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 3eqo_1_B DATA FIRST_RESID 1 DATA SEQUENCE LGSTcSSPLT HGSAAPGDPF WLQNIQHQGI AAFNGNPGGY PVFRNVKNYG DATA SEQUENCE AKGDGNTDDT AAIQAAINAG GRcGQGcDST TTQPALVYFP PGTYKVSSPL DATA SEQUENCE VVLYQTQLIG DAKNLPTLLA APNFSGIALI DADPYLAGGA QYYVNQNNFF DATA SEQUENCE RSVRNFVIDL RQVSGSATGI HWQVSQATSL INIVFQMSTA AGNQHQGIFM DATA SEQUENCE ENGSGGFLGD LVFNGGNIGA TFGNQQFTVR NLTFNNANTA INAIWNWGWT DATA SEQUENCE FQRITINNCQ VGFDLTQGGT SNTGAQGVGA EAIIDAVVTN TQTFVRWSGA DATA SEQUENCE SSGHLQGSLV LNNIQLTNVP VAVGVKGGPT VLAGGTTTIN SWAQGNVYHG DATA SEQUENCE TNGNPTFTQG NIANINRPGV LLDSTGRIVS KSHPQYTGYA PSDFVSVRSQ DATA SEQUENCE GAKGDGHTDD TQAIKNVFAK YAGcKIIFFD AGTYIVTDTI QIPAGTQIVG DATA SEQUENCE EVWSVIMGTG SKFTDYNNPQ PVIQVGAPGS SGVVEITDMI FTTRGPAAGA DATA SEQUENCE IIVEWNVHDP SGQQAAAGAW DTHLIIGGTA QSGLQVGQcP TSGAGGNNcF DATA SEQUENCE ADFLGLHLTS GSSAYLEGMW VWLADHDLDS GGSQQISLWS NGGIMSESQG DATA SEQUENCE PVWLIGTASE HHINYQYFLK NAANHYIGLA QTETPYFQPN PNPPAPFITN DATA SEQUENCE SNFDPSQLGQ GDAWAMTVQN SHGILVFGAG FYSFFSAYNT GcQSPQNcQN DATA SEQUENCE QIVNVDSSSD IAFYSLTTVD TTWQFSVNAQ GVINRSNNPN GFADTITAWT DATA SEQUENCE RN 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 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.861 176.870 -0.015 0.000 1.165 1 L CA 0.000 54.838 54.840 -0.004 0.000 0.813 1 L CB 0.000 42.054 42.059 -0.008 0.000 0.961 2 G N 1.275 110.065 108.800 -0.016 0.000 2.491 2 G HA2 0.337 4.298 3.960 0.002 0.000 0.238 2 G HA3 0.337 4.298 3.960 0.002 0.000 0.238 2 G C 0.961 175.801 174.900 -0.100 0.000 1.277 2 G CA 0.244 45.309 45.100 -0.059 0.000 0.851 2 G HN 1.066 nan 8.290 nan 0.000 0.573 3 S N 0.274 115.893 115.700 -0.135 0.000 2.419 3 S HA -0.219 4.252 4.470 0.002 0.000 0.235 3 S C 2.212 176.727 174.600 -0.142 0.000 1.019 3 S CA 1.843 59.968 58.200 -0.125 0.000 0.982 3 S CB -0.705 62.423 63.200 -0.119 0.000 0.789 3 S HN 0.985 nan 8.310 nan 0.000 0.490 4 T N -0.668 113.752 114.554 -0.223 0.000 3.163 4 T HA 0.142 4.493 4.350 0.002 0.000 0.260 4 T C 0.898 175.551 174.700 -0.079 0.000 1.156 4 T CA 0.218 62.212 62.100 -0.176 0.000 1.072 4 T CB -1.490 67.218 68.868 -0.266 0.000 0.937 4 T HN 0.802 nan 8.240 nan 0.000 0.528 5 c N 0.122 118.683 118.600 -0.065 0.000 3.090 5 c HA 0.892 5.463 4.570 0.002 0.000 0.305 5 c C 1.664 175.737 174.090 -0.029 0.000 1.292 5 c CA -0.209 56.100 56.329 -0.032 0.000 1.482 5 c CB 1.471 43.972 42.510 -0.015 0.000 1.897 5 c HN 0.242 nan 8.230 nan 0.000 0.469 6 S N 0.865 116.553 115.700 -0.021 0.000 2.475 6 S HA 0.274 4.745 4.470 0.002 0.000 0.224 6 S C 0.523 175.117 174.600 -0.011 0.000 1.042 6 S CA 0.768 58.959 58.200 -0.016 0.000 0.935 6 S CB -0.439 62.753 63.200 -0.013 0.000 0.801 6 S HN 1.932 nan 8.310 nan 0.000 0.509 7 S N 1.392 117.086 115.700 -0.010 0.000 2.548 7 S HA 0.771 5.242 4.470 0.002 0.000 0.286 7 S C -3.446 171.150 174.600 -0.008 0.000 1.098 7 S CA -1.497 56.700 58.200 -0.005 0.000 0.930 7 S CB 1.296 64.497 63.200 0.000 0.000 1.070 7 S HN 0.103 nan 8.310 nan 0.000 0.480 8 P HA 0.286 nan 4.420 nan 0.000 0.275 8 P C -0.603 176.688 177.300 -0.015 0.000 1.227 8 P CA -0.670 62.429 63.100 -0.001 0.000 0.781 8 P CB 0.252 31.960 31.700 0.014 0.000 0.906 9 L N 2.772 123.976 121.223 -0.031 0.000 2.513 9 L HA 0.110 4.451 4.340 0.002 0.000 0.272 9 L C 1.044 177.899 176.870 -0.024 0.000 1.187 9 L CA 1.471 56.270 54.840 -0.069 0.000 0.895 9 L CB -0.173 41.842 42.059 -0.073 0.000 1.147 9 L HN 0.434 nan 8.230 nan 0.000 0.483 10 T N 3.278 117.795 114.554 -0.063 0.000 2.980 10 T HA 0.215 4.566 4.350 0.002 0.000 0.252 10 T C -0.114 174.653 174.700 0.113 0.000 0.962 10 T CA 0.408 62.543 62.100 0.057 0.000 0.932 10 T CB -0.142 68.785 68.868 0.098 0.000 1.188 10 T HN 0.850 nan 8.240 nan 0.000 0.500 11 H N -1.303 117.740 119.070 -0.045 0.000 2.941 11 H HA 0.716 5.273 4.556 0.002 0.000 0.344 11 H C -0.018 174.967 175.328 -0.573 0.000 1.235 11 H CA -0.768 55.186 56.048 -0.157 0.000 1.149 11 H CB 1.050 30.750 29.762 -0.102 0.000 1.885 11 H HN 0.135 nan 8.280 nan 0.000 0.558 12 G N -0.689 107.606 108.800 -0.841 0.000 2.476 12 G HA2 0.358 4.319 3.960 0.002 0.000 0.286 12 G HA3 0.358 4.319 3.960 0.002 0.000 0.286 12 G C 0.107 174.756 174.900 -0.418 0.000 1.177 12 G CA -0.208 44.150 45.100 -1.237 0.000 0.870 12 G HN 0.719 nan 8.290 nan 0.000 0.528 13 S N -0.752 114.762 115.700 -0.310 0.000 2.661 13 S HA 0.580 5.051 4.470 0.002 0.000 0.245 13 S C 0.367 174.948 174.600 -0.031 0.000 1.117 13 S CA 0.025 58.156 58.200 -0.116 0.000 1.091 13 S CB 0.308 63.429 63.200 -0.131 0.000 0.887 13 S HN 1.054 nan 8.310 nan 0.000 0.491 14 A N 1.559 124.385 122.820 0.009 0.000 2.290 14 A HA 0.851 5.172 4.320 0.002 0.000 0.310 14 A C 0.685 178.303 177.584 0.056 0.000 1.202 14 A CA -0.353 51.719 52.037 0.060 0.000 0.837 14 A CB 0.338 19.415 19.000 0.127 0.000 1.139 14 A HN 1.135 nan 8.150 nan 0.000 0.509 15 A N 4.041 126.890 122.820 0.048 0.000 2.531 15 A HA 0.425 4.746 4.320 0.002 0.000 0.236 15 A C -1.237 176.384 177.584 0.061 0.000 1.062 15 A CA -0.612 51.452 52.037 0.045 0.000 0.760 15 A CB -0.380 18.641 19.000 0.035 0.000 0.995 15 A HN 0.632 nan 8.150 nan 0.000 0.501 16 P HA -0.141 nan 4.420 nan 0.000 0.217 16 P C 1.433 178.772 177.300 0.064 0.000 1.148 16 P CA 1.910 65.047 63.100 0.061 0.000 0.828 16 P CB 0.124 31.850 31.700 0.043 0.000 0.783 17 G N -1.516 107.316 108.800 0.053 0.000 2.848 17 G HA2 -0.063 3.898 3.960 0.002 0.000 0.208 17 G HA3 -0.063 3.898 3.960 0.002 0.000 0.208 17 G C 0.051 174.989 174.900 0.064 0.000 1.152 17 G CA -0.043 45.087 45.100 0.051 0.000 0.789 17 G HN 0.204 nan 8.290 nan 0.000 0.531 18 D N 1.414 121.860 120.400 0.077 0.000 2.372 18 D HA 0.271 4.912 4.640 0.002 0.000 0.243 18 D C -1.749 174.620 176.300 0.116 0.000 1.121 18 D CA -1.267 52.785 54.000 0.087 0.000 0.898 18 D CB 1.201 42.054 40.800 0.089 0.000 1.202 18 D HN 0.092 nan 8.370 nan 0.000 0.428 19 P HA 0.003 nan 4.420 nan 0.000 0.270 19 P C 0.017 177.440 177.300 0.204 0.000 1.223 19 P CA -0.512 62.682 63.100 0.157 0.000 0.785 19 P CB 0.369 32.154 31.700 0.141 0.000 0.923 20 F N 3.536 123.533 119.950 0.078 0.000 2.623 20 F HA -0.114 4.414 4.527 0.002 0.000 0.386 20 F C 1.901 177.667 175.800 -0.058 0.000 1.068 20 F CA -0.421 57.596 58.000 0.027 0.000 1.265 20 F CB 0.044 39.032 39.000 -0.020 0.000 1.026 20 F HN 0.508 nan 8.300 nan 0.000 0.568 21 W N 5.450 126.467 121.300 -0.470 0.000 2.292 21 W HA -0.325 4.336 4.660 0.002 0.000 0.304 21 W C 1.485 177.614 176.519 -0.650 0.000 1.228 21 W CA 1.143 58.182 57.345 -0.509 0.000 1.241 21 W CB -1.411 27.755 29.460 -0.491 0.000 1.142 21 W HN 0.576 nan 8.180 nan 0.000 0.520 22 L N 1.972 122.249 121.223 -1.576 0.000 2.191 22 L HA -0.204 4.137 4.340 0.002 0.000 0.212 22 L C 2.961 179.350 176.870 -0.801 0.000 1.103 22 L CA 2.388 56.428 54.840 -1.334 0.000 0.769 22 L CB -1.095 40.118 42.059 -1.409 0.000 0.908 22 L HN 0.201 nan 8.230 nan 0.000 0.438 23 Q N -0.737 118.691 119.800 -0.621 0.000 2.046 23 Q HA -0.178 4.163 4.340 0.002 0.000 0.200 23 Q C 0.947 176.823 176.000 -0.207 0.000 0.975 23 Q CA 1.756 57.334 55.803 -0.374 0.000 0.836 23 Q CB 0.100 28.844 28.738 0.010 0.000 0.896 23 Q HN 0.567 nan 8.270 nan 0.000 0.428 24 N N -0.031 118.519 118.700 -0.251 0.000 2.205 24 N HA 0.141 4.882 4.740 0.002 0.000 0.201 24 N C 0.057 175.309 175.510 -0.430 0.000 1.128 24 N CA -0.056 52.839 53.050 -0.258 0.000 0.867 24 N CB 0.508 38.912 38.487 -0.138 0.000 0.996 24 N HN 0.246 nan 8.380 nan 0.000 0.503 25 I N 1.424 121.665 120.570 -0.548 0.000 2.872 25 I HA -0.124 4.047 4.170 0.002 0.000 0.291 25 I C 0.803 176.389 176.117 -0.884 0.000 1.216 25 I CA 0.041 60.958 61.300 -0.638 0.000 1.424 25 I CB 0.740 38.318 38.000 -0.703 0.000 1.351 25 I HN 0.030 nan 8.210 nan 0.000 0.592 26 Q N 5.833 125.277 119.800 -0.594 0.000 2.300 26 Q HA 0.008 4.349 4.340 0.002 0.000 0.280 26 Q C -1.014 174.697 176.000 -0.482 0.000 1.033 26 Q CA 0.021 55.526 55.803 -0.495 0.000 0.903 26 Q CB 0.391 28.977 28.738 -0.253 0.000 1.195 26 Q HN 0.503 nan 8.270 nan 0.000 0.386 27 H N 4.235 123.198 119.070 -0.178 0.000 2.746 27 H HA 0.147 4.704 4.556 0.002 0.000 0.269 27 H C -0.275 175.057 175.328 0.008 0.000 1.248 27 H CA -0.029 55.934 56.048 -0.142 0.000 1.258 27 H CB 0.579 30.202 29.762 -0.232 0.000 1.441 27 H HN 0.613 nan 8.280 nan 0.000 0.508 28 Q N 1.506 121.414 119.800 0.180 0.000 2.135 28 Q HA 0.214 4.555 4.340 0.002 0.000 0.222 28 Q C 1.087 177.187 176.000 0.167 0.000 0.808 28 Q CA -0.491 55.401 55.803 0.147 0.000 1.049 28 Q CB 1.473 30.278 28.738 0.111 0.000 1.168 28 Q HN 0.557 nan 8.270 nan 0.000 0.483 29 G N 1.921 110.849 108.800 0.214 0.000 2.544 29 G HA2 0.381 4.342 3.960 0.002 0.000 0.242 29 G HA3 0.381 4.342 3.960 0.002 0.000 0.242 29 G C 0.062 175.060 174.900 0.162 0.000 1.247 29 G CA -0.247 44.974 45.100 0.202 0.000 0.840 29 G HN 0.312 nan 8.290 nan 0.000 0.578 30 I N -1.374 119.265 120.570 0.114 0.000 2.892 30 I HA 0.785 4.956 4.170 0.002 0.000 0.306 30 I C -0.179 175.979 176.117 0.067 0.000 1.078 30 I CA -1.583 59.771 61.300 0.089 0.000 1.032 30 I CB 2.538 40.551 38.000 0.022 0.000 1.229 30 I HN 0.532 nan 8.210 nan 0.000 0.435 31 A N 3.371 126.228 122.820 0.061 0.000 2.444 31 A HA 0.696 5.017 4.320 0.002 0.000 0.332 31 A C 1.056 178.542 177.584 -0.164 0.000 1.430 31 A CA 0.007 52.012 52.037 -0.053 0.000 0.975 31 A CB 0.508 19.406 19.000 -0.171 0.000 1.147 31 A HN 1.113 nan 8.150 nan 0.000 0.524 32 A N 2.005 124.626 122.820 -0.332 0.000 1.903 32 A HA -0.081 4.240 4.320 0.002 0.000 0.219 32 A C 0.924 178.232 177.584 -0.459 0.000 1.191 32 A CA 1.824 53.502 52.037 -0.598 0.000 0.638 32 A CB -0.505 17.776 19.000 -1.199 0.000 0.823 32 A HN 0.809 nan 8.150 nan 0.000 0.451 33 F N -0.260 119.676 119.950 -0.023 0.000 2.668 33 F HA 0.280 4.808 4.527 0.002 0.000 0.301 33 F C 0.664 176.431 175.800 -0.054 0.000 1.106 33 F CA -1.456 56.535 58.000 -0.015 0.000 1.289 33 F CB -0.745 38.251 39.000 -0.007 0.000 1.006 33 F HN 0.175 nan 8.300 nan 0.000 0.535 34 N N 1.061 119.749 118.700 -0.019 0.000 2.415 34 N HA -0.009 4.732 4.740 0.002 0.000 0.248 34 N C 1.592 177.095 175.510 -0.013 0.000 1.271 34 N CA 0.779 53.763 53.050 -0.110 0.000 0.913 34 N CB 1.407 39.717 38.487 -0.296 0.000 1.129 34 N HN 0.357 nan 8.380 nan 0.000 0.444 35 G N 1.418 110.208 108.800 -0.017 0.000 2.462 35 G HA2 -0.252 3.709 3.960 0.002 0.000 0.220 35 G HA3 -0.252 3.709 3.960 0.002 0.000 0.220 35 G C 0.744 175.670 174.900 0.044 0.000 1.121 35 G CA 0.742 45.856 45.100 0.024 0.000 0.758 35 G HN 0.680 nan 8.290 nan 0.000 0.559 36 N N -0.453 118.277 118.700 0.049 0.000 2.733 36 N HA 0.321 5.062 4.740 0.002 0.000 0.271 36 N C -2.025 173.546 175.510 0.102 0.000 1.720 36 N CA -1.833 51.266 53.050 0.082 0.000 0.803 36 N CB 1.401 39.951 38.487 0.106 0.000 1.208 36 N HN -0.141 nan 8.380 nan 0.000 0.498 37 P HA -0.035 nan 4.420 nan 0.000 0.218 37 P C 1.187 178.549 177.300 0.103 0.000 1.146 37 P CA 1.018 64.161 63.100 0.072 0.000 0.813 37 P CB 0.252 31.975 31.700 0.039 0.000 0.778 38 G N -1.163 107.693 108.800 0.094 0.000 2.551 38 G HA2 -0.009 3.952 3.960 0.002 0.000 0.216 38 G HA3 -0.009 3.952 3.960 0.002 0.000 0.216 38 G C 1.451 176.410 174.900 0.097 0.000 1.137 38 G CA 0.672 45.824 45.100 0.086 0.000 0.798 38 G HN 0.398 nan 8.290 nan 0.000 0.536 39 G N -1.236 107.635 108.800 0.119 0.000 2.944 39 G HA2 0.193 4.154 3.960 0.002 0.000 0.220 39 G HA3 0.193 4.154 3.960 0.002 0.000 0.220 39 G C -0.077 174.909 174.900 0.145 0.000 1.100 39 G CA -0.442 44.726 45.100 0.113 0.000 0.780 39 G HN 0.290 nan 8.290 nan 0.000 0.539 40 Y N 3.565 123.900 120.300 0.059 0.000 2.486 40 Y HA 0.436 4.987 4.550 0.002 0.000 0.348 40 Y C -1.997 173.951 175.900 0.079 0.000 1.000 40 Y CA -2.557 55.581 58.100 0.064 0.000 1.253 40 Y CB 1.203 39.694 38.460 0.052 0.000 1.140 40 Y HN -0.032 nan 8.280 nan 0.000 0.526 41 P HA 0.097 nan 4.420 nan 0.000 0.287 41 P C 0.112 177.279 177.300 -0.221 0.000 1.281 41 P CA -0.141 62.865 63.100 -0.156 0.000 0.781 41 P CB 2.202 33.855 31.700 -0.078 0.000 0.903 42 V N 3.377 123.336 119.914 0.076 0.000 2.379 42 V HA -0.048 4.073 4.120 0.002 0.000 0.243 42 V C 1.039 177.221 176.094 0.146 0.000 1.035 42 V CA 1.076 63.483 62.300 0.179 0.000 1.035 42 V CB -0.716 31.274 31.823 0.278 0.000 0.673 42 V HN 0.461 nan 8.190 nan 0.000 0.457 43 F N 1.828 121.780 119.950 0.003 0.000 2.411 43 F HA 0.614 5.142 4.527 0.002 0.000 0.350 43 F C 0.238 175.985 175.800 -0.088 0.000 1.114 43 F CA -0.760 57.197 58.000 -0.071 0.000 1.135 43 F CB 0.565 39.435 39.000 -0.216 0.000 1.120 43 F HN -0.042 nan 8.300 nan 0.000 0.495 44 R N 3.981 124.113 120.500 -0.613 0.000 2.483 44 R HA 0.236 4.577 4.340 0.002 0.000 0.303 44 R C -1.030 174.968 176.300 -0.503 0.000 0.987 44 R CA -0.870 55.034 56.100 -0.326 0.000 0.881 44 R CB 0.865 30.952 30.300 -0.355 0.000 1.177 44 R HN 0.495 nan 8.270 nan 0.000 0.451 45 N N 2.691 121.289 118.700 -0.170 0.000 2.422 45 N HA 0.001 4.742 4.740 0.002 0.000 0.264 45 N C 1.136 176.650 175.510 0.006 0.000 1.063 45 N CA -0.246 52.779 53.050 -0.041 0.000 0.959 45 N CB 1.550 40.166 38.487 0.215 0.000 1.087 45 N HN 0.474 nan 8.380 nan 0.000 0.483 46 V N 2.764 122.541 119.914 -0.227 0.000 2.568 46 V HA -0.173 3.948 4.120 0.002 0.000 0.253 46 V C 1.725 177.828 176.094 0.015 0.000 1.072 46 V CA 1.423 63.584 62.300 -0.231 0.000 1.084 46 V CB -0.544 30.868 31.823 -0.685 0.000 0.676 46 V HN 0.568 nan 8.190 nan 0.000 0.469 47 K N 0.769 121.204 120.400 0.058 0.000 2.217 47 K HA -0.020 4.301 4.320 0.002 0.000 0.202 47 K C 1.780 178.416 176.600 0.060 0.000 1.051 47 K CA 1.258 57.607 56.287 0.103 0.000 0.952 47 K CB -0.345 32.232 32.500 0.130 0.000 0.736 47 K HN 0.481 nan 8.250 nan 0.000 0.453 48 N N 0.263 118.985 118.700 0.037 0.000 2.512 48 N HA -0.096 4.645 4.740 0.002 0.000 0.183 48 N C 0.540 175.858 175.510 -0.320 0.000 1.073 48 N CA 0.998 53.974 53.050 -0.123 0.000 0.911 48 N CB 0.058 38.447 38.487 -0.164 0.000 0.964 48 N HN 0.308 nan 8.380 nan 0.000 0.447 49 Y N -0.888 119.392 120.300 -0.033 0.000 2.555 49 Y HA 0.371 4.922 4.550 0.002 0.000 0.259 49 Y C 1.487 177.380 175.900 -0.011 0.000 1.179 49 Y CA -0.116 57.964 58.100 -0.033 0.000 1.230 49 Y CB 0.515 38.937 38.460 -0.063 0.000 1.146 49 Y HN 0.060 nan 8.280 nan 0.000 0.526 50 G N -0.126 108.725 108.800 0.084 0.000 2.168 50 G HA2 -0.134 3.827 3.960 0.002 0.000 0.197 50 G HA3 -0.134 3.827 3.960 0.002 0.000 0.197 50 G C 0.151 175.106 174.900 0.091 0.000 0.997 50 G CA -0.311 44.830 45.100 0.069 0.000 0.658 50 G HN 0.522 nan 8.290 nan 0.000 0.513 51 A N 0.297 123.191 122.820 0.123 0.000 2.409 51 A HA 0.687 5.008 4.320 0.002 0.000 0.267 51 A C 1.382 179.072 177.584 0.176 0.000 1.127 51 A CA 0.491 52.641 52.037 0.187 0.000 0.795 51 A CB 0.547 19.700 19.000 0.255 0.000 1.061 51 A HN 0.118 nan 8.150 nan 0.000 0.502 52 K N 2.068 122.538 120.400 0.118 0.000 2.128 52 K HA 0.100 4.421 4.320 0.002 0.000 0.202 52 K C 1.343 177.897 176.600 -0.077 0.000 1.050 52 K CA 1.068 57.373 56.287 0.030 0.000 0.966 52 K CB -0.312 32.193 32.500 0.008 0.000 0.759 52 K HN 1.666 nan 8.250 nan 0.000 0.454 53 G N 3.450 112.095 108.800 -0.259 0.000 2.176 53 G HA2 -0.241 3.720 3.960 0.002 0.000 0.252 53 G HA3 -0.241 3.720 3.960 0.002 0.000 0.252 53 G C 0.068 174.740 174.900 -0.381 0.000 1.024 53 G CA 0.804 45.453 45.100 -0.751 0.000 0.755 53 G HN 0.470 nan 8.290 nan 0.000 0.507 54 D N -1.452 118.826 120.400 -0.205 0.000 2.369 54 D HA 0.389 5.030 4.640 0.002 0.000 0.211 54 D C 1.855 178.099 176.300 -0.093 0.000 1.077 54 D CA 0.592 54.519 54.000 -0.121 0.000 0.842 54 D CB -0.366 40.395 40.800 -0.066 0.000 0.947 54 D HN 1.425 nan 8.370 nan 0.000 0.509 55 G N 0.737 109.475 108.800 -0.102 0.000 2.189 55 G HA2 -0.426 3.535 3.960 0.002 0.000 0.267 55 G HA3 -0.426 3.535 3.960 0.002 0.000 0.267 55 G C 0.906 175.793 174.900 -0.021 0.000 0.975 55 G CA 0.620 45.687 45.100 -0.054 0.000 0.644 55 G HN 0.540 nan 8.290 nan 0.000 0.537 56 N N -0.944 117.745 118.700 -0.018 0.000 2.474 56 N HA 0.020 4.761 4.740 0.002 0.000 0.224 56 N C 0.331 175.847 175.510 0.010 0.000 1.092 56 N CA 0.797 53.846 53.050 -0.001 0.000 0.844 56 N CB 0.629 39.113 38.487 -0.005 0.000 1.381 56 N HN 0.279 nan 8.380 nan 0.000 0.458 57 T N 1.496 116.055 114.554 0.009 0.000 2.901 57 T HA -0.016 4.335 4.350 0.002 0.000 0.301 57 T C -0.391 174.335 174.700 0.042 0.000 1.012 57 T CA 0.051 62.165 62.100 0.024 0.000 1.135 57 T CB 1.134 70.016 68.868 0.024 0.000 0.936 57 T HN 0.060 nan 8.240 nan 0.000 0.539 58 D N 2.078 122.507 120.400 0.047 0.000 2.346 58 D HA 0.022 4.663 4.640 0.002 0.000 0.260 58 D C 0.146 176.495 176.300 0.082 0.000 1.252 58 D CA -0.218 53.820 54.000 0.064 0.000 0.895 58 D CB 0.642 41.472 40.800 0.050 0.000 1.097 58 D HN 0.364 nan 8.370 nan 0.000 0.489 59 D N 2.433 122.905 120.400 0.120 0.000 2.349 59 D HA -0.018 4.623 4.640 0.002 0.000 0.214 59 D C 1.537 177.921 176.300 0.140 0.000 1.063 59 D CA 0.224 54.319 54.000 0.158 0.000 0.847 59 D CB 0.528 41.493 40.800 0.276 0.000 0.933 59 D HN 0.423 nan 8.370 nan 0.000 0.513 60 T N 0.693 115.315 114.554 0.113 0.000 2.597 60 T HA -0.244 4.107 4.350 0.002 0.000 0.267 60 T C 2.086 176.827 174.700 0.068 0.000 1.053 60 T CA 1.891 64.047 62.100 0.093 0.000 1.165 60 T CB -0.286 68.624 68.868 0.069 0.000 0.863 60 T HN 0.222 nan 8.240 nan 0.000 0.427 61 A N 1.513 124.366 122.820 0.056 0.000 1.902 61 A HA 0.142 4.463 4.320 0.002 0.000 0.217 61 A C 2.686 180.298 177.584 0.047 0.000 1.181 61 A CA 2.024 54.088 52.037 0.045 0.000 0.623 61 A CB -1.216 17.809 19.000 0.042 0.000 0.818 61 A HN 0.559 nan 8.150 nan 0.000 0.443 62 A N 0.055 122.913 122.820 0.063 0.000 1.858 62 A HA -0.096 4.225 4.320 0.002 0.000 0.216 62 A C 2.115 179.713 177.584 0.023 0.000 1.190 62 A CA 1.547 53.628 52.037 0.074 0.000 0.617 62 A CB -0.687 18.371 19.000 0.096 0.000 0.827 62 A HN 0.489 nan 8.150 nan 0.000 0.443 63 I N -0.778 119.794 120.570 0.005 0.000 2.151 63 I HA -0.334 3.837 4.170 0.002 0.000 0.243 63 I C 2.777 178.838 176.117 -0.093 0.000 1.080 63 I CA 1.986 63.238 61.300 -0.080 0.000 1.339 63 I CB -0.324 37.696 38.000 0.033 0.000 1.039 63 I HN 0.387 nan 8.210 nan 0.000 0.409 64 Q N 0.924 120.709 119.800 -0.026 0.000 2.170 64 Q HA -0.154 4.187 4.340 0.002 0.000 0.203 64 Q C 2.126 178.086 176.000 -0.067 0.000 0.976 64 Q CA 1.966 57.755 55.803 -0.023 0.000 0.858 64 Q CB -0.272 28.475 28.738 0.016 0.000 0.907 64 Q HN 0.530 nan 8.270 nan 0.000 0.433 65 A N -0.043 122.733 122.820 -0.074 0.000 1.930 65 A HA -0.027 4.294 4.320 0.002 0.000 0.217 65 A C 2.237 179.557 177.584 -0.439 0.000 1.175 65 A CA 1.620 53.588 52.037 -0.115 0.000 0.627 65 A CB -0.989 18.034 19.000 0.037 0.000 0.815 65 A HN 0.483 nan 8.150 nan 0.000 0.443 66 A N -0.130 122.343 122.820 -0.578 0.000 1.969 66 A HA -0.021 4.300 4.320 0.002 0.000 0.218 66 A C 2.072 179.328 177.584 -0.547 0.000 1.169 66 A CA 1.398 52.862 52.037 -0.954 0.000 0.635 66 A CB -0.524 18.073 19.000 -0.671 0.000 0.810 66 A HN 0.515 nan 8.150 nan 0.000 0.445 67 I N -0.302 120.093 120.570 -0.291 0.000 2.233 67 I HA -0.192 3.979 4.170 0.002 0.000 0.243 67 I C 1.875 177.937 176.117 -0.093 0.000 1.093 67 I CA 1.203 62.426 61.300 -0.128 0.000 1.380 67 I CB -0.398 37.586 38.000 -0.026 0.000 1.067 67 I HN 0.238 nan 8.210 nan 0.000 0.413 68 N N 1.245 119.888 118.700 -0.095 0.000 2.354 68 N HA 0.072 4.813 4.740 0.002 0.000 0.179 68 N C 0.720 176.208 175.510 -0.036 0.000 1.021 68 N CA 0.458 53.494 53.050 -0.025 0.000 0.887 68 N CB -0.309 38.181 38.487 0.004 0.000 0.974 68 N HN 0.206 nan 8.380 nan 0.000 0.437 69 A N 0.084 122.825 122.820 -0.131 0.000 2.598 69 A HA 0.361 4.682 4.320 0.002 0.000 0.239 69 A C 1.472 179.008 177.584 -0.079 0.000 1.032 69 A CA 1.018 52.995 52.037 -0.101 0.000 0.760 69 A CB -0.552 18.334 19.000 -0.190 0.000 0.946 69 A HN 0.549 nan 8.150 nan 0.000 0.512 70 G N 0.971 109.774 108.800 0.005 0.000 2.201 70 G HA2 0.312 4.273 3.960 0.002 0.000 0.212 70 G HA3 0.312 4.273 3.960 0.002 0.000 0.212 70 G C 1.448 176.492 174.900 0.240 0.000 0.994 70 G CA 0.605 45.749 45.100 0.074 0.000 0.644 70 G HN 3.047 nan 8.290 nan 0.000 0.508 71 G N -0.059 108.839 108.800 0.164 0.000 2.788 71 G HA2 0.034 3.995 3.960 0.002 0.000 0.249 71 G HA3 0.034 3.995 3.960 0.002 0.000 0.249 71 G C 0.018 175.021 174.900 0.171 0.000 1.008 71 G CA 0.816 46.001 45.100 0.140 0.000 1.220 71 G HN 0.870 nan 8.290 nan 0.000 0.506 72 R N 0.199 120.790 120.500 0.152 0.000 2.867 72 R HA 0.707 5.048 4.340 0.002 0.000 0.227 72 R C 0.390 176.760 176.300 0.117 0.000 1.372 72 R CA -0.369 55.827 56.100 0.159 0.000 1.083 72 R CB 0.814 31.228 30.300 0.190 0.000 1.596 72 R HN 0.644 nan 8.270 nan 0.000 0.522 73 c N 1.764 120.446 118.600 0.137 0.000 2.158 73 c HA 0.546 5.118 4.570 0.002 0.000 0.350 73 c C 0.742 174.989 174.090 0.261 0.000 1.064 73 c CA -0.154 56.255 56.329 0.132 0.000 1.507 73 c CB -1.473 41.083 42.510 0.076 0.000 1.934 73 c HN 0.811 nan 8.230 nan 0.000 0.479 74 G N 3.161 112.043 108.800 0.137 0.000 3.247 74 G HA2 0.314 4.275 3.960 0.002 0.000 0.163 74 G HA3 0.314 4.275 3.960 0.002 0.000 0.163 74 G C -0.710 173.966 174.900 -0.372 0.000 1.206 74 G CA -0.285 44.830 45.100 0.026 0.000 0.918 74 G HN 0.694 nan 8.290 nan 0.000 0.625 75 Q N -0.003 119.340 119.800 -0.762 0.000 2.286 75 Q HA 0.363 4.704 4.340 0.002 0.000 0.290 75 Q C 1.145 176.956 176.000 -0.315 0.000 1.049 75 Q CA 1.272 56.643 55.803 -0.721 0.000 0.923 75 Q CB 0.605 28.998 28.738 -0.575 0.000 1.183 75 Q HN 1.149 nan 8.270 nan 0.000 0.383 76 G N 1.746 110.406 108.800 -0.234 0.000 2.176 76 G HA2 -0.287 3.674 3.960 0.002 0.000 0.253 76 G HA3 -0.287 3.674 3.960 0.002 0.000 0.253 76 G C -0.129 174.726 174.900 -0.076 0.000 0.979 76 G CA -0.073 44.954 45.100 -0.121 0.000 0.641 76 G HN 0.730 nan 8.290 nan 0.000 0.530 77 c N 0.696 119.261 118.600 -0.058 0.000 2.379 77 c HA 0.753 5.324 4.570 0.002 0.000 0.323 77 c C 1.315 175.420 174.090 0.024 0.000 1.262 77 c CA -0.058 56.259 56.329 -0.020 0.000 1.581 77 c CB 1.094 43.602 42.510 -0.004 0.000 2.221 77 c HN 0.317 nan 8.230 nan 0.000 0.497 78 D N 1.829 122.205 120.400 -0.040 0.000 2.213 78 D HA 0.107 4.748 4.640 0.002 0.000 0.205 78 D C 0.701 176.832 176.300 -0.282 0.000 0.961 78 D CA 1.524 55.497 54.000 -0.045 0.000 0.853 78 D CB 0.290 41.059 40.800 -0.052 0.000 0.967 78 D HN 0.865 nan 8.370 nan 0.000 0.496 79 S N -2.465 112.912 115.700 -0.538 0.000 2.622 79 S HA 0.469 4.940 4.470 0.002 0.000 0.275 79 S C -0.860 173.337 174.600 -0.672 0.000 1.112 79 S CA -0.946 56.520 58.200 -1.224 0.000 0.837 79 S CB 2.279 65.104 63.200 -0.625 0.000 1.082 79 S HN -0.058 nan 8.310 nan 0.000 0.456 80 T N 0.066 114.267 114.554 -0.589 0.000 2.889 80 T HA 0.703 5.054 4.350 0.002 0.000 0.315 80 T C 0.211 174.858 174.700 -0.089 0.000 1.291 80 T CA 0.222 62.213 62.100 -0.181 0.000 1.028 80 T CB 1.674 70.465 68.868 -0.129 0.000 1.235 80 T HN 1.600 nan 8.240 nan 0.000 0.491 81 T N -1.443 112.962 114.554 -0.249 0.000 3.043 81 T HA 0.168 4.519 4.350 0.002 0.000 0.272 81 T C 1.256 175.576 174.700 -0.634 0.000 0.990 81 T CA 0.664 62.337 62.100 -0.712 0.000 0.897 81 T CB -0.181 68.227 68.868 -0.767 0.000 1.111 81 T HN 0.672 nan 8.240 nan 0.000 0.529 82 T N -0.549 113.816 114.554 -0.314 0.000 3.145 82 T HA 0.353 4.705 4.350 0.002 0.000 0.255 82 T C 0.451 174.945 174.700 -0.343 0.000 1.039 82 T CA -0.393 61.557 62.100 -0.250 0.000 0.928 82 T CB -0.172 68.623 68.868 -0.122 0.000 1.029 82 T HN 0.391 nan 8.240 nan 0.000 0.554 83 Q N 1.927 121.562 119.800 -0.275 0.000 2.903 83 Q HA 0.309 4.650 4.340 0.002 0.000 0.342 83 Q C -2.912 173.135 176.000 0.079 0.000 0.808 83 Q CA -1.567 54.114 55.803 -0.204 0.000 1.004 83 Q CB 2.036 30.730 28.738 -0.073 0.000 1.470 83 Q HN 0.363 nan 8.270 nan 0.000 0.387 84 P HA 0.452 nan 4.420 nan 0.000 0.279 84 P C -0.985 176.480 177.300 0.276 0.000 1.252 84 P CA -0.356 62.844 63.100 0.168 0.000 0.811 84 P CB 1.548 33.344 31.700 0.160 0.000 1.035 85 A N 2.471 125.408 122.820 0.195 0.000 2.437 85 A HA 0.489 4.810 4.320 0.002 0.000 0.293 85 A C -1.279 176.376 177.584 0.118 0.000 1.038 85 A CA -0.697 51.413 52.037 0.122 0.000 0.708 85 A CB 0.863 19.892 19.000 0.049 0.000 1.251 85 A HN 0.559 nan 8.150 nan 0.000 0.409 86 L N 3.873 125.152 121.223 0.093 0.000 2.270 86 L HA 0.493 4.834 4.340 0.002 0.000 0.286 86 L C -0.909 175.869 176.870 -0.154 0.000 1.059 86 L CA -0.575 54.310 54.840 0.075 0.000 0.839 86 L CB 0.851 43.032 42.059 0.204 0.000 1.221 86 L HN 0.482 nan 8.230 nan 0.000 0.431 87 V N 5.497 125.366 119.914 -0.074 0.000 2.389 87 V HA 0.090 4.211 4.120 0.002 0.000 0.264 87 V C -0.447 175.585 176.094 -0.105 0.000 1.049 87 V CA -0.313 61.875 62.300 -0.186 0.000 0.932 87 V CB 0.411 32.167 31.823 -0.112 0.000 1.011 87 V HN 0.504 nan 8.190 nan 0.000 0.475 88 Y N 5.968 125.979 120.300 -0.483 0.000 2.331 88 Y HA 0.615 5.166 4.550 0.002 0.000 0.338 88 Y C -0.672 175.061 175.900 -0.279 0.000 0.992 88 Y CA -1.368 56.571 58.100 -0.267 0.000 1.121 88 Y CB 1.264 39.498 38.460 -0.376 0.000 1.184 88 Y HN 0.542 nan 8.280 nan 0.000 0.469 89 F N 8.432 127.868 119.950 -0.855 0.000 2.361 89 F HA 0.454 4.982 4.527 0.002 0.000 0.364 89 F C -2.123 173.264 175.800 -0.687 0.000 1.117 89 F CA -2.359 55.260 58.000 -0.635 0.000 1.071 89 F CB 0.899 39.628 39.000 -0.451 0.000 1.188 89 F HN 0.460 nan 8.300 nan 0.000 0.464 90 P HA 0.156 nan 4.420 nan 0.000 0.273 90 P C -2.586 174.810 177.300 0.159 0.000 1.250 90 P CA -1.442 61.712 63.100 0.089 0.000 0.793 90 P CB -0.009 31.825 31.700 0.224 0.000 1.011 91 P HA 0.258 nan 4.420 nan 0.000 0.264 91 P C 0.161 177.498 177.300 0.063 0.000 1.183 91 P CA 1.168 64.310 63.100 0.070 0.000 0.763 91 P CB -0.038 31.685 31.700 0.038 0.000 0.807 92 G N 0.967 109.772 108.800 0.008 0.000 2.337 92 G HA2 0.338 4.299 3.960 0.002 0.000 0.298 92 G HA3 0.338 4.299 3.960 0.002 0.000 0.298 92 G C -1.657 173.104 174.900 -0.230 0.000 1.335 92 G CA -0.594 44.383 45.100 -0.205 0.000 0.875 92 G HN 0.349 nan 8.290 nan 0.000 0.579 93 T N 0.886 115.225 114.554 -0.359 0.000 2.815 93 T HA 0.565 4.916 4.350 0.002 0.000 0.289 93 T C -1.372 173.132 174.700 -0.326 0.000 1.000 93 T CA -0.081 61.901 62.100 -0.198 0.000 0.958 93 T CB 0.827 69.632 68.868 -0.106 0.000 0.944 93 T HN 0.387 nan 8.240 nan 0.000 0.442 94 Y N 2.416 122.747 120.300 0.052 0.000 2.417 94 Y HA 0.389 4.940 4.550 0.002 0.000 0.336 94 Y C 0.631 176.561 175.900 0.051 0.000 0.961 94 Y CA -1.097 57.049 58.100 0.078 0.000 1.215 94 Y CB 0.954 39.505 38.460 0.151 0.000 1.120 94 Y HN 0.467 nan 8.280 nan 0.000 0.499 95 K N 3.789 124.264 120.400 0.124 0.000 2.379 95 K HA 0.433 4.754 4.320 0.002 0.000 0.284 95 K C -0.723 175.961 176.600 0.140 0.000 1.044 95 K CA -0.384 55.965 56.287 0.103 0.000 0.974 95 K CB 0.391 32.929 32.500 0.064 0.000 0.962 95 K HN 0.526 nan 8.250 nan 0.000 0.474 96 V N 1.479 121.485 119.914 0.153 0.000 2.735 96 V HA 0.509 4.630 4.120 0.002 0.000 0.310 96 V C 0.094 176.350 176.094 0.269 0.000 1.061 96 V CA -0.018 62.396 62.300 0.191 0.000 0.913 96 V CB 1.816 33.758 31.823 0.198 0.000 1.005 96 V HN 0.870 nan 8.190 nan 0.000 0.428 97 S N 1.319 117.120 115.700 0.169 0.000 2.632 97 S HA 0.415 4.886 4.470 0.002 0.000 0.237 97 S C 0.586 174.954 174.600 -0.387 0.000 1.037 97 S CA 0.335 58.563 58.200 0.047 0.000 1.009 97 S CB -0.194 63.007 63.200 0.002 0.000 0.974 97 S HN 1.784 nan 8.310 nan 0.000 0.544 98 S N 0.352 115.845 115.700 -0.346 0.000 2.638 98 S HA 0.738 5.209 4.470 0.002 0.000 0.274 98 S C -3.538 170.978 174.600 -0.141 0.000 1.157 98 S CA -1.575 56.279 58.200 -0.576 0.000 0.826 98 S CB 0.653 63.666 63.200 -0.313 0.000 1.139 98 S HN -0.029 nan 8.310 nan 0.000 0.474 99 P HA 0.228 nan 4.420 nan 0.000 0.264 99 P C -0.904 176.461 177.300 0.108 0.000 1.193 99 P CA -0.071 63.132 63.100 0.171 0.000 0.763 99 P CB 0.080 31.858 31.700 0.131 0.000 0.810 100 L N 3.590 124.886 121.223 0.122 0.000 2.407 100 L HA 0.121 4.462 4.340 0.002 0.000 0.282 100 L C 0.178 177.092 176.870 0.073 0.000 1.110 100 L CA -0.589 54.298 54.840 0.078 0.000 0.863 100 L CB 0.120 42.211 42.059 0.053 0.000 1.207 100 L HN 0.127 nan 8.230 nan 0.000 0.454 101 V N 5.003 124.950 119.914 0.056 0.000 2.421 101 V HA -0.012 4.109 4.120 0.002 0.000 0.271 101 V C 0.464 176.607 176.094 0.082 0.000 1.031 101 V CA -0.091 62.232 62.300 0.038 0.000 1.032 101 V CB 1.500 33.318 31.823 -0.009 0.000 1.009 101 V HN 0.483 nan 8.190 nan 0.000 0.477 102 V N 8.481 128.459 119.914 0.107 0.000 2.299 102 V HA 0.328 4.449 4.120 0.002 0.000 0.255 102 V C 0.329 176.528 176.094 0.175 0.000 1.100 102 V CA -0.189 62.196 62.300 0.141 0.000 0.938 102 V CB 0.305 32.233 31.823 0.174 0.000 1.139 102 V HN 0.708 nan 8.190 nan 0.000 0.490 103 L N 5.439 126.786 121.223 0.207 0.000 2.482 103 L HA 0.187 4.528 4.340 0.002 0.000 0.273 103 L C 0.284 177.292 176.870 0.230 0.000 1.228 103 L CA -0.265 54.767 54.840 0.320 0.000 0.827 103 L CB 0.069 42.311 42.059 0.306 0.000 1.099 103 L HN 0.542 nan 8.230 nan 0.000 0.494 104 Y N 2.440 122.766 120.300 0.043 0.000 2.944 104 Y HA -0.239 4.312 4.550 0.002 0.000 0.340 104 Y C 1.026 176.925 175.900 -0.002 0.000 1.275 104 Y CA 1.292 59.274 58.100 -0.197 0.000 1.590 104 Y CB -0.061 38.142 38.460 -0.428 0.000 1.218 104 Y HN 0.561 nan 8.280 nan 0.000 0.576 105 Q N 2.293 122.113 119.800 0.034 0.000 2.488 105 Q HA -0.214 4.127 4.340 0.002 0.000 0.279 105 Q C -1.121 174.971 176.000 0.154 0.000 1.174 105 Q CA 0.879 56.769 55.803 0.145 0.000 0.888 105 Q CB -1.227 27.590 28.738 0.132 0.000 1.254 105 Q HN 0.764 nan 8.270 nan 0.000 0.475 106 T N 1.011 115.656 114.554 0.151 0.000 2.829 106 T HA 0.541 4.892 4.350 0.002 0.000 0.280 106 T C -0.587 174.233 174.700 0.201 0.000 0.999 106 T CA -0.531 61.667 62.100 0.164 0.000 0.983 106 T CB 1.727 70.683 68.868 0.146 0.000 0.968 106 T HN 0.183 nan 8.240 nan 0.000 0.446 107 Q N 2.094 122.021 119.800 0.211 0.000 2.331 107 Q HA 0.515 4.856 4.340 0.002 0.000 0.267 107 Q C -0.919 175.220 176.000 0.231 0.000 1.006 107 Q CA -0.642 55.304 55.803 0.238 0.000 0.818 107 Q CB 2.055 30.947 28.738 0.257 0.000 1.276 107 Q HN 0.494 nan 8.270 nan 0.000 0.450 108 L N 4.514 125.888 121.223 0.252 0.000 2.276 108 L HA 0.555 4.896 4.340 0.002 0.000 0.286 108 L C -0.422 176.698 176.870 0.417 0.000 1.061 108 L CA -0.343 54.713 54.840 0.359 0.000 0.807 108 L CB 0.541 42.699 42.059 0.165 0.000 1.177 108 L HN 0.503 nan 8.230 nan 0.000 0.429 109 I N 2.217 123.026 120.570 0.397 0.000 2.569 109 I HA 0.495 4.666 4.170 0.002 0.000 0.290 109 I C 0.251 176.219 176.117 -0.247 0.000 1.088 109 I CA -0.465 60.896 61.300 0.102 0.000 1.047 109 I CB 2.281 40.414 38.000 0.221 0.000 1.237 109 I HN 0.598 nan 8.210 nan 0.000 0.421 110 G N 2.768 111.098 108.800 -0.783 0.000 2.537 110 G HA2 0.234 4.195 3.960 0.002 0.000 0.323 110 G HA3 0.234 4.195 3.960 0.002 0.000 0.323 110 G C -0.918 173.605 174.900 -0.628 0.000 1.207 110 G CA -0.371 44.166 45.100 -0.939 0.000 0.976 110 G HN 0.618 nan 8.290 nan 0.000 0.487 111 D N 0.394 120.503 120.400 -0.485 0.000 2.472 111 D HA 0.132 4.773 4.640 0.002 0.000 0.248 111 D C 1.393 177.385 176.300 -0.513 0.000 1.174 111 D CA 0.395 54.242 54.000 -0.254 0.000 0.883 111 D CB 1.401 42.171 40.800 -0.050 0.000 1.149 111 D HN 0.304 nan 8.370 nan 0.000 0.488 112 A N 4.884 127.118 122.820 -0.977 0.000 2.119 112 A HA -0.099 4.222 4.320 0.002 0.000 0.216 112 A C 1.950 179.303 177.584 -0.386 0.000 1.152 112 A CA 0.820 52.357 52.037 -0.834 0.000 0.708 112 A CB 0.069 18.295 19.000 -1.290 0.000 0.805 112 A HN 0.621 nan 8.150 nan 0.000 0.460 113 K N -0.803 119.469 120.400 -0.213 0.000 2.262 113 K HA 0.079 4.400 4.320 0.002 0.000 0.200 113 K C 0.103 176.669 176.600 -0.056 0.000 1.049 113 K CA 0.505 56.772 56.287 -0.034 0.000 0.979 113 K CB 0.200 32.758 32.500 0.097 0.000 0.773 113 K HN 0.289 nan 8.250 nan 0.000 0.474 114 N N 1.073 119.719 118.700 -0.091 0.000 2.685 114 N HA 0.108 4.849 4.740 0.002 0.000 0.252 114 N C -1.627 173.812 175.510 -0.119 0.000 1.261 114 N CA -0.241 52.766 53.050 -0.073 0.000 0.768 114 N CB 0.930 39.404 38.487 -0.021 0.000 1.304 114 N HN -0.088 nan 8.380 nan 0.000 0.536 115 L N 3.915 125.045 121.223 -0.155 0.000 2.477 115 L HA 0.244 4.585 4.340 0.002 0.000 0.272 115 L C -1.675 175.095 176.870 -0.166 0.000 1.157 115 L CA -0.963 53.742 54.840 -0.225 0.000 0.889 115 L CB -0.099 41.825 42.059 -0.225 0.000 1.158 115 L HN 0.327 nan 8.230 nan 0.000 0.473 116 P HA 0.078 nan 4.420 nan 0.000 0.269 116 P C -0.710 176.620 177.300 0.050 0.000 1.215 116 P CA -0.270 62.836 63.100 0.010 0.000 0.780 116 P CB 0.349 32.100 31.700 0.085 0.000 0.898 117 T N 3.054 117.675 114.554 0.112 0.000 2.767 117 T HA 0.398 4.749 4.350 0.002 0.000 0.284 117 T C 0.213 174.989 174.700 0.127 0.000 0.973 117 T CA -0.460 61.678 62.100 0.064 0.000 0.996 117 T CB 0.187 69.055 68.868 0.000 0.000 0.927 117 T HN 0.175 nan 8.240 nan 0.000 0.456 118 L N 4.173 125.403 121.223 0.010 0.000 2.261 118 L HA 0.413 4.754 4.340 0.002 0.000 0.289 118 L C -0.292 176.543 176.870 -0.057 0.000 1.059 118 L CA -0.834 53.982 54.840 -0.039 0.000 0.816 118 L CB 0.466 42.377 42.059 -0.247 0.000 1.191 118 L HN 0.366 nan 8.230 nan 0.000 0.431 119 L N 4.295 125.520 121.223 0.004 0.000 2.255 119 L HA 0.522 4.864 4.340 0.002 0.000 0.289 119 L C 0.471 177.331 176.870 -0.017 0.000 1.046 119 L CA -0.095 54.733 54.840 -0.019 0.000 0.816 119 L CB 1.137 43.199 42.059 0.005 0.000 1.197 119 L HN 0.637 nan 8.230 nan 0.000 0.427 120 A N 5.136 127.903 122.820 -0.088 0.000 2.491 120 A HA 0.599 4.920 4.320 0.002 0.000 0.261 120 A C 0.682 178.292 177.584 0.043 0.000 1.101 120 A CA 0.104 52.094 52.037 -0.079 0.000 0.772 120 A CB -0.269 18.537 19.000 -0.323 0.000 1.043 120 A HN 1.084 nan 8.150 nan 0.000 0.501 121 A N 4.982 127.889 122.820 0.146 0.000 2.555 121 A HA 0.410 4.731 4.320 0.002 0.000 0.233 121 A C -1.013 176.645 177.584 0.123 0.000 1.060 121 A CA -0.570 51.541 52.037 0.124 0.000 0.759 121 A CB -0.293 18.785 19.000 0.131 0.000 0.995 121 A HN 0.646 nan 8.150 nan 0.000 0.506 122 P HA -0.167 nan 4.420 nan 0.000 0.216 122 P C 0.779 178.134 177.300 0.092 0.000 1.150 122 P CA 1.726 64.872 63.100 0.076 0.000 0.843 122 P CB -0.068 31.663 31.700 0.052 0.000 0.787 123 N N -1.016 117.735 118.700 0.084 0.000 2.313 123 N HA -0.057 4.684 4.740 0.002 0.000 0.207 123 N C 0.060 175.615 175.510 0.076 0.000 1.141 123 N CA -0.532 52.558 53.050 0.066 0.000 0.830 123 N CB -1.147 37.358 38.487 0.029 0.000 1.008 123 N HN 0.059 nan 8.380 nan 0.000 0.481 124 F N 1.867 121.816 119.950 -0.003 0.000 2.637 124 F HA 0.015 4.543 4.527 0.002 0.000 0.372 124 F C 0.445 176.239 175.800 -0.010 0.000 1.107 124 F CA 0.714 58.709 58.000 -0.009 0.000 1.325 124 F CB 0.494 39.483 39.000 -0.019 0.000 1.016 124 F HN 0.019 nan 8.300 nan 0.000 0.593 125 S N 3.679 118.975 115.700 -0.673 0.000 2.619 125 S HA 0.762 5.233 4.470 0.002 0.000 0.280 125 S C -0.480 173.774 174.600 -0.575 0.000 1.150 125 S CA 0.173 58.146 58.200 -0.378 0.000 0.978 125 S CB 0.830 63.888 63.200 -0.238 0.000 1.041 125 S HN 1.489 nan 8.310 nan 0.000 0.485 126 G N 3.134 111.830 108.800 -0.172 0.000 2.359 126 G HA2 0.120 4.081 3.960 0.002 0.000 0.314 126 G HA3 0.120 4.081 3.960 0.002 0.000 0.314 126 G C 0.281 175.271 174.900 0.151 0.000 1.364 126 G CA -0.358 44.705 45.100 -0.062 0.000 0.978 126 G HN 0.804 nan 8.290 nan 0.000 0.615 127 I N 0.363 120.988 120.570 0.092 0.000 2.194 127 I HA 0.240 4.411 4.170 0.002 0.000 0.246 127 I C 1.218 177.414 176.117 0.131 0.000 1.093 127 I CA 2.652 63.980 61.300 0.048 0.000 1.355 127 I CB -0.071 37.905 38.000 -0.039 0.000 1.046 127 I HN 1.471 nan 8.210 nan 0.000 0.413 128 A N -1.600 121.375 122.820 0.258 0.000 2.586 128 A HA 0.285 4.606 4.320 0.002 0.000 0.291 128 A C -0.030 177.713 177.584 0.266 0.000 1.062 128 A CA -0.580 51.577 52.037 0.201 0.000 0.666 128 A CB 0.283 19.421 19.000 0.231 0.000 1.281 128 A HN 0.139 nan 8.150 nan 0.000 0.421 129 L N 0.169 121.371 121.223 -0.035 0.000 2.093 129 L HA 0.214 4.555 4.340 0.002 0.000 0.208 129 L C 0.035 176.954 176.870 0.083 0.000 1.085 129 L CA 1.347 56.157 54.840 -0.050 0.000 0.755 129 L CB -0.133 41.715 42.059 -0.351 0.000 0.904 129 L HN 0.600 nan 8.230 nan 0.000 0.435 130 I N -0.247 120.358 120.570 0.058 0.000 2.406 130 I HA 0.216 4.387 4.170 0.002 0.000 0.290 130 I C -1.152 175.083 176.117 0.196 0.000 0.999 130 I CA -0.592 60.754 61.300 0.076 0.000 1.124 130 I CB 1.672 39.658 38.000 -0.024 0.000 1.289 130 I HN -0.106 nan 8.210 nan 0.000 0.441 131 D N 4.941 125.454 120.400 0.189 0.000 2.505 131 D HA 0.464 5.105 4.640 0.002 0.000 0.250 131 D C 0.346 176.736 176.300 0.150 0.000 1.164 131 D CA -0.415 53.724 54.000 0.232 0.000 0.870 131 D CB 2.077 42.989 40.800 0.187 0.000 1.160 131 D HN 0.590 nan 8.370 nan 0.000 0.549 132 A N 3.399 126.293 122.820 0.124 0.000 2.169 132 A HA 0.128 4.449 4.320 0.002 0.000 0.212 132 A C 0.570 178.134 177.584 -0.035 0.000 1.153 132 A CA 0.297 52.336 52.037 0.003 0.000 0.756 132 A CB 0.241 19.121 19.000 -0.200 0.000 0.813 132 A HN 0.413 nan 8.150 nan 0.000 0.471 133 D N -0.950 119.402 120.400 -0.080 0.000 2.634 133 D HA 0.266 4.907 4.640 0.002 0.000 0.236 133 D C -3.293 172.883 176.300 -0.207 0.000 1.323 133 D CA -1.452 52.459 54.000 -0.147 0.000 0.884 133 D CB 1.024 41.733 40.800 -0.152 0.000 1.496 133 D HN -0.080 nan 8.370 nan 0.000 0.525 134 P HA 0.103 nan 4.420 nan 0.000 0.268 134 P C -0.604 176.557 177.300 -0.233 0.000 1.204 134 P CA 0.168 63.063 63.100 -0.341 0.000 0.768 134 P CB 0.218 31.507 31.700 -0.684 0.000 0.842 135 Y N 1.916 122.213 120.300 -0.005 0.000 2.319 135 Y HA 0.274 4.825 4.550 0.002 0.000 0.328 135 Y C 0.954 176.877 175.900 0.039 0.000 1.133 135 Y CA -0.010 58.109 58.100 0.031 0.000 1.265 135 Y CB 0.468 38.942 38.460 0.023 0.000 1.218 135 Y HN 0.167 nan 8.280 nan 0.000 0.508 136 L N 1.810 123.163 121.223 0.216 0.000 2.341 136 L HA 0.741 5.082 4.340 0.002 0.000 0.267 136 L C 0.095 177.035 176.870 0.116 0.000 1.022 136 L CA -1.629 53.298 54.840 0.145 0.000 0.844 136 L CB 0.617 42.745 42.059 0.116 0.000 1.436 136 L HN 0.618 nan 8.230 nan 0.000 0.483 137 A N -0.185 122.678 122.820 0.073 0.000 2.531 137 A HA 0.403 4.724 4.320 0.002 0.000 0.236 137 A C 1.042 178.657 177.584 0.052 0.000 1.062 137 A CA 0.677 52.743 52.037 0.049 0.000 0.760 137 A CB -0.544 18.474 19.000 0.031 0.000 0.995 137 A HN 1.129 nan 8.150 nan 0.000 0.501 138 G N 0.712 109.536 108.800 0.040 0.000 2.159 138 G HA2 0.153 4.114 3.960 0.002 0.000 0.256 138 G HA3 0.153 4.114 3.960 0.002 0.000 0.256 138 G C 1.649 176.586 174.900 0.061 0.000 0.977 138 G CA 0.921 46.044 45.100 0.039 0.000 0.652 138 G HN 2.814 nan 8.290 nan 0.000 0.531 139 G N -1.060 107.795 108.800 0.091 0.000 2.168 139 G HA2 0.145 4.106 3.960 0.002 0.000 0.257 139 G HA3 0.145 4.106 3.960 0.002 0.000 0.257 139 G C 0.925 175.963 174.900 0.230 0.000 0.997 139 G CA 1.236 46.437 45.100 0.170 0.000 0.708 139 G HN 2.331 nan 8.290 nan 0.000 0.520 140 A N -1.014 121.898 122.820 0.153 0.000 2.346 140 A HA 0.714 5.035 4.320 0.002 0.000 0.252 140 A C 0.501 178.154 177.584 0.115 0.000 1.089 140 A CA 0.473 52.575 52.037 0.108 0.000 0.797 140 A CB 0.468 19.504 19.000 0.060 0.000 1.047 140 A HN 0.586 nan 8.150 nan 0.000 0.494 141 Q N -1.384 118.431 119.800 0.024 0.000 2.484 141 Q HA 0.344 4.686 4.340 0.002 0.000 0.285 141 Q C -0.322 175.669 176.000 -0.015 0.000 1.097 141 Q CA -0.904 54.862 55.803 -0.062 0.000 0.802 141 Q CB 1.098 29.698 28.738 -0.229 0.000 1.444 141 Q HN 0.716 nan 8.270 nan 0.000 0.429 142 Y N -0.128 119.939 120.300 -0.388 0.000 2.114 142 Y HA -0.192 4.359 4.550 0.002 0.000 0.282 142 Y C 0.321 175.859 175.900 -0.603 0.000 1.165 142 Y CA 1.304 59.004 58.100 -0.666 0.000 1.148 142 Y CB 0.021 37.710 38.460 -1.284 0.000 0.972 142 Y HN 0.417 nan 8.280 nan 0.000 0.504 143 Y N -2.951 117.413 120.300 0.107 0.000 2.492 143 Y HA 0.473 5.024 4.550 0.002 0.000 0.346 143 Y C -0.348 175.521 175.900 -0.052 0.000 0.997 143 Y CA -2.349 55.764 58.100 0.022 0.000 1.025 143 Y CB 0.677 39.173 38.460 0.060 0.000 1.263 143 Y HN -0.495 nan 8.280 nan 0.000 0.454 144 V N 3.211 123.182 119.914 0.095 0.000 2.540 144 V HA -0.109 4.012 4.120 0.002 0.000 0.297 144 V C 1.027 177.093 176.094 -0.046 0.000 1.024 144 V CA 0.330 62.633 62.300 0.004 0.000 1.105 144 V CB 0.212 32.024 31.823 -0.018 0.000 0.938 144 V HN 0.998 nan 8.190 nan 0.000 0.482 145 N N 4.587 123.252 118.700 -0.057 0.000 2.149 145 N HA -0.246 4.495 4.740 0.002 0.000 0.188 145 N C 1.322 176.741 175.510 -0.151 0.000 1.019 145 N CA 1.518 54.507 53.050 -0.102 0.000 0.857 145 N CB -0.254 38.198 38.487 -0.058 0.000 0.997 145 N HN 0.724 nan 8.380 nan 0.000 0.426 146 Q N -0.729 119.012 119.800 -0.099 0.000 2.488 146 Q HA 0.147 4.488 4.340 0.002 0.000 0.211 146 Q C 0.782 176.696 176.000 -0.143 0.000 0.967 146 Q CA 0.517 56.280 55.803 -0.066 0.000 0.926 146 Q CB -0.004 28.750 28.738 0.027 0.000 0.992 146 Q HN 0.482 nan 8.270 nan 0.000 0.506 147 N N 0.045 118.543 118.700 -0.337 0.000 2.184 147 N HA 0.022 4.763 4.740 0.002 0.000 0.206 147 N C -0.454 174.337 175.510 -1.198 0.000 1.151 147 N CA 0.035 52.660 53.050 -0.708 0.000 0.878 147 N CB 0.394 38.722 38.487 -0.264 0.000 1.014 147 N HN 0.074 nan 8.380 nan 0.000 0.512 148 N N 1.020 119.204 118.700 -0.859 0.000 2.807 148 N HA 0.115 4.856 4.740 0.002 0.000 0.259 148 N C -1.104 173.861 175.510 -0.909 0.000 1.149 148 N CA -0.021 52.599 53.050 -0.717 0.000 1.042 148 N CB -0.440 37.809 38.487 -0.396 0.000 1.367 148 N HN -0.041 nan 8.380 nan 0.000 0.516 149 F N 1.167 120.633 119.950 -0.807 0.000 2.461 149 F HA 0.525 5.053 4.527 0.002 0.000 0.337 149 F C 0.504 175.726 175.800 -0.963 0.000 1.079 149 F CA -1.299 56.094 58.000 -1.011 0.000 1.032 149 F CB 0.194 38.352 39.000 -1.403 0.000 1.327 149 F HN -0.013 nan 8.300 nan 0.000 0.491 150 F N -0.247 119.630 119.950 -0.122 0.000 2.685 150 F HA -0.107 4.421 4.527 0.002 0.000 0.336 150 F C -0.098 175.644 175.800 -0.097 0.000 1.061 150 F CA -0.295 57.672 58.000 -0.055 0.000 1.118 150 F CB -1.721 37.265 39.000 -0.024 0.000 1.436 150 F HN 0.430 nan 8.300 nan 0.000 0.816 151 R N 0.757 121.335 120.500 0.130 0.000 2.548 151 R HA 0.781 5.122 4.340 0.002 0.000 0.280 151 R C -1.041 175.517 176.300 0.430 0.000 1.061 151 R CA -0.765 55.443 56.100 0.179 0.000 0.915 151 R CB 2.336 32.586 30.300 -0.085 0.000 1.210 151 R HN 0.200 nan 8.270 nan 0.000 0.442 152 S N 2.092 118.057 115.700 0.441 0.000 2.548 152 S HA 0.712 5.183 4.470 0.002 0.000 0.276 152 S C -1.586 173.179 174.600 0.275 0.000 1.129 152 S CA -0.536 57.904 58.200 0.400 0.000 0.931 152 S CB 1.405 64.800 63.200 0.326 0.000 1.068 152 S HN 0.233 nan 8.310 nan 0.000 0.480 153 V N 5.620 125.592 119.914 0.097 0.000 2.444 153 V HA 0.630 4.751 4.120 0.002 0.000 0.294 153 V C -0.546 175.565 176.094 0.028 0.000 1.022 153 V CA -0.689 61.614 62.300 0.006 0.000 0.850 153 V CB 1.495 33.163 31.823 -0.259 0.000 0.992 153 V HN 0.846 nan 8.190 nan 0.000 0.426 154 R N 4.222 124.794 120.500 0.120 0.000 2.575 154 R HA 0.576 4.917 4.340 0.002 0.000 0.293 154 R C -0.832 175.312 176.300 -0.259 0.000 0.983 154 R CA -0.913 55.161 56.100 -0.044 0.000 0.887 154 R CB 1.521 31.771 30.300 -0.082 0.000 1.184 154 R HN 0.707 nan 8.270 nan 0.000 0.445 155 N N 1.498 120.008 118.700 -0.316 0.000 2.846 155 N HA -0.152 4.589 4.740 0.002 0.000 0.249 155 N C -1.542 173.497 175.510 -0.785 0.000 1.090 155 N CA 0.873 53.617 53.050 -0.510 0.000 0.674 155 N CB -1.125 37.008 38.487 -0.590 0.000 0.938 155 N HN 0.442 nan 8.380 nan 0.000 0.559 156 F N -0.960 118.770 119.950 -0.366 0.000 2.588 156 F HA 0.551 5.079 4.527 0.002 0.000 0.310 156 F C 0.498 176.062 175.800 -0.393 0.000 1.082 156 F CA -0.943 56.820 58.000 -0.395 0.000 0.929 156 F CB 1.516 40.227 39.000 -0.481 0.000 1.254 156 F HN -0.196 nan 8.300 nan 0.000 0.455 157 V N 4.069 123.904 119.914 -0.131 0.000 2.432 157 V HA 0.346 4.467 4.120 0.002 0.000 0.275 157 V C 0.008 175.977 176.094 -0.209 0.000 1.043 157 V CA -0.474 61.711 62.300 -0.192 0.000 0.925 157 V CB 1.123 32.865 31.823 -0.134 0.000 0.985 157 V HN 0.482 nan 8.190 nan 0.000 0.466 158 I N 4.141 124.508 120.570 -0.340 0.000 2.354 158 I HA 0.371 4.542 4.170 0.002 0.000 0.286 158 I C -0.703 175.296 176.117 -0.197 0.000 1.007 158 I CA -0.243 60.866 61.300 -0.318 0.000 1.167 158 I CB 1.557 39.274 38.000 -0.472 0.000 1.320 158 I HN 0.535 nan 8.210 nan 0.000 0.458 159 D N 7.396 127.704 120.400 -0.153 0.000 2.453 159 D HA 0.317 4.958 4.640 0.002 0.000 0.238 159 D C 0.392 176.612 176.300 -0.133 0.000 1.088 159 D CA -0.338 53.599 54.000 -0.106 0.000 0.854 159 D CB 1.401 42.157 40.800 -0.073 0.000 1.076 159 D HN 0.433 nan 8.370 nan 0.000 0.533 160 L N 3.143 124.272 121.223 -0.157 0.000 2.592 160 L HA 0.225 4.566 4.340 0.002 0.000 0.227 160 L C 2.105 178.864 176.870 -0.186 0.000 1.127 160 L CA -0.056 54.596 54.840 -0.313 0.000 0.884 160 L CB 0.123 41.831 42.059 -0.586 0.000 1.065 160 L HN 0.191 nan 8.230 nan 0.000 0.457 161 R N 0.143 120.642 120.500 -0.001 0.000 2.235 161 R HA -0.091 4.250 4.340 0.002 0.000 0.213 161 R C 1.743 178.111 176.300 0.113 0.000 1.059 161 R CA 0.735 56.915 56.100 0.135 0.000 0.997 161 R CB -0.049 30.299 30.300 0.079 0.000 0.884 161 R HN 0.478 nan 8.270 nan 0.000 0.462 162 Q N 0.202 120.033 119.800 0.051 0.000 2.451 162 Q HA 0.051 4.392 4.340 0.002 0.000 0.206 162 Q C -0.228 175.814 176.000 0.070 0.000 0.947 162 Q CA 0.274 56.107 55.803 0.049 0.000 0.937 162 Q CB 0.694 29.448 28.738 0.027 0.000 1.025 162 Q HN 0.061 nan 8.270 nan 0.000 0.511 163 V N 1.556 121.524 119.914 0.089 0.000 2.406 163 V HA 0.005 4.126 4.120 0.002 0.000 0.272 163 V C 1.150 177.374 176.094 0.216 0.000 1.043 163 V CA 0.241 62.613 62.300 0.119 0.000 0.915 163 V CB 1.428 33.274 31.823 0.038 0.000 0.988 163 V HN 0.250 nan 8.190 nan 0.000 0.466 164 S N 3.747 119.523 115.700 0.126 0.000 2.425 164 S HA 0.101 4.572 4.470 0.002 0.000 0.225 164 S C 1.130 175.771 174.600 0.068 0.000 1.024 164 S CA 0.497 58.743 58.200 0.077 0.000 0.951 164 S CB 0.031 63.255 63.200 0.040 0.000 0.796 164 S HN 0.826 nan 8.310 nan 0.000 0.498 165 G N 1.557 110.413 108.800 0.092 0.000 2.714 165 G HA2 0.445 4.406 3.960 0.002 0.000 0.197 165 G HA3 0.445 4.406 3.960 0.002 0.000 0.197 165 G C -0.117 174.854 174.900 0.120 0.000 1.449 165 G CA -0.043 45.099 45.100 0.071 0.000 1.065 165 G HN 0.645 nan 8.290 nan 0.000 0.575 166 S N -0.987 114.762 115.700 0.082 0.000 2.572 166 S HA 0.572 5.043 4.470 0.002 0.000 0.279 166 S C -0.115 174.543 174.600 0.096 0.000 1.341 166 S CA 0.442 58.696 58.200 0.090 0.000 1.043 166 S CB 0.912 64.123 63.200 0.019 0.000 0.887 166 S HN 1.797 nan 8.310 nan 0.000 0.516 167 A N 2.782 125.642 122.820 0.066 0.000 2.566 167 A HA 0.668 4.989 4.320 0.002 0.000 0.297 167 A C -0.488 177.025 177.584 -0.119 0.000 1.059 167 A CA -0.813 51.166 52.037 -0.097 0.000 0.691 167 A CB 1.558 20.363 19.000 -0.325 0.000 1.282 167 A HN 0.816 nan 8.150 nan 0.000 0.401 168 T N 1.242 115.721 114.554 -0.126 0.000 2.848 168 T HA 0.532 4.883 4.350 0.002 0.000 0.285 168 T C 1.345 175.996 174.700 -0.082 0.000 0.995 168 T CA 0.199 62.266 62.100 -0.055 0.000 0.970 168 T CB 1.774 70.657 68.868 0.025 0.000 0.976 168 T HN 1.136 nan 8.240 nan 0.000 0.441 169 G N 2.329 111.136 108.800 0.012 0.000 2.464 169 G HA2 0.124 4.085 3.960 0.002 0.000 0.214 169 G HA3 0.124 4.085 3.960 0.002 0.000 0.214 169 G C 0.244 175.204 174.900 0.100 0.000 1.218 169 G CA 0.624 45.772 45.100 0.080 0.000 0.794 169 G HN 0.679 nan 8.290 nan 0.000 0.542 170 I N -0.744 119.944 120.570 0.197 0.000 2.512 170 I HA 0.192 4.363 4.170 0.002 0.000 0.287 170 I C -0.893 175.440 176.117 0.361 0.000 1.069 170 I CA -0.705 60.731 61.300 0.226 0.000 1.056 170 I CB 2.551 40.640 38.000 0.149 0.000 1.229 170 I HN 0.201 nan 8.210 nan 0.000 0.429 171 H N 6.741 125.986 119.070 0.292 0.000 3.109 171 H HA 0.058 4.615 4.556 0.002 0.000 0.266 171 H C -0.881 174.668 175.328 0.369 0.000 1.334 171 H CA -0.251 55.996 56.048 0.331 0.000 1.456 171 H CB 0.559 30.495 29.762 0.290 0.000 1.587 171 H HN 0.684 nan 8.280 nan 0.000 0.500 172 W N 7.040 128.316 121.300 -0.040 0.000 1.789 172 W HA 0.111 4.772 4.660 0.002 0.000 0.333 172 W C -0.401 176.011 176.519 -0.178 0.000 0.724 172 W CA -0.709 56.584 57.345 -0.087 0.000 2.024 172 W CB 0.422 29.893 29.460 0.019 0.000 2.064 172 W HN 0.643 nan 8.180 nan 0.000 0.390 173 Q N 3.494 123.015 119.800 -0.465 0.000 2.553 173 Q HA 0.227 4.568 4.340 0.002 0.000 0.221 173 Q C -0.411 175.317 176.000 -0.453 0.000 1.219 173 Q CA 0.113 55.657 55.803 -0.432 0.000 0.955 173 Q CB 0.145 28.574 28.738 -0.515 0.000 1.399 173 Q HN 0.282 nan 8.270 nan 0.000 0.551 174 V N -1.267 118.374 119.914 -0.455 0.000 3.182 174 V HA 0.774 4.895 4.120 0.002 0.000 0.308 174 V C -0.533 175.356 176.094 -0.341 0.000 1.240 174 V CA -0.739 61.233 62.300 -0.546 0.000 1.063 174 V CB 2.082 33.313 31.823 -0.987 0.000 1.076 174 V HN 0.425 nan 8.190 nan 0.000 0.446 175 S N -0.843 114.625 115.700 -0.387 0.000 3.848 175 S HA 0.539 5.010 4.470 0.002 0.000 0.266 175 S C -0.528 173.800 174.600 -0.453 0.000 1.050 175 S CA -0.597 57.403 58.200 -0.334 0.000 1.322 175 S CB 0.937 64.005 63.200 -0.221 0.000 1.264 175 S HN 0.899 nan 8.310 nan 0.000 0.751 176 Q N 0.495 119.942 119.800 -0.588 0.000 2.396 176 Q HA 0.625 4.966 4.340 0.002 0.000 0.221 176 Q C 0.031 175.482 176.000 -0.915 0.000 1.025 176 Q CA 0.609 55.768 55.803 -1.074 0.000 0.946 176 Q CB 0.187 27.549 28.738 -2.294 0.000 1.224 176 Q HN 0.922 nan 8.270 nan 0.000 0.539 177 A N -0.004 122.360 122.820 -0.760 0.000 2.640 177 A HA -0.166 4.155 4.320 0.002 0.000 0.300 177 A C -0.049 177.501 177.584 -0.058 0.000 1.499 177 A CA 1.126 52.908 52.037 -0.425 0.000 0.759 177 A CB -2.492 16.282 19.000 -0.376 0.000 1.048 177 A HN 0.689 nan 8.150 nan 0.000 0.450 178 T N -2.082 112.478 114.554 0.010 0.000 2.903 178 T HA 0.871 5.222 4.350 0.002 0.000 0.299 178 T C -0.508 174.439 174.700 0.410 0.000 1.093 178 T CA 0.172 62.387 62.100 0.193 0.000 1.002 178 T CB 2.069 70.929 68.868 -0.013 0.000 1.127 178 T HN 1.980 nan 8.240 nan 0.000 0.488 179 S N 1.420 117.453 115.700 0.556 0.000 2.556 179 S HA 0.746 5.217 4.470 0.002 0.000 0.271 179 S C -1.286 173.529 174.600 0.359 0.000 1.135 179 S CA -1.107 57.404 58.200 0.519 0.000 0.858 179 S CB 1.111 64.617 63.200 0.511 0.000 1.114 179 S HN 0.831 nan 8.310 nan 0.000 0.468 180 L N 2.031 123.342 121.223 0.146 0.000 2.329 180 L HA 0.715 5.056 4.340 0.002 0.000 0.279 180 L C -0.898 175.986 176.870 0.024 0.000 1.014 180 L CA -0.825 53.961 54.840 -0.090 0.000 0.814 180 L CB 1.443 43.316 42.059 -0.311 0.000 1.257 180 L HN 0.660 nan 8.230 nan 0.000 0.424 181 I N 2.433 122.998 120.570 -0.008 0.000 2.607 181 I HA 0.271 4.442 4.170 0.002 0.000 0.290 181 I C -0.393 175.677 176.117 -0.078 0.000 1.129 181 I CA -0.758 60.548 61.300 0.010 0.000 1.042 181 I CB 1.972 39.980 38.000 0.013 0.000 1.242 181 I HN 0.680 nan 8.210 nan 0.000 0.421 182 N N 4.532 123.182 118.700 -0.084 0.000 2.696 182 N HA -0.176 4.565 4.740 0.002 0.000 0.256 182 N C -1.581 173.805 175.510 -0.206 0.000 1.031 182 N CA 0.745 53.711 53.050 -0.140 0.000 0.730 182 N CB -0.719 37.673 38.487 -0.158 0.000 0.894 182 N HN 0.550 nan 8.380 nan 0.000 0.544 183 I N 0.216 120.638 120.570 -0.247 0.000 2.433 183 I HA 0.380 4.551 4.170 0.002 0.000 0.292 183 I C 0.085 175.921 176.117 -0.469 0.000 1.001 183 I CA -1.126 59.926 61.300 -0.413 0.000 1.119 183 I CB 1.954 39.595 38.000 -0.598 0.000 1.289 183 I HN -0.128 nan 8.210 nan 0.000 0.438 184 V N 6.313 125.949 119.914 -0.465 0.000 2.370 184 V HA 0.363 4.484 4.120 0.002 0.000 0.283 184 V C -0.486 175.307 176.094 -0.502 0.000 1.023 184 V CA -0.534 61.541 62.300 -0.375 0.000 0.857 184 V CB 0.787 32.479 31.823 -0.218 0.000 0.985 184 V HN 0.372 nan 8.190 nan 0.000 0.443 185 F N 3.669 123.428 119.950 -0.318 0.000 2.391 185 F HA 0.471 4.998 4.527 0.002 0.000 0.359 185 F C 0.719 176.458 175.800 -0.102 0.000 1.122 185 F CA -0.490 57.382 58.000 -0.213 0.000 1.120 185 F CB 1.011 39.890 39.000 -0.202 0.000 1.142 185 F HN 0.377 nan 8.300 nan 0.000 0.483 186 Q N 5.684 125.513 119.800 0.049 0.000 2.372 186 Q HA 0.519 4.860 4.340 0.002 0.000 0.259 186 Q C -0.531 175.514 176.000 0.074 0.000 0.993 186 Q CA -0.120 55.709 55.803 0.045 0.000 0.854 186 Q CB 2.411 31.146 28.738 -0.006 0.000 1.231 186 Q HN 0.777 nan 8.270 nan 0.000 0.462 187 M N 0.197 119.875 119.600 0.129 0.000 2.716 187 M HA 0.353 4.834 4.480 0.002 0.000 0.307 187 M C 0.256 176.681 176.300 0.210 0.000 1.223 187 M CA -0.874 54.556 55.300 0.217 0.000 0.871 187 M CB 2.202 34.941 32.600 0.231 0.000 1.739 187 M HN 0.418 nan 8.290 nan 0.000 0.475 188 S N 0.143 116.026 115.700 0.305 0.000 2.568 188 S HA 0.112 4.583 4.470 0.002 0.000 0.282 188 S C 0.837 175.427 174.600 -0.017 0.000 1.338 188 S CA 0.065 58.281 58.200 0.027 0.000 1.045 188 S CB 0.371 63.417 63.200 -0.256 0.000 0.873 188 S HN 0.793 nan 8.310 nan 0.000 0.516 189 T N 1.677 116.218 114.554 -0.021 0.000 3.134 189 T HA 0.509 4.860 4.350 0.002 0.000 0.260 189 T C 0.463 175.135 174.700 -0.045 0.000 1.027 189 T CA 0.077 62.161 62.100 -0.026 0.000 0.913 189 T CB -0.100 68.765 68.868 -0.006 0.000 1.046 189 T HN 0.781 nan 8.240 nan 0.000 0.553 190 A N 1.599 124.378 122.820 -0.067 0.000 2.540 190 A HA 0.633 4.954 4.320 0.002 0.000 0.239 190 A C 1.031 178.572 177.584 -0.072 0.000 1.061 190 A CA -0.164 51.832 52.037 -0.068 0.000 0.758 190 A CB -0.618 18.334 19.000 -0.079 0.000 0.991 190 A HN 0.962 nan 8.150 nan 0.000 0.502 191 A N 2.122 124.910 122.820 -0.054 0.000 2.591 191 A HA 0.427 4.748 4.320 0.002 0.000 0.244 191 A C 1.773 179.320 177.584 -0.061 0.000 1.031 191 A CA 0.994 53.001 52.037 -0.051 0.000 0.767 191 A CB -0.933 18.044 19.000 -0.039 0.000 0.942 191 A HN 2.807 nan 8.150 nan 0.000 0.514 192 G N 2.198 110.960 108.800 -0.063 0.000 2.168 192 G HA2 -0.349 3.612 3.960 0.002 0.000 0.263 192 G HA3 -0.349 3.612 3.960 0.002 0.000 0.263 192 G C 0.177 175.023 174.900 -0.090 0.000 0.977 192 G CA 0.818 45.879 45.100 -0.066 0.000 0.659 192 G HN 1.910 nan 8.290 nan 0.000 0.533 193 N N -0.544 118.080 118.700 -0.127 0.000 2.344 193 N HA 0.325 5.066 4.740 0.002 0.000 0.236 193 N C 0.404 175.818 175.510 -0.161 0.000 1.279 193 N CA 0.551 53.474 53.050 -0.212 0.000 0.882 193 N CB 0.298 38.581 38.487 -0.339 0.000 1.110 193 N HN 0.393 nan 8.380 nan 0.000 0.436 194 Q N -0.324 119.387 119.800 -0.149 0.000 2.324 194 Q HA 0.153 4.494 4.340 0.002 0.000 0.373 194 Q C -0.904 175.163 176.000 0.111 0.000 0.909 194 Q CA -0.283 55.505 55.803 -0.026 0.000 1.135 194 Q CB 0.045 28.778 28.738 -0.008 0.000 1.313 194 Q HN 0.667 nan 8.270 nan 0.000 0.417 195 H N 0.628 119.675 119.070 -0.039 0.000 2.467 195 H HA 0.368 4.925 4.556 0.002 0.000 0.331 195 H C -0.466 174.837 175.328 -0.041 0.000 1.120 195 H CA -0.452 55.576 56.048 -0.033 0.000 1.270 195 H CB 1.432 31.184 29.762 -0.016 0.000 1.466 195 H HN 0.122 nan 8.280 nan 0.000 0.504 196 Q N 1.940 121.783 119.800 0.073 0.000 2.289 196 Q HA 0.258 4.599 4.340 0.002 0.000 0.270 196 Q C 0.026 176.020 176.000 -0.009 0.000 1.038 196 Q CA -0.657 55.145 55.803 -0.001 0.000 0.812 196 Q CB 1.874 30.600 28.738 -0.019 0.000 1.300 196 Q HN 0.893 nan 8.270 nan 0.000 0.427 197 G N 4.284 113.048 108.800 -0.061 0.000 2.505 197 G HA2 0.030 3.991 3.960 0.002 0.000 0.214 197 G HA3 0.030 3.991 3.960 0.002 0.000 0.214 197 G C 0.408 175.206 174.900 -0.170 0.000 1.237 197 G CA 0.442 45.439 45.100 -0.172 0.000 0.802 197 G HN 0.563 nan 8.290 nan 0.000 0.549 198 I N -0.499 119.978 120.570 -0.154 0.000 2.530 198 I HA 0.442 4.613 4.170 0.002 0.000 0.297 198 I C -1.530 174.639 176.117 0.087 0.000 1.011 198 I CA -0.899 60.401 61.300 -0.001 0.000 1.107 198 I CB 2.582 40.587 38.000 0.009 0.000 1.285 198 I HN 0.083 nan 8.210 nan 0.000 0.436 199 F N 7.699 127.697 119.950 0.080 0.000 2.427 199 F HA 0.605 5.133 4.527 0.002 0.000 0.348 199 F C -0.773 175.177 175.800 0.250 0.000 1.125 199 F CA -0.766 57.301 58.000 0.113 0.000 0.989 199 F CB 1.380 40.457 39.000 0.129 0.000 1.165 199 F HN 0.338 nan 8.300 nan 0.000 0.442 200 M N 7.557 126.927 119.600 -0.384 0.000 2.142 200 M HA 0.265 4.746 4.480 0.002 0.000 0.299 200 M C 0.028 176.050 176.300 -0.463 0.000 0.960 200 M CA -0.274 54.855 55.300 -0.286 0.000 0.920 200 M CB 1.305 33.956 32.600 0.086 0.000 1.541 200 M HN 0.785 nan 8.290 nan 0.000 0.429 201 E N 2.819 122.761 120.200 -0.431 0.000 2.251 201 E HA 0.075 4.426 4.350 0.002 0.000 0.194 201 E C -0.513 176.210 176.600 0.204 0.000 0.964 201 E CA 0.718 57.027 56.400 -0.152 0.000 0.868 201 E CB 0.277 29.979 29.700 0.004 0.000 0.828 201 E HN 0.821 nan 8.360 nan 0.000 0.481 202 N N -0.604 118.188 118.700 0.153 0.000 3.364 202 N HA 0.540 5.281 4.740 0.002 0.000 0.294 202 N C -0.147 175.404 175.510 0.068 0.000 1.562 202 N CA -0.124 53.103 53.050 0.295 0.000 0.862 202 N CB 1.102 39.839 38.487 0.417 0.000 1.691 202 N HN 0.195 nan 8.380 nan 0.000 0.572 203 G N -1.522 107.317 108.800 0.066 0.000 2.347 203 G HA2 0.419 4.380 3.960 0.002 0.000 0.341 203 G HA3 0.419 4.380 3.960 0.002 0.000 0.341 203 G C -1.670 173.171 174.900 -0.098 0.000 1.287 203 G CA -0.168 44.901 45.100 -0.053 0.000 0.984 203 G HN 1.449 nan 8.290 nan 0.000 0.526 204 S N -0.074 115.547 115.700 -0.133 0.000 2.383 204 S HA 0.667 5.138 4.470 0.002 0.000 0.196 204 S C 0.666 175.106 174.600 -0.266 0.000 1.364 204 S CA 0.848 58.954 58.200 -0.157 0.000 1.212 204 S CB -0.036 63.137 63.200 -0.046 0.000 1.171 204 S HN 2.012 nan 8.310 nan 0.000 0.456 205 G N 1.502 110.049 108.800 -0.422 0.000 2.535 205 G HA2 0.787 4.748 3.960 0.002 0.000 0.282 205 G HA3 0.787 4.748 3.960 0.002 0.000 0.282 205 G C 0.395 174.768 174.900 -0.877 0.000 1.350 205 G CA -0.275 44.260 45.100 -0.942 0.000 1.039 205 G HN 1.546 nan 8.290 nan 0.000 0.509 206 G N -2.426 105.754 108.800 -1.032 0.000 2.312 206 G HA2 0.463 4.424 3.960 0.002 0.000 0.347 206 G HA3 0.463 4.424 3.960 0.002 0.000 0.347 206 G C -1.655 172.560 174.900 -1.141 0.000 1.564 206 G CA -0.562 43.599 45.100 -1.565 0.000 0.981 206 G HN 1.195 nan 8.290 nan 0.000 0.678 207 F N 1.599 121.216 119.950 -0.555 0.000 2.565 207 F HA 0.872 5.400 4.527 0.002 0.000 0.313 207 F C -0.785 175.235 175.800 0.366 0.000 1.091 207 F CA -1.017 56.974 58.000 -0.014 0.000 0.915 207 F CB 1.952 40.975 39.000 0.040 0.000 1.208 207 F HN 0.885 nan 8.300 nan 0.000 0.453 208 L N 2.900 123.649 121.223 -0.790 0.000 2.469 208 L HA 1.133 5.474 4.340 0.002 0.000 0.256 208 L C -0.863 175.508 176.870 -0.831 0.000 1.006 208 L CA -0.689 53.836 54.840 -0.525 0.000 0.832 208 L CB 1.728 43.765 42.059 -0.036 0.000 1.421 208 L HN 0.899 nan 8.230 nan 0.000 0.410 209 G N -0.999 107.635 108.800 -0.275 0.000 2.547 209 G HA2 0.511 4.472 3.960 0.002 0.000 0.291 209 G HA3 0.511 4.472 3.960 0.002 0.000 0.291 209 G C -1.680 173.271 174.900 0.085 0.000 1.471 209 G CA -0.132 44.950 45.100 -0.031 0.000 0.798 209 G HN 0.962 nan 8.290 nan 0.000 0.504 210 D N -0.616 119.844 120.400 0.101 0.000 2.737 210 D HA -0.145 4.496 4.640 0.002 0.000 0.243 210 D C 0.007 176.294 176.300 -0.022 0.000 1.109 210 D CA 1.071 55.104 54.000 0.054 0.000 0.702 210 D CB -1.267 39.573 40.800 0.066 0.000 1.068 210 D HN 0.450 nan 8.370 nan 0.000 0.432 211 L N -0.689 120.510 121.223 -0.039 0.000 2.333 211 L HA 0.733 5.074 4.340 0.002 0.000 0.269 211 L C 0.329 177.071 176.870 -0.213 0.000 1.010 211 L CA -1.171 53.581 54.840 -0.147 0.000 0.818 211 L CB 2.369 44.343 42.059 -0.141 0.000 1.306 211 L HN -0.225 nan 8.230 nan 0.000 0.430 212 V N 1.713 121.449 119.914 -0.297 0.000 2.531 212 V HA 0.471 4.592 4.120 0.002 0.000 0.301 212 V C -0.968 174.967 176.094 -0.265 0.000 1.034 212 V CA -0.429 61.743 62.300 -0.213 0.000 0.865 212 V CB 1.758 33.510 31.823 -0.118 0.000 0.995 212 V HN 0.403 nan 8.190 nan 0.000 0.424 213 F N 2.668 122.556 119.950 -0.103 0.000 2.449 213 F HA 0.534 5.062 4.527 0.002 0.000 0.342 213 F C 0.350 176.156 175.800 0.010 0.000 1.127 213 F CA -0.490 57.495 58.000 -0.026 0.000 0.975 213 F CB 1.525 40.430 39.000 -0.159 0.000 1.146 213 F HN 0.435 nan 8.300 nan 0.000 0.444 214 N N 2.290 121.109 118.700 0.199 0.000 2.479 214 N HA 0.630 5.371 4.740 0.002 0.000 0.261 214 N C 0.161 175.746 175.510 0.125 0.000 0.979 214 N CA -0.346 52.780 53.050 0.127 0.000 0.930 214 N CB 1.778 40.307 38.487 0.070 0.000 1.172 214 N HN 0.926 nan 8.380 nan 0.000 0.499 215 G N 1.565 110.427 108.800 0.104 0.000 2.593 215 G HA2 0.256 4.217 3.960 0.002 0.000 0.237 215 G HA3 0.256 4.217 3.960 0.002 0.000 0.237 215 G C 0.159 175.110 174.900 0.086 0.000 1.312 215 G CA -0.323 44.823 45.100 0.077 0.000 0.896 215 G HN 1.299 nan 8.290 nan 0.000 0.574 216 G N -1.663 107.176 108.800 0.065 0.000 2.730 216 G HA2 0.171 4.132 3.960 0.002 0.000 0.686 216 G HA3 0.171 4.132 3.960 0.002 0.000 0.686 216 G C 0.428 175.324 174.900 -0.006 0.000 1.343 216 G CA 0.778 45.917 45.100 0.064 0.000 0.826 216 G HN 2.088 nan 8.290 nan 0.000 0.582 217 N N -0.682 118.005 118.700 -0.021 0.000 2.135 217 N HA 0.070 4.811 4.740 0.002 0.000 0.186 217 N C 0.983 176.435 175.510 -0.097 0.000 1.027 217 N CA 1.759 54.773 53.050 -0.060 0.000 0.849 217 N CB -0.015 38.438 38.487 -0.057 0.000 1.002 217 N HN 0.647 nan 8.380 nan 0.000 0.425 218 I N -0.303 120.203 120.570 -0.106 0.000 2.447 218 I HA 0.304 4.475 4.170 0.002 0.000 0.287 218 I C 1.194 177.180 176.117 -0.218 0.000 1.023 218 I CA -0.874 60.311 61.300 -0.192 0.000 1.083 218 I CB 2.052 39.939 38.000 -0.188 0.000 1.245 218 I HN 0.055 nan 8.210 nan 0.000 0.434 219 G N 4.891 113.496 108.800 -0.324 0.000 2.511 219 G HA2 0.088 4.049 3.960 0.002 0.000 0.216 219 G HA3 0.088 4.049 3.960 0.002 0.000 0.216 219 G C 0.496 175.024 174.900 -0.621 0.000 1.218 219 G CA 0.968 45.800 45.100 -0.446 0.000 0.788 219 G HN 0.703 nan 8.290 nan 0.000 0.560 220 A N -1.129 121.255 122.820 -0.727 0.000 2.408 220 A HA 0.635 4.956 4.320 0.002 0.000 0.295 220 A C -0.567 176.504 177.584 -0.856 0.000 1.040 220 A CA -0.360 51.167 52.037 -0.850 0.000 0.707 220 A CB 1.422 19.639 19.000 -1.306 0.000 1.235 220 A HN 0.072 nan 8.150 nan 0.000 0.418 221 T N 3.137 117.382 114.554 -0.514 0.000 2.729 221 T HA 0.514 4.865 4.350 0.002 0.000 0.296 221 T C -1.059 173.432 174.700 -0.349 0.000 0.928 221 T CA 0.594 62.499 62.100 -0.325 0.000 1.045 221 T CB -0.577 68.326 68.868 0.058 0.000 0.902 221 T HN 0.303 nan 8.240 nan 0.000 0.500 222 F N 2.366 122.180 119.950 -0.227 0.000 2.427 222 F HA 0.607 5.135 4.527 0.002 0.000 0.348 222 F C 0.735 176.308 175.800 -0.378 0.000 1.125 222 F CA -1.514 56.300 58.000 -0.310 0.000 0.989 222 F CB 1.716 40.366 39.000 -0.582 0.000 1.165 222 F HN 0.580 nan 8.300 nan 0.000 0.442 223 G N 3.558 112.280 108.800 -0.129 0.000 2.683 223 G HA2 0.517 4.478 3.960 0.002 0.000 0.299 223 G HA3 0.517 4.478 3.960 0.002 0.000 0.299 223 G C -1.531 173.038 174.900 -0.552 0.000 1.432 223 G CA -0.521 44.277 45.100 -0.504 0.000 0.978 223 G HN 0.514 nan 8.290 nan 0.000 0.513 224 N N 1.293 119.417 118.700 -0.960 0.000 2.928 224 N HA 0.018 4.760 4.740 0.002 0.000 0.247 224 N C 0.892 175.857 175.510 -0.908 0.000 1.141 224 N CA -0.467 52.215 53.050 -0.612 0.000 0.977 224 N CB 1.721 40.237 38.487 0.048 0.000 1.663 224 N HN 0.476 nan 8.380 nan 0.000 0.509 225 Q N 0.126 119.426 119.800 -0.835 0.000 2.047 225 Q HA -0.201 4.140 4.340 0.002 0.000 0.211 225 Q C 0.224 176.092 176.000 -0.219 0.000 1.005 225 Q CA 1.878 57.202 55.803 -0.797 0.000 0.866 225 Q CB -0.033 28.206 28.738 -0.831 0.000 0.938 225 Q HN 0.675 nan 8.270 nan 0.000 0.414 226 Q N -1.713 117.972 119.800 -0.192 0.000 2.482 226 Q HA 0.519 4.860 4.340 0.002 0.000 0.286 226 Q C -1.575 173.971 176.000 -0.756 0.000 1.007 226 Q CA -0.602 55.051 55.803 -0.249 0.000 0.801 226 Q CB 1.318 30.092 28.738 0.060 0.000 1.455 226 Q HN 0.159 nan 8.270 nan 0.000 0.398 227 F N -0.429 118.675 119.950 -1.409 0.000 2.741 227 F HA 0.551 5.079 4.527 0.002 0.000 0.311 227 F C -1.123 174.139 175.800 -0.896 0.000 1.149 227 F CA -0.228 56.928 58.000 -1.408 0.000 0.930 227 F CB 2.703 40.151 39.000 -2.586 0.000 1.312 227 F HN 0.581 nan 8.300 nan 0.000 0.450 228 T N 2.602 116.966 114.554 -0.316 0.000 2.812 228 T HA 0.648 4.999 4.350 0.002 0.000 0.282 228 T C -1.410 173.253 174.700 -0.062 0.000 0.990 228 T CA -0.558 61.506 62.100 -0.061 0.000 0.960 228 T CB 1.641 70.610 68.868 0.167 0.000 0.948 228 T HN 0.305 nan 8.240 nan 0.000 0.438 229 V N 3.975 123.812 119.914 -0.128 0.000 2.448 229 V HA 0.623 4.744 4.120 0.002 0.000 0.295 229 V C -0.056 176.107 176.094 0.115 0.000 1.025 229 V CA -0.817 61.401 62.300 -0.136 0.000 0.859 229 V CB 1.783 33.488 31.823 -0.196 0.000 0.988 229 V HN 0.701 nan 8.190 nan 0.000 0.431 230 R N 4.394 124.960 120.500 0.109 0.000 2.561 230 R HA 0.417 4.758 4.340 0.002 0.000 0.297 230 R C -0.104 176.348 176.300 0.253 0.000 0.969 230 R CA -0.520 55.761 56.100 0.301 0.000 0.879 230 R CB 0.891 31.490 30.300 0.499 0.000 1.178 230 R HN 0.800 nan 8.270 nan 0.000 0.445 231 N N 3.077 121.927 118.700 0.249 0.000 2.681 231 N HA -0.187 4.554 4.740 0.002 0.000 0.259 231 N C -2.082 173.521 175.510 0.156 0.000 1.066 231 N CA 0.420 53.582 53.050 0.188 0.000 0.717 231 N CB -0.642 37.938 38.487 0.157 0.000 0.885 231 N HN 0.409 nan 8.380 nan 0.000 0.547 232 L N 1.222 122.566 121.223 0.203 0.000 2.282 232 L HA 0.539 4.880 4.340 0.002 0.000 0.288 232 L C 0.430 177.318 176.870 0.030 0.000 1.033 232 L CA -0.118 54.794 54.840 0.119 0.000 0.807 232 L CB 1.716 43.940 42.059 0.274 0.000 1.209 232 L HN 0.265 nan 8.230 nan 0.000 0.423 233 T N 4.123 118.608 114.554 -0.115 0.000 2.779 233 T HA 0.604 4.955 4.350 0.002 0.000 0.280 233 T C -0.732 173.852 174.700 -0.193 0.000 0.987 233 T CA -0.161 61.900 62.100 -0.065 0.000 0.966 233 T CB 0.390 69.257 68.868 -0.002 0.000 0.933 233 T HN 0.075 nan 8.240 nan 0.000 0.442 234 F N 2.509 122.537 119.950 0.129 0.000 2.449 234 F HA 0.463 4.991 4.527 0.002 0.000 0.342 234 F C 0.465 176.288 175.800 0.038 0.000 1.127 234 F CA -1.002 57.040 58.000 0.069 0.000 0.975 234 F CB 1.240 40.175 39.000 -0.108 0.000 1.146 234 F HN 0.444 nan 8.300 nan 0.000 0.444 235 N N 3.547 122.360 118.700 0.188 0.000 2.407 235 N HA 0.333 5.074 4.740 0.002 0.000 0.277 235 N C -0.734 174.831 175.510 0.092 0.000 0.995 235 N CA -0.786 52.331 53.050 0.111 0.000 0.903 235 N CB 0.856 39.390 38.487 0.078 0.000 1.218 235 N HN 0.503 nan 8.380 nan 0.000 0.487 236 N N -0.505 118.229 118.700 0.057 0.000 2.776 236 N HA -0.184 4.557 4.740 0.002 0.000 0.250 236 N C -0.852 174.671 175.510 0.020 0.000 1.112 236 N CA 0.699 53.767 53.050 0.030 0.000 0.733 236 N CB -1.251 37.253 38.487 0.029 0.000 1.097 236 N HN 0.628 nan 8.380 nan 0.000 0.558 237 A N 0.205 123.034 122.820 0.015 0.000 2.302 237 A HA 0.470 4.791 4.320 0.002 0.000 0.285 237 A C 1.425 178.972 177.584 -0.062 0.000 1.105 237 A CA 0.162 52.184 52.037 -0.024 0.000 0.816 237 A CB 0.679 19.648 19.000 -0.051 0.000 1.067 237 A HN 0.226 nan 8.150 nan 0.000 0.489 238 N N 0.489 119.143 118.700 -0.077 0.000 2.062 238 N HA -0.068 4.673 4.740 0.002 0.000 0.191 238 N C 0.270 175.702 175.510 -0.131 0.000 1.042 238 N CA 2.083 55.079 53.050 -0.089 0.000 0.845 238 N CB -0.119 38.319 38.487 -0.080 0.000 1.024 238 N HN 0.541 nan 8.380 nan 0.000 0.424 239 T N 0.616 115.063 114.554 -0.178 0.000 2.770 239 T HA 0.637 4.988 4.350 0.002 0.000 0.283 239 T C 0.816 175.282 174.700 -0.390 0.000 0.988 239 T CA -0.183 61.758 62.100 -0.265 0.000 0.957 239 T CB 1.617 70.328 68.868 -0.262 0.000 0.930 239 T HN 0.341 nan 8.240 nan 0.000 0.443 240 A N 4.154 126.656 122.820 -0.531 0.000 1.841 240 A HA 0.139 4.461 4.320 0.002 0.000 0.216 240 A C 0.703 177.537 177.584 -1.250 0.000 1.199 240 A CA 1.172 52.622 52.037 -0.978 0.000 0.621 240 A CB -0.352 17.932 19.000 -1.193 0.000 0.835 240 A HN 0.764 nan 8.150 nan 0.000 0.445 241 I N -0.264 119.645 120.570 -1.101 0.000 2.447 241 I HA 0.205 4.376 4.170 0.002 0.000 0.287 241 I C -0.426 175.308 176.117 -0.639 0.000 1.023 241 I CA -0.260 60.450 61.300 -0.983 0.000 1.083 241 I CB 1.829 39.126 38.000 -1.172 0.000 1.245 241 I HN 0.372 nan 8.210 nan 0.000 0.434 242 N N 6.173 124.563 118.700 -0.517 0.000 2.546 242 N HA 0.540 5.281 4.740 0.002 0.000 0.238 242 N C -0.955 174.391 175.510 -0.273 0.000 0.984 242 N CA -0.316 52.536 53.050 -0.331 0.000 0.935 242 N CB 1.167 39.510 38.487 -0.241 0.000 1.122 242 N HN 0.693 nan 8.380 nan 0.000 0.510 243 A N 4.973 127.647 122.820 -0.242 0.000 2.253 243 A HA 0.299 4.620 4.320 0.002 0.000 0.316 243 A C 1.234 178.748 177.584 -0.118 0.000 1.327 243 A CA -0.785 51.124 52.037 -0.213 0.000 0.917 243 A CB -0.086 18.762 19.000 -0.253 0.000 1.162 243 A HN 0.837 nan 8.150 nan 0.000 0.535 244 I N 0.376 120.917 120.570 -0.049 0.000 2.867 244 I HA 0.351 4.522 4.170 0.002 0.000 0.265 244 I C 0.477 176.750 176.117 0.259 0.000 1.162 244 I CA -0.212 61.145 61.300 0.095 0.000 1.471 244 I CB 0.160 38.247 38.000 0.145 0.000 1.123 244 I HN 0.741 nan 8.210 nan 0.000 0.440 245 W N 2.870 124.183 121.300 0.022 0.000 3.146 245 W HA 0.574 5.236 4.660 0.002 0.000 0.319 245 W C -2.182 174.382 176.519 0.076 0.000 1.258 245 W CA -0.956 56.434 57.345 0.074 0.000 1.189 245 W CB 0.540 30.055 29.460 0.092 0.000 1.412 245 W HN 0.227 nan 8.180 nan 0.000 0.567 246 N N -0.774 118.113 118.700 0.313 0.000 3.355 246 N HA 0.281 5.022 4.740 0.002 0.000 0.238 246 N C -0.663 175.207 175.510 0.601 0.000 1.466 246 N CA -0.564 52.555 53.050 0.115 0.000 0.882 246 N CB 0.466 39.003 38.487 0.082 0.000 1.406 246 N HN 0.374 nan 8.380 nan 0.000 0.500 247 W N -0.135 121.405 121.300 0.400 0.000 2.574 247 W HA 0.566 5.227 4.660 0.002 0.000 0.282 247 W C 0.598 177.329 176.519 0.353 0.000 1.197 247 W CA 1.271 58.849 57.345 0.387 0.000 1.376 247 W CB -0.470 29.212 29.460 0.369 0.000 1.091 247 W HN 0.861 nan 8.180 nan 0.000 0.569 248 G N -1.297 107.861 108.800 0.596 0.000 2.658 248 G HA2 0.386 4.347 3.960 0.002 0.000 0.301 248 G HA3 0.386 4.347 3.960 0.002 0.000 0.301 248 G C -2.267 172.959 174.900 0.543 0.000 1.481 248 G CA -0.868 44.525 45.100 0.487 0.000 0.931 248 G HN -0.125 nan 8.290 nan 0.000 0.573 249 W N 0.144 121.524 121.300 0.134 0.000 2.902 249 W HA 0.787 5.448 4.660 0.001 0.000 0.346 249 W C -0.004 176.566 176.519 0.085 0.000 1.139 249 W CA -0.736 56.643 57.345 0.056 0.000 1.139 249 W CB 2.290 31.742 29.460 -0.013 0.000 1.439 249 W HN 0.489 nan 8.180 nan 0.000 0.558 250 T N 2.220 116.923 114.554 0.247 0.000 2.807 250 T HA 0.596 4.947 4.350 0.002 0.000 0.279 250 T C -1.393 173.431 174.700 0.208 0.000 0.993 250 T CA -0.408 61.879 62.100 0.312 0.000 0.970 250 T CB 0.477 69.540 68.868 0.325 0.000 0.950 250 T HN 0.013 nan 8.240 nan 0.000 0.441 251 F N 2.515 122.737 119.950 0.455 0.000 2.449 251 F HA 0.485 5.013 4.527 0.002 0.000 0.342 251 F C 0.418 176.469 175.800 0.417 0.000 1.127 251 F CA -0.805 57.469 58.000 0.456 0.000 0.975 251 F CB 1.767 41.086 39.000 0.531 0.000 1.146 251 F HN 0.319 nan 8.300 nan 0.000 0.444 252 Q N 3.267 123.364 119.800 0.496 0.000 2.340 252 Q HA 0.499 4.840 4.340 0.002 0.000 0.268 252 Q C -0.213 175.981 176.000 0.324 0.000 1.031 252 Q CA -1.061 54.961 55.803 0.366 0.000 0.804 252 Q CB 1.536 30.460 28.738 0.310 0.000 1.286 252 Q HN 0.665 nan 8.270 nan 0.000 0.448 253 R N 2.524 123.173 120.500 0.249 0.000 3.261 253 R HA -0.128 4.213 4.340 0.002 0.000 0.257 253 R C -1.314 175.137 176.300 0.252 0.000 1.014 253 R CA 0.348 56.568 56.100 0.200 0.000 0.681 253 R CB -1.600 28.793 30.300 0.155 0.000 1.155 253 R HN 0.534 nan 8.270 nan 0.000 0.424 254 I N 0.759 121.519 120.570 0.317 0.000 2.396 254 I HA 0.314 4.485 4.170 0.002 0.000 0.292 254 I C 0.721 176.992 176.117 0.257 0.000 0.999 254 I CA 0.026 61.545 61.300 0.366 0.000 1.310 254 I CB 1.578 39.893 38.000 0.526 0.000 1.404 254 I HN 0.208 nan 8.210 nan 0.000 0.496 255 T N 7.126 121.827 114.554 0.245 0.000 2.841 255 T HA 0.672 5.023 4.350 0.002 0.000 0.285 255 T C -0.108 174.725 174.700 0.222 0.000 0.991 255 T CA -0.331 61.870 62.100 0.170 0.000 0.966 255 T CB 1.538 70.473 68.868 0.112 0.000 0.962 255 T HN 0.280 nan 8.240 nan 0.000 0.438 256 I N 3.591 124.253 120.570 0.153 0.000 2.447 256 I HA 0.406 4.577 4.170 0.002 0.000 0.287 256 I C -0.594 175.568 176.117 0.076 0.000 1.023 256 I CA -0.793 60.593 61.300 0.143 0.000 1.083 256 I CB 1.769 39.831 38.000 0.104 0.000 1.245 256 I HN 0.575 nan 8.210 nan 0.000 0.434 257 N N 6.361 125.108 118.700 0.079 0.000 2.448 257 N HA 0.362 5.103 4.740 0.002 0.000 0.279 257 N C -0.866 174.665 175.510 0.035 0.000 1.025 257 N CA -0.736 52.342 53.050 0.045 0.000 0.898 257 N CB 1.036 39.550 38.487 0.045 0.000 1.303 257 N HN 0.502 nan 8.380 nan 0.000 0.495 258 N N 0.518 119.228 118.700 0.017 0.000 2.780 258 N HA -0.145 4.596 4.740 0.002 0.000 0.247 258 N C -1.212 174.298 175.510 0.001 0.000 1.076 258 N CA 0.547 53.602 53.050 0.007 0.000 0.688 258 N CB -1.471 37.022 38.487 0.010 0.000 0.957 258 N HN 0.415 nan 8.380 nan 0.000 0.551 259 C N 0.027 119.322 119.300 -0.010 0.000 2.562 259 C HA 0.338 4.799 4.460 0.002 0.000 0.332 259 C C 1.921 176.886 174.990 -0.042 0.000 1.201 259 C CA -0.803 58.193 59.018 -0.036 0.000 1.803 259 C CB 2.237 29.935 27.740 -0.069 0.000 2.328 259 C HN 0.345 nan 8.230 nan 0.000 0.500 260 Q N 0.379 120.144 119.800 -0.058 0.000 2.049 260 Q HA 0.070 4.411 4.340 0.002 0.000 0.198 260 Q C 0.141 176.103 176.000 -0.063 0.000 0.971 260 Q CA 1.308 57.078 55.803 -0.054 0.000 0.833 260 Q CB -0.044 28.660 28.738 -0.058 0.000 0.896 260 Q HN 0.620 nan 8.270 nan 0.000 0.434 261 V N -0.270 119.584 119.914 -0.100 0.000 2.638 261 V HA 0.423 4.544 4.120 0.002 0.000 0.306 261 V C 0.879 176.866 176.094 -0.179 0.000 1.052 261 V CA -0.104 62.124 62.300 -0.120 0.000 0.885 261 V CB 1.639 33.376 31.823 -0.142 0.000 0.999 261 V HN 0.322 nan 8.190 nan 0.000 0.424 262 G N 3.393 112.112 108.800 -0.135 0.000 2.547 262 G HA2 -0.006 3.955 3.960 0.002 0.000 0.214 262 G HA3 -0.006 3.955 3.960 0.002 0.000 0.214 262 G C 0.082 174.675 174.900 -0.512 0.000 1.254 262 G CA 0.687 45.652 45.100 -0.225 0.000 0.817 262 G HN 0.443 nan 8.290 nan 0.000 0.551 263 F N 0.863 120.521 119.950 -0.487 0.000 2.388 263 F HA 0.406 4.933 4.527 0.002 0.000 0.358 263 F C -0.702 174.791 175.800 -0.511 0.000 1.122 263 F CA -0.883 56.768 58.000 -0.581 0.000 1.056 263 F CB 2.011 40.572 39.000 -0.732 0.000 1.155 263 F HN -0.019 nan 8.300 nan 0.000 0.461 264 D N 5.332 125.545 120.400 -0.312 0.000 2.473 264 D HA 0.345 4.986 4.640 0.002 0.000 0.226 264 D C -0.875 175.258 176.300 -0.277 0.000 1.089 264 D CA -0.126 53.714 54.000 -0.267 0.000 0.883 264 D CB 0.595 41.263 40.800 -0.222 0.000 1.029 264 D HN 0.363 nan 8.370 nan 0.000 0.517 265 L N 2.785 123.781 121.223 -0.377 0.000 2.282 265 L HA 0.394 4.735 4.340 0.002 0.000 0.288 265 L C 0.566 177.357 176.870 -0.133 0.000 1.033 265 L CA -0.694 53.877 54.840 -0.449 0.000 0.807 265 L CB 1.620 42.962 42.059 -1.195 0.000 1.209 265 L HN 0.132 nan 8.230 nan 0.000 0.423 266 T N 2.855 117.416 114.554 0.012 0.000 2.761 266 T HA 0.092 4.443 4.350 0.002 0.000 0.296 266 T C 0.019 174.926 174.700 0.344 0.000 0.934 266 T CA -0.166 62.031 62.100 0.161 0.000 1.091 266 T CB 0.865 69.810 68.868 0.128 0.000 0.896 266 T HN 0.480 nan 8.240 nan 0.000 0.515 267 Q N 2.490 122.527 119.800 0.394 0.000 2.288 267 Q HA 0.462 4.803 4.340 0.002 0.000 0.258 267 Q C 0.440 176.563 176.000 0.206 0.000 0.957 267 Q CA -0.476 55.534 55.803 0.345 0.000 0.919 267 Q CB 0.695 29.559 28.738 0.209 0.000 1.185 267 Q HN 0.885 nan 8.270 nan 0.000 0.408 268 G N 2.087 111.003 108.800 0.193 0.000 2.736 268 G HA2 0.623 4.584 3.960 0.002 0.000 0.229 268 G HA3 0.623 4.584 3.960 0.002 0.000 0.229 268 G C -0.276 174.683 174.900 0.098 0.000 1.380 268 G CA -0.232 44.955 45.100 0.144 0.000 1.040 268 G HN 0.708 nan 8.290 nan 0.000 0.568 269 G N -2.082 106.773 108.800 0.092 0.000 2.535 269 G HA2 0.422 4.383 3.960 0.002 0.000 0.303 269 G HA3 0.422 4.383 3.960 0.002 0.000 0.303 269 G C 0.939 175.887 174.900 0.079 0.000 1.237 269 G CA 0.704 45.847 45.100 0.071 0.000 0.986 269 G HN 0.926 nan 8.290 nan 0.000 0.494 270 T N -3.000 111.592 114.554 0.064 0.000 3.060 270 T HA 0.209 4.560 4.350 0.002 0.000 0.249 270 T C 1.281 175.999 174.700 0.030 0.000 1.079 270 T CA 0.622 62.757 62.100 0.058 0.000 1.013 270 T CB 0.031 68.939 68.868 0.066 0.000 0.975 270 T HN 0.603 nan 8.240 nan 0.000 0.518 271 S N 2.396 118.111 115.700 0.025 0.000 2.586 271 S HA 0.243 4.714 4.470 0.002 0.000 0.274 271 S C 1.293 175.896 174.600 0.006 0.000 1.281 271 S CA -0.608 57.591 58.200 -0.002 0.000 1.035 271 S CB 0.661 63.860 63.200 -0.002 0.000 0.962 271 S HN 0.458 nan 8.310 nan 0.000 0.512 272 N N 2.300 120.976 118.700 -0.039 0.000 2.467 272 N HA -0.069 4.672 4.740 0.002 0.000 0.184 272 N C 0.953 176.476 175.510 0.021 0.000 1.106 272 N CA 1.009 54.028 53.050 -0.053 0.000 0.892 272 N CB -0.574 37.777 38.487 -0.227 0.000 0.969 272 N HN 0.703 nan 8.380 nan 0.000 0.454 273 T N -4.721 109.843 114.554 0.016 0.000 3.044 273 T HA 0.404 4.755 4.350 0.002 0.000 0.260 273 T C 0.897 175.620 174.700 0.039 0.000 1.019 273 T CA -0.224 61.895 62.100 0.032 0.000 0.921 273 T CB 0.195 69.067 68.868 0.005 0.000 1.053 273 T HN 0.157 nan 8.240 nan 0.000 0.533 274 G N 1.059 109.886 108.800 0.046 0.000 2.568 274 G HA2 0.622 4.583 3.960 0.002 0.000 0.293 274 G HA3 0.622 4.583 3.960 0.002 0.000 0.293 274 G C -0.098 174.835 174.900 0.055 0.000 1.347 274 G CA -0.673 44.453 45.100 0.044 0.000 1.039 274 G HN 0.571 nan 8.290 nan 0.000 0.523 275 A N -0.579 122.272 122.820 0.052 0.000 2.520 275 A HA 0.460 4.781 4.320 0.002 0.000 0.245 275 A C 0.302 177.939 177.584 0.088 0.000 1.072 275 A CA 0.173 52.243 52.037 0.056 0.000 0.761 275 A CB 0.459 19.492 19.000 0.056 0.000 1.004 275 A HN 0.536 nan 8.150 nan 0.000 0.499 276 Q N 2.025 121.874 119.800 0.082 0.000 2.303 276 Q HA 0.551 4.892 4.340 0.002 0.000 0.257 276 Q C 0.324 176.454 176.000 0.218 0.000 0.941 276 Q CA 0.579 56.472 55.803 0.150 0.000 0.931 276 Q CB 1.158 29.946 28.738 0.082 0.000 1.215 276 Q HN 0.854 nan 8.270 nan 0.000 0.437 277 G N 1.584 110.553 108.800 0.283 0.000 2.857 277 G HA2 0.431 4.392 3.960 0.002 0.000 0.217 277 G HA3 0.431 4.392 3.960 0.002 0.000 0.217 277 G C -1.039 174.106 174.900 0.408 0.000 1.357 277 G CA -0.672 44.621 45.100 0.321 0.000 1.033 277 G HN 0.492 nan 8.290 nan 0.000 0.571 278 V N 1.579 121.716 119.914 0.373 0.000 2.415 278 V HA 0.310 4.431 4.120 0.002 0.000 0.267 278 V C 1.625 177.991 176.094 0.454 0.000 1.042 278 V CA 0.669 63.180 62.300 0.352 0.000 1.000 278 V CB 0.411 32.347 31.823 0.188 0.000 1.015 278 V HN 0.892 nan 8.190 nan 0.000 0.478 279 G N 4.033 113.091 108.800 0.431 0.000 2.394 279 G HA2 0.293 4.254 3.960 0.002 0.000 0.214 279 G HA3 0.293 4.254 3.960 0.002 0.000 0.214 279 G C 0.483 175.607 174.900 0.372 0.000 1.176 279 G CA 0.811 46.146 45.100 0.391 0.000 0.786 279 G HN 0.999 nan 8.290 nan 0.000 0.533 280 A N -0.206 122.836 122.820 0.371 0.000 2.465 280 A HA 0.652 4.973 4.320 0.002 0.000 0.292 280 A C -1.363 176.394 177.584 0.288 0.000 1.041 280 A CA -0.607 51.621 52.037 0.319 0.000 0.718 280 A CB 1.607 20.767 19.000 0.266 0.000 1.266 280 A HN 0.039 nan 8.150 nan 0.000 0.403 281 E N 0.912 121.256 120.200 0.241 0.000 2.187 281 E HA 0.652 5.003 4.350 0.002 0.000 0.268 281 E C -0.661 176.031 176.600 0.153 0.000 0.896 281 E CA -0.523 55.994 56.400 0.196 0.000 0.766 281 E CB 2.271 31.963 29.700 -0.014 0.000 1.142 281 E HN 0.866 nan 8.360 nan 0.000 0.408 282 A N 4.137 127.069 122.820 0.185 0.000 2.304 282 A HA 0.704 5.025 4.320 0.002 0.000 0.314 282 A C -0.475 177.364 177.584 0.424 0.000 1.187 282 A CA -0.636 51.431 52.037 0.050 0.000 0.810 282 A CB 0.359 19.066 19.000 -0.488 0.000 1.183 282 A HN 0.559 nan 8.150 nan 0.000 0.487 283 I N 3.361 124.237 120.570 0.510 0.000 2.447 283 I HA 0.474 4.645 4.170 0.002 0.000 0.287 283 I C -0.770 175.657 176.117 0.516 0.000 1.023 283 I CA -0.353 61.254 61.300 0.511 0.000 1.083 283 I CB 1.791 39.896 38.000 0.176 0.000 1.245 283 I HN 0.665 nan 8.210 nan 0.000 0.434 284 I N 5.793 126.589 120.570 0.377 0.000 2.498 284 I HA 0.380 4.551 4.170 0.002 0.000 0.290 284 I C -1.082 175.078 176.117 0.072 0.000 1.032 284 I CA -0.107 61.211 61.300 0.030 0.000 1.073 284 I CB 1.254 38.968 38.000 -0.477 0.000 1.251 284 I HN 0.609 nan 8.210 nan 0.000 0.426 285 D N 5.401 125.815 120.400 0.023 0.000 3.133 285 D HA -0.162 4.479 4.640 0.002 0.000 0.239 285 D C -0.563 175.791 176.300 0.090 0.000 1.136 285 D CA 1.012 55.032 54.000 0.033 0.000 0.898 285 D CB -0.722 40.086 40.800 0.012 0.000 0.959 285 D HN 0.652 nan 8.370 nan 0.000 0.415 286 A N 0.282 123.140 122.820 0.064 0.000 2.320 286 A HA 0.756 5.077 4.320 0.002 0.000 0.334 286 A C 0.021 177.579 177.584 -0.044 0.000 1.147 286 A CA -0.584 51.486 52.037 0.054 0.000 0.820 286 A CB 1.838 20.860 19.000 0.036 0.000 1.218 286 A HN 0.181 nan 8.150 nan 0.000 0.482 287 V N 2.159 122.059 119.914 -0.023 0.000 2.444 287 V HA 0.520 4.641 4.120 0.002 0.000 0.294 287 V C -0.710 175.340 176.094 -0.072 0.000 1.022 287 V CA -0.396 61.870 62.300 -0.058 0.000 0.850 287 V CB 1.419 33.235 31.823 -0.012 0.000 0.992 287 V HN 0.684 nan 8.190 nan 0.000 0.426 288 V N 3.322 123.148 119.914 -0.146 0.000 2.588 288 V HA 0.700 4.821 4.120 0.002 0.000 0.304 288 V C -0.155 175.886 176.094 -0.088 0.000 1.042 288 V CA -0.343 61.874 62.300 -0.138 0.000 0.877 288 V CB 2.129 33.767 31.823 -0.309 0.000 0.996 288 V HN 0.846 nan 8.190 nan 0.000 0.425 289 T N 3.485 118.016 114.554 -0.038 0.000 2.971 289 T HA 0.408 4.759 4.350 0.002 0.000 0.304 289 T C -0.033 174.661 174.700 -0.011 0.000 1.038 289 T CA -0.447 61.639 62.100 -0.023 0.000 1.007 289 T CB 0.870 69.732 68.868 -0.010 0.000 1.055 289 T HN 0.782 nan 8.240 nan 0.000 0.451 290 N N 1.834 120.527 118.700 -0.013 0.000 2.705 290 N HA -0.133 4.609 4.740 0.002 0.000 0.255 290 N C -0.640 174.867 175.510 -0.005 0.000 1.008 290 N CA 1.013 54.058 53.050 -0.008 0.000 0.742 290 N CB -0.797 37.687 38.487 -0.005 0.000 0.906 290 N HN 0.565 nan 8.380 nan 0.000 0.541 291 T N -0.098 114.454 114.554 -0.003 0.000 2.848 291 T HA 0.238 4.589 4.350 0.002 0.000 0.285 291 T C 1.354 176.057 174.700 0.005 0.000 0.995 291 T CA -0.561 61.541 62.100 0.003 0.000 0.970 291 T CB 2.640 71.520 68.868 0.020 0.000 0.976 291 T HN 0.157 nan 8.240 nan 0.000 0.441 292 Q N 2.752 122.550 119.800 -0.003 0.000 1.993 292 Q HA -0.024 4.317 4.340 0.002 0.000 0.202 292 Q C 0.308 176.312 176.000 0.007 0.000 0.984 292 Q CA 1.732 57.533 55.803 -0.003 0.000 0.837 292 Q CB 0.027 28.757 28.738 -0.013 0.000 0.902 292 Q HN 0.668 nan 8.270 nan 0.000 0.423 293 T N 0.575 115.134 114.554 0.008 0.000 2.841 293 T HA 0.260 4.611 4.350 0.002 0.000 0.285 293 T C -0.192 174.545 174.700 0.062 0.000 0.991 293 T CA -0.517 61.593 62.100 0.017 0.000 0.966 293 T CB 1.022 69.876 68.868 -0.024 0.000 0.962 293 T HN 0.226 nan 8.240 nan 0.000 0.438 294 F N 4.224 124.133 119.950 -0.070 0.000 2.094 294 F HA 0.323 4.851 4.527 0.002 0.000 0.291 294 F C 0.323 176.098 175.800 -0.042 0.000 1.109 294 F CA 0.737 58.706 58.000 -0.052 0.000 1.221 294 F CB 0.062 39.025 39.000 -0.061 0.000 1.014 294 F HN 0.304 nan 8.300 nan 0.000 0.473 295 V N 2.249 121.887 119.914 -0.459 0.000 2.487 295 V HA 0.430 4.551 4.120 0.002 0.000 0.298 295 V C -0.618 175.281 176.094 -0.325 0.000 1.028 295 V CA -0.794 61.158 62.300 -0.580 0.000 0.860 295 V CB 1.656 32.982 31.823 -0.829 0.000 0.991 295 V HN 0.182 nan 8.190 nan 0.000 0.427 296 R N 3.420 123.734 120.500 -0.311 0.000 2.439 296 R HA 0.444 4.785 4.340 0.002 0.000 0.310 296 R C -1.732 174.442 176.300 -0.209 0.000 0.955 296 R CA -0.511 55.486 56.100 -0.172 0.000 0.853 296 R CB 1.248 31.481 30.300 -0.112 0.000 1.171 296 R HN 0.673 nan 8.270 nan 0.000 0.449 297 W N 2.532 123.805 121.300 -0.046 0.000 2.365 297 W HA 0.143 4.804 4.660 0.002 0.000 0.316 297 W C 1.534 178.047 176.519 -0.010 0.000 1.164 297 W CA -0.366 56.967 57.345 -0.019 0.000 1.204 297 W CB 1.931 31.394 29.460 0.005 0.000 1.213 297 W HN 0.720 nan 8.180 nan 0.000 0.539 298 S N 1.677 117.548 115.700 0.285 0.000 2.442 298 S HA 0.113 4.585 4.470 0.002 0.000 0.236 298 S C 0.707 175.394 174.600 0.144 0.000 1.007 298 S CA 0.698 58.997 58.200 0.164 0.000 0.965 298 S CB -0.222 63.058 63.200 0.134 0.000 0.773 298 S HN 0.540 nan 8.310 nan 0.000 0.504 299 G N -0.459 108.442 108.800 0.169 0.000 2.690 299 G HA2 0.686 4.647 3.960 0.002 0.000 0.291 299 G HA3 0.686 4.647 3.960 0.002 0.000 0.291 299 G C -1.084 173.838 174.900 0.037 0.000 1.403 299 G CA -0.535 44.613 45.100 0.081 0.000 0.864 299 G HN 0.527 nan 8.290 nan 0.000 0.480 300 A N 0.078 122.895 122.820 -0.005 0.000 2.279 300 A HA 0.790 5.111 4.320 0.002 0.000 0.303 300 A C 0.504 178.015 177.584 -0.122 0.000 1.108 300 A CA -0.299 51.714 52.037 -0.040 0.000 0.830 300 A CB 0.868 19.863 19.000 -0.009 0.000 1.106 300 A HN 0.814 nan 8.150 nan 0.000 0.493 301 S N 0.604 116.214 115.700 -0.150 0.000 2.554 301 S HA 0.442 4.913 4.470 0.002 0.000 0.278 301 S C 0.478 174.945 174.600 -0.221 0.000 1.242 301 S CA -0.103 57.952 58.200 -0.243 0.000 1.051 301 S CB 1.038 64.150 63.200 -0.146 0.000 0.986 301 S HN 1.009 nan 8.310 nan 0.000 0.502 302 S N 1.257 116.739 115.700 -0.363 0.000 2.222 302 S HA 0.544 5.015 4.470 0.002 0.000 0.173 302 S C 0.934 175.364 174.600 -0.284 0.000 1.466 302 S CA -0.211 57.858 58.200 -0.219 0.000 1.184 302 S CB -0.078 63.065 63.200 -0.096 0.000 1.168 302 S HN 1.359 nan 8.310 nan 0.000 0.475 303 G N 1.536 110.067 108.800 -0.448 0.000 2.162 303 G HA2 -0.223 3.738 3.960 0.002 0.000 0.260 303 G HA3 -0.223 3.738 3.960 0.002 0.000 0.260 303 G C -0.020 174.310 174.900 -0.950 0.000 0.976 303 G CA 0.390 45.170 45.100 -0.533 0.000 0.655 303 G HN 1.309 nan 8.290 nan 0.000 0.533 304 H N -2.200 116.123 119.070 -1.245 0.000 3.016 304 H HA 0.616 5.173 4.556 0.002 0.000 0.362 304 H C -0.384 174.497 175.328 -0.746 0.000 1.233 304 H CA -1.203 54.270 56.048 -0.958 0.000 1.124 304 H CB 1.121 30.644 29.762 -0.398 0.000 1.850 304 H HN 0.523 nan 8.280 nan 0.000 0.549 305 L N 1.454 122.573 121.223 -0.174 0.000 2.559 305 L HA 0.089 4.430 4.340 0.002 0.000 0.274 305 L C 0.149 176.981 176.870 -0.062 0.000 1.205 305 L CA 0.975 55.860 54.840 0.076 0.000 0.907 305 L CB 0.037 42.201 42.059 0.175 0.000 1.153 305 L HN 0.800 nan 8.230 nan 0.000 0.490 306 Q N 4.561 124.279 119.800 -0.137 0.000 3.891 306 Q HA 0.485 4.827 4.340 0.002 0.000 0.190 306 Q C -0.631 175.217 176.000 -0.254 0.000 0.886 306 Q CA 0.059 55.773 55.803 -0.148 0.000 0.747 306 Q CB 0.501 29.102 28.738 -0.229 0.000 1.476 306 Q HN 1.149 nan 8.270 nan 0.000 0.452 307 G N 1.557 110.271 108.800 -0.143 0.000 3.445 307 G HA2 -0.152 3.809 3.960 0.002 0.000 0.686 307 G HA3 -0.152 3.809 3.960 0.002 0.000 0.686 307 G C -0.842 173.976 174.900 -0.136 0.000 1.113 307 G CA -0.141 44.829 45.100 -0.217 0.000 0.974 307 G HN 0.429 nan 8.290 nan 0.000 0.492 308 S N 1.064 116.877 115.700 0.188 0.000 2.489 308 S HA 0.843 5.314 4.470 0.002 0.000 0.291 308 S C -0.216 174.607 174.600 0.371 0.000 1.151 308 S CA -0.624 57.701 58.200 0.210 0.000 1.082 308 S CB 1.478 64.780 63.200 0.171 0.000 1.019 308 S HN 1.766 nan 8.310 nan 0.000 0.492 309 L N 5.247 126.670 121.223 0.333 0.000 2.408 309 L HA 0.779 5.120 4.340 0.002 0.000 0.268 309 L C -1.482 175.550 176.870 0.269 0.000 0.986 309 L CA -0.446 54.601 54.840 0.345 0.000 0.820 309 L CB 2.076 44.435 42.059 0.501 0.000 1.303 309 L HN 0.545 nan 8.230 nan 0.000 0.411 310 V N 5.565 125.611 119.914 0.221 0.000 2.656 310 V HA 0.555 4.676 4.120 0.002 0.000 0.307 310 V C -0.581 175.705 176.094 0.320 0.000 1.051 310 V CA -0.578 61.870 62.300 0.247 0.000 0.893 310 V CB 1.942 33.847 31.823 0.137 0.000 0.999 310 V HN 0.593 nan 8.190 nan 0.000 0.426 311 L N 4.481 125.937 121.223 0.388 0.000 2.356 311 L HA 0.606 4.947 4.340 0.002 0.000 0.277 311 L C -0.321 176.730 176.870 0.301 0.000 0.996 311 L CA -0.287 54.766 54.840 0.356 0.000 0.822 311 L CB 1.745 44.007 42.059 0.338 0.000 1.256 311 L HN 0.686 nan 8.230 nan 0.000 0.413 312 N N 3.090 121.935 118.700 0.241 0.000 2.461 312 N HA 0.159 4.900 4.740 0.002 0.000 0.284 312 N C -0.655 174.872 175.510 0.028 0.000 1.049 312 N CA -0.408 52.691 53.050 0.082 0.000 0.889 312 N CB 1.027 39.466 38.487 -0.081 0.000 1.365 312 N HN 0.691 nan 8.380 nan 0.000 0.499 313 N N 3.464 122.179 118.700 0.024 0.000 2.663 313 N HA -0.140 4.601 4.740 0.002 0.000 0.263 313 N C -1.638 173.867 175.510 -0.010 0.000 1.109 313 N CA 0.378 53.428 53.050 -0.000 0.000 0.701 313 N CB -0.871 37.601 38.487 -0.024 0.000 0.879 313 N HN 0.471 nan 8.380 nan 0.000 0.550 314 I N 1.487 122.044 120.570 -0.023 0.000 2.330 314 I HA 0.204 4.375 4.170 0.002 0.000 0.286 314 I C 0.732 176.770 176.117 -0.131 0.000 1.025 314 I CA -0.176 61.059 61.300 -0.107 0.000 1.197 314 I CB 1.163 39.077 38.000 -0.143 0.000 1.358 314 I HN 0.391 nan 8.210 nan 0.000 0.467 315 Q N 6.321 126.043 119.800 -0.130 0.000 2.307 315 Q HA 0.461 4.802 4.340 0.002 0.000 0.259 315 Q C -1.026 174.881 176.000 -0.155 0.000 0.998 315 Q CA -0.336 55.401 55.803 -0.111 0.000 0.923 315 Q CB 1.327 30.021 28.738 -0.074 0.000 1.196 315 Q HN 0.523 nan 8.270 nan 0.000 0.416 316 L N 2.611 123.754 121.223 -0.135 0.000 2.313 316 L HA 0.489 4.830 4.340 0.002 0.000 0.283 316 L C -0.185 176.638 176.870 -0.078 0.000 1.013 316 L CA -0.594 54.166 54.840 -0.132 0.000 0.816 316 L CB 1.882 43.860 42.059 -0.135 0.000 1.236 316 L HN 0.405 nan 8.230 nan 0.000 0.419 317 T N 2.497 117.011 114.554 -0.065 0.000 2.864 317 T HA 0.282 4.633 4.350 0.002 0.000 0.310 317 T C 0.184 174.863 174.700 -0.035 0.000 1.040 317 T CA -0.360 61.715 62.100 -0.041 0.000 0.977 317 T CB 0.306 69.155 68.868 -0.031 0.000 0.976 317 T HN 0.649 nan 8.240 nan 0.000 0.459 318 N N 1.806 120.489 118.700 -0.028 0.000 2.814 318 N HA -0.126 4.615 4.740 0.002 0.000 0.247 318 N C -0.815 174.684 175.510 -0.019 0.000 1.089 318 N CA 0.252 53.290 53.050 -0.020 0.000 0.682 318 N CB -0.753 37.725 38.487 -0.016 0.000 0.970 318 N HN 0.432 nan 8.380 nan 0.000 0.554 319 V N 1.601 121.501 119.914 -0.024 0.000 2.284 319 V HA 0.209 4.330 4.120 0.002 0.000 0.274 319 V C -1.226 174.864 176.094 -0.007 0.000 1.023 319 V CA -1.159 61.133 62.300 -0.013 0.000 0.808 319 V CB 1.640 33.449 31.823 -0.023 0.000 1.035 319 V HN -0.001 nan 8.190 nan 0.000 0.445 320 P HA -0.114 nan 4.420 nan 0.000 0.214 320 P C 0.519 177.818 177.300 -0.001 0.000 1.163 320 P CA 1.317 64.416 63.100 -0.002 0.000 0.889 320 P CB 0.270 31.969 31.700 -0.001 0.000 0.790 321 V N -0.042 119.875 119.914 0.005 0.000 2.328 321 V HA 0.423 4.544 4.120 0.002 0.000 0.278 321 V C 1.430 177.535 176.094 0.019 0.000 1.021 321 V CA -0.071 62.230 62.300 0.003 0.000 0.838 321 V CB 0.480 32.304 31.823 0.002 0.000 0.999 321 V HN 0.049 nan 8.190 nan 0.000 0.447 322 A N 5.112 127.929 122.820 -0.005 0.000 1.858 322 A HA 0.098 4.419 4.320 0.002 0.000 0.216 322 A C 0.869 178.427 177.584 -0.044 0.000 1.190 322 A CA 1.342 53.394 52.037 0.024 0.000 0.617 322 A CB 0.070 19.019 19.000 -0.084 0.000 0.827 322 A HN 0.634 nan 8.150 nan 0.000 0.443 323 V N -1.001 118.822 119.914 -0.151 0.000 2.525 323 V HA 0.664 4.785 4.120 0.002 0.000 0.299 323 V C 0.143 176.220 176.094 -0.027 0.000 1.034 323 V CA -0.019 62.186 62.300 -0.158 0.000 0.863 323 V CB 1.147 32.767 31.823 -0.339 0.000 0.999 323 V HN 0.680 nan 8.190 nan 0.000 0.423 324 G N 2.667 111.480 108.800 0.023 0.000 2.694 324 G HA2 0.702 4.664 3.960 0.002 0.000 0.290 324 G HA3 0.702 4.664 3.960 0.002 0.000 0.290 324 G C -1.694 173.276 174.900 0.117 0.000 1.386 324 G CA -0.645 44.493 45.100 0.063 0.000 0.872 324 G HN 0.498 nan 8.290 nan 0.000 0.475 325 V N 0.608 120.586 119.914 0.107 0.000 2.483 325 V HA 0.421 4.542 4.120 0.002 0.000 0.295 325 V C 0.472 176.612 176.094 0.077 0.000 1.035 325 V CA -0.941 61.434 62.300 0.124 0.000 0.896 325 V CB 1.677 33.561 31.823 0.102 0.000 0.986 325 V HN 0.783 nan 8.190 nan 0.000 0.447 326 K N 3.105 123.551 120.400 0.075 0.000 2.412 326 K HA 0.309 4.630 4.320 0.002 0.000 0.284 326 K C 1.011 177.633 176.600 0.035 0.000 1.046 326 K CA 0.889 57.201 56.287 0.041 0.000 0.999 326 K CB 0.098 32.620 32.500 0.035 0.000 0.941 326 K HN 1.150 nan 8.250 nan 0.000 0.474 327 G N 2.774 111.588 108.800 0.023 0.000 2.305 327 G HA2 -0.232 3.729 3.960 0.002 0.000 0.287 327 G HA3 -0.232 3.729 3.960 0.002 0.000 0.287 327 G C 0.191 175.106 174.900 0.025 0.000 1.036 327 G CA 0.314 45.425 45.100 0.020 0.000 0.887 327 G HN 1.017 nan 8.290 nan 0.000 0.505 328 G N -0.971 107.847 108.800 0.031 0.000 2.782 328 G HA2 0.844 4.805 3.960 0.002 0.000 0.304 328 G HA3 0.844 4.805 3.960 0.002 0.000 0.304 328 G C -2.728 172.195 174.900 0.037 0.000 1.315 328 G CA -0.079 45.042 45.100 0.035 0.000 0.791 328 G HN 0.349 nan 8.290 nan 0.000 0.519 329 P HA 0.344 nan 4.420 nan 0.000 0.276 329 P C -0.258 177.073 177.300 0.051 0.000 1.261 329 P CA -0.051 63.075 63.100 0.044 0.000 0.800 329 P CB 0.651 32.380 31.700 0.048 0.000 1.066 330 T N 0.496 115.076 114.554 0.044 0.000 2.851 330 T HA 0.148 4.499 4.350 0.002 0.000 0.298 330 T C 1.445 176.185 174.700 0.066 0.000 0.977 330 T CA -0.277 61.849 62.100 0.044 0.000 1.126 330 T CB 0.521 69.407 68.868 0.029 0.000 0.916 330 T HN 0.073 nan 8.240 nan 0.000 0.529 331 V N 3.066 123.028 119.914 0.080 0.000 2.795 331 V HA 0.285 4.406 4.120 0.002 0.000 0.243 331 V C 0.216 176.391 176.094 0.136 0.000 1.069 331 V CA 0.376 62.761 62.300 0.142 0.000 1.089 331 V CB 0.066 32.016 31.823 0.212 0.000 0.756 331 V HN 0.580 nan 8.190 nan 0.000 0.471 332 L N 0.502 121.728 121.223 0.005 0.000 2.439 332 L HA 0.818 5.159 4.340 0.002 0.000 0.270 332 L C -0.194 176.631 176.870 -0.074 0.000 0.972 332 L CA -0.566 54.228 54.840 -0.078 0.000 0.836 332 L CB 1.297 43.093 42.059 -0.439 0.000 1.255 332 L HN 0.055 nan 8.230 nan 0.000 0.404 333 A N 3.124 125.927 122.820 -0.027 0.000 2.388 333 A HA 0.700 5.021 4.320 0.002 0.000 0.257 333 A C 0.527 178.090 177.584 -0.036 0.000 1.095 333 A CA 0.412 52.438 52.037 -0.018 0.000 0.791 333 A CB 0.378 19.381 19.000 0.004 0.000 1.029 333 A HN 0.973 nan 8.150 nan 0.000 0.489 334 G N -0.070 108.715 108.800 -0.026 0.000 3.271 334 G HA2 0.725 4.686 3.960 0.002 0.000 0.174 334 G HA3 0.725 4.686 3.960 0.002 0.000 0.174 334 G C 0.597 175.484 174.900 -0.023 0.000 1.385 334 G CA 0.079 45.160 45.100 -0.031 0.000 0.979 334 G HN 2.189 nan 8.290 nan 0.000 0.610 335 G N -1.935 106.851 108.800 -0.023 0.000 2.317 335 G HA2 0.207 4.168 3.960 0.002 0.000 0.196 335 G HA3 0.207 4.168 3.960 0.002 0.000 0.196 335 G C -0.586 174.298 174.900 -0.027 0.000 1.255 335 G CA 0.262 45.351 45.100 -0.019 0.000 1.243 335 G HN 1.165 nan 8.290 nan 0.000 0.535 336 T N 1.160 115.700 114.554 -0.023 0.000 2.842 336 T HA 0.725 5.076 4.350 0.002 0.000 0.308 336 T C -0.330 174.356 174.700 -0.024 0.000 1.041 336 T CA 0.656 62.741 62.100 -0.026 0.000 0.964 336 T CB 1.176 70.033 68.868 -0.019 0.000 0.972 336 T HN 1.112 nan 8.240 nan 0.000 0.460 337 T N 1.664 116.198 114.554 -0.033 0.000 2.686 337 T HA 0.501 4.852 4.350 0.002 0.000 0.308 337 T C -1.530 173.147 174.700 -0.039 0.000 1.667 337 T CA -0.416 61.668 62.100 -0.027 0.000 0.987 337 T CB 1.625 70.482 68.868 -0.019 0.000 1.652 337 T HN 0.380 nan 8.240 nan 0.000 0.496 338 T N 2.322 116.860 114.554 -0.026 0.000 2.812 338 T HA 0.590 4.941 4.350 0.002 0.000 0.282 338 T C -0.249 174.444 174.700 -0.011 0.000 0.990 338 T CA -0.394 61.688 62.100 -0.029 0.000 0.960 338 T CB 0.476 69.334 68.868 -0.017 0.000 0.948 338 T HN 0.474 nan 8.240 nan 0.000 0.438 339 I N 3.952 124.513 120.570 -0.015 0.000 2.396 339 I HA 0.170 4.341 4.170 0.002 0.000 0.289 339 I C 1.596 177.746 176.117 0.055 0.000 1.056 339 I CA -0.466 60.850 61.300 0.027 0.000 1.365 339 I CB 0.675 38.684 38.000 0.015 0.000 1.407 339 I HN 0.605 nan 8.210 nan 0.000 0.509 340 N N 3.906 122.651 118.700 0.075 0.000 2.124 340 N HA -0.009 4.732 4.740 0.002 0.000 0.189 340 N C -0.142 175.423 175.510 0.091 0.000 1.050 340 N CA 0.950 54.039 53.050 0.065 0.000 0.848 340 N CB 0.455 38.976 38.487 0.056 0.000 1.027 340 N HN 0.597 nan 8.380 nan 0.000 0.435 341 S N -0.809 114.973 115.700 0.136 0.000 2.720 341 S HA 0.381 4.852 4.470 0.002 0.000 0.278 341 S C -1.828 172.923 174.600 0.250 0.000 1.172 341 S CA -0.687 57.607 58.200 0.156 0.000 1.019 341 S CB 1.538 64.786 63.200 0.080 0.000 1.049 341 S HN 0.463 nan 8.310 nan 0.000 0.483 342 W N 2.664 124.004 121.300 0.067 0.000 3.138 342 W HA 0.737 5.398 4.660 0.001 0.000 0.331 342 W C -1.433 175.127 176.519 0.070 0.000 1.166 342 W CA -0.282 57.100 57.345 0.062 0.000 1.212 342 W CB 1.309 30.809 29.460 0.067 0.000 1.399 342 W HN 0.849 nan 8.180 nan 0.000 0.514 343 A N 3.660 126.144 122.820 -0.559 0.000 2.539 343 A HA 0.658 4.979 4.320 0.002 0.000 0.296 343 A C -1.809 175.192 177.584 -0.971 0.000 1.073 343 A CA -0.751 51.029 52.037 -0.428 0.000 0.700 343 A CB 2.177 21.062 19.000 -0.192 0.000 1.296 343 A HN 0.615 nan 8.150 nan 0.000 0.405 344 Q N 0.956 120.489 119.800 -0.446 0.000 2.310 344 Q HA 0.577 4.918 4.340 0.002 0.000 0.270 344 Q C -0.149 175.714 176.000 -0.228 0.000 1.025 344 Q CA 0.201 55.765 55.803 -0.398 0.000 0.772 344 Q CB 1.604 30.322 28.738 -0.033 0.000 1.253 344 Q HN 2.251 nan 8.270 nan 0.000 0.450 345 G N 2.554 111.122 108.800 -0.387 0.000 2.346 345 G HA2 -0.098 3.863 3.960 0.002 0.000 0.294 345 G HA3 -0.098 3.863 3.960 0.002 0.000 0.294 345 G C -1.555 173.263 174.900 -0.136 0.000 1.294 345 G CA -1.076 43.961 45.100 -0.104 0.000 0.962 345 G HN 0.575 nan 8.290 nan 0.000 0.508 346 N N 0.091 118.821 118.700 0.050 0.000 2.411 346 N HA 0.459 5.200 4.740 0.002 0.000 0.259 346 N C -0.030 175.429 175.510 -0.086 0.000 1.103 346 N CA -0.078 52.969 53.050 -0.006 0.000 0.954 346 N CB 1.683 40.241 38.487 0.117 0.000 1.085 346 N HN 0.499 nan 8.380 nan 0.000 0.485 347 V N 3.688 123.446 119.914 -0.260 0.000 2.472 347 V HA 0.411 4.532 4.120 0.002 0.000 0.290 347 V C -0.587 175.230 176.094 -0.462 0.000 1.037 347 V CA -0.488 61.663 62.300 -0.248 0.000 0.908 347 V CB 0.401 32.103 31.823 -0.201 0.000 0.985 347 V HN 0.486 nan 8.190 nan 0.000 0.454 348 Y N 2.529 122.620 120.300 -0.348 0.000 2.570 348 Y HA 0.656 5.207 4.550 0.002 0.000 0.345 348 Y C 0.070 175.504 175.900 -0.777 0.000 1.014 348 Y CA -0.846 57.073 58.100 -0.302 0.000 1.063 348 Y CB 2.163 40.612 38.460 -0.019 0.000 1.272 348 Y HN 0.569 nan 8.280 nan 0.000 0.477 349 H N 0.685 119.729 119.070 -0.043 0.000 2.782 349 H HA 0.382 4.939 4.556 0.002 0.000 0.347 349 H C 0.587 175.857 175.328 -0.096 0.000 1.038 349 H CA -0.317 55.569 56.048 -0.269 0.000 1.255 349 H CB 1.698 31.371 29.762 -0.149 0.000 1.623 349 H HN 0.873 nan 8.280 nan 0.000 0.525 350 G N 2.278 110.997 108.800 -0.135 0.000 2.698 350 G HA2 -0.437 3.524 3.960 0.002 0.000 0.337 350 G HA3 -0.437 3.524 3.960 0.002 0.000 0.337 350 G C 1.074 176.300 174.900 0.543 0.000 1.286 350 G CA 1.599 46.874 45.100 0.292 0.000 1.000 350 G HN 0.748 nan 8.290 nan 0.000 0.547 351 T N -1.429 113.324 114.554 0.333 0.000 3.145 351 T HA 0.333 4.684 4.350 0.002 0.000 0.255 351 T C 0.652 175.498 174.700 0.244 0.000 1.039 351 T CA 0.736 63.007 62.100 0.284 0.000 0.928 351 T CB 0.068 69.043 68.868 0.179 0.000 1.029 351 T HN 0.672 nan 8.240 nan 0.000 0.554 352 N N 1.829 120.686 118.700 0.262 0.000 2.405 352 N HA 0.287 5.028 4.740 0.002 0.000 0.260 352 N C 1.347 177.060 175.510 0.338 0.000 1.152 352 N CA -0.126 53.069 53.050 0.242 0.000 0.948 352 N CB 0.835 39.446 38.487 0.206 0.000 1.111 352 N HN 0.314 nan 8.380 nan 0.000 0.485 353 G N 2.691 111.671 108.800 0.301 0.000 2.744 353 G HA2 -0.135 3.826 3.960 0.002 0.000 0.211 353 G HA3 -0.135 3.826 3.960 0.002 0.000 0.211 353 G C 0.228 175.387 174.900 0.432 0.000 1.143 353 G CA -0.002 45.316 45.100 0.362 0.000 0.788 353 G HN 0.512 nan 8.290 nan 0.000 0.534 354 N N 1.592 120.472 118.700 0.300 0.000 2.434 354 N HA 0.345 5.086 4.740 0.002 0.000 0.272 354 N C -2.489 173.010 175.510 -0.019 0.000 1.040 354 N CA -1.639 51.516 53.050 0.175 0.000 0.956 354 N CB 1.861 40.409 38.487 0.102 0.000 1.108 354 N HN 0.077 nan 8.380 nan 0.000 0.481 355 P HA 0.151 nan 4.420 nan 0.000 0.274 355 P C -0.754 176.385 177.300 -0.268 0.000 1.231 355 P CA -0.289 62.440 63.100 -0.618 0.000 0.790 355 P CB 0.667 32.129 31.700 -0.396 0.000 0.951 356 T N 2.744 117.127 114.554 -0.285 0.000 2.929 356 T HA 0.220 4.571 4.350 0.002 0.000 0.331 356 T C -0.108 174.529 174.700 -0.105 0.000 1.120 356 T CA -0.222 61.807 62.100 -0.119 0.000 0.973 356 T CB -0.815 68.009 68.868 -0.072 0.000 1.036 356 T HN 0.217 nan 8.240 nan 0.000 0.502 357 F N 3.963 123.834 119.950 -0.131 0.000 2.571 357 F HA 0.214 4.742 4.527 0.002 0.000 0.390 357 F C 0.412 176.141 175.800 -0.118 0.000 1.043 357 F CA 0.295 58.228 58.000 -0.112 0.000 1.164 357 F CB 0.121 39.077 39.000 -0.073 0.000 1.049 357 F HN 0.333 nan 8.300 nan 0.000 0.552 358 T N 6.601 120.625 114.554 -0.884 0.000 2.856 358 T HA 0.374 4.725 4.350 0.002 0.000 0.283 358 T C -0.740 173.357 174.700 -1.006 0.000 1.008 358 T CA -0.669 60.999 62.100 -0.721 0.000 0.997 358 T CB 1.553 70.134 68.868 -0.479 0.000 0.992 358 T HN 0.548 nan 8.240 nan 0.000 0.454 359 Q N 1.335 120.720 119.800 -0.693 0.000 3.090 359 Q HA 0.567 4.908 4.340 0.002 0.000 0.241 359 Q C -0.172 175.503 176.000 -0.541 0.000 0.958 359 Q CA -0.729 54.690 55.803 -0.640 0.000 0.715 359 Q CB 1.584 30.200 28.738 -0.204 0.000 1.298 359 Q HN 0.975 nan 8.270 nan 0.000 0.468 360 G N 0.840 109.027 108.800 -1.022 0.000 2.430 360 G HA2 0.168 4.129 3.960 0.002 0.000 0.300 360 G HA3 0.168 4.129 3.960 0.002 0.000 0.300 360 G C -1.308 173.170 174.900 -0.703 0.000 1.330 360 G CA -0.889 43.851 45.100 -0.600 0.000 0.813 360 G HN 0.229 nan 8.290 nan 0.000 0.487 361 N N -0.137 118.477 118.700 -0.144 0.000 2.416 361 N HA 0.442 5.183 4.740 0.002 0.000 0.246 361 N C 0.357 175.825 175.510 -0.070 0.000 1.260 361 N CA 0.305 53.360 53.050 0.008 0.000 0.897 361 N CB 0.859 39.413 38.487 0.112 0.000 1.110 361 N HN 0.730 nan 8.380 nan 0.000 0.439 362 I N -2.585 117.983 120.570 -0.004 0.000 3.108 362 I HA 0.707 4.878 4.170 0.002 0.000 0.312 362 I C 0.067 176.220 176.117 0.060 0.000 1.095 362 I CA -1.576 59.733 61.300 0.015 0.000 1.000 362 I CB 1.560 39.580 38.000 0.032 0.000 1.229 362 I HN 0.344 nan 8.210 nan 0.000 0.454 363 A N 2.612 125.477 122.820 0.075 0.000 2.561 363 A HA 0.105 4.426 4.320 0.002 0.000 0.234 363 A C 0.013 177.650 177.584 0.089 0.000 1.055 363 A CA -0.008 52.075 52.037 0.077 0.000 0.756 363 A CB -0.601 18.450 19.000 0.084 0.000 0.986 363 A HN 0.751 nan 8.150 nan 0.000 0.505 364 N N 1.162 119.904 118.700 0.070 0.000 2.411 364 N HA 0.043 4.784 4.740 0.002 0.000 0.261 364 N C -0.044 175.506 175.510 0.067 0.000 1.248 364 N CA 0.502 53.588 53.050 0.060 0.000 0.885 364 N CB 0.108 38.623 38.487 0.048 0.000 1.062 364 N HN 0.551 nan 8.380 nan 0.000 0.471 365 I N 1.669 122.257 120.570 0.029 0.000 2.598 365 I HA -0.079 4.092 4.170 0.002 0.000 0.284 365 I C 0.957 177.099 176.117 0.043 0.000 1.140 365 I CA -0.259 61.047 61.300 0.010 0.000 1.420 365 I CB 0.146 38.026 38.000 -0.200 0.000 1.387 365 I HN 0.429 nan 8.210 nan 0.000 0.553 366 N N 6.412 125.169 118.700 0.096 0.000 2.430 366 N HA 0.184 4.925 4.740 0.002 0.000 0.265 366 N C -0.833 174.726 175.510 0.082 0.000 1.100 366 N CA -0.300 52.801 53.050 0.085 0.000 0.961 366 N CB 0.534 39.081 38.487 0.100 0.000 1.075 366 N HN 0.394 nan 8.380 nan 0.000 0.478 367 R N 3.964 124.499 120.500 0.058 0.000 2.358 367 R HA 0.375 4.716 4.340 0.002 0.000 0.309 367 R C -2.321 174.013 176.300 0.057 0.000 1.026 367 R CA -1.609 54.526 56.100 0.057 0.000 0.909 367 R CB 1.188 31.501 30.300 0.022 0.000 1.153 367 R HN 0.550 nan 8.270 nan 0.000 0.515 368 P HA -0.061 nan 4.420 nan 0.000 0.263 368 P C 0.863 178.194 177.300 0.051 0.000 1.175 368 P CA 0.342 63.473 63.100 0.050 0.000 0.761 368 P CB 0.889 32.607 31.700 0.029 0.000 0.794 369 G N 2.075 110.907 108.800 0.055 0.000 2.422 369 G HA2 -0.224 3.737 3.960 0.002 0.000 0.218 369 G HA3 -0.224 3.737 3.960 0.002 0.000 0.218 369 G C 1.265 176.215 174.900 0.084 0.000 1.146 369 G CA 0.911 46.049 45.100 0.064 0.000 0.769 369 G HN 0.507 nan 8.290 nan 0.000 0.547 370 V N -1.080 118.876 119.914 0.070 0.000 2.867 370 V HA 0.038 4.159 4.120 0.002 0.000 0.260 370 V C 2.379 178.559 176.094 0.144 0.000 1.099 370 V CA 1.262 63.614 62.300 0.086 0.000 1.122 370 V CB -0.467 31.370 31.823 0.024 0.000 0.708 370 V HN 0.324 nan 8.190 nan 0.000 0.490 371 L N -0.554 120.743 121.223 0.123 0.000 2.567 371 L HA 0.364 4.705 4.340 0.002 0.000 0.225 371 L C 0.704 177.848 176.870 0.456 0.000 1.119 371 L CA 0.216 55.212 54.840 0.260 0.000 0.871 371 L CB 0.059 42.143 42.059 0.042 0.000 1.036 371 L HN 0.266 nan 8.230 nan 0.000 0.459 372 L N 0.076 121.448 121.223 0.248 0.000 2.325 372 L HA 0.315 4.656 4.340 0.002 0.000 0.278 372 L C -0.352 176.596 176.870 0.130 0.000 1.023 372 L CA -1.059 53.871 54.840 0.150 0.000 0.811 372 L CB 1.343 43.451 42.059 0.081 0.000 1.249 372 L HN 0.029 nan 8.230 nan 0.000 0.431 373 D N -0.189 120.252 120.400 0.069 0.000 2.433 373 D HA 0.024 4.665 4.640 0.002 0.000 0.255 373 D C 1.140 177.462 176.300 0.036 0.000 1.226 373 D CA -0.281 53.742 54.000 0.038 0.000 1.015 373 D CB 0.661 41.456 40.800 -0.008 0.000 1.091 373 D HN 0.511 nan 8.370 nan 0.000 0.527 374 S N -1.503 114.214 115.700 0.027 0.000 2.465 374 S HA -0.211 4.260 4.470 0.002 0.000 0.241 374 S C 1.622 176.233 174.600 0.018 0.000 1.000 374 S CA 1.429 59.644 58.200 0.025 0.000 0.964 374 S CB -1.359 61.853 63.200 0.021 0.000 0.763 374 S HN 0.713 nan 8.310 nan 0.000 0.512 375 T N -3.082 111.480 114.554 0.013 0.000 3.100 375 T HA 0.456 4.807 4.350 0.002 0.000 0.253 375 T C 1.515 176.221 174.700 0.010 0.000 1.118 375 T CA 0.619 62.724 62.100 0.009 0.000 1.058 375 T CB -0.377 68.494 68.868 0.005 0.000 0.953 375 T HN 1.309 nan 8.240 nan 0.000 0.515 376 G N 1.642 110.451 108.800 0.016 0.000 2.132 376 G HA2 -0.190 3.771 3.960 0.002 0.000 0.228 376 G HA3 -0.190 3.771 3.960 0.002 0.000 0.228 376 G C -0.051 174.852 174.900 0.004 0.000 1.000 376 G CA -0.296 44.813 45.100 0.015 0.000 0.693 376 G HN 0.703 nan 8.290 nan 0.000 0.515 377 R N -0.403 120.098 120.500 0.001 0.000 2.832 377 R HA 0.596 4.937 4.340 0.002 0.000 0.271 377 R C 0.626 176.912 176.300 -0.024 0.000 0.996 377 R CA -1.220 54.868 56.100 -0.020 0.000 0.977 377 R CB 1.258 31.550 30.300 -0.014 0.000 1.168 377 R HN 0.108 nan 8.270 nan 0.000 0.482 378 I N 2.205 122.726 120.570 -0.081 0.000 2.826 378 I HA -0.094 4.077 4.170 0.002 0.000 0.295 378 I C 0.904 176.984 176.117 -0.063 0.000 1.213 378 I CA 0.327 61.566 61.300 -0.103 0.000 1.436 378 I CB -0.155 37.595 38.000 -0.417 0.000 1.348 378 I HN 0.310 nan 8.210 nan 0.000 0.570 379 V N 6.081 125.958 119.914 -0.062 0.000 2.681 379 V HA -0.101 4.020 4.120 0.002 0.000 0.306 379 V C 0.894 176.909 176.094 -0.133 0.000 1.077 379 V CA 0.529 62.685 62.300 -0.240 0.000 1.224 379 V CB 0.658 32.061 31.823 -0.700 0.000 0.879 379 V HN 0.862 nan 8.190 nan 0.000 0.494 380 S N 5.202 120.845 115.700 -0.095 0.000 2.667 380 S HA 0.517 4.988 4.470 0.002 0.000 0.304 380 S C -0.565 173.997 174.600 -0.064 0.000 1.135 380 S CA -0.835 57.384 58.200 0.032 0.000 1.125 380 S CB 0.217 63.455 63.200 0.063 0.000 0.996 380 S HN 0.801 nan 8.310 nan 0.000 0.474 381 K N 2.967 123.291 120.400 -0.125 0.000 2.463 381 K HA 0.538 4.859 4.320 0.002 0.000 0.255 381 K C -0.468 176.172 176.600 0.066 0.000 0.942 381 K CA -0.439 55.712 56.287 -0.228 0.000 0.814 381 K CB 1.588 33.730 32.500 -0.596 0.000 1.122 381 K HN 0.440 nan 8.250 nan 0.000 0.425 382 S N 2.407 118.075 115.700 -0.053 0.000 2.610 382 S HA 0.084 4.555 4.470 0.002 0.000 0.273 382 S C -0.512 173.790 174.600 -0.497 0.000 1.274 382 S CA -0.459 57.715 58.200 -0.043 0.000 1.023 382 S CB 0.232 63.426 63.200 -0.009 0.000 0.962 382 S HN 0.792 nan 8.310 nan 0.000 0.523 383 H N 3.810 122.519 119.070 -0.601 0.000 3.231 383 H HA 0.068 4.625 4.556 0.002 0.000 0.280 383 H C -2.136 172.803 175.328 -0.647 0.000 0.901 383 H CA -0.863 54.704 56.048 -0.801 0.000 1.414 383 H CB 0.285 29.985 29.762 -0.104 0.000 1.433 383 H HN 0.287 nan 8.280 nan 0.000 0.549 384 P HA -0.020 nan 4.420 nan 0.000 0.271 384 P C -0.327 176.774 177.300 -0.331 0.000 1.220 384 P CA 0.219 62.952 63.100 -0.612 0.000 0.768 384 P CB 0.991 32.205 31.700 -0.810 0.000 0.848 385 Q N 1.159 120.806 119.800 -0.256 0.000 2.214 385 Q HA 0.089 4.430 4.340 0.002 0.000 0.229 385 Q C -0.469 175.908 176.000 0.628 0.000 0.835 385 Q CA -0.227 55.753 55.803 0.295 0.000 0.953 385 Q CB 0.167 29.077 28.738 0.287 0.000 1.131 385 Q HN 0.416 nan 8.270 nan 0.000 0.501 386 Y N 0.314 120.833 120.300 0.365 0.000 3.125 386 Y HA -0.277 4.274 4.550 0.002 0.000 0.200 386 Y C 1.498 177.818 175.900 0.701 0.000 1.373 386 Y CA 0.911 59.145 58.100 0.224 0.000 1.180 386 Y CB -2.762 35.476 38.460 -0.370 0.000 1.381 386 Y HN 0.248 nan 8.280 nan 0.000 0.501 387 T N -4.436 110.530 114.554 0.687 0.000 2.821 387 T HA -0.072 4.279 4.350 0.002 0.000 0.267 387 T C 1.948 177.016 174.700 0.614 0.000 1.046 387 T CA 1.156 63.690 62.100 0.723 0.000 1.139 387 T CB -0.361 68.724 68.868 0.361 0.000 0.871 387 T HN 0.708 nan 8.240 nan 0.000 0.454 388 G N -0.325 108.781 108.800 0.510 0.000 3.181 388 G HA2 0.301 4.262 3.960 0.002 0.000 0.219 388 G HA3 0.301 4.262 3.960 0.002 0.000 0.219 388 G C -0.308 174.754 174.900 0.269 0.000 1.182 388 G CA -0.595 44.706 45.100 0.335 0.000 0.791 388 G HN 0.564 nan 8.290 nan 0.000 0.537 389 Y N 0.244 120.714 120.300 0.284 0.000 2.310 389 Y HA 0.531 5.082 4.550 0.002 0.000 0.326 389 Y C 0.737 176.777 175.900 0.233 0.000 1.151 389 Y CA -0.872 57.331 58.100 0.172 0.000 1.195 389 Y CB 1.557 40.034 38.460 0.029 0.000 1.210 389 Y HN 0.120 nan 8.280 nan 0.000 0.483 390 A N 4.199 127.162 122.820 0.239 0.000 2.293 390 A HA 0.390 4.711 4.320 0.002 0.000 0.302 390 A C -1.812 175.919 177.584 0.245 0.000 1.119 390 A CA -1.733 50.422 52.037 0.196 0.000 0.823 390 A CB 0.367 19.415 19.000 0.079 0.000 1.097 390 A HN 0.584 nan 8.150 nan 0.000 0.491 391 P HA -0.243 nan 4.420 nan 0.000 0.218 391 P C 1.554 178.887 177.300 0.055 0.000 1.154 391 P CA 2.415 65.528 63.100 0.021 0.000 0.872 391 P CB -0.068 31.573 31.700 -0.098 0.000 0.790 392 S N -1.810 113.900 115.700 0.018 0.000 2.507 392 S HA -0.116 4.355 4.470 0.002 0.000 0.235 392 S C 1.378 175.951 174.600 -0.045 0.000 0.988 392 S CA 0.976 59.161 58.200 -0.026 0.000 0.944 392 S CB -0.965 62.213 63.200 -0.037 0.000 0.762 392 S HN 0.117 nan 8.310 nan 0.000 0.526 393 D N 0.441 120.827 120.400 -0.024 0.000 2.355 393 D HA 0.231 4.872 4.640 0.002 0.000 0.218 393 D C -0.311 175.745 176.300 -0.407 0.000 1.004 393 D CA 0.312 54.207 54.000 -0.176 0.000 0.880 393 D CB -0.038 40.679 40.800 -0.139 0.000 0.911 393 D HN 0.430 nan 8.370 nan 0.000 0.528 394 F N -0.115 119.661 119.950 -0.290 0.000 2.470 394 F HA 0.381 4.909 4.527 0.002 0.000 0.329 394 F C 0.278 175.881 175.800 -0.328 0.000 1.072 394 F CA -1.091 56.696 58.000 -0.356 0.000 0.989 394 F CB 2.008 40.718 39.000 -0.484 0.000 1.193 394 F HN -0.403 nan 8.300 nan 0.000 0.481 395 V N 2.164 121.976 119.914 -0.171 0.000 2.531 395 V HA 0.429 4.551 4.120 0.002 0.000 0.301 395 V C -0.611 175.369 176.094 -0.190 0.000 1.034 395 V CA -0.452 61.655 62.300 -0.321 0.000 0.865 395 V CB 1.722 33.109 31.823 -0.726 0.000 0.995 395 V HN 0.757 nan 8.190 nan 0.000 0.424 396 S N 4.276 119.896 115.700 -0.133 0.000 2.505 396 S HA 0.195 4.666 4.470 0.002 0.000 0.276 396 S C 1.225 175.722 174.600 -0.172 0.000 1.274 396 S CA 0.015 58.196 58.200 -0.031 0.000 1.053 396 S CB 1.319 64.526 63.200 0.012 0.000 0.919 396 S HN 1.457 nan 8.310 nan 0.000 0.490 397 V N 4.795 124.537 119.914 -0.287 0.000 2.515 397 V HA -0.026 4.095 4.120 0.002 0.000 0.250 397 V C 2.316 178.331 176.094 -0.133 0.000 1.058 397 V CA 1.796 63.868 62.300 -0.380 0.000 1.064 397 V CB -0.910 30.424 31.823 -0.815 0.000 0.675 397 V HN 0.816 nan 8.190 nan 0.000 0.461 398 R N 1.735 122.222 120.500 -0.022 0.000 2.070 398 R HA -0.095 4.247 4.340 0.002 0.000 0.233 398 R C 2.440 178.745 176.300 0.009 0.000 1.137 398 R CA 2.227 58.355 56.100 0.047 0.000 0.945 398 R CB -1.101 29.250 30.300 0.084 0.000 0.845 398 R HN 0.612 nan 8.270 nan 0.000 0.430 399 S N 0.494 116.182 115.700 -0.019 0.000 2.419 399 S HA -0.117 4.355 4.470 0.002 0.000 0.235 399 S C 1.268 175.844 174.600 -0.039 0.000 1.019 399 S CA 1.073 59.252 58.200 -0.035 0.000 0.982 399 S CB -0.145 63.017 63.200 -0.062 0.000 0.789 399 S HN 0.361 nan 8.310 nan 0.000 0.490 400 Q N -0.326 119.440 119.800 -0.058 0.000 2.280 400 Q HA 0.286 4.627 4.340 0.002 0.000 0.201 400 Q C 1.386 177.377 176.000 -0.014 0.000 0.890 400 Q CA 0.585 56.365 55.803 -0.038 0.000 0.947 400 Q CB 0.554 29.251 28.738 -0.069 0.000 1.081 400 Q HN 0.645 nan 8.270 nan 0.000 0.502 401 G N 0.165 108.965 108.800 0.001 0.000 2.211 401 G HA2 -0.206 3.755 3.960 0.002 0.000 0.201 401 G HA3 -0.206 3.755 3.960 0.002 0.000 0.201 401 G C 0.266 175.200 174.900 0.056 0.000 0.997 401 G CA -0.144 44.972 45.100 0.027 0.000 0.652 401 G HN 0.484 nan 8.290 nan 0.000 0.500 402 A N 0.601 123.464 122.820 0.072 0.000 2.347 402 A HA 0.691 5.012 4.320 0.002 0.000 0.287 402 A C 1.202 178.916 177.584 0.218 0.000 1.199 402 A CA 0.690 52.838 52.037 0.185 0.000 0.851 402 A CB 0.379 19.500 19.000 0.202 0.000 1.118 402 A HN 0.325 nan 8.150 nan 0.000 0.525 403 K N 2.216 122.697 120.400 0.136 0.000 2.211 403 K HA 0.130 4.451 4.320 0.002 0.000 0.201 403 K C 1.273 177.800 176.600 -0.123 0.000 1.052 403 K CA 0.714 57.018 56.287 0.029 0.000 0.973 403 K CB 0.141 32.658 32.500 0.029 0.000 0.766 403 K HN 1.377 nan 8.250 nan 0.000 0.466 404 G N 3.331 111.912 108.800 -0.365 0.000 2.160 404 G HA2 -0.250 3.711 3.960 0.002 0.000 0.251 404 G HA3 -0.250 3.711 3.960 0.002 0.000 0.251 404 G C 0.171 174.760 174.900 -0.518 0.000 1.008 404 G CA 0.860 45.407 45.100 -0.922 0.000 0.724 404 G HN 0.544 nan 8.290 nan 0.000 0.514 405 D N -1.251 118.972 120.400 -0.295 0.000 2.349 405 D HA 0.392 5.033 4.640 0.002 0.000 0.214 405 D C 1.860 177.971 176.300 -0.315 0.000 1.063 405 D CA 0.627 54.504 54.000 -0.206 0.000 0.847 405 D CB -0.336 40.453 40.800 -0.018 0.000 0.933 405 D HN 1.450 nan 8.370 nan 0.000 0.513 406 G N -0.174 108.421 108.800 -0.342 0.000 2.184 406 G HA2 -0.367 3.594 3.960 0.002 0.000 0.264 406 G HA3 -0.367 3.594 3.960 0.002 0.000 0.264 406 G C 0.676 175.388 174.900 -0.315 0.000 0.975 406 G CA 0.846 45.772 45.100 -0.289 0.000 0.642 406 G HN 0.581 nan 8.290 nan 0.000 0.536 407 H N -1.291 117.860 119.070 0.135 0.000 2.312 407 H HA 0.227 4.784 4.556 0.002 0.000 0.215 407 H C 1.118 176.500 175.328 0.090 0.000 0.870 407 H CA 0.314 56.437 56.048 0.124 0.000 0.982 407 H CB 0.303 30.133 29.762 0.113 0.000 1.330 407 H HN 0.257 nan 8.280 nan 0.000 0.399 408 T N 2.352 117.006 114.554 0.167 0.000 2.888 408 T HA -0.039 4.312 4.350 0.002 0.000 0.301 408 T C -0.059 174.712 174.700 0.118 0.000 1.001 408 T CA -0.003 62.171 62.100 0.123 0.000 1.147 408 T CB 0.539 69.465 68.868 0.095 0.000 0.931 408 T HN 0.218 nan 8.240 nan 0.000 0.541 409 D N 2.374 122.843 120.400 0.115 0.000 2.346 409 D HA 0.012 4.653 4.640 0.002 0.000 0.260 409 D C 0.134 176.510 176.300 0.128 0.000 1.252 409 D CA -0.201 53.873 54.000 0.122 0.000 0.895 409 D CB 0.570 41.434 40.800 0.106 0.000 1.097 409 D HN 0.386 nan 8.370 nan 0.000 0.489 410 D N 2.695 123.192 120.400 0.162 0.000 2.363 410 D HA -0.006 4.635 4.640 0.002 0.000 0.214 410 D C 1.449 177.853 176.300 0.173 0.000 1.093 410 D CA 0.142 54.252 54.000 0.183 0.000 0.837 410 D CB 0.586 41.556 40.800 0.284 0.000 0.948 410 D HN 0.417 nan 8.370 nan 0.000 0.507 411 T N 0.717 115.367 114.554 0.159 0.000 2.635 411 T HA -0.259 4.092 4.350 0.002 0.000 0.267 411 T C 1.904 176.680 174.700 0.126 0.000 1.040 411 T CA 1.391 63.582 62.100 0.152 0.000 1.156 411 T CB -0.011 68.938 68.868 0.136 0.000 0.863 411 T HN 0.082 nan 8.240 nan 0.000 0.430 412 Q N 1.027 120.887 119.800 0.100 0.000 2.046 412 Q HA 0.115 4.456 4.340 0.002 0.000 0.200 412 Q C 2.423 178.464 176.000 0.067 0.000 0.975 412 Q CA 1.697 57.546 55.803 0.077 0.000 0.836 412 Q CB -0.848 27.926 28.738 0.060 0.000 0.896 412 Q HN 0.521 nan 8.270 nan 0.000 0.428 413 A N 0.135 122.995 122.820 0.067 0.000 1.892 413 A HA -0.202 4.119 4.320 0.002 0.000 0.218 413 A C 2.128 179.716 177.584 0.007 0.000 1.188 413 A CA 1.767 53.829 52.037 0.040 0.000 0.631 413 A CB -0.847 18.185 19.000 0.053 0.000 0.822 413 A HN 0.465 nan 8.150 nan 0.000 0.447 414 I N -0.596 120.000 120.570 0.044 0.000 2.252 414 I HA -0.246 3.925 4.170 0.002 0.000 0.245 414 I C 2.471 178.636 176.117 0.080 0.000 1.102 414 I CA 1.406 62.716 61.300 0.017 0.000 1.385 414 I CB -0.227 37.883 38.000 0.184 0.000 1.064 414 I HN 0.255 nan 8.210 nan 0.000 0.414 415 K N 0.675 121.169 120.400 0.157 0.000 2.032 415 K HA -0.179 4.142 4.320 0.002 0.000 0.209 415 K C 1.888 178.564 176.600 0.126 0.000 1.048 415 K CA 1.570 57.972 56.287 0.192 0.000 0.927 415 K CB -0.390 32.191 32.500 0.136 0.000 0.712 415 K HN 0.323 nan 8.250 nan 0.000 0.441 416 N N 0.854 119.586 118.700 0.053 0.000 2.166 416 N HA -0.128 4.613 4.740 0.002 0.000 0.186 416 N C 1.947 177.449 175.510 -0.013 0.000 1.019 416 N CA 0.853 53.912 53.050 0.015 0.000 0.856 416 N CB -0.649 37.843 38.487 0.007 0.000 0.993 416 N HN -0.057 nan 8.380 nan 0.000 0.426 417 V N 1.047 120.921 119.914 -0.067 0.000 2.252 417 V HA -0.248 3.873 4.120 0.002 0.000 0.249 417 V C 1.920 177.956 176.094 -0.098 0.000 1.056 417 V CA 1.605 63.843 62.300 -0.103 0.000 1.022 417 V CB -0.728 30.867 31.823 -0.379 0.000 0.641 417 V HN 0.102 nan 8.190 nan 0.000 0.445 418 F N 0.693 120.673 119.950 0.049 0.000 2.186 418 F HA -0.048 4.480 4.527 0.002 0.000 0.299 418 F C 2.429 178.222 175.800 -0.012 0.000 1.090 418 F CA 1.140 59.158 58.000 0.031 0.000 1.307 418 F CB -1.247 37.770 39.000 0.027 0.000 1.019 418 F HN 0.089 nan 8.300 nan 0.000 0.489 419 A N -0.068 122.833 122.820 0.134 0.000 1.933 419 A HA -0.198 4.123 4.320 0.002 0.000 0.218 419 A C 2.163 179.705 177.584 -0.069 0.000 1.175 419 A CA 1.796 53.853 52.037 0.033 0.000 0.628 419 A CB -0.550 18.461 19.000 0.018 0.000 0.814 419 A HN 0.353 nan 8.150 nan 0.000 0.444 420 K N -2.326 117.974 120.400 -0.167 0.000 2.166 420 K HA 0.065 4.386 4.320 0.002 0.000 0.201 420 K C 0.974 177.185 176.600 -0.648 0.000 1.052 420 K CA 1.149 57.154 56.287 -0.470 0.000 0.969 420 K CB -0.016 32.055 32.500 -0.714 0.000 0.761 420 K HN 0.605 nan 8.250 nan 0.000 0.459 421 Y N -0.141 120.136 120.300 -0.039 0.000 2.453 421 Y HA 0.392 4.943 4.550 0.002 0.000 0.247 421 Y C 0.288 176.182 175.900 -0.010 0.000 1.124 421 Y CA -0.925 57.144 58.100 -0.051 0.000 1.243 421 Y CB 0.298 38.695 38.460 -0.105 0.000 1.213 421 Y HN -0.147 nan 8.280 nan 0.000 0.523 422 A N 0.911 123.828 122.820 0.161 0.000 2.573 422 A HA 0.345 4.666 4.320 0.002 0.000 0.250 422 A C 1.755 179.388 177.584 0.081 0.000 1.049 422 A CA 1.189 53.327 52.037 0.167 0.000 0.767 422 A CB -0.926 18.174 19.000 0.167 0.000 0.965 422 A HN 1.029 nan 8.150 nan 0.000 0.514 423 G N 0.909 109.747 108.800 0.062 0.000 2.189 423 G HA2 -0.368 3.593 3.960 0.002 0.000 0.267 423 G HA3 -0.368 3.593 3.960 0.002 0.000 0.267 423 G C 0.969 175.877 174.900 0.013 0.000 0.975 423 G CA 0.861 45.978 45.100 0.028 0.000 0.644 423 G HN 1.083 nan 8.290 nan 0.000 0.537 424 c N -0.291 118.327 118.600 0.031 0.000 2.525 424 c HA 0.480 5.051 4.570 0.002 0.000 0.291 424 c C 0.979 175.064 174.090 -0.007 0.000 1.351 424 c CA 0.624 56.971 56.329 0.031 0.000 1.771 424 c CB 0.080 42.645 42.510 0.092 0.000 2.177 424 c HN 0.412 nan 8.230 nan 0.000 0.510 425 K N 0.217 120.598 120.400 -0.032 0.000 2.512 425 K HA 0.507 4.828 4.320 0.002 0.000 0.263 425 K C -1.200 175.247 176.600 -0.255 0.000 0.966 425 K CA -0.389 55.799 56.287 -0.164 0.000 0.851 425 K CB 1.693 34.082 32.500 -0.185 0.000 1.395 425 K HN 0.116 nan 8.250 nan 0.000 0.440 426 I N 2.826 123.087 120.570 -0.514 0.000 2.471 426 I HA 0.074 4.245 4.170 0.002 0.000 0.286 426 I C 0.431 176.355 176.117 -0.322 0.000 1.079 426 I CA -0.298 60.627 61.300 -0.625 0.000 1.398 426 I CB 0.374 37.529 38.000 -1.408 0.000 1.403 426 I HN 0.202 nan 8.210 nan 0.000 0.530 427 I N 7.177 127.664 120.570 -0.140 0.000 2.337 427 I HA 0.093 4.264 4.170 0.002 0.000 0.291 427 I C -0.291 175.857 176.117 0.051 0.000 1.046 427 I CA -0.040 61.208 61.300 -0.088 0.000 1.324 427 I CB 0.070 38.034 38.000 -0.061 0.000 1.409 427 I HN 0.404 nan 8.210 nan 0.000 0.494 428 F N 7.755 127.618 119.950 -0.146 0.000 2.313 428 F HA 0.422 4.950 4.527 0.002 0.000 0.369 428 F C -0.494 175.238 175.800 -0.114 0.000 1.109 428 F CA -0.873 57.110 58.000 -0.028 0.000 1.132 428 F CB 0.437 39.431 39.000 -0.010 0.000 1.291 428 F HN 0.206 nan 8.300 nan 0.000 0.496 429 F N 4.825 124.472 119.950 -0.504 0.000 2.464 429 F HA 0.159 4.687 4.527 0.002 0.000 0.353 429 F C 0.662 176.092 175.800 -0.615 0.000 1.191 429 F CA -0.481 57.227 58.000 -0.488 0.000 1.147 429 F CB -0.342 38.423 39.000 -0.393 0.000 1.294 429 F HN 0.471 nan 8.300 nan 0.000 0.583 430 D N 1.994 122.194 120.400 -0.333 0.000 2.443 430 D HA 0.207 4.848 4.640 0.002 0.000 0.234 430 D C 0.243 176.617 176.300 0.122 0.000 1.172 430 D CA 0.102 54.045 54.000 -0.095 0.000 0.878 430 D CB 0.608 41.511 40.800 0.171 0.000 1.204 430 D HN 0.576 nan 8.370 nan 0.000 0.453 431 A N 1.194 124.100 122.820 0.143 0.000 2.555 431 A HA 0.509 4.830 4.320 0.002 0.000 0.233 431 A C 0.844 178.502 177.584 0.124 0.000 1.060 431 A CA 0.681 52.825 52.037 0.179 0.000 0.759 431 A CB -0.206 18.925 19.000 0.219 0.000 0.995 431 A HN 0.783 nan 8.150 nan 0.000 0.506 432 G N -0.254 108.576 108.800 0.051 0.000 2.352 432 G HA2 0.469 4.430 3.960 0.002 0.000 0.302 432 G HA3 0.469 4.430 3.960 0.002 0.000 0.302 432 G C -0.859 173.856 174.900 -0.309 0.000 1.370 432 G CA -0.198 44.755 45.100 -0.245 0.000 0.918 432 G HN 1.040 nan 8.290 nan 0.000 0.610 433 T N 0.801 115.060 114.554 -0.492 0.000 2.786 433 T HA 0.584 4.935 4.350 0.002 0.000 0.283 433 T C -1.329 173.160 174.700 -0.351 0.000 0.992 433 T CA -0.062 61.856 62.100 -0.303 0.000 0.954 433 T CB 0.929 69.641 68.868 -0.260 0.000 0.934 433 T HN 0.394 nan 8.240 nan 0.000 0.440 434 Y N 3.278 123.588 120.300 0.016 0.000 2.478 434 Y HA 0.392 4.943 4.550 0.002 0.000 0.329 434 Y C 0.260 176.210 175.900 0.083 0.000 0.967 434 Y CA -1.362 56.780 58.100 0.070 0.000 1.255 434 Y CB 0.475 39.018 38.460 0.138 0.000 1.103 434 Y HN 0.428 nan 8.280 nan 0.000 0.497 435 I N 5.538 126.213 120.570 0.175 0.000 2.517 435 I HA 0.116 4.287 4.170 0.002 0.000 0.285 435 I C 0.250 176.481 176.117 0.190 0.000 1.106 435 I CA -0.362 61.037 61.300 0.165 0.000 1.402 435 I CB -0.038 38.045 38.000 0.140 0.000 1.399 435 I HN 0.317 nan 8.210 nan 0.000 0.535 436 V N 3.289 123.317 119.914 0.190 0.000 2.769 436 V HA 0.798 4.919 4.120 0.002 0.000 0.312 436 V C 0.392 176.644 176.094 0.262 0.000 1.061 436 V CA -0.449 61.977 62.300 0.209 0.000 0.931 436 V CB 1.668 33.612 31.823 0.201 0.000 1.010 436 V HN 0.807 nan 8.190 nan 0.000 0.433 437 T N -2.003 112.704 114.554 0.256 0.000 3.058 437 T HA 0.364 4.715 4.350 0.002 0.000 0.278 437 T C -0.103 174.694 174.700 0.163 0.000 0.974 437 T CA 0.275 62.523 62.100 0.246 0.000 0.893 437 T CB -0.021 68.924 68.868 0.129 0.000 1.138 437 T HN 0.781 nan 8.240 nan 0.000 0.529 438 D N 0.853 121.391 120.400 0.230 0.000 2.570 438 D HA 0.401 5.042 4.640 0.002 0.000 0.244 438 D C -0.809 175.670 176.300 0.299 0.000 1.178 438 D CA -0.268 53.831 54.000 0.164 0.000 0.881 438 D CB 2.195 43.037 40.800 0.070 0.000 1.453 438 D HN -0.040 nan 8.370 nan 0.000 0.447 439 T N 1.647 116.354 114.554 0.254 0.000 2.905 439 T HA 0.147 4.498 4.350 0.002 0.000 0.299 439 T C 0.331 175.096 174.700 0.109 0.000 1.024 439 T CA -0.007 62.211 62.100 0.197 0.000 1.151 439 T CB 0.010 68.950 68.868 0.120 0.000 0.987 439 T HN 0.150 nan 8.240 nan 0.000 0.535 440 I N 3.823 124.430 120.570 0.061 0.000 2.307 440 I HA 0.230 4.401 4.170 0.002 0.000 0.289 440 I C 0.484 176.536 176.117 -0.109 0.000 1.021 440 I CA -0.308 61.012 61.300 0.034 0.000 1.224 440 I CB 0.915 38.971 38.000 0.092 0.000 1.376 440 I HN 0.683 nan 8.210 nan 0.000 0.470 441 Q N 6.827 126.547 119.800 -0.135 0.000 2.296 441 Q HA 0.444 4.785 4.340 0.002 0.000 0.257 441 Q C -0.743 174.959 176.000 -0.497 0.000 0.942 441 Q CA -0.586 55.068 55.803 -0.248 0.000 0.939 441 Q CB 1.237 29.880 28.738 -0.159 0.000 1.198 441 Q HN 0.552 nan 8.270 nan 0.000 0.429 442 I N 7.416 127.620 120.570 -0.611 0.000 2.322 442 I HA 0.228 4.399 4.170 0.002 0.000 0.292 442 I C -2.083 173.754 176.117 -0.467 0.000 1.060 442 I CA -2.183 58.633 61.300 -0.807 0.000 1.309 442 I CB 0.721 38.343 38.000 -0.632 0.000 1.415 442 I HN 0.407 nan 8.210 nan 0.000 0.492 443 P HA 0.060 nan 4.420 nan 0.000 0.268 443 P C -0.219 176.992 177.300 -0.148 0.000 1.205 443 P CA -0.242 62.745 63.100 -0.187 0.000 0.771 443 P CB 0.654 32.298 31.700 -0.093 0.000 0.858 444 A N 3.172 125.921 122.820 -0.117 0.000 2.565 444 A HA 0.381 4.702 4.320 0.002 0.000 0.237 444 A C 1.505 179.071 177.584 -0.030 0.000 1.053 444 A CA 0.908 52.901 52.037 -0.073 0.000 0.755 444 A CB -1.398 17.575 19.000 -0.046 0.000 0.980 444 A HN 0.898 nan 8.150 nan 0.000 0.506 445 G N 1.751 110.549 108.800 -0.003 0.000 2.141 445 G HA2 -0.154 3.807 3.960 0.002 0.000 0.231 445 G HA3 -0.154 3.807 3.960 0.002 0.000 0.231 445 G C 0.281 175.197 174.900 0.026 0.000 0.984 445 G CA 0.402 45.515 45.100 0.021 0.000 0.660 445 G HN 1.225 nan 8.290 nan 0.000 0.525 446 T N 0.737 115.302 114.554 0.018 0.000 2.859 446 T HA 0.635 4.986 4.350 0.002 0.000 0.281 446 T C -0.062 174.676 174.700 0.064 0.000 1.005 446 T CA -0.216 61.916 62.100 0.053 0.000 1.025 446 T CB 1.762 70.680 68.868 0.082 0.000 0.977 446 T HN 0.340 nan 8.240 nan 0.000 0.458 447 Q N 1.979 121.802 119.800 0.039 0.000 2.331 447 Q HA 0.650 4.992 4.340 0.002 0.000 0.267 447 Q C -0.718 175.300 176.000 0.030 0.000 1.006 447 Q CA -0.807 55.010 55.803 0.022 0.000 0.818 447 Q CB 1.842 30.520 28.738 -0.101 0.000 1.276 447 Q HN 0.700 nan 8.270 nan 0.000 0.450 448 I N -0.851 119.806 120.570 0.144 0.000 2.545 448 I HA 0.762 4.933 4.170 0.002 0.000 0.292 448 I C -1.236 175.019 176.117 0.230 0.000 1.040 448 I CA -0.886 60.553 61.300 0.232 0.000 1.068 448 I CB 1.894 40.131 38.000 0.395 0.000 1.251 448 I HN 0.283 nan 8.210 nan 0.000 0.424 449 V N 5.607 125.676 119.914 0.259 0.000 2.577 449 V HA 0.843 4.965 4.120 0.002 0.000 0.303 449 V C 0.638 176.840 176.094 0.181 0.000 1.042 449 V CA -0.138 62.349 62.300 0.311 0.000 0.872 449 V CB 1.160 33.268 31.823 0.474 0.000 0.998 449 V HN 1.085 nan 8.190 nan 0.000 0.423 450 G N 2.198 111.078 108.800 0.132 0.000 2.583 450 G HA2 0.654 4.615 3.960 0.002 0.000 0.280 450 G HA3 0.654 4.615 3.960 0.002 0.000 0.280 450 G C -0.726 174.219 174.900 0.075 0.000 1.376 450 G CA -0.290 44.806 45.100 -0.006 0.000 1.043 450 G HN 0.653 nan 8.290 nan 0.000 0.538 451 E N -0.642 119.602 120.200 0.074 0.000 2.621 451 E HA 0.350 4.701 4.350 0.002 0.000 0.263 451 E C 0.548 177.302 176.600 0.255 0.000 1.033 451 E CA -0.276 56.253 56.400 0.215 0.000 0.778 451 E CB 1.261 31.074 29.700 0.189 0.000 1.426 451 E HN 0.604 nan 8.360 nan 0.000 0.394 452 V N 4.849 124.939 119.914 0.293 0.000 0.548 452 V HA -0.288 3.833 4.120 0.002 0.000 0.092 452 V C -0.260 176.056 176.094 0.371 0.000 2.080 452 V CA 2.870 65.362 62.300 0.319 0.000 3.502 452 V CB -0.547 31.458 31.823 0.304 0.000 0.794 452 V HN 0.828 nan 8.190 nan 0.000 0.827 453 W N 1.908 123.250 121.300 0.071 0.000 2.330 453 W HA 0.678 5.339 4.660 0.002 0.000 0.286 453 W C -0.589 175.944 176.519 0.023 0.000 1.019 453 W CA 0.035 57.383 57.345 0.004 0.000 1.485 453 W CB 1.250 30.691 29.460 -0.033 0.000 1.457 453 W HN 0.381 nan 8.180 nan 0.000 0.359 454 S N 2.820 118.443 115.700 -0.128 0.000 2.498 454 S HA 0.518 4.989 4.470 0.002 0.000 0.324 454 S C -0.474 173.950 174.600 -0.293 0.000 1.071 454 S CA -0.392 57.769 58.200 -0.065 0.000 1.113 454 S CB 1.934 65.128 63.200 -0.010 0.000 0.976 454 S HN 0.162 nan 8.310 nan 0.000 0.462 455 V N 5.120 124.925 119.914 -0.182 0.000 2.487 455 V HA 0.469 4.590 4.120 0.002 0.000 0.298 455 V C -0.343 175.762 176.094 0.018 0.000 1.028 455 V CA -0.630 61.505 62.300 -0.275 0.000 0.860 455 V CB 1.563 33.177 31.823 -0.349 0.000 0.991 455 V HN 0.791 nan 8.190 nan 0.000 0.427 456 I N 5.534 126.090 120.570 -0.022 0.000 2.312 456 I HA 0.432 4.603 4.170 0.002 0.000 0.290 456 I C -0.131 176.055 176.117 0.115 0.000 1.008 456 I CA -0.084 61.292 61.300 0.126 0.000 1.226 456 I CB 1.294 39.385 38.000 0.152 0.000 1.371 456 I HN 0.563 nan 8.210 nan 0.000 0.468 457 M N 6.206 125.879 119.600 0.121 0.000 2.044 457 M HA 0.460 4.941 4.480 0.002 0.000 0.333 457 M C 0.004 176.344 176.300 0.067 0.000 1.004 457 M CA -0.408 54.944 55.300 0.086 0.000 0.954 457 M CB 1.155 33.823 32.600 0.114 0.000 1.468 457 M HN 0.632 nan 8.290 nan 0.000 0.414 458 G N 2.581 111.361 108.800 -0.033 0.000 2.390 458 G HA2 0.511 4.472 3.960 0.002 0.000 0.270 458 G HA3 0.511 4.472 3.960 0.002 0.000 0.270 458 G C -0.701 174.214 174.900 0.025 0.000 1.211 458 G CA -0.053 44.967 45.100 -0.133 0.000 0.842 458 G HN 0.658 nan 8.290 nan 0.000 0.519 459 T N -0.263 114.458 114.554 0.278 0.000 2.762 459 T HA 0.737 5.088 4.350 0.002 0.000 0.301 459 T C 0.261 175.178 174.700 0.362 0.000 1.299 459 T CA 1.267 63.548 62.100 0.301 0.000 1.005 459 T CB 1.005 69.979 68.868 0.176 0.000 1.377 459 T HN 2.330 nan 8.240 nan 0.000 0.504 460 G N 1.066 109.995 108.800 0.214 0.000 2.725 460 G HA2 -0.156 3.805 3.960 0.002 0.000 0.220 460 G HA3 -0.156 3.805 3.960 0.002 0.000 0.220 460 G C 0.939 175.861 174.900 0.036 0.000 1.357 460 G CA 0.669 45.834 45.100 0.108 0.000 0.866 460 G HN 1.839 nan 8.290 nan 0.000 0.548 461 S N -0.479 115.197 115.700 -0.041 0.000 2.507 461 S HA -0.054 4.417 4.470 0.002 0.000 0.235 461 S C 1.932 176.416 174.600 -0.194 0.000 0.988 461 S CA 1.872 60.019 58.200 -0.089 0.000 0.944 461 S CB -0.027 63.128 63.200 -0.076 0.000 0.762 461 S HN 1.065 nan 8.310 nan 0.000 0.526 462 K N 0.762 120.940 120.400 -0.371 0.000 2.283 462 K HA 0.101 4.422 4.320 0.002 0.000 0.202 462 K C 0.167 176.312 176.600 -0.758 0.000 1.048 462 K CA 1.054 56.930 56.287 -0.685 0.000 0.948 462 K CB -0.267 31.597 32.500 -1.060 0.000 0.742 462 K HN 0.505 nan 8.250 nan 0.000 0.458 463 F N -0.833 119.116 119.950 -0.001 0.000 2.775 463 F HA 0.226 4.754 4.527 0.002 0.000 0.313 463 F C 0.981 176.787 175.800 0.011 0.000 1.121 463 F CA -0.093 57.914 58.000 0.011 0.000 1.206 463 F CB 0.420 39.443 39.000 0.038 0.000 1.052 463 F HN 0.005 nan 8.300 nan 0.000 0.524 464 T N -4.615 109.984 114.554 0.076 0.000 3.023 464 T HA 0.107 4.458 4.350 0.002 0.000 0.253 464 T C 0.232 174.872 174.700 -0.100 0.000 1.038 464 T CA 0.010 62.118 62.100 0.014 0.000 0.962 464 T CB 0.172 69.030 68.868 -0.017 0.000 1.018 464 T HN -0.062 nan 8.240 nan 0.000 0.521 465 D N 1.629 121.971 120.400 -0.097 0.000 2.412 465 D HA 0.195 4.836 4.640 0.002 0.000 0.224 465 D C 0.743 176.969 176.300 -0.123 0.000 1.093 465 D CA -1.057 52.834 54.000 -0.181 0.000 0.850 465 D CB 0.706 41.415 40.800 -0.151 0.000 1.046 465 D HN 0.354 nan 8.370 nan 0.000 0.507 466 Y N 2.998 123.219 120.300 -0.132 0.000 2.509 466 Y HA 0.034 4.585 4.550 0.002 0.000 0.293 466 Y C 0.897 176.670 175.900 -0.211 0.000 1.133 466 Y CA 0.651 58.691 58.100 -0.100 0.000 1.283 466 Y CB -1.120 37.460 38.460 0.200 0.000 1.001 466 Y HN 0.226 nan 8.280 nan 0.000 0.555 467 N N 0.479 119.243 118.700 0.106 0.000 2.494 467 N HA -0.087 4.654 4.740 0.002 0.000 0.182 467 N C 0.284 175.757 175.510 -0.061 0.000 1.076 467 N CA 0.758 53.838 53.050 0.050 0.000 0.908 467 N CB 0.025 38.542 38.487 0.051 0.000 0.967 467 N HN 0.466 nan 8.380 nan 0.000 0.449 468 N N 0.586 119.216 118.700 -0.117 0.000 2.733 468 N HA 0.159 4.900 4.740 0.002 0.000 0.271 468 N C -2.999 172.420 175.510 -0.151 0.000 1.720 468 N CA -1.425 51.557 53.050 -0.112 0.000 0.803 468 N CB 0.914 39.355 38.487 -0.077 0.000 1.208 468 N HN -0.063 nan 8.380 nan 0.000 0.498 469 P HA 0.106 nan 4.420 nan 0.000 0.271 469 P C -0.963 176.296 177.300 -0.068 0.000 1.218 469 P CA 0.177 63.106 63.100 -0.286 0.000 0.780 469 P CB 1.141 32.360 31.700 -0.802 0.000 0.901 470 Q N 1.846 121.697 119.800 0.085 0.000 2.389 470 Q HA 0.415 4.756 4.340 0.002 0.000 0.277 470 Q C -2.613 173.570 176.000 0.304 0.000 1.082 470 Q CA -2.200 53.711 55.803 0.179 0.000 0.810 470 Q CB 2.272 31.088 28.738 0.129 0.000 1.374 470 Q HN 0.346 nan 8.270 nan 0.000 0.422 471 P HA 0.067 nan 4.420 nan 0.000 0.276 471 P C 0.619 178.016 177.300 0.161 0.000 1.243 471 P CA -0.024 63.166 63.100 0.150 0.000 0.768 471 P CB 0.928 32.683 31.700 0.092 0.000 0.856 472 V N 4.303 124.136 119.914 -0.136 0.000 2.283 472 V HA -0.090 4.031 4.120 0.002 0.000 0.243 472 V C 1.346 177.350 176.094 -0.150 0.000 1.039 472 V CA 1.572 63.674 62.300 -0.330 0.000 1.016 472 V CB -0.475 31.032 31.823 -0.526 0.000 0.650 472 V HN 0.444 nan 8.190 nan 0.000 0.449 473 I N 0.505 120.941 120.570 -0.224 0.000 2.530 473 I HA 0.484 4.655 4.170 0.002 0.000 0.297 473 I C -0.326 175.641 176.117 -0.251 0.000 1.011 473 I CA -0.343 60.767 61.300 -0.318 0.000 1.107 473 I CB 1.303 38.900 38.000 -0.671 0.000 1.285 473 I HN 0.286 nan 8.210 nan 0.000 0.436 474 Q N 4.697 124.345 119.800 -0.254 0.000 2.320 474 Q HA 0.457 4.798 4.340 0.002 0.000 0.268 474 Q C -1.632 174.161 176.000 -0.344 0.000 1.023 474 Q CA -0.468 55.199 55.803 -0.227 0.000 0.744 474 Q CB 1.897 30.548 28.738 -0.146 0.000 1.246 474 Q HN 0.518 nan 8.270 nan 0.000 0.462 475 V N 4.272 123.921 119.914 -0.442 0.000 2.356 475 V HA 0.587 4.708 4.120 0.002 0.000 0.258 475 V C 0.666 176.432 176.094 -0.548 0.000 1.065 475 V CA 0.533 62.434 62.300 -0.664 0.000 0.935 475 V CB -0.089 30.989 31.823 -1.241 0.000 1.061 475 V HN 0.975 nan 8.190 nan 0.000 0.484 476 G N 4.266 112.830 108.800 -0.394 0.000 2.755 476 G HA2 0.229 4.190 3.960 0.002 0.000 0.686 476 G HA3 0.229 4.190 3.960 0.002 0.000 0.686 476 G C -0.098 174.690 174.900 -0.186 0.000 1.427 476 G CA -0.417 44.530 45.100 -0.256 0.000 0.873 476 G HN 1.420 nan 8.290 nan 0.000 0.580 477 A N 2.387 125.132 122.820 -0.125 0.000 2.304 477 A HA 0.839 5.160 4.320 0.002 0.000 0.271 477 A C -1.557 175.989 177.584 -0.063 0.000 1.091 477 A CA -0.759 51.227 52.037 -0.086 0.000 0.812 477 A CB 0.111 19.074 19.000 -0.063 0.000 1.056 477 A HN 0.756 nan 8.150 nan 0.000 0.489 478 P HA 0.143 nan 4.420 nan 0.000 0.263 478 P C 0.977 178.267 177.300 -0.018 0.000 1.175 478 P CA 2.044 65.128 63.100 -0.026 0.000 0.761 478 P CB 0.316 32.006 31.700 -0.017 0.000 0.794 479 G N 1.785 110.582 108.800 -0.005 0.000 2.175 479 G HA2 -0.262 3.699 3.960 0.002 0.000 0.265 479 G HA3 -0.262 3.699 3.960 0.002 0.000 0.265 479 G C 0.378 175.279 174.900 0.002 0.000 0.979 479 G CA 0.493 45.593 45.100 -0.000 0.000 0.663 479 G HN 0.829 nan 8.290 nan 0.000 0.533 480 S N -0.558 115.142 115.700 0.000 0.000 2.632 480 S HA 0.816 5.287 4.470 0.002 0.000 0.267 480 S C 0.143 174.766 174.600 0.037 0.000 1.276 480 S CA 0.631 58.831 58.200 -0.000 0.000 0.998 480 S CB 2.153 65.336 63.200 -0.029 0.000 0.953 480 S HN 1.964 nan 8.310 nan 0.000 0.547 481 S N -0.317 115.409 115.700 0.042 0.000 2.556 481 S HA 0.929 5.400 4.470 0.002 0.000 0.271 481 S C -0.246 174.396 174.600 0.070 0.000 1.135 481 S CA -0.286 57.969 58.200 0.091 0.000 0.858 481 S CB 1.180 64.440 63.200 0.100 0.000 1.114 481 S HN 2.188 nan 8.310 nan 0.000 0.468 482 G N 0.136 108.993 108.800 0.095 0.000 2.352 482 G HA2 0.375 4.336 3.960 0.002 0.000 0.302 482 G HA3 0.375 4.336 3.960 0.002 0.000 0.302 482 G C -1.519 173.440 174.900 0.097 0.000 1.370 482 G CA -0.396 44.750 45.100 0.076 0.000 0.918 482 G HN 1.306 nan 8.290 nan 0.000 0.610 483 V N 0.136 120.106 119.914 0.093 0.000 2.485 483 V HA 0.401 4.522 4.120 0.002 0.000 0.287 483 V C 0.298 176.451 176.094 0.097 0.000 1.022 483 V CA 0.036 62.405 62.300 0.115 0.000 1.067 483 V CB 0.890 32.779 31.823 0.110 0.000 0.967 483 V HN 0.721 nan 8.190 nan 0.000 0.479 484 V N 5.694 125.684 119.914 0.127 0.000 2.482 484 V HA 0.446 4.567 4.120 0.002 0.000 0.295 484 V C -0.297 175.934 176.094 0.229 0.000 1.026 484 V CA -0.709 61.647 62.300 0.094 0.000 0.856 484 V CB 1.800 33.577 31.823 -0.076 0.000 1.001 484 V HN 0.927 nan 8.190 nan 0.000 0.424 485 E N 5.186 125.542 120.200 0.259 0.000 2.210 485 E HA 0.670 5.021 4.350 0.002 0.000 0.266 485 E C -1.261 175.558 176.600 0.365 0.000 0.883 485 E CA -0.595 56.056 56.400 0.417 0.000 0.761 485 E CB 2.915 32.854 29.700 0.398 0.000 1.156 485 E HN 0.554 nan 8.360 nan 0.000 0.412 486 I N 2.456 123.286 120.570 0.433 0.000 2.418 486 I HA 0.284 4.455 4.170 0.002 0.000 0.287 486 I C -0.409 175.913 176.117 0.341 0.000 1.008 486 I CA -0.583 60.920 61.300 0.338 0.000 1.104 486 I CB 1.902 40.108 38.000 0.343 0.000 1.264 486 I HN 0.476 nan 8.210 nan 0.000 0.438 487 T N 0.355 115.055 114.554 0.245 0.000 2.861 487 T HA 0.381 4.732 4.350 0.002 0.000 0.287 487 T C -0.280 174.519 174.700 0.166 0.000 1.003 487 T CA -0.668 61.520 62.100 0.146 0.000 0.977 487 T CB 1.863 70.705 68.868 -0.042 0.000 0.996 487 T HN 0.664 nan 8.240 nan 0.000 0.448 488 D N 1.258 121.756 120.400 0.162 0.000 2.746 488 D HA -0.111 4.530 4.640 0.002 0.000 0.236 488 D C -0.356 175.923 176.300 -0.035 0.000 1.129 488 D CA 0.671 54.764 54.000 0.156 0.000 0.691 488 D CB -0.642 40.336 40.800 0.295 0.000 1.077 488 D HN 0.513 nan 8.370 nan 0.000 0.432 489 M N 0.353 119.824 119.600 -0.215 0.000 2.598 489 M HA 0.500 4.981 4.480 0.002 0.000 0.317 489 M C 0.212 176.095 176.300 -0.695 0.000 1.179 489 M CA -0.698 54.270 55.300 -0.554 0.000 0.936 489 M CB 2.189 34.290 32.600 -0.831 0.000 1.713 489 M HN -0.129 nan 8.290 nan 0.000 0.460 490 I N 2.690 122.771 120.570 -0.815 0.000 2.436 490 I HA 0.438 4.609 4.170 0.002 0.000 0.289 490 I C -1.229 174.494 176.117 -0.656 0.000 1.010 490 I CA -0.419 60.469 61.300 -0.687 0.000 1.098 490 I CB 1.150 38.641 38.000 -0.848 0.000 1.266 490 I HN 0.444 nan 8.210 nan 0.000 0.434 491 F N 3.985 123.854 119.950 -0.135 0.000 2.449 491 F HA 0.690 5.218 4.527 0.002 0.000 0.342 491 F C 0.666 176.421 175.800 -0.075 0.000 1.127 491 F CA -0.547 57.388 58.000 -0.108 0.000 0.975 491 F CB 1.990 40.941 39.000 -0.081 0.000 1.146 491 F HN 0.417 nan 8.300 nan 0.000 0.444 492 T N 0.552 115.167 114.554 0.101 0.000 2.648 492 T HA 0.688 5.039 4.350 0.002 0.000 0.304 492 T C -0.985 173.723 174.700 0.013 0.000 1.312 492 T CA -0.363 61.766 62.100 0.049 0.000 1.023 492 T CB 1.461 70.354 68.868 0.041 0.000 1.612 492 T HN 0.720 nan 8.240 nan 0.000 0.487 493 T N -0.366 114.199 114.554 0.019 0.000 2.901 493 T HA 0.721 5.072 4.350 0.002 0.000 0.293 493 T C -0.884 173.843 174.700 0.046 0.000 1.084 493 T CA -0.908 61.199 62.100 0.012 0.000 1.008 493 T CB 1.761 70.637 68.868 0.013 0.000 1.170 493 T HN 0.705 nan 8.240 nan 0.000 0.509 494 R N 0.627 121.163 120.500 0.060 0.000 2.343 494 R HA 0.618 4.959 4.340 0.002 0.000 0.320 494 R C 0.471 176.812 176.300 0.068 0.000 0.956 494 R CA -0.525 55.610 56.100 0.059 0.000 0.836 494 R CB 0.812 31.153 30.300 0.069 0.000 1.151 494 R HN 0.984 nan 8.270 nan 0.000 0.450 495 G N 3.848 112.678 108.800 0.050 0.000 2.572 495 G HA2 0.320 4.281 3.960 0.002 0.000 0.261 495 G HA3 0.320 4.281 3.960 0.002 0.000 0.261 495 G C -2.258 172.683 174.900 0.069 0.000 1.197 495 G CA -1.098 44.043 45.100 0.069 0.000 0.870 495 G HN 0.517 nan 8.290 nan 0.000 0.548 496 P HA 0.418 nan 4.420 nan 0.000 0.275 496 P C -0.514 176.882 177.300 0.161 0.000 1.228 496 P CA -0.262 62.927 63.100 0.148 0.000 0.786 496 P CB 1.734 33.532 31.700 0.164 0.000 0.927 497 A N 1.797 124.745 122.820 0.213 0.000 3.292 497 A HA 0.508 4.829 4.320 0.002 0.000 0.231 497 A C 1.230 178.984 177.584 0.284 0.000 0.952 497 A CA 0.119 52.290 52.037 0.223 0.000 1.044 497 A CB -0.385 18.727 19.000 0.187 0.000 1.236 497 A HN 0.436 nan 8.150 nan 0.000 0.525 498 A N -0.358 122.614 122.820 0.253 0.000 2.186 498 A HA 0.195 4.516 4.320 0.002 0.000 0.219 498 A C 1.704 179.549 177.584 0.435 0.000 1.159 498 A CA 1.901 54.134 52.037 0.327 0.000 0.680 498 A CB -0.163 18.642 19.000 -0.324 0.000 0.787 498 A HN 1.271 nan 8.150 nan 0.000 0.467 499 G N -1.623 107.333 108.800 0.261 0.000 3.453 499 G HA2 0.454 4.415 3.960 0.002 0.000 0.263 499 G HA3 0.454 4.415 3.960 0.002 0.000 0.263 499 G C 0.394 175.431 174.900 0.229 0.000 1.060 499 G CA 0.531 45.735 45.100 0.173 0.000 0.793 499 G HN 0.686 nan 8.290 nan 0.000 0.532 500 A N 0.775 123.759 122.820 0.274 0.000 2.454 500 A HA 0.604 4.925 4.320 0.002 0.000 0.260 500 A C -0.117 177.544 177.584 0.129 0.000 1.106 500 A CA -0.081 52.051 52.037 0.159 0.000 0.780 500 A CB 0.058 19.048 19.000 -0.017 0.000 1.044 500 A HN 0.286 nan 8.150 nan 0.000 0.498 501 I N 4.765 125.386 120.570 0.086 0.000 2.307 501 I HA 0.143 4.314 4.170 0.002 0.000 0.287 501 I C 0.914 177.030 176.117 -0.001 0.000 1.054 501 I CA -0.199 61.144 61.300 0.071 0.000 1.218 501 I CB 0.883 38.951 38.000 0.112 0.000 1.398 501 I HN 0.714 nan 8.210 nan 0.000 0.475 502 I N 5.208 125.767 120.570 -0.019 0.000 2.226 502 I HA -0.116 4.055 4.170 0.002 0.000 0.245 502 I C 0.536 176.594 176.117 -0.098 0.000 1.100 502 I CA 1.267 62.526 61.300 -0.068 0.000 1.374 502 I CB -0.190 37.806 38.000 -0.006 0.000 1.057 502 I HN 0.255 nan 8.210 nan 0.000 0.413 503 V N 1.151 121.044 119.914 -0.035 0.000 2.623 503 V HA 0.247 4.368 4.120 0.002 0.000 0.304 503 V C -0.415 175.713 176.094 0.057 0.000 1.054 503 V CA -0.739 61.522 62.300 -0.064 0.000 0.882 503 V CB 2.065 33.880 31.823 -0.013 0.000 1.002 503 V HN 0.201 nan 8.190 nan 0.000 0.424 504 E N 4.947 125.161 120.200 0.024 0.000 2.114 504 E HA 0.207 4.558 4.350 0.002 0.000 0.266 504 E C -1.363 175.261 176.600 0.040 0.000 0.896 504 E CA -0.622 55.825 56.400 0.079 0.000 0.750 504 E CB 1.035 30.776 29.700 0.068 0.000 1.121 504 E HN 0.716 nan 8.360 nan 0.000 0.413 505 W N 6.609 127.853 121.300 -0.093 0.000 2.291 505 W HA 0.269 4.930 4.660 0.001 0.000 0.312 505 W C -0.474 175.982 176.519 -0.105 0.000 1.061 505 W CA -0.486 56.801 57.345 -0.097 0.000 1.296 505 W CB 0.999 30.413 29.460 -0.077 0.000 1.223 505 W HN 0.688 nan 8.180 nan 0.000 0.421 506 N N 3.234 121.882 118.700 -0.088 0.000 2.510 506 N HA -0.080 4.661 4.740 0.002 0.000 0.186 506 N C 0.537 176.064 175.510 0.030 0.000 1.051 506 N CA 0.142 53.180 53.050 -0.021 0.000 0.877 506 N CB 0.525 38.966 38.487 -0.077 0.000 1.183 506 N HN 0.197 nan 8.380 nan 0.000 0.443 507 V N 2.169 122.029 119.914 -0.089 0.000 2.963 507 V HA -0.018 4.103 4.120 0.002 0.000 0.306 507 V C -0.185 176.028 176.094 0.198 0.000 1.077 507 V CA 0.090 62.393 62.300 0.004 0.000 1.124 507 V CB 0.690 32.439 31.823 -0.124 0.000 0.987 507 V HN 0.320 nan 8.190 nan 0.000 0.487 508 H N 3.344 122.477 119.070 0.105 0.000 2.679 508 H HA 0.390 4.947 4.556 0.002 0.000 0.367 508 H C -0.694 174.716 175.328 0.137 0.000 1.162 508 H CA -0.907 55.221 56.048 0.133 0.000 1.181 508 H CB 1.824 31.634 29.762 0.080 0.000 1.693 508 H HN 0.765 nan 8.280 nan 0.000 0.538 509 D N 3.892 124.425 120.400 0.223 0.000 2.548 509 D HA 0.026 4.667 4.640 0.002 0.000 0.231 509 D C -2.074 174.431 176.300 0.342 0.000 1.142 509 D CA -0.489 53.689 54.000 0.297 0.000 0.866 509 D CB 0.451 41.401 40.800 0.251 0.000 1.190 509 D HN 0.335 nan 8.370 nan 0.000 0.469 510 P HA 0.027 nan 4.420 nan 0.000 0.272 510 P C -0.172 177.208 177.300 0.133 0.000 1.223 510 P CA -0.412 62.771 63.100 0.139 0.000 0.784 510 P CB 0.547 32.309 31.700 0.104 0.000 0.923 511 S N 1.233 116.988 115.700 0.092 0.000 2.575 511 S HA 0.281 4.752 4.470 0.002 0.000 0.295 511 S C 1.451 176.099 174.600 0.079 0.000 1.267 511 S CA 1.176 59.424 58.200 0.080 0.000 1.074 511 S CB -1.440 61.789 63.200 0.050 0.000 0.829 511 S HN 0.882 nan 8.310 nan 0.000 0.497 512 G N 4.006 112.858 108.800 0.086 0.000 2.179 512 G HA2 -0.237 3.724 3.960 0.002 0.000 0.257 512 G HA3 -0.237 3.724 3.960 0.002 0.000 0.257 512 G C -0.165 174.780 174.900 0.075 0.000 1.010 512 G CA 0.415 45.560 45.100 0.074 0.000 0.736 512 G HN 0.742 nan 8.290 nan 0.000 0.513 513 Q N 0.016 119.873 119.800 0.096 0.000 2.771 513 Q HA 0.343 4.684 4.340 0.002 0.000 0.247 513 Q C -0.020 176.044 176.000 0.106 0.000 0.986 513 Q CA -0.398 55.456 55.803 0.085 0.000 0.713 513 Q CB 1.085 29.874 28.738 0.085 0.000 1.241 513 Q HN 0.611 nan 8.270 nan 0.000 0.488 514 Q N 0.876 120.728 119.800 0.086 0.000 2.311 514 Q HA 0.269 4.611 4.340 0.002 0.000 0.272 514 Q C 0.547 176.528 176.000 -0.032 0.000 1.012 514 Q CA 0.543 56.406 55.803 0.099 0.000 0.891 514 Q CB 0.690 29.458 28.738 0.051 0.000 1.201 514 Q HN 0.810 nan 8.270 nan 0.000 0.391 515 A N 1.864 124.700 122.820 0.026 0.000 2.905 515 A HA -0.283 4.038 4.320 0.002 0.000 0.260 515 A C 1.278 178.917 177.584 0.091 0.000 1.398 515 A CA 0.867 52.863 52.037 -0.069 0.000 0.840 515 A CB -2.051 16.575 19.000 -0.624 0.000 1.059 515 A HN 0.913 nan 8.150 nan 0.000 0.647 516 A N -1.022 121.885 122.820 0.145 0.000 2.014 516 A HA 0.479 4.800 4.320 0.002 0.000 0.218 516 A C 1.398 179.135 177.584 0.255 0.000 1.163 516 A CA 1.798 53.940 52.037 0.175 0.000 0.652 516 A CB -0.299 18.789 19.000 0.146 0.000 0.808 516 A HN 2.368 nan 8.150 nan 0.000 0.449 517 A N -0.145 122.851 122.820 0.294 0.000 2.253 517 A HA 0.620 4.941 4.320 0.002 0.000 0.316 517 A C 0.306 178.168 177.584 0.464 0.000 1.327 517 A CA 0.230 52.515 52.037 0.413 0.000 0.917 517 A CB 0.017 19.280 19.000 0.439 0.000 1.162 517 A HN 1.225 nan 8.150 nan 0.000 0.535 518 G N 0.016 109.118 108.800 0.504 0.000 2.601 518 G HA2 0.766 4.727 3.960 0.002 0.000 0.291 518 G HA3 0.766 4.727 3.960 0.002 0.000 0.291 518 G C -1.116 173.818 174.900 0.057 0.000 1.456 518 G CA 0.172 45.303 45.100 0.052 0.000 0.804 518 G HN 1.641 nan 8.290 nan 0.000 0.499 519 A N 0.012 122.541 122.820 -0.485 0.000 2.435 519 A HA 0.903 5.224 4.320 0.002 0.000 0.304 519 A C -1.494 175.761 177.584 -0.549 0.000 1.064 519 A CA -0.652 51.285 52.037 -0.167 0.000 0.727 519 A CB 1.402 20.452 19.000 0.083 0.000 1.284 519 A HN 0.714 nan 8.150 nan 0.000 0.415 520 W N 0.669 121.957 121.300 -0.020 0.000 3.022 520 W HA 0.319 4.980 4.660 0.001 0.000 0.335 520 W C -0.706 175.780 176.519 -0.055 0.000 1.133 520 W CA -0.456 56.855 57.345 -0.055 0.000 1.219 520 W CB 1.577 30.975 29.460 -0.103 0.000 1.409 520 W HN 0.926 nan 8.180 nan 0.000 0.507 521 D N 1.547 122.065 120.400 0.197 0.000 2.751 521 D HA -0.137 4.505 4.640 0.002 0.000 0.233 521 D C -0.241 175.973 176.300 -0.142 0.000 1.149 521 D CA 1.279 55.383 54.000 0.172 0.000 0.682 521 D CB -1.002 40.071 40.800 0.454 0.000 1.068 521 D HN 0.119 nan 8.370 nan 0.000 0.429 522 T N 0.669 114.963 114.554 -0.433 0.000 2.812 522 T HA 0.409 4.760 4.350 0.002 0.000 0.282 522 T C -0.189 174.155 174.700 -0.594 0.000 0.990 522 T CA -0.538 61.318 62.100 -0.407 0.000 0.960 522 T CB 2.021 70.814 68.868 -0.126 0.000 0.948 522 T HN 0.104 nan 8.240 nan 0.000 0.438 523 H N 1.841 120.935 119.070 0.040 0.000 2.865 523 H HA 0.516 5.073 4.556 0.002 0.000 0.372 523 H C -1.180 174.183 175.328 0.057 0.000 1.173 523 H CA -1.069 55.051 56.048 0.121 0.000 1.147 523 H CB 1.857 31.765 29.762 0.243 0.000 1.805 523 H HN 0.278 nan 8.280 nan 0.000 0.553 524 L N 2.830 124.196 121.223 0.239 0.000 2.337 524 L HA 0.227 4.568 4.340 0.002 0.000 0.269 524 L C -0.470 176.473 176.870 0.121 0.000 1.018 524 L CA -0.158 54.776 54.840 0.158 0.000 0.876 524 L CB 0.572 42.724 42.059 0.154 0.000 1.236 524 L HN 0.392 nan 8.230 nan 0.000 0.436 525 I N 4.962 125.607 120.570 0.125 0.000 2.307 525 I HA 0.305 4.476 4.170 0.002 0.000 0.287 525 I C 0.083 176.297 176.117 0.161 0.000 1.054 525 I CA -0.299 61.125 61.300 0.206 0.000 1.218 525 I CB 0.803 38.998 38.000 0.326 0.000 1.398 525 I HN 0.396 nan 8.210 nan 0.000 0.475 526 I N 5.779 126.385 120.570 0.060 0.000 2.330 526 I HA 0.571 4.742 4.170 0.002 0.000 0.286 526 I C 0.905 176.939 176.117 -0.137 0.000 1.025 526 I CA -0.208 61.072 61.300 -0.034 0.000 1.197 526 I CB 1.006 38.980 38.000 -0.044 0.000 1.358 526 I HN 0.762 nan 8.210 nan 0.000 0.467 527 G N 3.945 112.711 108.800 -0.057 0.000 2.741 527 G HA2 0.065 4.026 3.960 0.002 0.000 0.222 527 G HA3 0.065 4.026 3.960 0.002 0.000 0.222 527 G C 0.683 175.555 174.900 -0.048 0.000 1.364 527 G CA -0.134 44.909 45.100 -0.095 0.000 0.866 527 G HN 1.501 nan 8.290 nan 0.000 0.555 528 G N -2.109 106.644 108.800 -0.079 0.000 2.200 528 G HA2 0.170 4.131 3.960 0.002 0.000 0.267 528 G HA3 0.170 4.131 3.960 0.002 0.000 0.267 528 G C 1.010 175.987 174.900 0.129 0.000 0.993 528 G CA 2.202 47.306 45.100 0.007 0.000 0.701 528 G HN 2.901 nan 8.290 nan 0.000 0.524 529 T N -2.813 111.817 114.554 0.126 0.000 2.942 529 T HA 0.825 5.176 4.350 0.002 0.000 0.289 529 T C 0.464 175.203 174.700 0.065 0.000 1.044 529 T CA 0.240 62.437 62.100 0.162 0.000 1.023 529 T CB 2.039 71.085 68.868 0.297 0.000 1.123 529 T HN 1.751 nan 8.240 nan 0.000 0.512 530 A N 2.124 124.976 122.820 0.054 0.000 2.584 530 A HA 0.219 4.540 4.320 0.002 0.000 0.239 530 A C 1.032 178.384 177.584 -0.388 0.000 1.043 530 A CA 0.229 52.216 52.037 -0.084 0.000 0.756 530 A CB -0.913 18.099 19.000 0.021 0.000 0.963 530 A HN 1.023 nan 8.150 nan 0.000 0.511 531 Q N 0.956 120.494 119.800 -0.437 0.000 2.435 531 Q HA -0.250 4.091 4.340 0.002 0.000 0.286 531 Q C 1.047 176.828 176.000 -0.365 0.000 1.229 531 Q CA 0.899 56.370 55.803 -0.553 0.000 0.884 531 Q CB -2.301 25.791 28.738 -1.076 0.000 1.245 531 Q HN 1.240 nan 8.270 nan 0.000 0.488 532 S N -2.251 113.347 115.700 -0.170 0.000 2.524 532 S HA 0.313 4.784 4.470 0.002 0.000 0.216 532 S C 1.534 176.108 174.600 -0.044 0.000 0.987 532 S CA 0.605 58.771 58.200 -0.057 0.000 0.909 532 S CB 0.865 64.065 63.200 0.000 0.000 0.781 532 S HN 0.998 nan 8.310 nan 0.000 0.521 533 G N 1.309 110.069 108.800 -0.065 0.000 2.189 533 G HA2 -0.254 3.707 3.960 0.002 0.000 0.267 533 G HA3 -0.254 3.707 3.960 0.002 0.000 0.267 533 G C 0.225 175.089 174.900 -0.061 0.000 0.975 533 G CA 0.648 45.719 45.100 -0.047 0.000 0.644 533 G HN 0.609 nan 8.290 nan 0.000 0.537 534 L N 0.566 121.745 121.223 -0.073 0.000 3.096 534 L HA 0.433 4.774 4.340 0.002 0.000 0.272 534 L C 0.764 177.564 176.870 -0.116 0.000 1.311 534 L CA -0.341 54.432 54.840 -0.111 0.000 0.943 534 L CB 0.628 42.621 42.059 -0.109 0.000 1.348 534 L HN 0.239 nan 8.230 nan 0.000 0.562 535 Q N -0.820 118.922 119.800 -0.097 0.000 2.286 535 Q HA 0.254 4.596 4.340 0.002 0.000 0.250 535 Q C 1.009 176.954 176.000 -0.091 0.000 1.021 535 Q CA -0.564 55.191 55.803 -0.079 0.000 0.930 535 Q CB 2.609 31.313 28.738 -0.056 0.000 1.266 535 Q HN 0.040 nan 8.270 nan 0.000 0.491 536 V N 0.844 120.717 119.914 -0.068 0.000 2.594 536 V HA -0.145 3.976 4.120 0.002 0.000 0.253 536 V C 1.559 177.609 176.094 -0.073 0.000 1.069 536 V CA 2.606 64.862 62.300 -0.073 0.000 1.082 536 V CB -0.641 31.154 31.823 -0.047 0.000 0.680 536 V HN 0.961 nan 8.190 nan 0.000 0.469 537 G N -1.347 107.416 108.800 -0.062 0.000 2.448 537 G HA2 -0.197 3.764 3.960 0.002 0.000 0.218 537 G HA3 -0.197 3.764 3.960 0.002 0.000 0.218 537 G C 1.341 176.203 174.900 -0.062 0.000 1.135 537 G CA 0.813 45.880 45.100 -0.055 0.000 0.784 537 G HN 0.580 nan 8.290 nan 0.000 0.543 538 Q N -1.377 118.377 119.800 -0.077 0.000 2.396 538 Q HA 0.264 4.605 4.340 0.002 0.000 0.220 538 Q C 0.699 176.630 176.000 -0.115 0.000 0.900 538 Q CA 0.386 56.139 55.803 -0.083 0.000 0.925 538 Q CB 0.833 29.523 28.738 -0.080 0.000 1.065 538 Q HN 0.329 nan 8.270 nan 0.000 0.535 539 c N 2.220 120.733 118.600 -0.145 0.000 3.359 539 c HA 0.385 4.956 4.570 0.002 0.000 0.194 539 c C -2.436 171.529 174.090 -0.210 0.000 1.659 539 c CA -1.537 54.661 56.329 -0.218 0.000 1.338 539 c CB -0.050 42.283 42.510 -0.294 0.000 2.109 539 c HN 0.252 nan 8.230 nan 0.000 0.518 540 P HA 0.105 nan 4.420 nan 0.000 0.272 540 P C 0.998 178.188 177.300 -0.184 0.000 1.240 540 P CA 0.609 63.617 63.100 -0.153 0.000 0.791 540 P CB 0.699 32.331 31.700 -0.114 0.000 0.978 541 T N -3.235 111.179 114.554 -0.233 0.000 3.098 541 T HA -0.110 4.241 4.350 0.002 0.000 0.266 541 T C 1.693 176.294 174.700 -0.165 0.000 1.145 541 T CA 1.183 63.096 62.100 -0.312 0.000 1.092 541 T CB -1.128 67.247 68.868 -0.821 0.000 0.908 541 T HN 0.488 nan 8.240 nan 0.000 0.526 542 S N 1.118 116.747 115.700 -0.118 0.000 2.419 542 S HA 0.197 4.668 4.470 0.002 0.000 0.233 542 S C 2.213 176.810 174.600 -0.005 0.000 1.016 542 S CA 0.938 59.108 58.200 -0.049 0.000 0.974 542 S CB -1.121 62.050 63.200 -0.048 0.000 0.786 542 S HN 1.352 nan 8.310 nan 0.000 0.492 543 G N 0.622 109.409 108.800 -0.021 0.000 2.176 543 G HA2 -0.232 3.729 3.960 0.002 0.000 0.253 543 G HA3 -0.232 3.729 3.960 0.002 0.000 0.253 543 G C 1.043 175.955 174.900 0.021 0.000 0.979 543 G CA 0.446 45.568 45.100 0.036 0.000 0.641 543 G HN 1.352 nan 8.290 nan 0.000 0.530 544 A N 0.331 123.142 122.820 -0.016 0.000 2.032 544 A HA 0.239 4.560 4.320 0.002 0.000 0.221 544 A C 2.686 180.260 177.584 -0.017 0.000 1.165 544 A CA 2.313 54.341 52.037 -0.015 0.000 0.645 544 A CB -0.817 18.167 19.000 -0.027 0.000 0.807 544 A HN 1.669 nan 8.150 nan 0.000 0.453 545 G N -1.641 107.131 108.800 -0.046 0.000 2.534 545 G HA2 0.295 4.256 3.960 0.002 0.000 0.217 545 G HA3 0.295 4.256 3.960 0.002 0.000 0.217 545 G C 1.403 176.306 174.900 0.005 0.000 1.128 545 G CA 0.879 45.950 45.100 -0.049 0.000 0.784 545 G HN 1.422 nan 8.290 nan 0.000 0.542 546 G N 1.034 109.874 108.800 0.068 0.000 2.690 546 G HA2 -0.457 3.504 3.960 0.002 0.000 0.334 546 G HA3 -0.457 3.504 3.960 0.002 0.000 0.334 546 G C 1.108 176.139 174.900 0.217 0.000 1.250 546 G CA 0.928 46.119 45.100 0.152 0.000 0.994 546 G HN 0.521 nan 8.290 nan 0.000 0.549 547 N N 1.753 120.574 118.700 0.202 0.000 2.512 547 N HA 0.020 4.761 4.740 0.002 0.000 0.183 547 N C 1.712 177.423 175.510 0.335 0.000 1.073 547 N CA 0.680 53.948 53.050 0.364 0.000 0.911 547 N CB -0.053 38.603 38.487 0.282 0.000 0.964 547 N HN 0.409 nan 8.380 nan 0.000 0.447 548 N N -0.122 118.671 118.700 0.154 0.000 2.459 548 N HA -0.022 4.719 4.740 0.002 0.000 0.181 548 N C 0.429 175.961 175.510 0.038 0.000 1.046 548 N CA 0.665 53.768 53.050 0.089 0.000 0.904 548 N CB 0.009 38.508 38.487 0.020 0.000 0.964 548 N HN 0.323 nan 8.380 nan 0.000 0.444 549 c N 0.431 118.996 118.600 -0.058 0.000 2.855 549 c HA 0.316 4.887 4.570 0.002 0.000 0.279 549 c C 0.458 174.318 174.090 -0.384 0.000 1.270 549 c CA -0.967 55.145 56.329 -0.361 0.000 1.702 549 c CB -1.910 40.171 42.510 -0.716 0.000 1.949 549 c HN 0.085 nan 8.230 nan 0.000 0.618 550 F N 1.047 121.035 119.950 0.064 0.000 2.557 550 F HA 0.280 4.808 4.527 0.002 0.000 0.384 550 F C 1.245 177.113 175.800 0.114 0.000 1.057 550 F CA 0.318 58.428 58.000 0.183 0.000 1.169 550 F CB 0.545 39.660 39.000 0.192 0.000 1.070 550 F HN 0.255 nan 8.300 nan 0.000 0.554 551 A N 2.543 125.537 122.820 0.290 0.000 2.055 551 A HA 0.190 4.511 4.320 0.002 0.000 0.205 551 A C 0.263 177.971 177.584 0.206 0.000 1.235 551 A CA 0.715 52.845 52.037 0.155 0.000 0.822 551 A CB 0.042 19.055 19.000 0.021 0.000 0.903 551 A HN 0.718 nan 8.150 nan 0.000 0.473 552 D N -4.141 116.451 120.400 0.321 0.000 2.710 552 D HA 0.127 4.768 4.640 0.002 0.000 0.276 552 D C -0.096 176.428 176.300 0.374 0.000 1.267 552 D CA -0.485 53.683 54.000 0.281 0.000 0.772 552 D CB 0.205 41.090 40.800 0.141 0.000 1.299 552 D HN -0.057 nan 8.370 nan 0.000 0.421 553 F N 0.296 120.302 119.950 0.094 0.000 2.188 553 F HA 0.361 4.888 4.527 0.002 0.000 0.289 553 F C 0.141 175.795 175.800 -0.243 0.000 1.082 553 F CA 0.684 58.624 58.000 -0.099 0.000 1.282 553 F CB 0.347 39.273 39.000 -0.122 0.000 1.060 553 F HN 0.333 nan 8.300 nan 0.000 0.493 554 L N -0.424 120.731 121.223 -0.113 0.000 2.455 554 L HA 0.541 4.882 4.340 0.002 0.000 0.264 554 L C 0.602 177.421 176.870 -0.085 0.000 0.968 554 L CA -0.189 54.530 54.840 -0.201 0.000 0.827 554 L CB 1.558 43.549 42.059 -0.112 0.000 1.317 554 L HN 0.134 nan 8.230 nan 0.000 0.407 555 G N 3.590 112.298 108.800 -0.153 0.000 2.454 555 G HA2 0.070 4.031 3.960 0.002 0.000 0.214 555 G HA3 0.070 4.031 3.960 0.002 0.000 0.214 555 G C -0.168 174.735 174.900 0.005 0.000 1.217 555 G CA 0.902 45.963 45.100 -0.065 0.000 0.799 555 G HN 0.540 nan 8.290 nan 0.000 0.538 556 L N -0.759 120.472 121.223 0.013 0.000 2.410 556 L HA 0.572 4.913 4.340 0.002 0.000 0.270 556 L C -1.270 175.713 176.870 0.189 0.000 0.983 556 L CA -1.038 53.859 54.840 0.095 0.000 0.822 556 L CB 2.206 44.301 42.059 0.060 0.000 1.285 556 L HN 0.338 nan 8.230 nan 0.000 0.409 557 H N 5.801 124.939 119.070 0.113 0.000 2.708 557 H HA 0.477 5.034 4.556 0.002 0.000 0.320 557 H C -1.426 173.989 175.328 0.146 0.000 0.991 557 H CA -0.895 55.242 56.048 0.149 0.000 1.243 557 H CB 1.167 31.060 29.762 0.218 0.000 1.446 557 H HN 0.644 nan 8.280 nan 0.000 0.502 558 L N 5.884 127.181 121.223 0.123 0.000 2.260 558 L HA 0.194 4.535 4.340 0.002 0.000 0.289 558 L C 0.913 177.692 176.870 -0.152 0.000 1.057 558 L CA -0.544 54.296 54.840 0.000 0.000 0.811 558 L CB 1.253 43.307 42.059 -0.007 0.000 1.184 558 L HN 0.655 nan 8.230 nan 0.000 0.429 559 T N -1.353 113.070 114.554 -0.219 0.000 2.847 559 T HA 0.110 4.461 4.350 0.002 0.000 0.279 559 T C 1.296 175.947 174.700 -0.081 0.000 0.984 559 T CA -0.296 61.643 62.100 -0.269 0.000 0.988 559 T CB 1.652 70.370 68.868 -0.249 0.000 1.040 559 T HN 0.477 nan 8.240 nan 0.000 0.528 560 S N 1.027 116.693 115.700 -0.057 0.000 2.390 560 S HA -0.132 4.339 4.470 0.002 0.000 0.234 560 S C 1.957 176.571 174.600 0.024 0.000 1.063 560 S CA 2.059 60.250 58.200 -0.015 0.000 1.108 560 S CB -1.264 61.927 63.200 -0.015 0.000 0.975 560 S HN 1.034 nan 8.310 nan 0.000 0.442 561 G N 0.475 109.299 108.800 0.040 0.000 3.233 561 G HA2 0.294 4.255 3.960 0.002 0.000 0.227 561 G HA3 0.294 4.255 3.960 0.002 0.000 0.227 561 G C 0.315 175.330 174.900 0.192 0.000 1.175 561 G CA 0.406 45.564 45.100 0.097 0.000 0.781 561 G HN 0.669 nan 8.290 nan 0.000 0.542 562 S N 0.126 115.907 115.700 0.135 0.000 2.603 562 S HA 0.624 5.095 4.470 0.002 0.000 0.268 562 S C 0.197 174.793 174.600 -0.006 0.000 1.317 562 S CA 0.127 58.423 58.200 0.159 0.000 1.012 562 S CB 1.672 65.005 63.200 0.223 0.000 0.926 562 S HN 0.632 nan 8.310 nan 0.000 0.539 563 S N 0.079 115.717 115.700 -0.105 0.000 2.570 563 S HA 0.870 5.341 4.470 0.002 0.000 0.286 563 S C -0.835 173.714 174.600 -0.085 0.000 1.099 563 S CA -0.545 57.491 58.200 -0.273 0.000 0.913 563 S CB 1.467 64.323 63.200 -0.574 0.000 1.085 563 S HN 1.884 nan 8.310 nan 0.000 0.480 564 A N 1.454 124.150 122.820 -0.207 0.000 2.540 564 A HA 0.640 4.961 4.320 0.002 0.000 0.297 564 A C -1.923 175.655 177.584 -0.010 0.000 1.056 564 A CA -0.613 51.212 52.037 -0.353 0.000 0.700 564 A CB 0.984 19.332 19.000 -1.087 0.000 1.280 564 A HN 1.201 nan 8.150 nan 0.000 0.398 565 Y N 3.290 123.536 120.300 -0.090 0.000 2.402 565 Y HA 0.676 5.227 4.550 0.002 0.000 0.332 565 Y C -1.166 174.431 175.900 -0.505 0.000 0.960 565 Y CA -0.597 57.452 58.100 -0.085 0.000 1.228 565 Y CB 0.843 39.209 38.460 -0.156 0.000 1.120 565 Y HN 0.568 nan 8.280 nan 0.000 0.491 566 L N 6.396 127.274 121.223 -0.576 0.000 2.319 566 L HA 0.486 4.827 4.340 0.002 0.000 0.281 566 L C -0.746 175.768 176.870 -0.592 0.000 1.005 566 L CA -0.673 53.820 54.840 -0.579 0.000 0.828 566 L CB 1.882 43.680 42.059 -0.436 0.000 1.227 566 L HN 0.591 nan 8.230 nan 0.000 0.415 567 E N 2.267 122.082 120.200 -0.642 0.000 2.155 567 E HA 0.481 4.832 4.350 0.002 0.000 0.264 567 E C 0.788 177.136 176.600 -0.419 0.000 0.886 567 E CA 0.061 56.095 56.400 -0.611 0.000 0.752 567 E CB 1.454 30.797 29.700 -0.596 0.000 1.133 567 E HN 0.775 nan 8.360 nan 0.000 0.414 568 G N 4.503 113.105 108.800 -0.329 0.000 2.162 568 G HA2 -0.349 3.612 3.960 0.002 0.000 0.260 568 G HA3 -0.349 3.612 3.960 0.002 0.000 0.260 568 G C 0.354 175.343 174.900 0.148 0.000 0.976 568 G CA 0.430 45.506 45.100 -0.040 0.000 0.655 568 G HN 0.572 nan 8.290 nan 0.000 0.533 569 M N 0.533 120.160 119.600 0.046 0.000 2.303 569 M HA 0.385 4.866 4.480 0.002 0.000 0.350 569 M C -0.080 176.447 176.300 0.377 0.000 1.518 569 M CA -0.428 54.972 55.300 0.167 0.000 1.070 569 M CB 0.086 32.702 32.600 0.026 0.000 1.910 569 M HN 0.263 nan 8.290 nan 0.000 0.458 570 W N 6.766 128.295 121.300 0.383 0.000 2.314 570 W HA 0.479 5.140 4.660 0.002 0.000 0.310 570 W C -1.675 174.971 176.519 0.212 0.000 1.075 570 W CA -0.955 56.504 57.345 0.191 0.000 1.253 570 W CB 0.870 30.336 29.460 0.010 0.000 1.238 570 W HN 0.324 nan 8.180 nan 0.000 0.440 571 V N 7.944 128.012 119.914 0.256 0.000 2.270 571 V HA 0.087 4.208 4.120 0.002 0.000 0.263 571 V C -0.886 175.264 176.094 0.093 0.000 1.066 571 V CA -0.537 61.840 62.300 0.129 0.000 0.857 571 V CB -0.280 31.573 31.823 0.049 0.000 1.099 571 V HN 0.482 nan 8.190 nan 0.000 0.476 572 W N 6.929 127.979 121.300 -0.416 0.000 2.361 572 W HA 0.571 5.232 4.660 0.002 0.000 0.314 572 W C -0.850 175.419 176.519 -0.417 0.000 1.041 572 W CA -1.092 55.833 57.345 -0.700 0.000 1.241 572 W CB 1.360 29.838 29.460 -1.637 0.000 1.279 572 W HN 0.356 nan 8.180 nan 0.000 0.436 573 L N 7.353 128.125 121.223 -0.751 0.000 2.260 573 L HA 0.596 4.937 4.340 0.002 0.000 0.289 573 L C 0.136 176.303 176.870 -1.171 0.000 1.057 573 L CA -0.057 54.325 54.840 -0.764 0.000 0.811 573 L CB 0.356 41.976 42.059 -0.731 0.000 1.184 573 L HN 0.634 nan 8.230 nan 0.000 0.429 574 A N 4.607 126.589 122.820 -1.396 0.000 2.524 574 A HA 0.115 4.436 4.320 0.002 0.000 0.250 574 A C 1.128 178.029 177.584 -1.138 0.000 1.078 574 A CA 0.106 50.912 52.037 -2.052 0.000 0.761 574 A CB -0.081 18.133 19.000 -1.310 0.000 1.012 574 A HN 0.824 nan 8.150 nan 0.000 0.500 575 D N 1.781 121.578 120.400 -1.005 0.000 2.333 575 D HA -0.040 4.601 4.640 0.002 0.000 0.208 575 D C 0.496 176.657 176.300 -0.231 0.000 0.984 575 D CA 1.015 54.547 54.000 -0.781 0.000 0.873 575 D CB -0.051 40.013 40.800 -1.228 0.000 0.935 575 D HN 0.823 nan 8.370 nan 0.000 0.521 576 H N -1.495 117.530 119.070 -0.075 0.000 2.990 576 H HA 0.410 4.967 4.556 0.002 0.000 0.343 576 H C -1.557 173.848 175.328 0.127 0.000 1.270 576 H CA -0.761 55.325 56.048 0.064 0.000 1.118 576 H CB 1.310 31.177 29.762 0.175 0.000 1.861 576 H HN -0.219 nan 8.280 nan 0.000 0.544 577 D N 1.153 121.695 120.400 0.236 0.000 2.280 577 D HA 0.162 4.803 4.640 0.002 0.000 0.243 577 D C 0.983 177.443 176.300 0.268 0.000 1.129 577 D CA -0.437 53.657 54.000 0.158 0.000 0.848 577 D CB 1.101 41.948 40.800 0.078 0.000 1.107 577 D HN 0.547 nan 8.370 nan 0.000 0.471 578 L N 2.497 123.868 121.223 0.248 0.000 2.395 578 L HA 0.038 4.379 4.340 0.002 0.000 0.218 578 L C 1.141 178.072 176.870 0.102 0.000 1.130 578 L CA 0.597 55.585 54.840 0.246 0.000 0.826 578 L CB 0.161 42.406 42.059 0.310 0.000 0.941 578 L HN 0.350 nan 8.230 nan 0.000 0.451 579 D N -1.838 118.607 120.400 0.075 0.000 2.479 579 D HA 0.059 4.700 4.640 0.002 0.000 0.216 579 D C 1.936 178.241 176.300 0.007 0.000 1.110 579 D CA 0.317 54.329 54.000 0.020 0.000 0.841 579 D CB 0.780 41.592 40.800 0.021 0.000 1.040 579 D HN -0.003 nan 8.370 nan 0.000 0.505 580 S N -0.075 115.637 115.700 0.021 0.000 2.527 580 S HA 0.305 4.776 4.470 0.002 0.000 0.222 580 S C 1.029 175.629 174.600 0.001 0.000 0.985 580 S CA 0.629 58.832 58.200 0.005 0.000 0.921 580 S CB 0.520 63.722 63.200 0.003 0.000 0.772 580 S HN 0.490 nan 8.310 nan 0.000 0.529 581 G N -0.408 108.395 108.800 0.005 0.000 2.788 581 G HA2 0.354 4.315 3.960 0.002 0.000 0.686 581 G HA3 0.354 4.315 3.960 0.002 0.000 0.686 581 G C 0.520 175.423 174.900 0.004 0.000 1.147 581 G CA -0.556 44.541 45.100 -0.005 0.000 0.755 581 G HN 1.074 nan 8.290 nan 0.000 0.634 582 G N 0.138 108.936 108.800 -0.003 0.000 2.179 582 G HA2 0.084 4.045 3.960 0.002 0.000 0.260 582 G HA3 0.084 4.045 3.960 0.002 0.000 0.260 582 G C 1.072 175.973 174.900 0.002 0.000 0.977 582 G CA 1.326 46.424 45.100 -0.003 0.000 0.641 582 G HN 2.481 nan 8.290 nan 0.000 0.533 583 S N -0.474 115.241 115.700 0.026 0.000 3.550 583 S HA -0.214 4.257 4.470 0.002 0.000 0.372 583 S C 0.558 175.188 174.600 0.050 0.000 0.966 583 S CA 1.655 59.871 58.200 0.027 0.000 1.229 583 S CB -0.892 62.214 63.200 -0.156 0.000 0.917 583 S HN 1.014 nan 8.310 nan 0.000 0.496 584 Q N 0.760 120.614 119.800 0.091 0.000 2.296 584 Q HA 0.224 4.565 4.340 0.002 0.000 0.262 584 Q C 0.537 176.592 176.000 0.092 0.000 0.981 584 Q CA 0.006 55.843 55.803 0.057 0.000 0.905 584 Q CB 0.543 29.294 28.738 0.021 0.000 1.186 584 Q HN 0.532 nan 8.270 nan 0.000 0.399 585 Q N 2.371 122.205 119.800 0.056 0.000 2.364 585 Q HA 0.293 4.634 4.340 0.002 0.000 0.267 585 Q C -0.046 175.918 176.000 -0.059 0.000 0.999 585 Q CA 0.336 56.166 55.803 0.046 0.000 0.886 585 Q CB 0.483 29.254 28.738 0.056 0.000 1.243 585 Q HN 0.548 nan 8.270 nan 0.000 0.415 586 I N -2.548 117.979 120.570 -0.071 0.000 2.865 586 I HA 0.589 4.760 4.170 0.002 0.000 0.302 586 I C -0.896 175.133 176.117 -0.147 0.000 1.140 586 I CA -1.002 60.209 61.300 -0.149 0.000 1.021 586 I CB 2.597 40.491 38.000 -0.177 0.000 1.233 586 I HN 0.257 nan 8.210 nan 0.000 0.427 587 S N 5.148 120.692 115.700 -0.260 0.000 2.566 587 S HA 0.694 5.165 4.470 0.002 0.000 0.324 587 S C -0.446 173.615 174.600 -0.899 0.000 1.081 587 S CA -0.579 57.385 58.200 -0.393 0.000 1.105 587 S CB 0.715 63.663 63.200 -0.420 0.000 0.981 587 S HN 0.397 nan 8.310 nan 0.000 0.464 588 L N 2.125 122.918 121.223 -0.717 0.000 2.333 588 L HA 0.655 4.996 4.340 0.002 0.000 0.269 588 L C -1.133 175.415 176.870 -0.536 0.000 1.010 588 L CA -0.957 53.403 54.840 -0.800 0.000 0.818 588 L CB 1.586 43.385 42.059 -0.434 0.000 1.306 588 L HN 0.640 nan 8.230 nan 0.000 0.430 589 W N 1.170 122.363 121.300 -0.177 0.000 2.294 589 W HA 0.580 5.241 4.660 0.002 0.000 0.314 589 W C 0.153 176.839 176.519 0.279 0.000 1.044 589 W CA -0.641 56.671 57.345 -0.055 0.000 1.284 589 W CB 1.651 30.778 29.460 -0.554 0.000 1.231 589 W HN 0.339 nan 8.180 nan 0.000 0.419 590 S N 2.017 118.020 115.700 0.506 0.000 2.500 590 S HA 0.171 4.642 4.470 0.002 0.000 0.301 590 S C 0.585 175.150 174.600 -0.058 0.000 1.092 590 S CA -0.718 57.664 58.200 0.304 0.000 1.030 590 S CB 1.287 64.636 63.200 0.249 0.000 1.031 590 S HN 0.608 nan 8.310 nan 0.000 0.483 591 N N 3.093 121.346 118.700 -0.745 0.000 2.290 591 N HA 0.119 4.860 4.740 0.002 0.000 0.179 591 N C 0.547 175.504 175.510 -0.921 0.000 1.016 591 N CA 0.858 53.154 53.050 -1.257 0.000 0.871 591 N CB 0.149 37.356 38.487 -2.132 0.000 0.987 591 N HN 0.759 nan 8.380 nan 0.000 0.431 592 G N -2.088 106.170 108.800 -0.903 0.000 2.646 592 G HA2 0.462 4.423 3.960 0.002 0.000 0.291 592 G HA3 0.462 4.423 3.960 0.002 0.000 0.291 592 G C 0.185 174.541 174.900 -0.907 0.000 1.445 592 G CA -0.088 44.275 45.100 -1.228 0.000 0.814 592 G HN 0.153 nan 8.290 nan 0.000 0.495 593 G N -0.909 107.339 108.800 -0.921 0.000 2.557 593 G HA2 0.370 4.331 3.960 0.002 0.000 0.213 593 G HA3 0.370 4.331 3.960 0.002 0.000 0.213 593 G C 0.332 174.953 174.900 -0.465 0.000 1.221 593 G CA 0.283 44.658 45.100 -1.209 0.000 0.832 593 G HN 0.590 nan 8.290 nan 0.000 0.556 594 I N 0.621 121.085 120.570 -0.178 0.000 2.478 594 I HA 0.429 4.600 4.170 0.002 0.000 0.287 594 I C -0.988 175.228 176.117 0.166 0.000 1.042 594 I CA -0.343 60.932 61.300 -0.041 0.000 1.067 594 I CB 2.334 40.226 38.000 -0.180 0.000 1.233 594 I HN 0.158 nan 8.210 nan 0.000 0.431 595 M N 6.026 125.739 119.600 0.188 0.000 2.243 595 M HA 0.470 4.951 4.480 0.002 0.000 0.324 595 M C -1.109 175.267 176.300 0.126 0.000 1.031 595 M CA -0.140 55.230 55.300 0.115 0.000 0.949 595 M CB 1.767 34.447 32.600 0.133 0.000 1.615 595 M HN 0.540 nan 8.290 nan 0.000 0.430 596 S N 3.201 118.896 115.700 -0.008 0.000 2.473 596 S HA 0.440 4.911 4.470 0.002 0.000 0.307 596 S C -0.222 174.313 174.600 -0.109 0.000 1.094 596 S CA -0.515 57.699 58.200 0.023 0.000 1.070 596 S CB 1.103 64.386 63.200 0.138 0.000 1.019 596 S HN 0.897 nan 8.310 nan 0.000 0.480 597 E N 2.121 122.295 120.200 -0.043 0.000 2.583 597 E HA 0.152 4.503 4.350 0.002 0.000 0.213 597 E C 0.003 176.580 176.600 -0.039 0.000 0.989 597 E CA -0.196 56.150 56.400 -0.089 0.000 0.991 597 E CB 0.920 30.582 29.700 -0.063 0.000 1.040 597 E HN 0.504 nan 8.360 nan 0.000 0.481 598 S N 1.178 116.891 115.700 0.022 0.000 2.560 598 S HA -0.043 4.428 4.470 0.002 0.000 0.284 598 S C 1.089 175.727 174.600 0.063 0.000 1.327 598 S CA -0.098 58.128 58.200 0.043 0.000 1.055 598 S CB 0.639 63.849 63.200 0.015 0.000 0.868 598 S HN 0.091 nan 8.310 nan 0.000 0.506 599 Q N 2.402 122.219 119.800 0.028 0.000 2.403 599 Q HA 0.230 4.571 4.340 0.002 0.000 0.203 599 Q C 1.207 177.197 176.000 -0.015 0.000 0.932 599 Q CA 0.737 56.546 55.803 0.009 0.000 0.945 599 Q CB -0.352 28.409 28.738 0.038 0.000 1.045 599 Q HN 1.031 nan 8.270 nan 0.000 0.511 600 G N 2.144 110.903 108.800 -0.069 0.000 2.757 600 G HA2 -0.173 3.788 3.960 0.002 0.000 0.638 600 G HA3 -0.173 3.788 3.960 0.002 0.000 0.638 600 G C -2.775 171.996 174.900 -0.215 0.000 1.344 600 G CA -0.817 44.142 45.100 -0.235 0.000 0.855 600 G HN 0.064 nan 8.290 nan 0.000 0.537 601 P HA 0.475 nan 4.420 nan 0.000 0.276 601 P C -0.392 176.337 177.300 -0.951 0.000 1.230 601 P CA -0.117 62.541 63.100 -0.737 0.000 0.776 601 P CB 1.493 32.600 31.700 -0.988 0.000 0.888 602 V N 4.403 123.697 119.914 -1.032 0.000 2.444 602 V HA 0.329 4.450 4.120 0.002 0.000 0.294 602 V C -0.311 175.326 176.094 -0.761 0.000 1.022 602 V CA -0.430 61.320 62.300 -0.917 0.000 0.850 602 V CB 1.694 32.795 31.823 -1.204 0.000 0.992 602 V HN 0.571 nan 8.190 nan 0.000 0.426 603 W N 6.015 127.175 121.300 -0.233 0.000 2.361 603 W HA 0.551 5.211 4.660 0.001 0.000 0.314 603 W C -0.786 175.541 176.519 -0.319 0.000 1.041 603 W CA -0.755 56.490 57.345 -0.166 0.000 1.241 603 W CB 1.621 30.979 29.460 -0.170 0.000 1.279 603 W HN 0.366 nan 8.180 nan 0.000 0.436 604 L N 6.058 127.270 121.223 -0.019 0.000 2.321 604 L HA 0.331 4.672 4.340 0.002 0.000 0.272 604 L C -0.051 176.787 176.870 -0.054 0.000 1.050 604 L CA -0.590 54.199 54.840 -0.085 0.000 0.893 604 L CB 0.394 42.440 42.059 -0.022 0.000 1.272 604 L HN 0.235 nan 8.230 nan 0.000 0.435 605 I N 2.951 123.431 120.570 -0.149 0.000 2.282 605 I HA 0.246 4.417 4.170 0.002 0.000 0.290 605 I C 1.221 177.294 176.117 -0.074 0.000 1.090 605 I CA -0.022 61.244 61.300 -0.056 0.000 1.231 605 I CB 0.492 38.381 38.000 -0.185 0.000 1.434 605 I HN 0.828 nan 8.210 nan 0.000 0.487 606 G N 4.414 113.244 108.800 0.051 0.000 2.198 606 G HA2 -0.242 3.719 3.960 0.002 0.000 0.257 606 G HA3 -0.242 3.719 3.960 0.002 0.000 0.257 606 G C 0.356 175.274 174.900 0.030 0.000 1.042 606 G CA 0.482 45.620 45.100 0.063 0.000 0.791 606 G HN 0.774 nan 8.290 nan 0.000 0.502 607 T N -2.183 112.414 114.554 0.071 0.000 2.904 607 T HA 0.831 5.182 4.350 0.002 0.000 0.290 607 T C 0.269 175.123 174.700 0.257 0.000 1.018 607 T CA 0.466 62.660 62.100 0.156 0.000 1.075 607 T CB 2.341 71.321 68.868 0.185 0.000 0.986 607 T HN 1.861 nan 8.240 nan 0.000 0.523 608 A N 1.177 124.176 122.820 0.299 0.000 2.498 608 A HA 0.759 5.080 4.320 0.002 0.000 0.298 608 A C -0.328 177.443 177.584 0.311 0.000 1.075 608 A CA -0.893 51.362 52.037 0.364 0.000 0.714 608 A CB 2.027 21.210 19.000 0.305 0.000 1.299 608 A HN 0.942 nan 8.150 nan 0.000 0.407 609 S N 0.679 116.491 115.700 0.187 0.000 2.733 609 S HA 0.556 5.027 4.470 0.002 0.000 0.294 609 S C -1.229 173.433 174.600 0.103 0.000 1.149 609 S CA -0.370 57.842 58.200 0.021 0.000 1.034 609 S CB 0.584 63.494 63.200 -0.484 0.000 1.015 609 S HN 0.643 nan 8.310 nan 0.000 0.486 610 E N 2.389 122.605 120.200 0.028 0.000 2.272 610 E HA 0.394 4.746 4.350 0.002 0.000 0.269 610 E C -0.919 175.252 176.600 -0.715 0.000 0.877 610 E CA -0.932 55.261 56.400 -0.344 0.000 0.755 610 E CB 1.454 30.906 29.700 -0.413 0.000 1.192 610 E HN 0.932 nan 8.360 nan 0.000 0.422 611 H N -0.352 118.570 119.070 -0.246 0.000 2.969 611 H HA -0.141 4.417 4.556 0.002 0.000 0.269 611 H C -0.355 174.681 175.328 -0.487 0.000 1.230 611 H CA 0.392 56.190 56.048 -0.417 0.000 1.123 611 H CB -1.619 27.819 29.762 -0.539 0.000 1.289 611 H HN 0.467 nan 8.280 nan 0.000 0.364 612 H N 0.108 119.113 119.070 -0.109 0.000 2.482 612 H HA 0.217 4.774 4.556 0.002 0.000 0.344 612 H C 1.470 176.713 175.328 -0.141 0.000 1.151 612 H CA -0.071 55.888 56.048 -0.148 0.000 1.300 612 H CB 1.474 31.071 29.762 -0.274 0.000 1.494 612 H HN 0.106 nan 8.280 nan 0.000 0.542 613 I N 1.110 121.681 120.570 0.001 0.000 2.233 613 I HA -0.253 3.918 4.170 0.002 0.000 0.243 613 I C 1.292 177.346 176.117 -0.105 0.000 1.093 613 I CA 1.551 62.862 61.300 0.018 0.000 1.380 613 I CB -0.068 38.031 38.000 0.165 0.000 1.067 613 I HN 0.539 nan 8.210 nan 0.000 0.413 614 N N -1.596 116.950 118.700 -0.256 0.000 2.415 614 N HA 0.055 4.796 4.740 0.002 0.000 0.174 614 N C -0.919 174.604 175.510 0.021 0.000 1.048 614 N CA 0.233 53.191 53.050 -0.154 0.000 0.895 614 N CB 0.569 38.969 38.487 -0.146 0.000 1.036 614 N HN 0.335 nan 8.380 nan 0.000 0.449 615 Y N -2.988 117.295 120.300 -0.028 0.000 2.573 615 Y HA 0.392 4.943 4.550 0.002 0.000 0.328 615 Y C -0.207 175.688 175.900 -0.009 0.000 1.170 615 Y CA -1.146 56.966 58.100 0.020 0.000 1.078 615 Y CB 0.680 39.145 38.460 0.008 0.000 1.341 615 Y HN -0.348 nan 8.280 nan 0.000 0.459 616 Q N 1.052 120.959 119.800 0.179 0.000 2.134 616 Q HA 0.178 4.519 4.340 0.002 0.000 0.195 616 Q C -0.695 175.284 176.000 -0.034 0.000 0.958 616 Q CA 1.334 57.169 55.803 0.054 0.000 0.840 616 Q CB 0.160 28.934 28.738 0.059 0.000 0.918 616 Q HN 0.793 nan 8.270 nan 0.000 0.467 617 Y N -0.740 119.663 120.300 0.172 0.000 2.409 617 Y HA 0.459 5.010 4.550 0.002 0.000 0.343 617 Y C -0.866 175.098 175.900 0.106 0.000 0.973 617 Y CA -1.268 56.917 58.100 0.142 0.000 1.064 617 Y CB 1.729 40.215 38.460 0.044 0.000 1.207 617 Y HN -0.116 nan 8.280 nan 0.000 0.452 618 F N 4.908 124.796 119.950 -0.103 0.000 2.612 618 F HA 0.570 5.098 4.527 0.002 0.000 0.332 618 F C -1.962 173.692 175.800 -0.244 0.000 1.167 618 F CA -2.001 55.745 58.000 -0.424 0.000 0.970 618 F CB 0.807 39.077 39.000 -1.216 0.000 1.234 618 F HN 0.345 nan 8.300 nan 0.000 0.453 619 L N 6.485 127.611 121.223 -0.162 0.000 2.272 619 L HA 0.513 4.854 4.340 0.002 0.000 0.289 619 L C -0.301 176.256 176.870 -0.523 0.000 1.032 619 L CA -0.622 54.009 54.840 -0.348 0.000 0.810 619 L CB 1.485 43.367 42.059 -0.295 0.000 1.205 619 L HN 0.536 nan 8.230 nan 0.000 0.422 620 K N 4.601 124.607 120.400 -0.657 0.000 2.535 620 K HA 0.247 4.568 4.320 0.002 0.000 0.253 620 K C -0.388 176.014 176.600 -0.330 0.000 0.953 620 K CA -0.533 55.383 56.287 -0.617 0.000 0.863 620 K CB 0.786 32.704 32.500 -0.970 0.000 1.111 620 K HN 0.660 nan 8.250 nan 0.000 0.431 621 N N 0.836 119.411 118.700 -0.208 0.000 2.721 621 N HA -0.228 4.513 4.740 0.002 0.000 0.249 621 N C -0.686 174.743 175.510 -0.136 0.000 1.072 621 N CA 1.192 54.167 53.050 -0.124 0.000 0.710 621 N CB -1.391 37.040 38.487 -0.093 0.000 0.993 621 N HN 0.614 nan 8.380 nan 0.000 0.547 622 A N -0.497 122.196 122.820 -0.211 0.000 2.264 622 A HA 0.887 5.208 4.320 0.002 0.000 0.304 622 A C 0.367 177.771 177.584 -0.301 0.000 1.100 622 A CA 0.255 52.141 52.037 -0.252 0.000 0.839 622 A CB 1.354 20.074 19.000 -0.467 0.000 1.121 622 A HN 0.666 nan 8.150 nan 0.000 0.496 623 A N 0.876 123.539 122.820 -0.262 0.000 2.515 623 A HA 0.663 4.984 4.320 0.002 0.000 0.298 623 A C -0.472 177.040 177.584 -0.121 0.000 1.059 623 A CA -0.713 51.064 52.037 -0.434 0.000 0.698 623 A CB 0.624 19.254 19.000 -0.618 0.000 1.289 623 A HN 1.331 nan 8.150 nan 0.000 0.404 624 N N 0.972 119.582 118.700 -0.150 0.000 2.699 624 N HA -0.137 4.604 4.740 0.002 0.000 0.257 624 N C -1.082 174.391 175.510 -0.062 0.000 1.077 624 N CA 1.093 54.091 53.050 -0.087 0.000 0.702 624 N CB -1.411 37.003 38.487 -0.121 0.000 0.886 624 N HN 0.778 nan 8.380 nan 0.000 0.549 625 H N 0.170 119.110 119.070 -0.218 0.000 2.466 625 H HA 0.428 4.985 4.556 0.002 0.000 0.338 625 H C -0.598 174.653 175.328 -0.128 0.000 1.091 625 H CA -0.419 55.495 56.048 -0.223 0.000 1.207 625 H CB 0.786 30.430 29.762 -0.196 0.000 1.466 625 H HN 0.328 nan 8.280 nan 0.000 0.493 626 Y N 4.183 124.381 120.300 -0.170 0.000 2.331 626 Y HA 0.515 5.067 4.550 0.002 0.000 0.338 626 Y C -1.130 174.772 175.900 0.004 0.000 0.992 626 Y CA -0.780 57.300 58.100 -0.034 0.000 1.121 626 Y CB 0.504 38.987 38.460 0.039 0.000 1.184 626 Y HN 0.552 nan 8.280 nan 0.000 0.469 627 I N 6.498 126.664 120.570 -0.674 0.000 2.439 627 I HA 0.652 4.823 4.170 0.002 0.000 0.283 627 I C -0.276 175.488 176.117 -0.588 0.000 1.023 627 I CA -0.711 60.306 61.300 -0.473 0.000 1.100 627 I CB 1.747 39.591 38.000 -0.260 0.000 1.238 627 I HN 0.870 nan 8.210 nan 0.000 0.445 628 G N 6.054 114.613 108.800 -0.401 0.000 2.617 628 G HA2 0.381 4.342 3.960 0.002 0.000 0.305 628 G HA3 0.381 4.342 3.960 0.002 0.000 0.305 628 G C -1.697 173.271 174.900 0.113 0.000 1.436 628 G CA -0.638 44.397 45.100 -0.109 0.000 1.036 628 G HN 0.493 nan 8.290 nan 0.000 0.589 629 L N 1.931 123.216 121.223 0.104 0.000 2.453 629 L HA 0.776 5.117 4.340 0.002 0.000 0.261 629 L C 0.653 177.525 176.870 0.003 0.000 1.179 629 L CA -0.320 54.538 54.840 0.030 0.000 0.813 629 L CB 1.125 43.196 42.059 0.019 0.000 1.110 629 L HN 0.823 nan 8.230 nan 0.000 0.466 630 A N 4.326 127.131 122.820 -0.024 0.000 2.342 630 A HA 0.555 4.876 4.320 0.002 0.000 0.323 630 A C -1.116 176.577 177.584 0.181 0.000 1.125 630 A CA -0.534 51.542 52.037 0.065 0.000 0.785 630 A CB 1.444 20.355 19.000 -0.148 0.000 1.221 630 A HN 0.658 nan 8.150 nan 0.000 0.463 631 Q N 1.138 121.121 119.800 0.305 0.000 2.365 631 Q HA 0.701 5.042 4.340 0.002 0.000 0.269 631 Q C -1.084 175.145 176.000 0.382 0.000 1.061 631 Q CA -0.265 55.686 55.803 0.246 0.000 0.816 631 Q CB 2.216 31.032 28.738 0.130 0.000 1.325 631 Q HN 0.979 nan 8.270 nan 0.000 0.446 632 T N -0.075 114.647 114.554 0.280 0.000 2.868 632 T HA 0.676 5.027 4.350 0.002 0.000 0.306 632 T C -0.820 173.998 174.700 0.196 0.000 1.224 632 T CA -0.780 61.462 62.100 0.237 0.000 1.012 632 T CB 2.047 71.012 68.868 0.162 0.000 1.221 632 T HN 0.538 nan 8.240 nan 0.000 0.499 633 E N 0.552 120.870 120.200 0.198 0.000 2.340 633 E HA 0.506 4.857 4.350 0.002 0.000 0.273 633 E C -0.731 175.992 176.600 0.206 0.000 0.891 633 E CA -1.035 55.563 56.400 0.331 0.000 0.757 633 E CB 2.345 32.406 29.700 0.602 0.000 1.231 633 E HN 0.698 nan 8.360 nan 0.000 0.439 634 T N 3.278 117.984 114.554 0.252 0.000 2.899 634 T HA 0.205 4.556 4.350 0.002 0.000 0.295 634 T C -2.222 172.594 174.700 0.193 0.000 1.033 634 T CA -1.109 61.071 62.100 0.133 0.000 1.084 634 T CB 0.436 69.352 68.868 0.079 0.000 0.979 634 T HN 0.273 nan 8.240 nan 0.000 0.532 635 P HA 0.055 nan 4.420 nan 0.000 0.271 635 P C 0.087 177.115 177.300 -0.453 0.000 1.218 635 P CA -0.253 62.613 63.100 -0.391 0.000 0.780 635 P CB 0.527 31.703 31.700 -0.874 0.000 0.901 636 Y N 1.208 121.069 120.300 -0.732 0.000 2.516 636 Y HA -0.061 4.490 4.550 0.002 0.000 0.291 636 Y C 2.167 177.442 175.900 -1.041 0.000 1.131 636 Y CA 0.459 58.047 58.100 -0.852 0.000 1.281 636 Y CB -1.581 36.155 38.460 -1.206 0.000 1.013 636 Y HN 0.295 nan 8.280 nan 0.000 0.554 637 F N -0.292 119.398 119.950 -0.434 0.000 2.456 637 F HA 0.127 4.655 4.527 0.002 0.000 0.298 637 F C 0.781 176.540 175.800 -0.068 0.000 1.104 637 F CA -0.600 57.246 58.000 -0.256 0.000 1.435 637 F CB -1.276 37.794 39.000 0.117 0.000 1.078 637 F HN -0.157 nan 8.300 nan 0.000 0.546 638 Q N 3.213 122.878 119.800 -0.224 0.000 2.395 638 Q HA 0.088 4.429 4.340 0.002 0.000 0.271 638 Q C -1.809 174.187 176.000 -0.008 0.000 1.026 638 Q CA -1.565 54.221 55.803 -0.028 0.000 0.900 638 Q CB 0.202 28.874 28.738 -0.109 0.000 1.266 638 Q HN 0.056 nan 8.270 nan 0.000 0.430 639 P HA 0.012 nan 4.420 nan 0.000 0.253 639 P C -0.624 176.721 177.300 0.075 0.000 1.459 639 P CA 0.330 63.447 63.100 0.029 0.000 0.908 639 P CB 0.099 31.799 31.700 0.001 0.000 1.470 640 N N 1.929 120.715 118.700 0.144 0.000 2.800 640 N HA 0.248 4.989 4.740 0.002 0.000 0.240 640 N C -2.600 173.039 175.510 0.215 0.000 1.096 640 N CA -2.324 50.816 53.050 0.150 0.000 0.877 640 N CB 0.996 39.568 38.487 0.143 0.000 1.138 640 N HN 0.041 nan 8.380 nan 0.000 0.509 641 P HA 0.376 nan 4.420 nan 0.000 0.280 641 P C -0.596 176.736 177.300 0.055 0.000 1.272 641 P CA -0.572 62.536 63.100 0.014 0.000 0.819 641 P CB 1.074 32.696 31.700 -0.130 0.000 1.122 642 N N 0.417 119.120 118.700 0.004 0.000 2.444 642 N HA 0.259 5.000 4.740 0.002 0.000 0.255 642 N C -2.217 173.283 175.510 -0.017 0.000 1.255 642 N CA -1.502 51.540 53.050 -0.013 0.000 0.933 642 N CB -1.241 37.226 38.487 -0.033 0.000 1.143 642 N HN 0.290 nan 8.380 nan 0.000 0.453 643 P HA 0.079 nan 4.420 nan 0.000 0.269 643 P C -1.824 175.457 177.300 -0.031 0.000 1.209 643 P CA -0.733 62.347 63.100 -0.033 0.000 0.776 643 P CB 0.260 31.913 31.700 -0.078 0.000 0.876 644 P HA 0.106 nan 4.420 nan 0.000 0.255 644 P C -0.002 177.321 177.300 0.039 0.000 1.248 644 P CA 0.219 63.322 63.100 0.006 0.000 0.807 644 P CB 0.197 31.904 31.700 0.011 0.000 1.150 645 A N 2.669 125.474 122.820 -0.026 0.000 2.445 645 A HA 0.317 4.638 4.320 0.002 0.000 0.242 645 A C -1.474 175.960 177.584 -0.251 0.000 1.075 645 A CA -0.988 50.977 52.037 -0.121 0.000 0.777 645 A CB -0.340 18.570 19.000 -0.150 0.000 1.013 645 A HN 0.032 nan 8.150 nan 0.000 0.493 646 P HA 0.148 nan 4.420 nan 0.000 0.255 646 P C -0.324 176.815 177.300 -0.268 0.000 1.357 646 P CA 0.194 62.984 63.100 -0.517 0.000 0.839 646 P CB -0.186 30.915 31.700 -0.999 0.000 1.356 647 F N 1.187 121.049 119.950 -0.147 0.000 2.348 647 F HA 0.376 4.904 4.527 0.002 0.000 0.308 647 F C 1.560 177.161 175.800 -0.333 0.000 1.175 647 F CA -0.989 56.812 58.000 -0.332 0.000 1.080 647 F CB 0.406 39.267 39.000 -0.232 0.000 1.341 647 F HN -0.243 nan 8.300 nan 0.000 0.518 648 I N -2.300 118.135 120.570 -0.226 0.000 2.750 648 I HA 0.507 4.678 4.170 0.002 0.000 0.308 648 I C -0.388 175.746 176.117 0.028 0.000 1.016 648 I CA -0.843 60.427 61.300 -0.051 0.000 1.098 648 I CB 1.552 39.560 38.000 0.012 0.000 1.279 648 I HN 0.305 nan 8.210 nan 0.000 0.454 649 T N 3.644 118.226 114.554 0.048 0.000 2.905 649 T HA -0.008 4.343 4.350 0.002 0.000 0.299 649 T C 0.036 174.807 174.700 0.118 0.000 1.024 649 T CA 0.294 62.438 62.100 0.072 0.000 1.151 649 T CB -0.507 68.395 68.868 0.057 0.000 0.987 649 T HN 0.592 nan 8.240 nan 0.000 0.535 650 N N 1.509 120.311 118.700 0.170 0.000 2.448 650 N HA 0.145 4.886 4.740 0.002 0.000 0.279 650 N C 0.800 176.443 175.510 0.221 0.000 1.025 650 N CA -0.485 52.715 53.050 0.250 0.000 0.898 650 N CB 1.708 40.466 38.487 0.452 0.000 1.303 650 N HN 0.543 nan 8.380 nan 0.000 0.495 651 S N 2.764 118.557 115.700 0.156 0.000 2.562 651 S HA 0.048 4.519 4.470 0.002 0.000 0.221 651 S C 0.981 175.630 174.600 0.083 0.000 0.975 651 S CA 0.201 58.465 58.200 0.108 0.000 0.918 651 S CB 0.042 63.285 63.200 0.071 0.000 0.772 651 S HN 0.506 nan 8.310 nan 0.000 0.531 652 N N 1.066 119.808 118.700 0.071 0.000 2.207 652 N HA 0.119 4.860 4.740 0.002 0.000 0.182 652 N C 0.660 176.041 175.510 -0.215 0.000 1.020 652 N CA 1.164 54.133 53.050 -0.135 0.000 0.858 652 N CB -0.330 37.985 38.487 -0.287 0.000 0.991 652 N HN 0.527 nan 8.380 nan 0.000 0.427 653 F N 0.362 120.444 119.950 0.221 0.000 2.720 653 F HA 0.268 4.796 4.527 0.002 0.000 0.301 653 F C 0.140 176.140 175.800 0.334 0.000 1.103 653 F CA -0.372 57.789 58.000 0.268 0.000 1.291 653 F CB 0.567 39.776 39.000 0.349 0.000 1.086 653 F HN -0.287 nan 8.300 nan 0.000 0.592 654 D N 1.555 122.170 120.400 0.359 0.000 2.181 654 D HA 0.259 4.900 4.640 0.002 0.000 0.248 654 D C -2.341 173.880 176.300 -0.132 0.000 1.020 654 D CA -1.767 52.311 54.000 0.130 0.000 0.891 654 D CB 1.143 42.002 40.800 0.098 0.000 1.187 654 D HN -0.160 nan 8.370 nan 0.000 0.443 655 P HA 0.063 nan 4.420 nan 0.000 0.272 655 P C 0.376 177.571 177.300 -0.176 0.000 1.230 655 P CA -0.219 62.478 63.100 -0.671 0.000 0.788 655 P CB 0.870 32.003 31.700 -0.944 0.000 0.949 656 S N 0.364 116.015 115.700 -0.082 0.000 2.383 656 S HA -0.166 4.305 4.470 0.002 0.000 0.229 656 S C 0.798 175.383 174.600 -0.024 0.000 1.030 656 S CA 1.327 59.510 58.200 -0.028 0.000 1.002 656 S CB -0.402 62.786 63.200 -0.021 0.000 0.829 656 S HN 0.575 nan 8.310 nan 0.000 0.467 657 Q N 1.186 120.959 119.800 -0.046 0.000 2.400 657 Q HA 0.388 4.729 4.340 0.002 0.000 0.255 657 Q C -1.367 174.768 176.000 0.224 0.000 1.008 657 Q CA -0.587 55.245 55.803 0.048 0.000 0.841 657 Q CB 1.007 29.755 28.738 0.015 0.000 1.220 657 Q HN 0.120 nan 8.270 nan 0.000 0.474 658 L N 1.555 122.884 121.223 0.176 0.000 2.452 658 L HA 0.239 4.580 4.340 0.002 0.000 0.267 658 L C 1.105 178.052 176.870 0.128 0.000 1.188 658 L CA 0.467 55.408 54.840 0.169 0.000 0.821 658 L CB 0.349 42.435 42.059 0.045 0.000 1.102 658 L HN 0.680 nan 8.230 nan 0.000 0.470 659 G N 1.866 110.516 108.800 -0.249 0.000 2.265 659 G HA2 0.069 4.030 3.960 0.002 0.000 0.240 659 G HA3 0.069 4.030 3.960 0.002 0.000 0.240 659 G C 0.284 174.989 174.900 -0.325 0.000 1.270 659 G CA -0.210 44.447 45.100 -0.738 0.000 0.901 659 G HN 0.890 nan 8.290 nan 0.000 0.507 660 Q N 1.472 121.112 119.800 -0.267 0.000 2.300 660 Q HA -0.160 4.181 4.340 0.002 0.000 0.367 660 Q C 1.396 177.262 176.000 -0.223 0.000 1.215 660 Q CA 1.148 56.810 55.803 -0.235 0.000 1.218 660 Q CB -1.434 27.202 28.738 -0.170 0.000 1.426 660 Q HN 1.993 nan 8.270 nan 0.000 0.304 661 G N 1.588 110.293 108.800 -0.158 0.000 2.480 661 G HA2 -0.363 3.598 3.960 0.002 0.000 0.246 661 G HA3 -0.363 3.598 3.960 0.002 0.000 0.246 661 G C -0.234 174.586 174.900 -0.134 0.000 1.073 661 G CA 0.547 45.578 45.100 -0.114 0.000 0.643 661 G HN 0.688 nan 8.290 nan 0.000 0.525 662 D N 0.212 120.481 120.400 -0.218 0.000 2.575 662 D HA 0.679 5.320 4.640 0.002 0.000 0.236 662 D C 0.311 176.413 176.300 -0.330 0.000 1.075 662 D CA 0.173 54.040 54.000 -0.223 0.000 0.860 662 D CB 1.602 42.293 40.800 -0.183 0.000 1.475 662 D HN 0.699 nan 8.370 nan 0.000 0.474 663 A N 1.323 124.005 122.820 -0.230 0.000 2.561 663 A HA 0.071 4.392 4.320 0.002 0.000 0.234 663 A C -0.499 176.944 177.584 -0.235 0.000 1.055 663 A CA 0.230 52.145 52.037 -0.203 0.000 0.756 663 A CB -0.064 18.881 19.000 -0.093 0.000 0.986 663 A HN 0.561 nan 8.150 nan 0.000 0.505 664 W N 1.394 122.661 121.300 -0.056 0.000 2.181 664 W HA 0.370 5.031 4.660 0.002 0.000 0.335 664 W C 1.270 177.732 176.519 -0.096 0.000 1.310 664 W CA 0.216 57.510 57.345 -0.085 0.000 1.226 664 W CB 0.752 30.156 29.460 -0.094 0.000 1.155 664 W HN 0.843 nan 8.180 nan 0.000 0.565 665 A N 3.688 126.541 122.820 0.054 0.000 1.854 665 A HA 0.013 4.334 4.320 0.002 0.000 0.214 665 A C 0.676 178.126 177.584 -0.224 0.000 1.192 665 A CA 1.062 52.955 52.037 -0.240 0.000 0.611 665 A CB -0.160 18.413 19.000 -0.711 0.000 0.832 665 A HN 0.668 nan 8.150 nan 0.000 0.442 666 M N -0.495 118.958 119.600 -0.244 0.000 2.326 666 M HA 0.478 4.959 4.480 0.002 0.000 0.292 666 M C -1.252 174.999 176.300 -0.082 0.000 1.081 666 M CA -0.203 55.046 55.300 -0.086 0.000 0.919 666 M CB 2.256 34.785 32.600 -0.118 0.000 1.634 666 M HN 0.178 nan 8.290 nan 0.000 0.451 667 T N 3.913 118.409 114.554 -0.098 0.000 2.881 667 T HA 0.737 5.088 4.350 0.002 0.000 0.290 667 T C -1.745 172.905 174.700 -0.083 0.000 1.000 667 T CA -0.479 61.429 62.100 -0.319 0.000 0.978 667 T CB 1.194 69.608 68.868 -0.757 0.000 0.997 667 T HN 0.491 nan 8.240 nan 0.000 0.443 668 V N 5.823 125.662 119.914 -0.125 0.000 2.487 668 V HA 0.552 4.673 4.120 0.002 0.000 0.298 668 V C -0.407 175.660 176.094 -0.046 0.000 1.028 668 V CA -0.737 61.535 62.300 -0.046 0.000 0.860 668 V CB 1.733 33.539 31.823 -0.028 0.000 0.991 668 V HN 0.889 nan 8.190 nan 0.000 0.427 669 Q N 2.907 122.693 119.800 -0.023 0.000 2.337 669 Q HA 0.419 4.760 4.340 0.002 0.000 0.270 669 Q C 0.106 176.075 176.000 -0.053 0.000 1.043 669 Q CA -0.783 55.007 55.803 -0.021 0.000 0.794 669 Q CB 1.565 30.331 28.738 0.046 0.000 1.281 669 Q HN 0.775 nan 8.270 nan 0.000 0.446 670 N N 0.806 119.492 118.700 -0.023 0.000 2.716 670 N HA -0.183 4.558 4.740 0.002 0.000 0.250 670 N C -1.641 173.868 175.510 -0.002 0.000 1.033 670 N CA 0.921 53.967 53.050 -0.007 0.000 0.727 670 N CB -0.466 38.012 38.487 -0.015 0.000 0.950 670 N HN 0.478 nan 8.380 nan 0.000 0.541 671 S N 0.354 116.049 115.700 -0.009 0.000 2.568 671 S HA 0.599 5.070 4.470 0.002 0.000 0.302 671 S C -0.632 173.995 174.600 0.044 0.000 1.082 671 S CA -0.773 57.400 58.200 -0.045 0.000 1.009 671 S CB 1.780 64.884 63.200 -0.161 0.000 1.069 671 S HN 0.479 nan 8.310 nan 0.000 0.500 672 H N -2.042 116.998 119.070 -0.049 0.000 2.961 672 H HA 0.538 5.095 4.556 0.002 0.000 0.371 672 H C 0.221 175.542 175.328 -0.010 0.000 1.190 672 H CA -0.369 55.671 56.048 -0.014 0.000 1.138 672 H CB 0.882 30.645 29.762 0.000 0.000 1.816 672 H HN 0.960 nan 8.280 nan 0.000 0.551 673 G N 2.264 111.098 108.800 0.057 0.000 2.295 673 G HA2 -0.212 3.749 3.960 0.002 0.000 0.287 673 G HA3 -0.212 3.749 3.960 0.002 0.000 0.287 673 G C -0.321 174.558 174.900 -0.035 0.000 1.055 673 G CA 0.273 45.381 45.100 0.014 0.000 0.922 673 G HN 0.555 nan 8.290 nan 0.000 0.503 674 I N 0.290 120.835 120.570 -0.041 0.000 2.304 674 I HA 0.420 4.591 4.170 0.002 0.000 0.291 674 I C 0.177 176.265 176.117 -0.047 0.000 1.018 674 I CA -1.477 59.775 61.300 -0.080 0.000 1.260 674 I CB 1.172 39.070 38.000 -0.170 0.000 1.390 674 I HN 0.121 nan 8.210 nan 0.000 0.475 675 L N 9.008 130.227 121.223 -0.007 0.000 2.277 675 L HA 0.442 4.784 4.340 0.002 0.000 0.284 675 L C -0.527 176.306 176.870 -0.062 0.000 1.028 675 L CA -0.334 54.543 54.840 0.062 0.000 0.835 675 L CB 1.259 43.438 42.059 0.200 0.000 1.215 675 L HN 0.275 nan 8.230 nan 0.000 0.425 676 V N 6.237 126.065 119.914 -0.144 0.000 2.348 676 V HA 0.300 4.421 4.120 0.002 0.000 0.270 676 V C -0.440 175.722 176.094 0.113 0.000 1.037 676 V CA -0.180 62.014 62.300 -0.176 0.000 0.872 676 V CB 0.698 32.276 31.823 -0.407 0.000 1.002 676 V HN 0.641 nan 8.190 nan 0.000 0.464 677 F N 4.474 124.372 119.950 -0.086 0.000 2.451 677 F HA 0.709 5.237 4.527 0.002 0.000 0.367 677 F C 0.592 176.441 175.800 0.082 0.000 1.100 677 F CA 0.108 58.167 58.000 0.098 0.000 1.171 677 F CB 0.770 39.872 39.000 0.169 0.000 1.405 677 F HN 0.785 nan 8.300 nan 0.000 0.482 678 G N 3.422 112.150 108.800 -0.121 0.000 3.172 678 G HA2 0.420 4.381 3.960 0.002 0.000 0.686 678 G HA3 0.420 4.381 3.960 0.002 0.000 0.686 678 G C -1.363 173.473 174.900 -0.108 0.000 1.009 678 G CA -0.440 44.612 45.100 -0.081 0.000 0.787 678 G HN 1.454 nan 8.290 nan 0.000 0.559 679 A N 1.103 123.796 122.820 -0.212 0.000 2.520 679 A HA 1.048 5.369 4.320 0.002 0.000 0.298 679 A C 0.166 177.455 177.584 -0.492 0.000 1.051 679 A CA 0.205 51.924 52.037 -0.530 0.000 0.690 679 A CB 1.929 20.296 19.000 -1.054 0.000 1.281 679 A HN 2.475 nan 8.150 nan 0.000 0.402 680 G N 1.118 109.636 108.800 -0.470 0.000 3.164 680 G HA2 0.570 4.531 3.960 0.002 0.000 0.312 680 G HA3 0.570 4.531 3.960 0.002 0.000 0.312 680 G C -1.340 173.173 174.900 -0.645 0.000 1.530 680 G CA -0.194 44.712 45.100 -0.323 0.000 1.079 680 G HN 0.310 nan 8.290 nan 0.000 0.527 681 F N 2.535 122.220 119.950 -0.441 0.000 2.375 681 F HA 0.549 5.077 4.527 0.002 0.000 0.361 681 F C -0.676 175.012 175.800 -0.186 0.000 1.117 681 F CA -1.956 55.863 58.000 -0.302 0.000 1.037 681 F CB 1.144 40.110 39.000 -0.057 0.000 1.192 681 F HN 0.282 nan 8.300 nan 0.000 0.452 682 Y N 0.177 120.625 120.300 0.246 0.000 2.485 682 Y HA 0.607 5.158 4.550 0.002 0.000 0.345 682 Y C 0.094 175.915 175.900 -0.132 0.000 0.998 682 Y CA -1.868 56.207 58.100 -0.041 0.000 1.059 682 Y CB 2.212 40.636 38.460 -0.059 0.000 1.234 682 Y HN 0.382 nan 8.280 nan 0.000 0.461 683 S N 1.823 117.404 115.700 -0.198 0.000 2.647 683 S HA 0.580 5.051 4.470 0.002 0.000 0.300 683 S C -0.849 173.569 174.600 -0.303 0.000 1.129 683 S CA -0.393 57.730 58.200 -0.128 0.000 1.029 683 S CB 0.104 63.262 63.200 -0.070 0.000 1.007 683 S HN 0.528 nan 8.310 nan 0.000 0.484 684 F N 3.078 123.063 119.950 0.059 0.000 2.728 684 F HA 0.541 5.069 4.527 0.002 0.000 0.314 684 F C -0.251 175.178 175.800 -0.618 0.000 1.094 684 F CA -0.227 57.624 58.000 -0.248 0.000 1.217 684 F CB 0.577 39.389 39.000 -0.314 0.000 1.056 684 F HN 0.415 nan 8.300 nan 0.000 0.577 685 F N -1.189 118.776 119.950 0.025 0.000 2.613 685 F HA 0.484 5.012 4.527 0.002 0.000 0.310 685 F C 0.027 175.792 175.800 -0.058 0.000 1.085 685 F CA -1.254 56.710 58.000 -0.059 0.000 0.945 685 F CB 1.874 40.756 39.000 -0.197 0.000 1.298 685 F HN -0.464 nan 8.300 nan 0.000 0.455 686 S N 1.877 117.664 115.700 0.145 0.000 2.669 686 S HA 0.599 5.070 4.470 0.002 0.000 0.315 686 S C -0.168 174.498 174.600 0.110 0.000 1.106 686 S CA 0.033 58.286 58.200 0.087 0.000 1.107 686 S CB 0.489 63.718 63.200 0.049 0.000 0.990 686 S HN 1.486 nan 8.310 nan 0.000 0.471 687 A N 4.037 126.897 122.820 0.067 0.000 2.466 687 A HA -0.192 4.129 4.320 0.002 0.000 0.295 687 A C 0.521 178.221 177.584 0.193 0.000 1.465 687 A CA 1.432 53.530 52.037 0.102 0.000 0.744 687 A CB -2.514 16.576 19.000 0.150 0.000 1.098 687 A HN 1.717 nan 8.150 nan 0.000 0.402 688 Y N -3.152 117.244 120.300 0.161 0.000 4.899 688 Y HA -0.251 4.300 4.550 0.002 0.000 0.241 688 Y C 0.819 176.918 175.900 0.332 0.000 0.976 688 Y CA 1.606 59.791 58.100 0.141 0.000 1.952 688 Y CB -1.635 36.864 38.460 0.065 0.000 1.496 688 Y HN 0.909 nan 8.280 nan 0.000 0.545 689 N N 0.739 119.663 118.700 0.373 0.000 2.456 689 N HA 0.255 4.996 4.740 0.002 0.000 0.288 689 N C 0.832 176.444 175.510 0.169 0.000 1.059 689 N CA 0.759 53.960 53.050 0.252 0.000 0.946 689 N CB 1.364 39.944 38.487 0.155 0.000 1.150 689 N HN 0.277 nan 8.380 nan 0.000 0.479 690 T N -0.620 113.975 114.554 0.069 0.000 3.176 690 T HA 0.198 4.549 4.350 0.002 0.000 0.263 690 T C 1.535 176.204 174.700 -0.053 0.000 1.021 690 T CA -0.125 61.920 62.100 -0.091 0.000 0.905 690 T CB 0.074 68.860 68.868 -0.136 0.000 1.057 690 T HN 0.458 nan 8.240 nan 0.000 0.558 691 G N 1.585 110.379 108.800 -0.011 0.000 2.432 691 G HA2 -0.238 3.723 3.960 0.002 0.000 0.219 691 G HA3 -0.238 3.723 3.960 0.002 0.000 0.219 691 G C 1.717 176.593 174.900 -0.041 0.000 1.135 691 G CA 0.992 46.082 45.100 -0.017 0.000 0.767 691 G HN 0.834 nan 8.290 nan 0.000 0.550 692 c N -0.444 118.126 118.600 -0.049 0.000 2.466 692 c HA 0.188 4.759 4.570 0.002 0.000 0.283 692 c C 2.392 176.419 174.090 -0.105 0.000 1.472 692 c CA 0.217 56.505 56.329 -0.069 0.000 1.765 692 c CB -1.063 41.410 42.510 -0.060 0.000 1.724 692 c HN 0.488 nan 8.230 nan 0.000 0.560 693 Q N 1.298 121.034 119.800 -0.107 0.000 2.123 693 Q HA -0.086 4.255 4.340 0.002 0.000 0.199 693 Q C 2.583 178.489 176.000 -0.157 0.000 0.966 693 Q CA 1.776 57.498 55.803 -0.134 0.000 0.845 693 Q CB -0.105 28.583 28.738 -0.084 0.000 0.907 693 Q HN 0.748 nan 8.270 nan 0.000 0.439 694 S N 1.012 116.646 115.700 -0.110 0.000 2.338 694 S HA -0.073 4.398 4.470 0.002 0.000 0.218 694 S C -0.891 173.637 174.600 -0.120 0.000 1.032 694 S CA 1.255 59.392 58.200 -0.105 0.000 0.999 694 S CB -0.960 62.200 63.200 -0.067 0.000 0.905 694 S HN 0.364 nan 8.310 nan 0.000 0.439 695 P HA -0.021 nan 4.420 nan 0.000 0.234 695 P C -0.663 176.552 177.300 -0.141 0.000 1.167 695 P CA 0.616 63.651 63.100 -0.109 0.000 0.763 695 P CB -0.306 31.343 31.700 -0.085 0.000 0.835 696 Q N 0.441 120.140 119.800 -0.168 0.000 2.459 696 Q HA -0.159 4.182 4.340 0.002 0.000 0.322 696 Q C -0.315 175.578 176.000 -0.178 0.000 1.427 696 Q CA 0.589 56.268 55.803 -0.207 0.000 0.861 696 Q CB -2.389 26.205 28.738 -0.239 0.000 1.137 696 Q HN 0.521 nan 8.270 nan 0.000 0.394 697 N N -2.347 116.266 118.700 -0.145 0.000 2.545 697 N HA 0.127 4.868 4.740 0.002 0.000 0.283 697 N C 0.239 175.694 175.510 -0.092 0.000 1.596 697 N CA -0.139 52.840 53.050 -0.118 0.000 0.862 697 N CB -0.462 37.964 38.487 -0.101 0.000 1.422 697 N HN 0.217 nan 8.380 nan 0.000 0.489 698 c N 0.517 119.056 118.600 -0.101 0.000 2.413 698 c HA -0.082 4.489 4.570 0.002 0.000 0.277 698 c C 1.181 175.235 174.090 -0.060 0.000 1.265 698 c CA 1.063 57.349 56.329 -0.072 0.000 1.752 698 c CB -0.901 41.561 42.510 -0.079 0.000 1.998 698 c HN 0.735 nan 8.230 nan 0.000 0.489 699 Q N -0.541 119.215 119.800 -0.072 0.000 2.544 699 Q HA 0.360 4.701 4.340 0.002 0.000 0.291 699 Q C -0.094 175.874 176.000 -0.053 0.000 1.068 699 Q CA -0.585 55.175 55.803 -0.072 0.000 0.785 699 Q CB 1.000 29.680 28.738 -0.096 0.000 1.481 699 Q HN 0.064 nan 8.270 nan 0.000 0.430 700 N N -0.309 118.367 118.700 -0.039 0.000 2.336 700 N HA 0.003 4.745 4.740 0.002 0.000 0.177 700 N C -0.484 175.111 175.510 0.141 0.000 1.018 700 N CA 1.187 54.270 53.050 0.055 0.000 0.878 700 N CB 0.696 39.222 38.487 0.065 0.000 0.997 700 N HN 0.523 nan 8.380 nan 0.000 0.433 701 Q N -0.961 118.848 119.800 0.017 0.000 2.501 701 Q HA 0.396 4.737 4.340 0.002 0.000 0.288 701 Q C -0.486 175.504 176.000 -0.016 0.000 1.051 701 Q CA -0.449 55.395 55.803 0.067 0.000 0.788 701 Q CB 2.571 31.331 28.738 0.037 0.000 1.469 701 Q HN 0.150 nan 8.270 nan 0.000 0.416 702 I N -0.558 120.117 120.570 0.173 0.000 5.242 702 I HA 0.156 4.327 4.170 0.002 0.000 0.360 702 I C -1.265 175.037 176.117 0.308 0.000 1.201 702 I CA 0.252 61.660 61.300 0.180 0.000 1.527 702 I CB 1.708 39.766 38.000 0.097 0.000 1.769 702 I HN 0.316 nan 8.210 nan 0.000 0.603 703 V N 1.971 122.001 119.914 0.193 0.000 2.577 703 V HA 0.531 4.652 4.120 0.002 0.000 0.303 703 V C -1.103 174.709 176.094 -0.469 0.000 1.042 703 V CA -0.608 61.631 62.300 -0.102 0.000 0.872 703 V CB 1.689 33.404 31.823 -0.181 0.000 0.998 703 V HN 0.212 nan 8.190 nan 0.000 0.423 704 N N 2.504 120.776 118.700 -0.714 0.000 2.295 704 N HA 0.737 5.478 4.740 0.002 0.000 0.293 704 N C -0.984 174.121 175.510 -0.675 0.000 1.040 704 N CA -0.380 52.098 53.050 -0.953 0.000 0.840 704 N CB 2.275 39.777 38.487 -1.640 0.000 1.468 704 N HN 0.673 nan 8.380 nan 0.000 0.478 705 V N 0.116 119.664 119.914 -0.611 0.000 2.864 705 V HA 0.724 4.845 4.120 0.002 0.000 0.314 705 V C 0.065 176.010 176.094 -0.248 0.000 1.073 705 V CA -0.871 61.237 62.300 -0.320 0.000 0.956 705 V CB 1.600 33.315 31.823 -0.180 0.000 1.023 705 V HN 0.731 nan 8.190 nan 0.000 0.435 706 D N 2.890 123.212 120.400 -0.130 0.000 2.403 706 D HA 0.246 4.887 4.640 0.002 0.000 0.278 706 D C 1.200 177.494 176.300 -0.010 0.000 1.230 706 D CA 0.280 54.228 54.000 -0.086 0.000 1.062 706 D CB 0.194 40.958 40.800 -0.060 0.000 1.119 706 D HN 0.682 nan 8.370 nan 0.000 0.557 707 S N -1.683 114.025 115.700 0.013 0.000 2.486 707 S HA -0.028 4.443 4.470 0.002 0.000 0.220 707 S C 1.738 176.387 174.600 0.083 0.000 1.011 707 S CA 0.443 58.681 58.200 0.063 0.000 0.921 707 S CB -0.516 62.714 63.200 0.050 0.000 0.785 707 S HN 0.568 nan 8.310 nan 0.000 0.517 708 S N 1.073 116.808 115.700 0.058 0.000 2.503 708 S HA 0.209 4.680 4.470 0.002 0.000 0.217 708 S C 0.736 175.386 174.600 0.083 0.000 0.999 708 S CA -0.298 57.938 58.200 0.061 0.000 0.914 708 S CB -0.424 62.797 63.200 0.034 0.000 0.782 708 S HN 0.231 nan 8.310 nan 0.000 0.520 709 S N 3.102 118.858 115.700 0.094 0.000 2.546 709 S HA 0.117 4.588 4.470 0.002 0.000 0.290 709 S C -0.229 174.466 174.600 0.159 0.000 1.290 709 S CA 0.007 58.272 58.200 0.108 0.000 1.069 709 S CB 0.408 63.658 63.200 0.084 0.000 0.846 709 S HN 0.589 nan 8.310 nan 0.000 0.495 710 D N 3.372 123.861 120.400 0.148 0.000 2.494 710 D HA 0.376 5.017 4.640 0.002 0.000 0.217 710 D C -0.478 175.906 176.300 0.140 0.000 1.153 710 D CA -0.215 53.877 54.000 0.154 0.000 0.954 710 D CB -0.224 40.668 40.800 0.153 0.000 1.034 710 D HN 0.433 nan 8.370 nan 0.000 0.518 711 I N 1.558 122.246 120.570 0.196 0.000 2.730 711 I HA 0.776 4.947 4.170 0.002 0.000 0.298 711 I C -1.580 174.681 176.117 0.240 0.000 1.089 711 I CA -0.825 60.560 61.300 0.142 0.000 1.041 711 I CB 1.863 39.915 38.000 0.087 0.000 1.235 711 I HN 0.377 nan 8.210 nan 0.000 0.423 712 A N 5.945 128.815 122.820 0.084 0.000 2.449 712 A HA 0.770 5.091 4.320 0.002 0.000 0.302 712 A C -1.823 175.678 177.584 -0.139 0.000 1.048 712 A CA -0.362 51.747 52.037 0.120 0.000 0.708 712 A CB 0.997 20.083 19.000 0.145 0.000 1.274 712 A HN 0.572 nan 8.150 nan 0.000 0.410 713 F N 1.014 120.896 119.950 -0.113 0.000 2.458 713 F HA 0.625 5.153 4.527 0.002 0.000 0.336 713 F C -0.716 174.745 175.800 -0.566 0.000 1.114 713 F CA -0.093 57.797 58.000 -0.184 0.000 0.987 713 F CB 1.728 40.674 39.000 -0.089 0.000 1.130 713 F HN 0.508 nan 8.300 nan 0.000 0.458 714 Y N 0.511 120.916 120.300 0.176 0.000 2.409 714 Y HA 0.369 4.920 4.550 0.002 0.000 0.343 714 Y C 0.602 176.451 175.900 -0.085 0.000 0.973 714 Y CA -1.388 56.723 58.100 0.018 0.000 1.064 714 Y CB 2.071 40.505 38.460 -0.043 0.000 1.207 714 Y HN 0.628 nan 8.280 nan 0.000 0.452 715 S N 2.181 117.909 115.700 0.046 0.000 3.628 715 S HA -0.195 4.276 4.470 0.002 0.000 0.373 715 S C -0.698 173.899 174.600 -0.005 0.000 0.968 715 S CA -0.098 58.111 58.200 0.015 0.000 1.215 715 S CB -0.971 62.200 63.200 -0.049 0.000 0.912 715 S HN 0.540 nan 8.310 nan 0.000 0.495 716 L N 3.300 124.516 121.223 -0.011 0.000 2.295 716 L HA 0.569 4.910 4.340 0.002 0.000 0.288 716 L C 0.264 177.094 176.870 -0.066 0.000 1.079 716 L CA 0.502 55.289 54.840 -0.087 0.000 0.830 716 L CB 0.788 42.793 42.059 -0.090 0.000 1.200 716 L HN 0.264 nan 8.230 nan 0.000 0.438 717 T N 3.783 118.298 114.554 -0.065 0.000 2.824 717 T HA 0.678 5.029 4.350 0.002 0.000 0.280 717 T C 0.020 174.769 174.700 0.082 0.000 0.995 717 T CA -0.257 61.884 62.100 0.068 0.000 1.009 717 T CB 1.194 70.200 68.868 0.230 0.000 0.955 717 T HN 0.784 nan 8.240 nan 0.000 0.452 718 T N -0.553 114.062 114.554 0.102 0.000 2.916 718 T HA 0.781 5.132 4.350 0.002 0.000 0.292 718 T C -0.829 173.917 174.700 0.077 0.000 1.055 718 T CA -0.744 61.441 62.100 0.141 0.000 1.009 718 T CB 1.363 70.284 68.868 0.088 0.000 1.118 718 T HN 0.287 nan 8.240 nan 0.000 0.497 719 V N 2.158 122.113 119.914 0.068 0.000 2.540 719 V HA 0.417 4.538 4.120 0.002 0.000 0.302 719 V C -0.631 175.299 176.094 -0.273 0.000 1.035 719 V CA -0.595 61.567 62.300 -0.230 0.000 0.873 719 V CB 1.267 32.788 31.823 -0.503 0.000 0.992 719 V HN 1.132 nan 8.190 nan 0.000 0.428 720 D N 2.369 122.581 120.400 -0.315 0.000 2.689 720 D HA -0.137 4.504 4.640 0.002 0.000 0.237 720 D C 0.186 176.373 176.300 -0.189 0.000 1.148 720 D CA 1.297 55.132 54.000 -0.276 0.000 0.656 720 D CB -0.909 39.711 40.800 -0.302 0.000 1.050 720 D HN 0.674 nan 8.370 nan 0.000 0.426 721 T N -1.184 113.276 114.554 -0.156 0.000 2.921 721 T HA 0.356 4.707 4.350 0.002 0.000 0.297 721 T C 1.361 175.977 174.700 -0.139 0.000 1.013 721 T CA -0.562 61.473 62.100 -0.107 0.000 0.990 721 T CB 2.106 70.947 68.868 -0.046 0.000 1.023 721 T HN -0.146 nan 8.240 nan 0.000 0.447 722 T N 1.311 115.769 114.554 -0.160 0.000 2.701 722 T HA -0.031 4.320 4.350 0.002 0.000 0.263 722 T C 0.167 174.544 174.700 -0.538 0.000 1.040 722 T CA 1.216 63.103 62.100 -0.355 0.000 1.147 722 T CB -0.064 68.591 68.868 -0.355 0.000 0.865 722 T HN 0.590 nan 8.240 nan 0.000 0.426 723 W N 2.532 123.803 121.300 -0.048 0.000 2.298 723 W HA 0.436 5.097 4.660 0.002 0.000 0.327 723 W C 1.078 177.573 176.519 -0.039 0.000 0.988 723 W CA -0.862 56.458 57.345 -0.041 0.000 1.448 723 W CB 0.281 29.720 29.460 -0.035 0.000 1.243 723 W HN 0.194 nan 8.180 nan 0.000 0.388 724 Q N 1.628 121.486 119.800 0.096 0.000 2.364 724 Q HA -0.100 4.241 4.340 0.002 0.000 0.209 724 Q C -0.014 176.052 176.000 0.111 0.000 0.977 724 Q CA 0.970 56.812 55.803 0.065 0.000 0.885 724 Q CB 0.223 28.953 28.738 -0.012 0.000 0.941 724 Q HN 0.436 nan 8.270 nan 0.000 0.464 725 F N -0.446 119.462 119.950 -0.069 0.000 2.622 725 F HA 0.325 4.853 4.527 0.002 0.000 0.318 725 F C -1.438 174.257 175.800 -0.174 0.000 1.135 725 F CA -0.621 57.234 58.000 -0.241 0.000 1.015 725 F CB 1.909 40.627 39.000 -0.469 0.000 1.275 725 F HN -0.371 nan 8.300 nan 0.000 0.457 726 S N 3.369 118.524 115.700 -0.908 0.000 2.548 726 S HA 0.832 5.303 4.470 0.002 0.000 0.286 726 S C -1.553 172.565 174.600 -0.804 0.000 1.098 726 S CA -0.766 57.081 58.200 -0.588 0.000 0.930 726 S CB 2.274 65.299 63.200 -0.291 0.000 1.070 726 S HN 0.460 nan 8.310 nan 0.000 0.480 727 V N 2.604 122.254 119.914 -0.439 0.000 2.487 727 V HA 0.396 4.517 4.120 0.002 0.000 0.298 727 V C -0.079 175.876 176.094 -0.231 0.000 1.028 727 V CA -0.911 61.198 62.300 -0.320 0.000 0.860 727 V CB 1.101 32.874 31.823 -0.084 0.000 0.991 727 V HN 1.076 nan 8.190 nan 0.000 0.427 728 N N 3.768 122.331 118.700 -0.228 0.000 2.701 728 N HA -0.268 4.473 4.740 0.002 0.000 0.250 728 N C 0.784 176.204 175.510 -0.149 0.000 1.046 728 N CA 0.725 53.671 53.050 -0.173 0.000 0.733 728 N CB -0.632 37.794 38.487 -0.102 0.000 0.973 728 N HN 1.503 nan 8.380 nan 0.000 0.541 729 A N -2.412 120.300 122.820 -0.180 0.000 2.899 729 A HA -0.275 4.046 4.320 0.002 0.000 0.257 729 A C 0.132 177.677 177.584 -0.065 0.000 1.335 729 A CA 1.194 53.224 52.037 -0.012 0.000 0.924 729 A CB -0.846 18.226 19.000 0.120 0.000 1.105 729 A HN 0.417 nan 8.150 nan 0.000 0.765 730 Q N -0.017 119.685 119.800 -0.163 0.000 2.307 730 Q HA 0.505 4.846 4.340 0.002 0.000 0.262 730 Q C 0.577 176.355 176.000 -0.370 0.000 0.961 730 Q CA 0.435 56.086 55.803 -0.253 0.000 0.882 730 Q CB 1.488 30.102 28.738 -0.207 0.000 1.264 730 Q HN 0.912 nan 8.270 nan 0.000 0.446 731 G N 1.118 109.529 108.800 -0.647 0.000 2.353 731 G HA2 0.266 4.227 3.960 0.002 0.000 0.239 731 G HA3 0.266 4.227 3.960 0.002 0.000 0.239 731 G C 0.527 175.050 174.900 -0.628 0.000 1.295 731 G CA -0.218 44.400 45.100 -0.804 0.000 0.884 731 G HN 0.450 nan 8.290 nan 0.000 0.537 732 V N 3.107 122.965 119.914 -0.093 0.000 2.996 732 V HA 0.231 4.352 4.120 0.002 0.000 0.235 732 V C 0.898 177.198 176.094 0.344 0.000 1.205 732 V CA 0.586 62.948 62.300 0.105 0.000 1.225 732 V CB -0.075 31.860 31.823 0.186 0.000 0.995 732 V HN 0.586 nan 8.190 nan 0.000 0.484 733 I N 1.909 122.695 120.570 0.360 0.000 2.355 733 I HA 0.333 4.505 4.170 0.002 0.000 0.288 733 I C -0.335 175.921 176.117 0.232 0.000 0.999 733 I CA -0.082 61.314 61.300 0.160 0.000 1.163 733 I CB 1.082 38.896 38.000 -0.309 0.000 1.316 733 I HN 0.157 nan 8.210 nan 0.000 0.454 734 N N 5.653 124.384 118.700 0.052 0.000 2.499 734 N HA 0.127 4.868 4.740 0.002 0.000 0.281 734 N C 1.251 176.612 175.510 -0.249 0.000 1.098 734 N CA -0.374 52.431 53.050 -0.409 0.000 0.979 734 N CB 1.421 39.509 38.487 -0.665 0.000 1.121 734 N HN 0.640 nan 8.380 nan 0.000 0.466 735 R N 1.407 121.735 120.500 -0.286 0.000 2.170 735 R HA -0.170 4.171 4.340 0.002 0.000 0.242 735 R C 1.728 177.941 176.300 -0.145 0.000 1.145 735 R CA 2.072 58.063 56.100 -0.182 0.000 0.984 735 R CB -0.569 29.615 30.300 -0.193 0.000 0.869 735 R HN 0.568 nan 8.270 nan 0.000 0.455 736 S N 0.623 116.212 115.700 -0.185 0.000 2.440 736 S HA -0.173 4.298 4.470 0.002 0.000 0.238 736 S C 1.317 175.879 174.600 -0.063 0.000 1.010 736 S CA 1.523 59.644 58.200 -0.133 0.000 0.972 736 S CB -0.539 62.565 63.200 -0.159 0.000 0.774 736 S HN 0.639 nan 8.310 nan 0.000 0.501 737 N N 1.725 120.413 118.700 -0.020 0.000 2.463 737 N HA 0.138 4.879 4.740 0.002 0.000 0.181 737 N C 0.012 175.582 175.510 0.099 0.000 1.078 737 N CA 0.521 53.611 53.050 0.067 0.000 0.902 737 N CB 0.076 38.670 38.487 0.178 0.000 0.970 737 N HN 0.452 nan 8.380 nan 0.000 0.451 738 N N 0.528 119.262 118.700 0.057 0.000 2.553 738 N HA 0.162 4.903 4.740 0.002 0.000 0.298 738 N C -2.884 172.647 175.510 0.035 0.000 1.596 738 N CA -0.739 52.358 53.050 0.079 0.000 0.910 738 N CB 0.985 39.532 38.487 0.099 0.000 1.336 738 N HN 0.170 nan 8.380 nan 0.000 0.497 739 P HA 0.142 nan 4.420 nan 0.000 0.271 739 P C 0.047 177.366 177.300 0.031 0.000 1.216 739 P CA 0.117 63.211 63.100 -0.010 0.000 0.776 739 P CB 0.967 32.647 31.700 -0.033 0.000 0.881 740 N N 0.810 119.531 118.700 0.035 0.000 2.453 740 N HA 0.286 5.027 4.740 0.002 0.000 0.267 740 N C 0.348 175.927 175.510 0.114 0.000 1.482 740 N CA 0.563 53.662 53.050 0.082 0.000 0.841 740 N CB 0.410 38.960 38.487 0.104 0.000 1.408 740 N HN 0.695 nan 8.380 nan 0.000 0.490 741 G N 0.669 109.520 108.800 0.085 0.000 2.594 741 G HA2 -0.285 3.677 3.960 0.002 0.000 0.217 741 G HA3 -0.285 3.677 3.960 0.002 0.000 0.217 741 G C 0.541 175.495 174.900 0.089 0.000 1.163 741 G CA -0.103 45.074 45.100 0.128 0.000 1.074 741 G HN 0.159 nan 8.290 nan 0.000 0.589 742 F N 2.519 122.451 119.950 -0.030 0.000 2.186 742 F HA 0.492 5.020 4.527 0.002 0.000 0.299 742 F C 1.860 177.461 175.800 -0.331 0.000 1.090 742 F CA 2.539 60.439 58.000 -0.167 0.000 1.307 742 F CB -0.227 38.679 39.000 -0.156 0.000 1.019 742 F HN 0.860 nan 8.300 nan 0.000 0.489 743 A N -0.519 122.197 122.820 -0.172 0.000 2.282 743 A HA 0.485 4.806 4.320 0.002 0.000 0.324 743 A C -1.236 176.301 177.584 -0.079 0.000 1.119 743 A CA -0.701 51.194 52.037 -0.237 0.000 0.880 743 A CB 0.476 19.334 19.000 -0.237 0.000 1.294 743 A HN 0.179 nan 8.150 nan 0.000 0.493 744 D N 0.664 121.031 120.400 -0.055 0.000 2.505 744 D HA 0.522 5.163 4.640 0.002 0.000 0.249 744 D C -1.145 175.173 176.300 0.030 0.000 1.082 744 D CA 0.126 54.114 54.000 -0.021 0.000 0.839 744 D CB 1.894 42.652 40.800 -0.069 0.000 1.317 744 D HN 0.336 nan 8.370 nan 0.000 0.497 745 T N 1.769 116.360 114.554 0.062 0.000 2.812 745 T HA 0.443 4.794 4.350 0.002 0.000 0.282 745 T C 0.414 175.163 174.700 0.081 0.000 0.990 745 T CA -0.490 61.658 62.100 0.080 0.000 0.960 745 T CB 1.065 70.008 68.868 0.126 0.000 0.948 745 T HN 0.172 nan 8.240 nan 0.000 0.438 746 I N 3.093 123.687 120.570 0.040 0.000 2.301 746 I HA 0.157 4.329 4.170 0.002 0.000 0.292 746 I C 1.623 177.786 176.117 0.077 0.000 1.046 746 I CA -0.216 61.118 61.300 0.058 0.000 1.282 746 I CB 1.251 39.188 38.000 -0.104 0.000 1.409 746 I HN 0.691 nan 8.210 nan 0.000 0.484 747 T N 4.871 119.495 114.554 0.117 0.000 2.777 747 T HA 0.018 4.369 4.350 0.002 0.000 0.266 747 T C 0.626 175.376 174.700 0.083 0.000 1.040 747 T CA 1.182 63.334 62.100 0.087 0.000 1.141 747 T CB 0.089 68.988 68.868 0.052 0.000 0.868 747 T HN 0.708 nan 8.240 nan 0.000 0.444 748 A N -0.328 122.516 122.820 0.040 0.000 2.520 748 A HA 0.600 4.921 4.320 0.002 0.000 0.298 748 A C -2.232 175.298 177.584 -0.090 0.000 1.051 748 A CA -0.771 51.206 52.037 -0.100 0.000 0.690 748 A CB 1.193 20.186 19.000 -0.013 0.000 1.281 748 A HN 0.425 nan 8.150 nan 0.000 0.402 749 W N 2.303 123.365 121.300 -0.397 0.000 2.900 749 W HA 0.611 5.273 4.660 0.002 0.000 0.336 749 W C -0.300 176.038 176.519 -0.303 0.000 1.064 749 W CA 0.047 57.163 57.345 -0.381 0.000 1.237 749 W CB 2.050 31.119 29.460 -0.652 0.000 1.391 749 W HN 1.009 nan 8.180 nan 0.000 0.468 750 T N 1.966 115.938 114.554 -0.969 0.000 2.916 750 T HA 0.350 4.701 4.350 0.002 0.000 0.292 750 T C 0.626 174.366 174.700 -1.599 0.000 1.064 750 T CA -0.759 60.755 62.100 -0.978 0.000 1.011 750 T CB 2.075 70.715 68.868 -0.380 0.000 1.152 750 T HN 0.536 nan 8.240 nan 0.000 0.510 751 R N 1.200 121.090 120.500 -1.016 0.000 2.096 751 R HA 0.015 4.356 4.340 0.002 0.000 0.240 751 R C 0.552 176.684 176.300 -0.280 0.000 1.139 751 R CA 1.709 57.484 56.100 -0.542 0.000 0.952 751 R CB -0.444 29.799 30.300 -0.094 0.000 0.854 751 R HN 0.734 nan 8.270 nan 0.000 0.436 752 N N 0.000 118.590 118.700 -0.183 0.000 1.763 752 N HA 0.000 4.741 4.740 0.002 0.000 0.220 752 N CA 0.000 53.011 53.050 -0.066 0.000 0.885 752 N CB 0.000 38.462 38.487 -0.041 0.000 1.341 752 N HN 0.000 nan 8.380 nan 0.000 0.667