -0.035 0.000 0.195 501 E C 0.307 176.901 176.600 -0.010 0.000 1.039 501 E CA -0.060 56.344 56.400 0.007 0.000 0.881 501 E CB 0.312 30.020 29.700 0.013 0.000 0.970 501 E HN 0.017 nan 8.360 nan 0.000 0.486 502 S N 1.007 116.696 115.700 -0.019 0.000 2.640 502 S HA 0.326 4.775 4.470 -0.035 0.000 0.320 502 S C -0.923 173.639 174.600 -0.063 0.000 1.097 502 S CA -0.740 57.430 58.200 -0.050 0.000 1.092 502 S CB 0.407 63.565 63.200 -0.071 0.000 0.988 502 S HN -0.045 nan 8.310 nan 0.000 0.470 503 K N 2.893 123.254 120.400 -0.066 0.000 2.208 503 K HA 0.437 4.735 4.320 -0.035 0.000 0.247 503 K C -0.114 176.432 176.600 -0.089 0.000 0.953 503 K CA -1.046 55.203 56.287 -0.064 0.000 0.837 503 K CB 0.994 33.472 32.500 -0.038 0.000 1.131 503 K HN 0.745 nan 8.250 nan 0.000 0.431 504 N N 0.275 118.925 118.700 -0.084 0.000 2.366 504 N HA 0.033 4.752 4.740 -0.035 0.000 0.277 504 N C 0.706 176.184 175.510 -0.054 0.000 1.275 504 N CA -0.530 52.467 53.050 -0.088 0.000 0.964 504 N CB 0.303 38.746 38.487 -0.074 0.000 1.167 504 N HN 0.573 nan 8.380 nan 0.000 0.568 505 R N -0.668 119.808 120.500 -0.041 0.000 2.241 505 R HA 0.011 4.330 4.340 -0.035 0.000 0.224 505 R C 0.531 176.819 176.300 -0.020 0.000 1.101 505 R CA 1.079 57.163 56.100 -0.027 0.000 0.995 505 R CB -0.707 29.582 30.300 -0.018 0.000 0.870 505 R HN 0.558 nan 8.270 nan 0.000 0.463 506 L N 1.224 122.436 121.223 -0.020 0.000 2.629 506 L HA 0.142 4.461 4.340 -0.035 0.000 0.230 506 L C 0.345 177.206 176.870 -0.015 0.000 1.151 506 L CA 0.053 54.884 54.840 -0.015 0.000 0.924 506 L CB -0.668 41.384 42.059 -0.011 0.000 1.137 506 L HN 0.478 nan 8.230 nan 0.000 0.457 507 N N 1.003 119.691 118.700 -0.020 0.000 2.776 507 N HA -0.190 4.529 4.740 -0.035 0.000 0.250 507 N C 0.068 175.569 175.510 -0.015 0.000 1.112 507 N CA 0.243 53.282 53.050 -0.018 0.000 0.733 507 N CB -0.152 38.327 38.487 -0.013 0.000 1.097 507 N HN 0.342 nan 8.380 nan 0.000 0.558 508 E N 0.588 120.777 120.200 -0.018 0.000 2.183 508 E HA 0.494 4.823 4.350 -0.035 0.000 0.271 508 E C -2.573 174.018 176.600 -0.015 0.000 0.919 508 E CA -2.008 54.385 56.400 -0.011 0.000 0.781 508 E CB 1.261 30.957 29.700 -0.007 0.000 1.140 508 E HN 0.054 nan 8.360 nan 0.000 0.402 509 P HA -0.046 nan 4.420 nan 0.000 0.264 509 P C -0.725 176.581 177.300 0.011 0.000 1.193 509 P CA -0.128 62.974 63.100 0.004 0.000 0.763 509 P CB 0.380 32.094 31.700 0.022 0.000 0.810 510 V N 1.740 121.651 119.914 -0.005 0.000 2.924 510 V HA 0.812 4.911 4.120 -0.035 0.000 0.305 510 V C 0.515 176.709 176.094 0.167 0.000 1.073 510 V CA 0.152 62.466 62.300 0.023 0.000 1.098 510 V CB 0.517 32.250 31.823 -0.149 0.000 1.000 510 V HN 0.738 nan 8.190 nan 0.000 0.484 511 G N 1.939 110.896 108.800 0.262 0.000 2.559 511 G HA2 0.577 4.516 3.960 -0.035 0.000 0.291 511 G HA3 0.577 4.516 3.960 -0.035 0.000 0.291 511 G C -2.361 172.680 174.900 0.236 0.000 1.424 511 G CA -0.729 44.529 45.100 0.263 0.000 0.786 511 G HN 0.739 nan 8.290 nan 0.000 0.485 512 Y N 0.033 120.364 120.300 0.053 0.000 2.425 512 Y HA 0.621 5.150 4.550 -0.035 0.000 0.344 512 Y C 0.203 176.147 175.900 0.073 0.000 0.969 512 Y CA -0.791 57.326 58.100 0.029 0.000 1.052 512 Y CB 2.710 41.152 38.460 -0.030 0.000 1.215 512 Y HN 0.498 nan 8.280 nan 0.000 0.451 513 K N 4.073 124.554 120.400 0.135 0.000 2.235 513 K HA 0.512 4.811 4.320 -0.035 0.000 0.266 513 K C -1.579 175.128 176.600 0.178 0.000 0.980 513 K CA -0.847 55.502 56.287 0.104 0.000 0.849 513 K CB 0.906 33.419 32.500 0.022 0.000 1.098 513 K HN 0.630 nan 8.250 nan 0.000 0.445 514 L N 4.976 126.281 121.223 0.136 0.000 2.265 514 L HA 0.298 4.617 4.340 -0.035 0.000 0.288 514 L C -1.384 175.531 176.870 0.074 0.000 1.058 514 L CA 0.074 55.023 54.840 0.182 0.000 0.809 514 L CB 0.520 42.669 42.059 0.151 0.000 1.179 514 L HN 0.649 nan 8.230 nan 0.000 0.429 515 H N 4.518 123.690 119.070 0.171 0.000 2.541 515 H HA 0.718 5.253 4.556 -0.035 0.000 0.316 515 H C -0.040 175.420 175.328 0.219 0.000 1.043 515 H CA 0.073 56.218 56.048 0.162 0.000 1.232 515 H CB 1.336 31.181 29.762 0.138 0.000 1.406 515 H HN 0.889 nan 8.280 nan 0.000 0.469 516 A N 2.226 125.234 122.820 0.313 0.000 2.264 516 A HA 0.228 4.527 4.320 -0.035 0.000 0.304 516 A C 0.378 178.254 177.584 0.486 0.000 1.100 516 A CA -0.527 51.733 52.037 0.373 0.000 0.839 516 A CB 0.521 19.776 19.000 0.425 0.000 1.121 516 A HN 1.026 nan 8.150 nan 0.000 0.496 517 H N -0.107 119.150 119.070 0.312 0.000 2.551 517 H HA 0.051 4.585 4.556 -0.035 0.000 0.266 517 H C -0.160 175.292 175.328 0.206 0.000 0.964 517 H CA 0.407 56.589 56.048 0.225 0.000 1.180 517 H CB -0.040 29.849 29.762 0.211 0.000 1.408 517 H HN 0.906 nan 8.280 nan 0.000 0.563 518 N N 1.596 120.521 118.700 0.374 0.000 2.754 518 N HA -0.165 4.554 4.740 -0.035 0.000 0.248 518 N C -0.665 174.981 175.510 0.226 0.000 1.093 518 N CA -0.212 53.004 53.050 0.277 0.000 0.699 518 N CB -0.389 38.218 38.487 0.201 0.000 1.016 518 N HN 0.359 nan 8.380 nan 0.000 0.552 519 Q N 0.066 120.018 119.800 0.252 0.000 2.382 519 Q HA 0.321 4.640 4.340 -0.035 0.000 0.229 519 Q C -1.972 174.116 176.000 0.147 0.000 1.006 519 Q CA -1.075 54.842 55.803 0.190 0.000 0.916 519 Q CB 0.123 28.988 28.738 0.211 0.000 1.235 519 Q HN 0.110 nan 8.270 nan 0.000 0.512 520 P HA 0.006 nan 4.420 nan 0.000 0.268 520 P C -0.286 177.043 177.300 0.048 0.000 1.205 520 P CA 0.254 63.395 63.100 0.069 0.000 0.771 520 P CB 0.476 32.205 31.700 0.048 0.000 0.858 521 T N 0.209 114.783 114.554 0.035 0.000 2.891 521 T HA 0.320 4.649 4.350 -0.035 0.000 0.294 521 T C 0.276 174.948 174.700 -0.047 0.000 1.065 521 T CA -0.931 61.169 62.100 -0.000 0.000 0.936 521 T CB 0.092 68.970 68.868 0.017 0.000 1.415 521 T HN 0.176 nan 8.240 nan 0.000 0.572 522 L N 1.026 122.194 121.223 -0.092 0.000 2.628 522 L HA 0.116 4.435 4.340 -0.035 0.000 0.274 522 L C 0.816 177.647 176.870 -0.066 0.000 1.209 522 L CA 0.292 55.063 54.840 -0.115 0.000 0.930 522 L CB -0.494 41.471 42.059 -0.158 0.000 1.183 522 L HN 0.650 nan 8.230 nan 0.000 0.492 523 L N 5.008 126.194 121.223 -0.062 0.000 2.375 523 L HA 0.214 4.533 4.340 -0.035 0.000 0.215 523 L C 1.474 178.337 176.870 -0.011 0.000 1.108 523 L CA 0.268 55.093 54.840 -0.024 0.000 0.830 523 L CB -0.544 41.505 42.059 -0.017 0.000 0.959 523 L HN 0.846 nan 8.230 nan 0.000 0.457 524 A N 0.686 123.491 122.820 -0.025 0.000 2.583 524 A HA -0.126 4.173 4.320 -0.035 0.000 0.231 524 A C 0.306 177.894 177.584 0.006 0.000 1.065 524 A CA -0.013 52.022 52.037 -0.004 0.000 0.760 524 A CB -0.081 18.913 19.000 -0.011 0.000 1.001 524 A HN 0.277 nan 8.150 nan 0.000 0.509 525 D N 1.570 121.982 120.400 0.020 0.000 2.488 525 D HA 0.058 4.677 4.640 -0.035 0.000 0.238 525 D C -1.454 174.855 176.300 0.014 0.000 1.138 525 D CA -1.074 52.939 54.000 0.021 0.000 0.873 525 D CB 0.827 41.645 40.800 0.030 0.000 1.183 525 D HN 0.155 nan 8.370 nan 0.000 0.458 526 P HA -0.075 nan 4.420 nan 0.000 0.218 526 P C 0.932 178.238 177.300 0.009 0.000 1.146 526 P CA 1.117 64.222 63.100 0.008 0.000 0.813 526 P CB 0.183 31.888 31.700 0.009 0.000 0.778 527 G N -1.285 107.523 108.800 0.013 0.000 3.088 527 G HA2 0.052 3.991 3.960 -0.035 0.000 0.217 527 G HA3 0.052 3.991 3.960 -0.035 0.000 0.217 527 G C 0.386 175.294 174.900 0.014 0.000 1.159 527 G CA 0.060 45.167 45.100 0.012 0.000 0.760 527 G HN 0.360 nan 8.290 nan 0.000 0.550 528 S N -0.510 115.201 115.700 0.019 0.000 2.600 528 S HA 0.263 4.712 4.470 -0.035 0.000 0.265 528 S C 1.592 176.192 174.600 0.001 0.000 1.325 528 S CA 0.462 58.680 58.200 0.030 0.000 1.002 528 S CB 1.629 64.856 63.200 0.045 0.000 0.921 528 S HN 0.071 nan 8.310 nan 0.000 0.554 529 S N 0.348 116.035 115.700 -0.021 0.000 2.368 529 S HA -0.115 4.334 4.470 -0.035 0.000 0.224 529 S C 1.650 176.218 174.600 -0.052 0.000 1.029 529 S CA 0.978 59.110 58.200 -0.113 0.000 0.988 529 S CB -0.782 62.200 63.200 -0.364 0.000 0.838 529 S HN 0.696 nan 8.310 nan 0.000 0.462 530 I N 2.025 122.602 120.570 0.012 0.000 2.394 530 I HA 0.085 4.234 4.170 -0.035 0.000 0.251 530 I C 2.254 178.388 176.117 0.027 0.000 1.136 530 I CA 1.172 62.509 61.300 0.061 0.000 1.425 530 I CB -0.811 37.224 38.000 0.058 0.000 1.079 530 I HN 0.310 nan 8.210 nan 0.000 0.425 531 A N 0.385 123.205 122.820 0.002 0.000 2.019 531 A HA -0.161 4.138 4.320 -0.035 0.000 0.219 531 A C 2.425 180.006 177.584 -0.005 0.000 1.164 531 A CA 1.480 53.508 52.037 -0.015 0.000 0.644 531 A CB -0.512 18.484 19.000 -0.007 0.000 0.805 531 A HN 0.471 nan 8.150 nan 0.000 0.449 532 R N -1.054 119.446 120.500 0.001 0.000 2.090 532 R HA 0.085 4.404 4.340 -0.035 0.000 0.219 532 R C 2.255 178.562 176.300 0.012 0.000 1.100 532 R CA 0.863 56.963 56.100 0.000 0.000 0.991 532 R CB -0.197 30.095 30.300 -0.014 0.000 0.893 532 R HN 0.421 nan 8.270 nan 0.000 0.443 533 R N 0.487 121.008 120.500 0.035 0.000 2.148 533 R HA 0.062 4.380 4.340 -0.035 0.000 0.223 533 R C 0.919 177.323 176.300 0.172 0.000 1.088 533 R CA 1.099 57.231 56.100 0.054 0.000 0.985 533 R CB 0.221 30.546 30.300 0.042 0.000 0.880 533 R HN 0.058 nan 8.270 nan 0.000 0.451 534 A N 0.117 123.044 122.820 0.179 0.000 2.985 534 A HA 0.499 4.798 4.320 -0.035 0.000 0.303 534 A C 1.162 178.656 177.584 -0.151 0.000 1.048 534 A CA -0.075 52.041 52.037 0.131 0.000 1.016 534 A CB 0.304 19.305 19.000 0.002 0.000 1.118 534 A HN 0.230 nan 8.150 nan 0.000 0.529 535 A N 0.370 123.180 122.820 -0.017 0.000 1.940 535 A HA -0.064 4.235 4.320 -0.035 0.000 0.219 535 A C 1.804 179.398 177.584 0.015 0.000 1.176 535 A CA 1.872 53.905 52.037 -0.006 0.000 0.631 535 A CB -0.956 18.059 19.000 0.025 0.000 0.814 535 A HN 1.371 nan 8.150 nan 0.000 0.446 536 F N -0.105 119.734 119.950 -0.185 0.000 2.202 536 F HA -0.005 4.501 4.527 -0.036 0.000 0.301 536 F C 2.065 177.951 175.800 0.143 0.000 1.082 536 F CA 0.795 58.611 58.000 -0.306 0.000 1.313 536 F CB -1.016 37.653 39.000 -0.551 0.000 1.024 536 F HN 0.152 nan 8.300 nan 0.000 0.495 537 A N 0.507 122.641 122.820 -1.143 0.000 2.209 537 A HA -0.037 4.262 4.320 -0.035 0.000 0.212 537 A C 2.110 179.552 177.584 -0.236 0.000 1.158 537 A CA 1.421 52.986 52.037 -0.787 0.000 0.742 537 A CB -1.536 16.856 19.000 -1.013 0.000 0.790 537 A HN 0.592 nan 8.150 nan 0.000 0.472 538 T N -3.478 111.032 114.554 -0.072 0.000 3.113 538 T HA 0.181 4.510 4.350 -0.035 0.000 0.256 538 T C 0.591 175.318 174.700 0.044 0.000 1.131 538 T CA 0.281 62.383 62.100 0.003 0.000 1.074 538 T CB 0.092 68.979 68.868 0.031 0.000 0.944 538 T HN 0.121 nan 8.240 nan 0.000 0.516 539 K N 0.956 121.436 120.400 0.133 0.000 2.469 539 K HA 0.396 4.694 4.320 -0.035 0.000 0.254 539 K C -0.497 176.176 176.600 0.120 0.000 0.939 539 K CA -0.527 55.768 56.287 0.014 0.000 0.812 539 K CB 2.147 34.435 32.500 -0.353 0.000 1.301 539 K HN -0.061 nan 8.250 nan 0.000 0.433 540 D N 0.291 120.720 120.400 0.048 0.000 2.162 540 D HA -0.023 4.596 4.640 -0.035 0.000 0.203 540 D C -0.008 176.347 176.300 0.092 0.000 0.967 540 D CA 0.813 54.887 54.000 0.124 0.000 0.840 540 D CB 0.289 41.198 40.800 0.182 0.000 0.972 540 D HN 0.108 nan 8.370 nan 0.000 0.482 541 L N -0.192 120.924 121.223 -0.179 0.000 2.464 541 L HA 0.449 4.768 4.340 -0.035 0.000 0.266 541 L C -1.978 174.772 176.870 -0.199 0.000 0.965 541 L CA -0.604 54.089 54.840 -0.246 0.000 0.833 541 L CB 1.459 42.930 42.059 -0.979 0.000 1.296 541 L HN -0.120 nan 8.230 nan 0.000 0.405 542 W N 4.237 125.528 121.300 -0.015 0.000 2.819 542 W HA 0.777 5.416 4.660 -0.035 0.000 0.337 542 W C -1.135 175.487 176.519 0.173 0.000 1.077 542 W CA -0.842 56.530 57.345 0.045 0.000 1.226 542 W CB 2.005 31.468 29.460 0.005 0.000 1.419 542 W HN 0.153 nan 8.180 nan 0.000 0.502 543 V N 2.595 122.726 119.914 0.362 0.000 2.525 543 V HA 0.675 4.774 4.120 -0.035 0.000 0.299 543 V C -0.087 176.204 176.094 0.329 0.000 1.034 543 V CA -0.812 61.683 62.300 0.325 0.000 0.863 543 V CB 1.392 33.321 31.823 0.176 0.000 0.999 543 V HN 0.594 nan 8.190 nan 0.000 0.423 544 T N 1.645 116.443 114.554 0.406 0.000 2.930 544 T HA 0.760 5.089 4.350 -0.035 0.000 0.290 544 T C -0.442 174.396 174.700 0.230 0.000 1.052 544 T CA -0.955 61.337 62.100 0.320 0.000 1.017 544 T CB 2.138 71.250 68.868 0.407 0.000 1.137 544 T HN 0.499 nan 8.240 nan 0.000 0.511 545 R N 0.918 121.509 120.500 0.151 0.000 2.340 545 R HA 0.330 4.649 4.340 -0.035 0.000 0.300 545 R C -0.872 175.479 176.300 0.084 0.000 1.069 545 R CA -0.957 55.210 56.100 0.111 0.000 0.984 545 R CB -0.569 29.773 30.300 0.069 0.000 1.003 545 R HN 0.780 nan 8.270 nan 0.000 0.459 546 Y N 3.195 123.490 120.300 -0.009 0.000 2.712 546 Y HA 0.292 4.821 4.550 -0.035 0.000 0.333 546 Y C -0.724 175.121 175.900 -0.091 0.000 1.225 546 Y CA 0.893 58.957 58.100 -0.061 0.000 1.499 546 Y CB 0.418 38.806 38.460 -0.120 0.000 1.288 546 Y HN 0.749 nan 8.280 nan 0.000 0.575 547 A N 4.902 127.006 122.820 -1.193 0.000 2.515 547 A HA 0.350 4.649 4.320 -0.035 0.000 0.298 547 A C 0.051 176.950 177.584 -1.140 0.000 1.059 547 A CA -0.642 50.832 52.037 -0.938 0.000 0.698 547 A CB 1.120 19.816 19.000 -0.507 0.000 1.289 547 A HN 0.750 nan 8.150 nan 0.000 0.404 548 D N 0.564 120.563 120.400 -0.669 0.000 2.144 548 D HA -0.111 4.508 4.640 -0.035 0.000 0.199 548 D C 0.928 177.056 176.300 -0.287 0.000 0.984 548 D CA 2.194 55.986 54.000 -0.346 0.000 0.834 548 D CB 0.160 40.879 40.800 -0.135 0.000 0.955 548 D HN 0.698 nan 8.370 nan 0.000 0.465 549 D N -0.248 119.974 120.400 -0.298 0.000 2.340 549 D HA -0.027 4.592 4.640 -0.035 0.000 0.217 549 D C -0.243 175.858 176.300 -0.331 0.000 1.081 549 D CA 0.014 53.870 54.000 -0.240 0.000 0.842 549 D CB -0.512 40.196 40.800 -0.153 0.000 0.934 549 D HN 0.122 nan 8.370 nan 0.000 0.511 550 E N 0.650 120.566 120.200 -0.474 0.000 2.167 550 E HA 0.325 4.654 4.350 -0.035 0.000 0.247 550 E C 0.520 176.960 176.600 -0.266 0.000 0.961 550 E CA -0.272 55.750 56.400 -0.631 0.000 0.797 550 E CB 1.024 30.111 29.700 -1.020 0.000 1.182 550 E HN 0.134 nan 8.360 nan 0.000 0.437 551 R N 1.271 121.595 120.500 -0.294 0.000 2.142 551 R HA 0.123 4.442 4.340 -0.035 0.000 0.204 551 R C -0.062 175.969 176.300 -0.448 0.000 1.059 551 R CA 0.563 56.347 56.100 -0.526 0.000 1.055 551 R CB 0.413 30.062 30.300 -1.084 0.000 0.976 551 R HN 0.273 nan 8.270 nan 0.000 0.483 552 Y N 0.563 120.982 120.300 0.199 0.000 2.446 552 Y HA 0.306 4.835 4.550 -0.034 0.000 0.345 552 Y C -1.759 174.118 175.900 -0.038 0.000 0.984 552 Y CA -3.305 54.868 58.100 0.122 0.000 1.058 552 Y CB 1.056 39.477 38.460 -0.064 0.000 1.220 552 Y HN -0.161 nan 8.280 nan 0.000 0.455 553 P HA -0.104 nan 4.420 nan 0.000 0.225 553 P C 0.635 177.635 177.300 -0.500 0.000 1.148 553 P CA 1.507 64.230 63.100 -0.629 0.000 0.779 553 P CB 0.129 31.320 31.700 -0.848 0.000 0.780 554 T N -4.692 109.686 114.554 -0.293 0.000 3.129 554 T HA 0.515 4.844 4.350 -0.035 0.000 0.267 554 T C 0.868 175.423 174.700 -0.243 0.000 1.018 554 T CA 0.048 62.013 62.100 -0.225 0.000 0.903 554 T CB -0.154 68.638 68.868 -0.127 0.000 1.067 554 T HN 0.333 nan 8.240 nan 0.000 0.549 555 G N 1.562 110.272 108.800 -0.149 0.000 2.796 555 G HA2 -0.171 3.768 3.960 -0.035 0.000 0.571 555 G HA3 -0.171 3.768 3.960 -0.035 0.000 0.571 555 G C -0.190 174.689 174.900 -0.036 0.000 1.370 555 G CA -0.153 44.888 45.100 -0.099 0.000 0.856 555 G HN 0.201 nan 8.290 nan 0.000 0.538 556 D N -0.547 119.764 120.400 -0.148 0.000 2.277 556 D HA 0.112 4.730 4.640 -0.035 0.000 0.208 556 D C 0.770 176.531 176.300 -0.899 0.000 0.962 556 D CA 1.378 55.111 54.000 -0.444 0.000 0.865 556 D CB 0.000 40.362 40.800 -0.730 0.000 0.939 556 D HN 0.244 nan 8.370 nan 0.000 0.510 557 F N 0.072 119.918 119.950 -0.173 0.000 2.676 557 F HA 0.208 4.714 4.527 -0.036 0.000 0.371 557 F C 1.043 176.706 175.800 -0.229 0.000 1.141 557 F CA -0.635 57.239 58.000 -0.210 0.000 1.133 557 F CB 1.272 40.146 39.000 -0.210 0.000 1.376 557 F HN -0.361 nan 8.300 nan 0.000 0.491 558 V N -0.017 119.806 119.914 -0.150 0.000 2.535 558 V HA -0.151 3.948 4.120 -0.035 0.000 0.246 558 V C 1.181 177.146 176.094 -0.215 0.000 1.045 558 V CA 0.575 62.705 62.300 -0.283 0.000 1.058 558 V CB -0.538 31.031 31.823 -0.423 0.000 0.689 558 V HN 0.659 nan 8.190 nan 0.000 0.461 559 N N 1.618 120.254 118.700 -0.105 0.000 2.374 559 N HA -0.085 4.634 4.740 -0.035 0.000 0.269 559 N C 0.332 175.815 175.510 -0.044 0.000 1.310 559 N CA 0.710 53.721 53.050 -0.066 0.000 0.877 559 N CB -0.409 38.049 38.487 -0.048 0.000 1.096 559 N HN 0.452 nan 8.380 nan 0.000 0.484 560 Q N 0.662 120.434 119.800 -0.046 0.000 2.439 560 Q HA -0.297 4.022 4.340 -0.035 0.000 0.325 560 Q C -0.988 174.990 176.000 -0.038 0.000 1.372 560 Q CA 0.794 56.571 55.803 -0.042 0.000 0.909 560 Q CB -1.335 27.373 28.738 -0.050 0.000 1.167 560 Q HN 0.628 nan 8.270 nan 0.000 0.418 561 H N -0.457 118.530 119.070 -0.139 0.000 2.489 561 H HA 0.231 4.766 4.556 -0.036 0.000 0.343 561 H C 1.154 176.403 175.328 -0.133 0.000 1.086 561 H CA 0.311 56.283 56.048 -0.126 0.000 1.198 561 H CB 1.268 30.956 29.762 -0.122 0.000 1.490 561 H HN 0.264 nan 8.280 nan 0.000 0.504 562 S N 3.491 118.918 115.700 -0.456 0.000 2.381 562 S HA -0.076 4.373 4.470 -0.035 0.000 0.230 562 S C 1.109 175.687 174.600 -0.036 0.000 1.052 562 S CA 1.081 59.131 58.200 -0.250 0.000 1.068 562 S CB -0.447 62.567 63.200 -0.310 0.000 0.918 562 S HN 1.207 nan 8.310 nan 0.000 0.448 563 G N -1.536 107.404 108.800 0.234 0.000 2.371 563 G HA2 0.483 4.422 3.960 -0.035 0.000 0.663 563 G HA3 0.483 4.422 3.960 -0.035 0.000 0.663 563 G C 0.557 175.515 174.900 0.098 0.000 1.311 563 G CA 0.253 45.448 45.100 0.159 0.000 0.985 563 G HN 1.688 nan 8.290 nan 0.000 0.566 564 G N -1.012 107.787 108.800 -0.003 0.000 2.417 564 G HA2 0.197 4.136 3.960 -0.035 0.000 0.233 564 G HA3 0.197 4.136 3.960 -0.035 0.000 0.233 564 G C 1.593 176.415 174.900 -0.130 0.000 1.103 564 G CA 1.575 46.648 45.100 -0.045 0.000 0.647 564 G HN 2.638 nan 8.290 nan 0.000 0.512 565 A N 0.273 123.010 122.820 -0.138 0.000 2.454 565 A HA 0.648 4.947 4.320 -0.035 0.000 0.256 565 A C 2.188 179.502 177.584 -0.450 0.000 1.132 565 A CA 2.476 54.353 52.037 -0.267 0.000 0.810 565 A CB -0.503 18.301 19.000 -0.326 0.000 1.083 565 A HN 2.719 nan 8.150 nan 0.000 0.516 566 G N -1.811 106.580 108.800 -0.681 0.000 2.542 566 G HA2 -0.179 3.760 3.960 -0.035 0.000 0.235 566 G HA3 -0.179 3.760 3.960 -0.035 0.000 0.235 566 G C 0.740 174.666 174.900 -1.625 0.000 1.286 566 G CA 0.152 44.609 45.100 -1.071 0.000 0.904 566 G HN 1.239 nan 8.290 nan 0.000 0.577 567 L N 1.283 121.732 121.223 -1.289 0.000 2.034 567 L HA -0.155 4.164 4.340 -0.035 0.000 0.217 567 L C 0.313 176.814 176.870 -0.615 0.000 1.077 567 L CA 2.869 57.054 54.840 -1.093 0.000 0.769 567 L CB -1.409 39.740 42.059 -1.517 0.000 0.890 567 L HN 0.436 nan 8.230 nan 0.000 0.435 568 P HA -0.118 nan 4.420 nan 0.000 0.216 568 P C 1.681 178.902 177.300 -0.133 0.000 1.150 568 P CA 1.392 64.422 63.100 -0.116 0.000 0.837 568 P CB 0.102 31.755 31.700 -0.078 0.000 0.786 569 S N -1.692 113.837 115.700 -0.283 0.000 2.345 569 S HA -0.153 4.295 4.470 -0.035 0.000 0.219 569 S C 1.751 176.337 174.600 -0.023 0.000 1.031 569 S CA 1.142 59.244 58.200 -0.163 0.000 0.984 569 S CB -1.224 61.852 63.200 -0.205 0.000 0.874 569 S HN 0.094 nan 8.310 nan 0.000 0.451 570 Y N 1.927 122.161 120.300 -0.109 0.000 2.081 570 Y HA -0.085 4.444 4.550 -0.035 0.000 0.280 570 Y C 2.370 178.251 175.900 -0.032 0.000 1.163 570 Y CA -0.271 57.774 58.100 -0.092 0.000 1.135 570 Y CB -1.274 37.090 38.460 -0.160 0.000 0.970 570 Y HN 0.163 nan 8.280 nan 0.000 0.498 571 I N 0.202 120.858 120.570 0.142 0.000 2.315 571 I HA -0.307 3.842 4.170 -0.035 0.000 0.251 571 I C 2.483 178.658 176.117 0.095 0.000 1.125 571 I CA 1.489 62.872 61.300 0.138 0.000 1.392 571 I CB -1.649 36.466 38.000 0.191 0.000 1.065 571 I HN 0.192 nan 8.210 nan 0.000 0.424 572 A N 0.233 123.096 122.820 0.072 0.000 2.076 572 A HA -0.237 4.062 4.320 -0.035 0.000 0.220 572 A C 2.131 179.744 177.584 0.050 0.000 1.160 572 A CA 1.319 53.387 52.037 0.051 0.000 0.653 572 A CB -0.611 18.410 19.000 0.034 0.000 0.801 572 A HN 0.578 nan 8.150 nan 0.000 0.455 573 Q N -1.268 118.568 119.800 0.060 0.000 2.437 573 Q HA -0.085 4.234 4.340 -0.035 0.000 0.210 573 Q C 0.120 176.146 176.000 0.045 0.000 0.972 573 Q CA 0.433 56.264 55.803 0.047 0.000 0.903 573 Q CB -0.093 28.672 28.738 0.046 0.000 0.967 573 Q HN 0.589 nan 8.270 nan 0.000 0.486 574 D N 1.073 121.505 120.400 0.054 0.000 2.692 574 D HA -0.178 4.441 4.640 -0.035 0.000 0.233 574 D C -0.882 175.447 176.300 0.048 0.000 1.172 574 D CA 0.645 54.675 54.000 0.051 0.000 0.636 574 D CB -0.545 40.279 40.800 0.039 0.000 1.028 574 D HN 0.247 nan 8.370 nan 0.000 0.419 575 R N 0.380 120.912 120.500 0.053 0.000 2.637 575 R HA 0.314 4.632 4.340 -0.035 0.000 0.269 575 R C 0.300 176.632 176.300 0.054 0.000 1.089 575 R CA -0.582 55.547 56.100 0.048 0.000 1.177 575 R CB 0.401 30.727 30.300 0.044 0.000 1.091 575 R HN 0.144 nan 8.270 nan 0.000 0.540 576 D N 1.749 122.178 120.400 0.049 0.000 2.383 576 D HA 0.039 4.658 4.640 -0.035 0.000 0.252 576 D C 0.461 176.799 176.300 0.063 0.000 1.166 576 D CA -0.037 53.994 54.000 0.052 0.000 0.879 576 D CB 0.576 41.402 40.800 0.044 0.000 1.164 576 D HN 0.556 nan 8.370 nan 0.000 0.462 577 I N -0.205 120.408 120.570 0.070 0.000 4.102 577 I HA 0.336 4.485 4.170 -0.035 0.000 0.325 577 I C 0.112 176.276 176.117 0.080 0.000 1.471 577 I CA -0.503 60.847 61.300 0.083 0.000 1.133 577 I CB 0.500 38.559 38.000 0.099 0.000 1.184 577 I HN 0.084 nan 8.210 nan 0.000 0.451 578 D N 2.921 123.362 120.400 0.068 0.000 2.494 578 D HA 0.384 5.003 4.640 -0.035 0.000 0.217 578 D C 1.068 177.405 176.300 0.061 0.000 1.153 578 D CA 0.491 54.529 54.000 0.064 0.000 0.954 578 D CB 0.338 41.170 40.800 0.055 0.000 1.034 578 D HN 0.554 nan 8.370 nan 0.000 0.518 579 G N 3.081 111.922 108.800 0.069 0.000 2.325 579 G HA2 -0.168 3.770 3.960 -0.035 0.000 0.248 579 G HA3 -0.168 3.770 3.960 -0.035 0.000 0.248 579 G C -0.141 174.802 174.900 0.072 0.000 1.108 579 G CA -0.391 44.749 45.100 0.067 0.000 0.881 579 G HN 0.472 nan 8.290 nan 0.000 0.494 580 Q N -0.725 119.126 119.800 0.084 0.000 2.683 580 Q HA 0.398 4.717 4.340 -0.035 0.000 0.302 580 Q C -1.031 175.033 176.000 0.107 0.000 1.042 580 Q CA -0.931 54.923 55.803 0.085 0.000 0.773 580 Q CB 1.072 29.854 28.738 0.074 0.000 1.508 580 Q HN 0.214 nan 8.270 nan 0.000 0.459 581 D N 1.702 122.155 120.400 0.088 0.000 2.348 581 D HA 0.313 4.932 4.640 -0.035 0.000 0.259 581 D C -0.664 175.705 176.300 0.116 0.000 1.296 581 D CA -0.053 53.991 54.000 0.072 0.000 0.931 581 D CB -0.393 40.341 40.800 -0.109 0.000 1.067 581 D HN 0.349 nan 8.370 nan 0.000 0.503 582 I N 0.793 121.446 120.570 0.139 0.000 2.957 582 I HA 0.624 4.772 4.170 -0.035 0.000 0.310 582 I C -0.820 175.369 176.117 0.120 0.000 1.063 582 I CA -1.118 60.268 61.300 0.142 0.000 1.033 582 I CB 1.976 40.055 38.000 0.132 0.000 1.230 582 I HN -0.044 nan 8.210 nan 0.000 0.447 583 V N 3.594 123.579 119.914 0.119 0.000 2.588 583 V HA 0.550 4.649 4.120 -0.035 0.000 0.304 583 V C -0.328 175.765 176.094 -0.003 0.000 1.042 583 V CA -0.752 61.538 62.300 -0.018 0.000 0.877 583 V CB 1.659 33.416 31.823 -0.110 0.000 0.996 583 V HN 0.629 nan 8.190 nan 0.000 0.425 584 V N 3.705 123.556 119.914 -0.105 0.000 2.427 584 V HA 0.458 4.557 4.120 -0.035 0.000 0.286 584 V C -1.101 174.948 176.094 -0.075 0.000 1.034 584 V CA -0.460 61.848 62.300 0.014 0.000 0.893 584 V CB 1.585 33.409 31.823 0.001 0.000 0.982 584 V HN 0.920 nan 8.190 nan 0.000 0.452 585 W N 4.079 125.430 121.300 0.085 0.000 2.336 585 W HA 0.503 5.142 4.660 -0.036 0.000 0.315 585 W C -0.149 176.475 176.519 0.175 0.000 1.016 585 W CA -0.655 56.746 57.345 0.092 0.000 1.318 585 W CB 0.494 29.981 29.460 0.045 0.000 1.247 585 W HN 0.605 nan 8.180 nan 0.000 0.414 586 H N 1.722 120.885 119.070 0.156 0.000 2.519 586 H HA 0.494 5.030 4.556 -0.035 0.000 0.316 586 H C -0.320 175.194 175.328 0.310 0.000 1.065 586 H CA -0.255 55.844 56.048 0.085 0.000 1.264 586 H CB 0.953 30.560 29.762 -0.259 0.000 1.413 586 H HN 0.174 nan 8.280 nan 0.000 0.465 587 T N 7.330 121.923 114.554 0.065 0.000 2.806 587 T HA 0.416 4.745 4.350 -0.035 0.000 0.290 587 T C -0.965 173.670 174.700 -0.109 0.000 0.966 587 T CA -0.178 61.974 62.100 0.088 0.000 1.060 587 T CB -0.318 68.682 68.868 0.220 0.000 0.927 587 T HN 0.503 nan 8.240 nan 0.000 0.485 588 F N -0.072 119.775 119.950 -0.171 0.000 2.641 588 F HA 0.849 5.355 4.527 -0.035 0.000 0.308 588 F C -0.282 175.622 175.800 0.174 0.000 1.105 588 F CA -1.158 56.805 58.000 -0.061 0.000 0.964 588 F CB 1.077 40.006 39.000 -0.118 0.000 1.294 588 F HN 0.814 nan 8.300 nan 0.000 0.442 589 G N 1.528 110.435 108.800 0.179 0.000 2.495 589 G HA2 0.550 4.489 3.960 -0.035 0.000 0.294 589 G HA3 0.550 4.489 3.960 -0.035 0.000 0.294 589 G C -2.533 172.469 174.900 0.171 0.000 1.397 589 G CA -1.120 44.075 45.100 0.159 0.000 0.790 589 G HN 0.847 nan 8.290 nan 0.000 0.486 590 L N 0.565 121.888 121.223 0.166 0.000 2.317 590 L HA 0.575 4.894 4.340 -0.035 0.000 0.281 590 L C -0.025 176.845 176.870 -0.001 0.000 1.024 590 L CA -0.660 54.245 54.840 0.108 0.000 0.810 590 L CB 2.225 44.370 42.059 0.144 0.000 1.240 590 L HN 0.438 nan 8.230 nan 0.000 0.427 591 T N 1.129 115.635 114.554 -0.080 0.000 2.756 591 T HA 0.233 4.562 4.350 -0.035 0.000 0.290 591 T C -0.635 173.850 174.700 -0.358 0.000 0.985 591 T CA -0.227 61.713 62.100 -0.268 0.000 0.955 591 T CB 0.111 68.841 68.868 -0.230 0.000 0.930 591 T HN 0.421 nan 8.240 nan 0.000 0.451 592 H N 3.100 121.755 119.070 -0.692 0.000 2.581 592 H HA 0.390 4.926 4.556 -0.034 0.000 0.308 592 H C -1.127 173.715 175.328 -0.811 0.000 1.040 592 H CA -1.089 54.567 56.048 -0.653 0.000 1.231 592 H CB 0.357 29.762 29.762 -0.596 0.000 1.396 592 H HN 0.448 nan 8.280 nan 0.000 0.467 593 F N 6.627 126.497 119.950 -0.133 0.000 2.307 593 F HA 0.275 4.780 4.527 -0.036 0.000 0.369 593 F C -2.053 173.713 175.800 -0.056 0.000 1.076 593 F CA -2.561 55.212 58.000 -0.378 0.000 1.149 593 F CB 0.712 39.389 39.000 -0.539 0.000 1.410 593 F HN 0.512 nan 8.300 nan 0.000 0.481 594 P HA 0.017 nan 4.420 nan 0.000 0.263 594 P C -0.343 177.058 177.300 0.168 0.000 1.175 594 P CA 0.336 63.434 63.100 -0.002 0.000 0.761 594 P CB 0.577 32.242 31.700 -0.059 0.000 0.794 595 R N 1.734 122.355 120.500 0.201 0.000 2.828 595 R HA 0.372 4.691 4.340 -0.035 0.000 0.264 595 R C 1.149 177.531 176.300 0.137 0.000 1.022 595 R CA -1.034 55.154 56.100 0.146 0.000 1.021 595 R CB 0.430 30.811 30.300 0.136 0.000 1.163 595 R HN 0.082 nan 8.270 nan 0.000 0.494 596 V N 1.273 121.246 119.914 0.098 0.000 2.469 596 V HA -0.222 3.876 4.120 -0.035 0.000 0.251 596 V C 1.417 177.604 176.094 0.155 0.000 1.064 596 V CA 1.875 64.240 62.300 0.110 0.000 1.066 596 V CB -0.551 31.311 31.823 0.066 0.000 0.667 596 V HN 0.699 nan 8.190 nan 0.000 0.461 597 E N 0.018 120.291 120.200 0.121 0.000 2.401 597 E HA -0.156 4.172 4.350 -0.035 0.000 0.199 597 E C 1.601 178.273 176.600 0.120 0.000 1.023 597 E CA 0.840 57.302 56.400 0.103 0.000 0.859 597 E CB -0.222 29.521 29.700 0.071 0.000 0.780 597 E HN 0.596 nan 8.360 nan 0.000 0.523 598 D N -1.004 119.504 120.400 0.180 0.000 2.347 598 D HA -0.064 4.555 4.640 -0.035 0.000 0.213 598 D C -0.158 176.286 176.300 0.240 0.000 0.985 598 D CA 0.259 54.379 54.000 0.200 0.000 0.879 598 D CB 0.115 41.086 40.800 0.285 0.000 0.919 598 D HN 0.219 nan 8.370 nan 0.000 0.526 599 W N 2.507 123.831 121.300 0.041 0.000 2.551 599 W HA 0.197 4.834 4.660 -0.039 0.000 0.330 599 W C -1.815 174.729 176.519 0.042 0.000 1.063 599 W CA -1.973 55.396 57.345 0.040 0.000 1.222 599 W CB 2.039 31.520 29.460 0.037 0.000 1.349 599 W HN -0.189 nan 8.180 nan 0.000 0.536 600 P HA 0.070 nan 4.420 nan 0.000 0.231 600 P C 0.072 176.923 177.300 -0.747 0.000 1.168 600 P CA 0.896 63.078 63.100 -1.529 0.000 0.779 600 P CB 1.447 32.540 31.700 -1.012 0.000 0.844 601 I N 0.326 120.646 120.570 -0.417 0.000 2.686 601 I HA 0.329 4.478 4.170 -0.035 0.000 0.295 601 I C -0.468 175.520 176.117 -0.216 0.000 1.114 601 I CA -1.944 59.107 61.300 -0.414 0.000 1.038 601 I CB 2.491 39.985 38.000 -0.843 0.000 1.238 601 I HN -0.253 nan 8.210 nan 0.000 0.420 602 M N 7.665 127.184 119.600 -0.135 0.000 2.277 602 M HA 0.666 5.125 4.480 -0.035 0.000 0.350 602 M C -2.686 173.573 176.300 -0.069 0.000 1.180 602 M CA -1.399 53.877 55.300 -0.041 0.000 1.103 602 M CB 0.977 33.611 32.600 0.056 0.000 1.577 602 M HN 0.180 nan 8.290 nan 0.000 0.459 603 P HA 0.188 nan 4.420 nan 0.000 0.274 603 P C -0.726 176.548 177.300 -0.044 0.000 1.231 603 P CA -0.539 62.534 63.100 -0.046 0.000 0.790 603 P CB 0.807 32.490 31.700 -0.028 0.000 0.951 604 V N 2.733 122.622 119.914 -0.041 0.000 2.673 604 V HA 0.028 4.127 4.120 -0.035 0.000 0.303 604 V C 0.485 176.545 176.094 -0.057 0.000 1.046 604 V CA 1.022 63.298 62.300 -0.038 0.000 1.126 604 V CB 0.260 32.073 31.823 -0.016 0.000 0.934 604 V HN 0.586 nan 8.190 nan 0.000 0.487 605 D N 2.346 122.698 120.400 -0.079 0.000 2.457 605 D HA 0.682 5.301 4.640 -0.035 0.000 0.240 605 D C -0.279 175.971 176.300 -0.084 0.000 1.041 605 D CA -0.191 53.758 54.000 -0.086 0.000 0.861 605 D CB 2.303 43.024 40.800 -0.132 0.000 1.394 605 D HN 0.715 nan 8.370 nan 0.000 0.473 606 T N -1.243 113.274 114.554 -0.062 0.000 2.916 606 T HA 0.790 5.119 4.350 -0.035 0.000 0.292 606 T C -0.878 173.830 174.700 0.014 0.000 1.064 606 T CA -0.829 61.230 62.100 -0.068 0.000 1.011 606 T CB 1.558 70.373 68.868 -0.089 0.000 1.152 606 T HN 0.266 nan 8.240 nan 0.000 0.510 607 V N -0.386 119.534 119.914 0.010 0.000 3.167 607 V HA 0.830 4.929 4.120 -0.035 0.000 0.293 607 V C -0.236 175.870 176.094 0.019 0.000 1.379 607 V CA 0.547 62.943 62.300 0.160 0.000 1.019 607 V CB 1.657 33.621 31.823 0.236 0.000 1.115 607 V HN 1.680 nan 8.190 nan 0.000 0.442 608 G N 3.035 111.694 108.800 -0.235 0.000 2.474 608 G HA2 0.735 4.674 3.960 -0.035 0.000 0.234 608 G HA3 0.735 4.674 3.960 -0.035 0.000 0.234 608 G C -1.402 172.954 174.900 -0.906 0.000 1.204 608 G CA 0.253 45.017 45.100 -0.561 0.000 0.939 608 G HN 1.957 nan 8.290 nan 0.000 0.491 609 F N -0.978 118.605 119.950 -0.611 0.000 2.842 609 F HA 0.835 5.340 4.527 -0.036 0.000 0.319 609 F C -1.120 174.647 175.800 -0.055 0.000 1.159 609 F CA -0.956 56.857 58.000 -0.311 0.000 0.902 609 F CB 1.387 40.228 39.000 -0.265 0.000 1.311 609 F HN 0.832 nan 8.300 nan 0.000 0.453 610 K N 0.919 121.476 120.400 0.260 0.000 2.555 610 K HA 0.843 5.142 4.320 -0.035 0.000 0.279 610 K C -2.474 174.356 176.600 0.384 0.000 0.986 610 K CA -1.054 55.367 56.287 0.224 0.000 0.880 610 K CB 2.651 35.227 32.500 0.127 0.000 1.474 610 K HN 0.733 nan 8.250 nan 0.000 0.433 611 L N 1.425 122.873 121.223 0.375 0.000 2.381 611 L HA 0.563 4.882 4.340 -0.035 0.000 0.274 611 L C -0.652 176.474 176.870 0.426 0.000 0.988 611 L CA -0.537 54.565 54.840 0.436 0.000 0.824 611 L CB 2.097 44.436 42.059 0.467 0.000 1.263 611 L HN 0.586 nan 8.230 nan 0.000 0.410 612 R N 3.198 123.867 120.500 0.282 0.000 2.711 612 R HA 0.570 4.889 4.340 -0.035 0.000 0.284 612 R C -2.550 173.487 176.300 -0.439 0.000 0.968 612 R CA -1.889 54.229 56.100 0.031 0.000 0.924 612 R CB 1.574 31.896 30.300 0.037 0.000 1.162 612 R HN 0.314 nan 8.270 nan 0.000 0.465 613 P HA -0.033 nan 4.420 nan 0.000 0.268 613 P C -0.807 176.283 177.300 -0.350 0.000 1.205 613 P CA 0.147 62.618 63.100 -1.048 0.000 0.771 613 P CB 0.856 32.302 31.700 -0.424 0.000 0.858 614 E N 2.035 122.098 120.200 -0.227 0.000 2.518 614 E HA 0.436 4.765 4.350 -0.035 0.000 0.240 614 E C 0.723 177.332 176.600 0.014 0.000 0.996 614 E CA -0.412 55.959 56.400 -0.048 0.000 0.768 614 E CB -0.523 29.168 29.700 -0.014 0.000 1.329 614 E HN 0.678 nan 8.360 nan 0.000 0.408 615 G N 3.554 112.374 108.800 0.033 0.000 2.179 615 G HA2 -0.370 3.569 3.960 -0.035 0.000 0.257 615 G HA3 -0.370 3.569 3.960 -0.035 0.000 0.257 615 G C 0.561 175.479 174.900 0.030 0.000 1.010 615 G CA 0.466 45.588 45.100 0.036 0.000 0.736 615 G HN 0.543 nan 8.290 nan 0.000 0.513 616 F N 0.105 119.955 119.950 -0.167 0.000 2.163 616 F HA 0.425 4.931 4.527 -0.035 0.000 0.297 616 F C 1.386 176.921 175.800 -0.441 0.000 1.094 616 F CA 0.742 58.543 58.000 -0.333 0.000 1.290 616 F CB -0.008 38.684 39.000 -0.513 0.000 1.017 616 F HN 0.133 nan 8.300 nan 0.000 0.483 617 F N 0.238 120.207 119.950 0.032 0.000 2.410 617 F HA 0.231 4.737 4.527 -0.035 0.000 0.324 617 F C 1.411 177.174 175.800 -0.063 0.000 1.093 617 F CA -0.763 57.201 58.000 -0.059 0.000 1.028 617 F CB 0.237 39.217 39.000 -0.034 0.000 1.309 617 F HN -0.285 nan 8.300 nan 0.000 0.499 618 D N -0.067 120.423 120.400 0.150 0.000 2.339 618 D HA 0.091 4.710 4.640 -0.035 0.000 0.217 618 D C 0.264 176.598 176.300 0.057 0.000 1.050 618 D CA 0.527 54.564 54.000 0.062 0.000 0.856 618 D CB 0.306 41.124 40.800 0.030 0.000 0.922 618 D HN 0.520 nan 8.370 nan 0.000 0.518 619 R N -2.100 118.448 120.500 0.080 0.000 2.832 619 R HA 0.206 4.525 4.340 -0.035 0.000 0.283 619 R C -0.748 175.554 176.300 0.003 0.000 0.998 619 R CA -0.754 55.364 56.100 0.030 0.000 0.843 619 R CB 0.327 30.632 30.300 0.008 0.000 1.332 619 R HN -0.175 nan 8.270 nan 0.000 0.490 620 S N 0.928 116.608 115.700 -0.035 0.000 2.558 620 S HA 0.104 4.553 4.470 -0.035 0.000 0.293 620 S C -1.336 173.167 174.600 -0.162 0.000 1.292 620 S CA -0.730 57.419 58.200 -0.086 0.000 1.063 620 S CB 0.455 63.623 63.200 -0.053 0.000 0.831 620 S HN 0.518 nan 8.310 nan 0.000 0.499 621 P HA 0.134 nan 4.420 nan 0.000 0.262 621 P C 0.421 177.611 177.300 -0.183 0.000 1.304 621 P CA 0.159 62.991 63.100 -0.448 0.000 0.859 621 P CB -0.132 30.800 31.700 -1.280 0.000 1.310 622 V N -3.881 115.975 119.914 -0.096 0.000 3.006 622 V HA 0.257 4.356 4.120 -0.035 0.000 0.357 622 V C 1.491 177.607 176.094 0.036 0.000 1.377 622 V CA -0.128 62.167 62.300 -0.008 0.000 1.198 622 V CB -0.734 31.108 31.823 0.033 0.000 1.216 622 V HN -0.136 nan 8.190 nan 0.000 0.520 623 L N 1.173 122.408 121.223 0.021 0.000 2.291 623 L HA 0.027 4.346 4.340 -0.035 0.000 0.214 623 L C 2.117 179.029 176.870 0.069 0.000 1.120 623 L CA 1.482 56.357 54.840 0.058 0.000 0.799 623 L CB -0.223 41.847 42.059 0.019 0.000 0.925 623 L HN 0.574 nan 8.230 nan 0.000 0.446 624 D N -0.626 119.795 120.400 0.035 0.000 2.328 624 D HA -0.007 4.612 4.640 -0.035 0.000 0.221 624 D C 0.582 176.891 176.300 0.015 0.000 1.072 624 D CA 0.028 54.042 54.000 0.023 0.000 0.850 624 D CB -0.178 40.624 40.800 0.003 0.000 0.922 624 D HN 0.000 nan 8.370 nan 0.000 0.516 625 V N 3.173 123.103 119.914 0.026 0.000 2.555 625 V HA 0.191 4.290 4.120 -0.035 0.000 0.286 625 V C -1.581 174.512 176.094 -0.002 0.000 1.044 625 V CA -1.153 61.151 62.300 0.005 0.000 1.026 625 V CB 1.067 32.899 31.823 0.016 0.000 0.981 625 V HN 0.164 nan 8.190 nan 0.000 0.480 626 P HA 0.166 nan 4.420 nan 0.000 0.274 626 P C 0.342 177.606 177.300 -0.061 0.000 1.246 626 P CA -0.339 62.744 63.100 -0.028 0.000 0.795 626 P CB 1.107 32.795 31.700 -0.021 0.000 1.006 627 A N 1.025 123.802 122.820 -0.072 0.000 2.216 627 A HA -0.081 4.218 4.320 -0.035 0.000 0.214 627 A C 0.705 178.245 177.584 -0.073 0.000 1.160 627 A CA 0.535 52.509 52.037 -0.105 0.000 0.725 627 A CB -1.042 17.905 19.000 -0.088 0.000 0.784 627 A HN 0.709 nan 8.150 nan 0.000 0.472 628 N N 0.000 118.674 118.700 -0.044 0.000 1.763 628 N HA 0.000 4.719 4.740 -0.035 0.000 0.220 628 N CA 0.000 53.035 53.050 -0.025 0.000 0.885 628 N CB 0.000 38.474 38.487 -0.021 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667