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 2p88_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKITAIHLYA IRLPLRNPFV ISYGSYSDMP SIIVKMETDE GIIGYGEGVA DATA SEQUENCE DDHVTGESWE STFHTLKHTL TPALIGQNPM NIEKIHDMMD NTIYGVPTAK DATA SEQUENCE AAIDIACFDI MGKKLNQPVY QLIGGRYHEE FPVTHVLSIA DPENMAEEAA DATA SEQUENCE SMIQKGYQSF KMKVGTNVKE DVKRIEAVRE RVGNDIAIRV DVNQGWKNSA DATA SEQUENCE NTLTALRSLG HLNIDWIEQP VIADDIDAMA HIRSKTDLPL MIDEGLKSSR DATA SEQUENCE EMRQIIKLEA ADKVNIKLMK CGGIYPAVKL AHQAEMAGIE CQVGSMVESS DATA SEQUENCE VASSAGFHVA FSKKIITSVE LTGPLKFTKD IGNLHYDVPF IRLNEKPGLG DATA SEQUENCE IEINEDTLQE LTVFQDIVR 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.271 176.300 -0.048 0.000 1.140 1 M CA 0.000 55.274 55.300 -0.043 0.000 0.988 1 M CB 0.000 32.570 32.600 -0.050 0.000 1.302 2 K N 3.452 123.824 120.400 -0.046 0.000 2.464 2 K HA 0.617 4.937 4.320 -0.000 0.000 0.253 2 K C -1.345 175.222 176.600 -0.054 0.000 0.933 2 K CA -0.724 55.533 56.287 -0.050 0.000 0.801 2 K CB 2.636 35.111 32.500 -0.043 0.000 1.271 2 K HN 0.599 nan 8.250 nan 0.000 0.430 3 I N 2.611 123.143 120.570 -0.063 0.000 2.471 3 I HA -0.035 4.135 4.170 -0.000 0.000 0.286 3 I C 1.503 177.581 176.117 -0.066 0.000 1.079 3 I CA 0.273 61.532 61.300 -0.068 0.000 1.398 3 I CB 1.021 38.973 38.000 -0.080 0.000 1.403 3 I HN 0.860 nan 8.210 nan 0.000 0.530 4 T N 2.121 116.638 114.554 -0.063 0.000 3.034 4 T HA 0.468 4.818 4.350 -0.000 0.000 0.248 4 T C 0.460 175.109 174.700 -0.085 0.000 1.040 4 T CA 0.149 62.212 62.100 -0.062 0.000 1.107 4 T CB 0.511 69.351 68.868 -0.045 0.000 0.932 4 T HN 0.653 nan 8.240 nan 0.000 0.474 5 A N 0.304 123.063 122.820 -0.102 0.000 2.612 5 A HA 0.736 5.056 4.320 -0.000 0.000 0.293 5 A C -1.865 175.608 177.584 -0.185 0.000 1.075 5 A CA -0.984 50.952 52.037 -0.169 0.000 0.680 5 A CB 1.046 19.921 19.000 -0.210 0.000 1.279 5 A HN 0.384 nan 8.150 nan 0.000 0.411 6 I N 2.474 122.885 120.570 -0.264 0.000 2.500 6 I HA 0.318 4.488 4.170 -0.000 0.000 0.286 6 I C -0.842 175.088 176.117 -0.313 0.000 1.063 6 I CA -0.443 60.728 61.300 -0.214 0.000 1.062 6 I CB 1.870 39.767 38.000 -0.170 0.000 1.223 6 I HN 0.658 nan 8.210 nan 0.000 0.435 7 H N 6.377 125.343 119.070 -0.173 0.000 2.502 7 H HA 0.454 5.010 4.556 -0.000 0.000 0.327 7 H C -0.868 174.232 175.328 -0.379 0.000 1.099 7 H CA -0.674 55.194 56.048 -0.300 0.000 1.323 7 H CB 2.267 31.862 29.762 -0.278 0.000 1.450 7 H HN 0.174 nan 8.280 nan 0.000 0.502 8 L N 4.433 125.438 121.223 -0.363 0.000 2.325 8 L HA 0.271 4.611 4.340 -0.000 0.000 0.281 8 L C -0.747 175.986 176.870 -0.228 0.000 1.004 8 L CA -0.665 54.041 54.840 -0.223 0.000 0.823 8 L CB 0.527 42.411 42.059 -0.293 0.000 1.236 8 L HN 0.582 nan 8.230 nan 0.000 0.415 9 Y N 1.434 121.822 120.300 0.146 0.000 2.328 9 Y HA 0.601 5.151 4.550 -0.000 0.000 0.333 9 Y C 0.545 176.421 175.900 -0.040 0.000 0.958 9 Y CA -0.865 57.268 58.100 0.056 0.000 1.167 9 Y CB 1.815 40.306 38.460 0.052 0.000 1.151 9 Y HN 0.655 nan 8.280 nan 0.000 0.470 10 A N 6.165 128.835 122.820 -0.251 0.000 2.391 10 A HA 0.604 4.924 4.320 -0.000 0.000 0.316 10 A C 0.025 177.598 177.584 -0.020 0.000 1.381 10 A CA -0.423 51.330 52.037 -0.474 0.000 0.998 10 A CB -0.823 16.899 19.000 -2.131 0.000 1.147 10 A HN 0.833 nan 8.150 nan 0.000 0.545 11 I N -0.798 119.909 120.570 0.230 0.000 3.205 11 I HA 0.814 4.984 4.170 -0.000 0.000 0.310 11 I C -0.227 175.893 176.117 0.006 0.000 1.089 11 I CA -1.407 59.961 61.300 0.114 0.000 1.023 11 I CB 1.785 39.795 38.000 0.018 0.000 1.269 11 I HN 0.432 nan 8.210 nan 0.000 0.512 12 R N 2.390 122.815 120.500 -0.124 0.000 2.502 12 R HA 0.534 4.874 4.340 -0.000 0.000 0.298 12 R C -1.665 174.482 176.300 -0.255 0.000 1.018 12 R CA -0.654 55.292 56.100 -0.256 0.000 0.899 12 R CB 2.041 32.190 30.300 -0.252 0.000 1.181 12 R HN 0.581 nan 8.270 nan 0.000 0.444 13 L N 5.381 126.379 121.223 -0.374 0.000 2.278 13 L HA 0.361 4.701 4.340 -0.000 0.000 0.287 13 L C -1.858 174.808 176.870 -0.339 0.000 1.072 13 L CA -1.870 52.623 54.840 -0.579 0.000 0.819 13 L CB 0.807 42.061 42.059 -1.342 0.000 1.176 13 L HN 0.262 nan 8.230 nan 0.000 0.435 14 P HA 0.126 nan 4.420 nan 0.000 0.271 14 P C -0.865 176.540 177.300 0.175 0.000 1.220 14 P CA -0.093 63.010 63.100 0.004 0.000 0.768 14 P CB 1.071 32.768 31.700 -0.006 0.000 0.848 15 L N 3.936 125.267 121.223 0.180 0.000 2.309 15 L HA 0.393 4.733 4.340 -0.000 0.000 0.282 15 L C 2.256 179.188 176.870 0.104 0.000 1.036 15 L CA -0.691 54.264 54.840 0.191 0.000 0.806 15 L CB 1.602 43.759 42.059 0.163 0.000 1.220 15 L HN 0.391 nan 8.230 nan 0.000 0.429 16 R N 2.059 122.603 120.500 0.075 0.000 2.105 16 R HA -0.079 4.261 4.340 -0.000 0.000 0.239 16 R C -0.210 176.120 176.300 0.050 0.000 1.135 16 R CA 1.401 57.532 56.100 0.051 0.000 0.967 16 R CB 0.187 30.506 30.300 0.031 0.000 0.861 16 R HN 0.729 nan 8.270 nan 0.000 0.442 17 N N -1.008 117.726 118.700 0.058 0.000 2.329 17 N HA 0.315 5.055 4.740 -0.000 0.000 0.282 17 N C -2.880 172.688 175.510 0.097 0.000 1.198 17 N CA -1.588 51.501 53.050 0.065 0.000 0.790 17 N CB 2.046 40.568 38.487 0.058 0.000 1.579 17 N HN -0.140 nan 8.380 nan 0.000 0.475 18 P HA 0.046 nan 4.420 nan 0.000 0.267 18 P C -1.175 176.228 177.300 0.172 0.000 1.209 18 P CA 0.069 63.242 63.100 0.122 0.000 0.763 18 P CB 0.159 31.897 31.700 0.064 0.000 0.816 19 F N 5.581 125.574 119.950 0.071 0.000 2.413 19 F HA 0.294 4.821 4.527 -0.000 0.000 0.359 19 F C -0.577 175.279 175.800 0.092 0.000 1.122 19 F CA -0.562 57.473 58.000 0.059 0.000 1.160 19 F CB 0.404 39.438 39.000 0.057 0.000 1.146 19 F HN -0.009 nan 8.300 nan 0.000 0.514 20 V N 8.427 128.094 119.914 -0.413 0.000 2.417 20 V HA 0.501 4.621 4.120 -0.000 0.000 0.291 20 V C 0.259 176.009 176.094 -0.574 0.000 1.024 20 V CA -0.638 61.428 62.300 -0.390 0.000 0.861 20 V CB 1.093 32.783 31.823 -0.222 0.000 0.985 20 V HN 0.718 nan 8.190 nan 0.000 0.436 21 I N 1.091 121.360 120.570 -0.502 0.000 3.457 21 I HA 0.590 4.760 4.170 -0.000 0.000 0.307 21 I C 1.320 177.176 176.117 -0.435 0.000 1.138 21 I CA -0.571 60.418 61.300 -0.519 0.000 0.974 21 I CB 1.750 39.376 38.000 -0.623 0.000 1.324 21 I HN 0.405 nan 8.210 nan 0.000 0.485 22 S N 0.540 115.973 115.700 -0.445 0.000 2.365 22 S HA -0.214 4.256 4.470 -0.000 0.000 0.225 22 S C 1.284 175.742 174.600 -0.237 0.000 1.039 22 S CA 2.231 60.252 58.200 -0.298 0.000 1.033 22 S CB -0.619 62.450 63.200 -0.219 0.000 0.887 22 S HN 0.744 nan 8.310 nan 0.000 0.447 23 Y N -0.275 119.924 120.300 -0.169 0.000 2.708 23 Y HA 0.699 5.248 4.550 -0.000 0.000 0.287 23 Y C 0.410 176.102 175.900 -0.346 0.000 1.145 23 Y CA -0.745 57.202 58.100 -0.255 0.000 1.249 23 Y CB -0.350 37.914 38.460 -0.327 0.000 1.152 23 Y HN 0.245 nan 8.280 nan 0.000 0.532 24 G N -0.646 108.004 108.800 -0.249 0.000 2.347 24 G HA2 0.341 4.300 3.960 -0.000 0.000 0.303 24 G HA3 0.341 4.300 3.960 -0.000 0.000 0.303 24 G C -1.919 172.763 174.900 -0.363 0.000 1.481 24 G CA -0.674 44.260 45.100 -0.277 0.000 0.914 24 G HN 0.238 nan 8.290 nan 0.000 0.638 25 S N -0.741 114.714 115.700 -0.408 0.000 2.500 25 S HA 0.823 5.293 4.470 -0.000 0.000 0.301 25 S C -1.438 172.917 174.600 -0.409 0.000 1.092 25 S CA -0.586 57.436 58.200 -0.295 0.000 1.030 25 S CB 0.897 64.003 63.200 -0.157 0.000 1.031 25 S HN 0.551 nan 8.310 nan 0.000 0.483 26 Y N 2.130 122.473 120.300 0.072 0.000 2.331 26 Y HA 0.303 4.853 4.550 -0.000 0.000 0.334 26 Y C 1.371 177.331 175.900 0.099 0.000 0.960 26 Y CA -0.703 57.466 58.100 0.116 0.000 1.130 26 Y CB 2.020 40.602 38.460 0.203 0.000 1.164 26 Y HN 0.760 nan 8.280 nan 0.000 0.458 27 S N -0.209 115.602 115.700 0.185 0.000 2.486 27 S HA 0.077 4.547 4.470 -0.000 0.000 0.220 27 S C 0.121 174.797 174.600 0.126 0.000 1.011 27 S CA 0.723 58.997 58.200 0.123 0.000 0.921 27 S CB 0.008 63.248 63.200 0.065 0.000 0.785 27 S HN 0.780 nan 8.310 nan 0.000 0.517 28 D N -0.348 120.138 120.400 0.143 0.000 2.768 28 D HA 0.495 5.134 4.640 -0.000 0.000 0.327 28 D C -1.367 174.987 176.300 0.090 0.000 1.302 28 D CA -0.692 53.366 54.000 0.097 0.000 0.897 28 D CB 0.774 41.577 40.800 0.004 0.000 1.420 28 D HN 0.109 nan 8.370 nan 0.000 0.494 29 M N 0.292 119.887 119.600 -0.007 0.000 2.090 29 M HA 0.463 4.943 4.480 -0.000 0.000 0.277 29 M C -2.919 173.237 176.300 -0.240 0.000 0.935 29 M CA -1.646 53.615 55.300 -0.064 0.000 0.966 29 M CB 2.150 34.793 32.600 0.071 0.000 1.635 29 M HN 0.038 nan 8.290 nan 0.000 0.446 30 P HA 0.314 nan 4.420 nan 0.000 0.268 30 P C -1.247 175.842 177.300 -0.353 0.000 1.205 30 P CA -0.119 62.512 63.100 -0.782 0.000 0.771 30 P CB 1.045 31.997 31.700 -1.247 0.000 0.858 31 S N 2.535 118.169 115.700 -0.109 0.000 2.570 31 S HA 0.634 5.104 4.470 -0.000 0.000 0.270 31 S C -1.632 173.192 174.600 0.373 0.000 1.149 31 S CA -0.677 57.622 58.200 0.165 0.000 0.837 31 S CB 0.644 63.858 63.200 0.023 0.000 1.124 31 S HN 0.109 nan 8.310 nan 0.000 0.465 32 I N 4.099 124.841 120.570 0.287 0.000 2.406 32 I HA 0.487 4.657 4.170 -0.000 0.000 0.290 32 I C -0.641 175.592 176.117 0.195 0.000 0.999 32 I CA -0.699 60.745 61.300 0.240 0.000 1.124 32 I CB 1.431 39.553 38.000 0.202 0.000 1.289 32 I HN 0.567 nan 8.210 nan 0.000 0.441 33 I N 6.884 127.594 120.570 0.233 0.000 2.493 33 I HA 0.465 4.635 4.170 -0.000 0.000 0.298 33 I C 0.066 176.373 176.117 0.317 0.000 0.998 33 I CA -0.877 60.579 61.300 0.260 0.000 1.137 33 I CB 1.996 40.150 38.000 0.256 0.000 1.310 33 I HN 0.272 nan 8.210 nan 0.000 0.445 34 V N 3.174 123.235 119.914 0.246 0.000 2.604 34 V HA 0.629 4.749 4.120 -0.000 0.000 0.305 34 V C -0.584 175.583 176.094 0.122 0.000 1.043 34 V CA -0.798 61.602 62.300 0.166 0.000 0.888 34 V CB 2.114 33.968 31.823 0.051 0.000 0.995 34 V HN 0.839 nan 8.190 nan 0.000 0.429 35 K N 5.061 125.516 120.400 0.092 0.000 2.394 35 K HA 0.591 4.911 4.320 -0.000 0.000 0.260 35 K C -1.136 175.426 176.600 -0.062 0.000 0.967 35 K CA -0.713 55.473 56.287 -0.169 0.000 0.855 35 K CB 1.766 34.204 32.500 -0.104 0.000 1.101 35 K HN 0.998 nan 8.250 nan 0.000 0.433 36 M N 4.169 123.681 119.600 -0.147 0.000 2.129 36 M HA 0.241 4.720 4.480 -0.000 0.000 0.348 36 M C -1.013 175.241 176.300 -0.077 0.000 1.116 36 M CA -0.189 55.059 55.300 -0.087 0.000 1.022 36 M CB 1.067 33.614 32.600 -0.088 0.000 1.599 36 M HN 0.520 nan 8.290 nan 0.000 0.449 37 E N 2.614 122.791 120.200 -0.039 0.000 2.204 37 E HA 0.473 4.822 4.350 -0.000 0.000 0.276 37 E C -0.647 175.928 176.600 -0.041 0.000 0.974 37 E CA -0.612 55.773 56.400 -0.025 0.000 0.815 37 E CB 1.788 31.499 29.700 0.018 0.000 1.119 37 E HN 0.682 nan 8.360 nan 0.000 0.393 38 T N -1.713 112.819 114.554 -0.036 0.000 2.924 38 T HA 0.142 4.492 4.350 -0.000 0.000 0.291 38 T C 0.648 175.330 174.700 -0.030 0.000 1.045 38 T CA -0.892 61.184 62.100 -0.040 0.000 1.015 38 T CB 1.293 70.135 68.868 -0.043 0.000 1.103 38 T HN 0.460 nan 8.240 nan 0.000 0.496 39 D N 0.043 120.424 120.400 -0.031 0.000 2.351 39 D HA -0.131 4.508 4.640 -0.000 0.000 0.216 39 D C 0.946 177.234 176.300 -0.020 0.000 0.968 39 D CA 0.855 54.840 54.000 -0.025 0.000 0.899 39 D CB -0.239 40.545 40.800 -0.026 0.000 0.907 39 D HN 0.830 nan 8.370 nan 0.000 0.514 40 E N -0.498 119.689 120.200 -0.022 0.000 2.437 40 E HA 0.273 4.623 4.350 -0.000 0.000 0.189 40 E C 1.213 177.805 176.600 -0.013 0.000 1.054 40 E CA 0.199 56.589 56.400 -0.018 0.000 0.874 40 E CB 0.162 29.850 29.700 -0.021 0.000 1.011 40 E HN 0.439 nan 8.360 nan 0.000 0.474 41 G N 1.820 110.612 108.800 -0.012 0.000 2.212 41 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.266 41 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.266 41 G C 0.394 175.290 174.900 -0.006 0.000 0.978 41 G CA 0.161 45.257 45.100 -0.006 0.000 0.632 41 G HN 0.296 nan 8.290 nan 0.000 0.537 42 I N 2.208 122.771 120.570 -0.013 0.000 2.496 42 I HA 0.458 4.628 4.170 -0.000 0.000 0.285 42 I C 1.003 177.106 176.117 -0.022 0.000 1.080 42 I CA -0.493 60.800 61.300 -0.012 0.000 1.404 42 I CB 0.833 38.822 38.000 -0.017 0.000 1.403 42 I HN 0.347 nan 8.210 nan 0.000 0.539 43 I N 2.648 123.208 120.570 -0.017 0.000 2.569 43 I HA 0.914 5.083 4.170 -0.000 0.000 0.296 43 I C -0.174 175.910 176.117 -0.056 0.000 1.028 43 I CA -0.501 60.764 61.300 -0.058 0.000 1.082 43 I CB 2.070 40.021 38.000 -0.082 0.000 1.264 43 I HN 0.546 nan 8.210 nan 0.000 0.429 44 G N 4.179 112.904 108.800 -0.125 0.000 2.524 44 G HA2 0.646 4.606 3.960 -0.000 0.000 0.310 44 G HA3 0.646 4.606 3.960 -0.000 0.000 0.310 44 G C -2.049 172.744 174.900 -0.178 0.000 1.279 44 G CA -0.565 44.500 45.100 -0.058 0.000 0.974 44 G HN 0.577 nan 8.290 nan 0.000 0.484 45 Y N -0.086 120.235 120.300 0.035 0.000 2.377 45 Y HA 0.669 5.219 4.550 -0.000 0.000 0.339 45 Y C 0.836 176.768 175.900 0.054 0.000 1.011 45 Y CA -0.130 57.998 58.100 0.048 0.000 1.093 45 Y CB 2.660 41.138 38.460 0.031 0.000 1.201 45 Y HN 0.774 nan 8.280 nan 0.000 0.455 46 G N 1.282 110.200 108.800 0.197 0.000 2.658 46 G HA2 0.641 4.601 3.960 -0.000 0.000 0.292 46 G HA3 0.641 4.601 3.960 -0.000 0.000 0.292 46 G C -1.883 173.108 174.900 0.152 0.000 1.320 46 G CA -0.780 44.409 45.100 0.147 0.000 0.933 46 G HN 0.520 nan 8.290 nan 0.000 0.476 47 E N -1.040 119.234 120.200 0.122 0.000 2.343 47 E HA 0.590 4.940 4.350 -0.000 0.000 0.278 47 E C -0.968 175.692 176.600 0.100 0.000 0.910 47 E CA -1.031 55.439 56.400 0.116 0.000 0.757 47 E CB 2.115 31.878 29.700 0.105 0.000 1.218 47 E HN 0.829 nan 8.360 nan 0.000 0.435 48 G N 1.811 110.677 108.800 0.109 0.000 2.702 48 G HA2 0.464 4.423 3.960 -0.000 0.000 0.295 48 G HA3 0.464 4.423 3.960 -0.000 0.000 0.295 48 G C -1.547 173.428 174.900 0.126 0.000 1.446 48 G CA -0.430 44.734 45.100 0.106 0.000 0.983 48 G HN 0.332 nan 8.290 nan 0.000 0.520 49 V N 3.164 123.139 119.914 0.101 0.000 2.326 49 V HA 0.794 4.914 4.120 -0.000 0.000 0.281 49 V C 0.320 176.470 176.094 0.094 0.000 1.015 49 V CA -0.456 61.903 62.300 0.098 0.000 0.823 49 V CB 0.687 32.544 31.823 0.057 0.000 1.009 49 V HN 1.119 nan 8.190 nan 0.000 0.436 50 A N 4.844 127.744 122.820 0.133 0.000 2.354 50 A HA 0.610 4.930 4.320 -0.000 0.000 0.269 50 A C -0.157 177.496 177.584 0.115 0.000 1.109 50 A CA -0.309 51.803 52.037 0.126 0.000 0.800 50 A CB 0.702 19.800 19.000 0.164 0.000 1.045 50 A HN 0.878 nan 8.150 nan 0.000 0.489 51 D N 1.698 122.160 120.400 0.104 0.000 2.446 51 D HA 0.242 4.882 4.640 -0.000 0.000 0.251 51 D C -0.183 176.161 176.300 0.074 0.000 1.137 51 D CA -0.401 53.678 54.000 0.132 0.000 0.890 51 D CB 0.871 41.766 40.800 0.159 0.000 1.071 51 D HN 0.429 nan 8.370 nan 0.000 0.528 52 D N 1.435 121.839 120.400 0.006 0.000 2.172 52 D HA -0.205 4.434 4.640 -0.000 0.000 0.196 52 D C 1.163 177.336 176.300 -0.212 0.000 0.999 52 D CA 1.509 55.430 54.000 -0.132 0.000 0.856 52 D CB -0.182 40.467 40.800 -0.251 0.000 0.934 52 D HN 0.642 nan 8.370 nan 0.000 0.453 53 H N -1.181 117.874 119.070 -0.024 0.000 2.547 53 H HA 0.116 4.672 4.556 -0.000 0.000 0.272 53 H C 1.658 176.855 175.328 -0.218 0.000 0.989 53 H CA 0.325 56.244 56.048 -0.215 0.000 1.214 53 H CB 0.459 29.868 29.762 -0.589 0.000 1.389 53 H HN 0.037 nan 8.280 nan 0.000 0.577 54 V N -0.851 119.059 119.914 -0.006 0.000 2.911 54 V HA -0.048 4.072 4.120 -0.000 0.000 0.237 54 V C 2.018 178.120 176.094 0.014 0.000 1.156 54 V CA 1.557 63.860 62.300 0.005 0.000 1.180 54 V CB 0.336 32.193 31.823 0.056 0.000 0.932 54 V HN 0.554 nan 8.190 nan 0.000 0.483 55 T N -2.608 111.960 114.554 0.023 0.000 3.044 55 T HA 0.351 4.700 4.350 -0.000 0.000 0.260 55 T C 1.418 176.134 174.700 0.027 0.000 1.019 55 T CA 0.718 62.833 62.100 0.025 0.000 0.921 55 T CB 0.689 69.576 68.868 0.031 0.000 1.053 55 T HN 1.041 nan 8.240 nan 0.000 0.533 56 G N 1.254 110.063 108.800 0.015 0.000 2.221 56 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.265 56 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.265 56 G C -0.381 174.541 174.900 0.037 0.000 1.041 56 G CA 0.184 45.294 45.100 0.016 0.000 0.807 56 G HN 0.680 nan 8.290 nan 0.000 0.502 57 E N -0.170 120.059 120.200 0.048 0.000 2.212 57 E HA 0.653 5.003 4.350 -0.000 0.000 0.268 57 E C 0.256 176.916 176.600 0.099 0.000 0.902 57 E CA -0.161 56.286 56.400 0.078 0.000 0.779 57 E CB 1.753 31.502 29.700 0.083 0.000 1.172 57 E HN 0.445 nan 8.360 nan 0.000 0.409 58 S N 0.909 116.691 115.700 0.137 0.000 2.715 58 S HA 0.247 4.717 4.470 -0.000 0.000 0.307 58 S C 0.220 174.992 174.600 0.287 0.000 1.119 58 S CA -0.836 57.479 58.200 0.192 0.000 0.937 58 S CB 0.969 64.275 63.200 0.178 0.000 1.150 58 S HN 0.802 nan 8.310 nan 0.000 0.521 59 W N 1.662 123.036 121.300 0.123 0.000 2.315 59 W HA -0.093 4.566 4.660 -0.000 0.000 0.323 59 W C 1.794 178.441 176.519 0.213 0.000 1.233 59 W CA 2.286 59.713 57.345 0.138 0.000 1.267 59 W CB -0.943 28.587 29.460 0.116 0.000 1.160 59 W HN 0.915 nan 8.180 nan 0.000 0.474 60 E N -0.050 120.287 120.200 0.228 0.000 2.072 60 E HA -0.196 4.154 4.350 -0.000 0.000 0.191 60 E C 2.478 179.269 176.600 0.318 0.000 0.985 60 E CA 2.219 58.711 56.400 0.154 0.000 0.801 60 E CB -0.933 28.878 29.700 0.185 0.000 0.750 60 E HN 0.304 nan 8.360 nan 0.000 0.452 61 S N -0.156 115.697 115.700 0.255 0.000 2.382 61 S HA -0.182 4.288 4.470 -0.000 0.000 0.228 61 S C 2.037 176.764 174.600 0.210 0.000 1.027 61 S CA 1.677 60.014 58.200 0.228 0.000 0.991 61 S CB -0.706 62.586 63.200 0.154 0.000 0.823 61 S HN 0.196 nan 8.310 nan 0.000 0.469 62 T N 1.459 116.123 114.554 0.184 0.000 2.777 62 T HA 0.023 4.373 4.350 -0.000 0.000 0.266 62 T C 1.270 176.028 174.700 0.096 0.000 1.040 62 T CA 1.364 63.545 62.100 0.135 0.000 1.141 62 T CB -0.621 68.335 68.868 0.148 0.000 0.868 62 T HN 0.508 nan 8.240 nan 0.000 0.444 63 F N 1.848 121.764 119.950 -0.057 0.000 2.095 63 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 63 F C 2.483 178.151 175.800 -0.220 0.000 1.104 63 F CA 1.570 59.461 58.000 -0.183 0.000 1.232 63 F CB -0.325 38.504 39.000 -0.285 0.000 0.987 63 F HN 0.270 nan 8.300 nan 0.000 0.475 64 H N -0.988 118.137 119.070 0.093 0.000 2.395 64 H HA -0.087 4.469 4.556 -0.000 0.000 0.299 64 H C 2.491 177.821 175.328 0.003 0.000 1.070 64 H CA 1.921 57.993 56.048 0.040 0.000 1.356 64 H CB -0.882 29.029 29.762 0.247 0.000 1.401 64 H HN 0.384 nan 8.280 nan 0.000 0.524 65 T N -0.393 114.233 114.554 0.120 0.000 2.915 65 T HA -0.048 4.301 4.350 -0.000 0.000 0.269 65 T C 2.239 176.918 174.700 -0.035 0.000 1.071 65 T CA 0.500 62.640 62.100 0.067 0.000 1.132 65 T CB -0.388 68.520 68.868 0.067 0.000 0.878 65 T HN 0.150 nan 8.240 nan 0.000 0.479 66 L N 0.202 121.350 121.223 -0.125 0.000 2.044 66 L HA 0.082 4.421 4.340 -0.000 0.000 0.205 66 L C 3.030 179.723 176.870 -0.296 0.000 1.075 66 L CA 1.593 56.314 54.840 -0.197 0.000 0.747 66 L CB -0.430 41.485 42.059 -0.239 0.000 0.903 66 L HN 0.268 nan 8.230 nan 0.000 0.435 67 K N -0.392 119.714 120.400 -0.490 0.000 2.002 67 K HA -0.202 4.118 4.320 -0.000 0.000 0.209 67 K C 1.927 178.236 176.600 -0.484 0.000 1.048 67 K CA 1.912 57.823 56.287 -0.626 0.000 0.930 67 K CB -0.059 31.841 32.500 -1.001 0.000 0.714 67 K HN 0.421 nan 8.250 nan 0.000 0.438 68 H N -1.561 117.449 119.070 -0.100 0.000 2.547 68 H HA 0.110 4.665 4.556 -0.000 0.000 0.272 68 H C 1.359 176.660 175.328 -0.045 0.000 0.971 68 H CA 1.065 57.083 56.048 -0.051 0.000 1.245 68 H CB 0.754 30.512 29.762 -0.006 0.000 1.440 68 H HN 0.159 nan 8.280 nan 0.000 0.540 69 T N -0.356 114.225 114.554 0.045 0.000 3.111 69 T HA 0.130 4.480 4.350 -0.000 0.000 0.236 69 T C 1.920 176.609 174.700 -0.019 0.000 0.984 69 T CA 0.103 62.217 62.100 0.022 0.000 1.195 69 T CB -0.012 68.879 68.868 0.037 0.000 0.929 69 T HN 0.040 nan 8.240 nan 0.000 0.431 70 L N 1.576 122.772 121.223 -0.044 0.000 2.034 70 L HA -0.036 4.303 4.340 -0.000 0.000 0.203 70 L C 3.144 179.964 176.870 -0.084 0.000 1.074 70 L CA 1.682 56.486 54.840 -0.060 0.000 0.748 70 L CB -1.113 40.907 42.059 -0.066 0.000 0.905 70 L HN 0.442 nan 8.230 nan 0.000 0.439 71 T N -2.355 112.129 114.554 -0.117 0.000 2.720 71 T HA -0.091 4.259 4.350 -0.000 0.000 0.268 71 T C -0.468 174.166 174.700 -0.110 0.000 1.037 71 T CA 0.999 63.021 62.100 -0.130 0.000 1.144 71 T CB -1.923 66.838 68.868 -0.179 0.000 0.864 71 T HN 0.209 nan 8.240 nan 0.000 0.444 72 P HA 0.026 nan 4.420 nan 0.000 0.218 72 P C 1.557 178.821 177.300 -0.060 0.000 1.148 72 P CA 1.584 64.640 63.100 -0.074 0.000 0.822 72 P CB -0.328 31.341 31.700 -0.052 0.000 0.784 73 A N -0.780 122.008 122.820 -0.054 0.000 2.167 73 A HA 0.029 4.348 4.320 -0.000 0.000 0.214 73 A C 2.213 179.764 177.584 -0.055 0.000 1.151 73 A CA 0.688 52.698 52.037 -0.045 0.000 0.735 73 A CB -1.193 17.786 19.000 -0.035 0.000 0.802 73 A HN 0.157 nan 8.150 nan 0.000 0.467 74 L N -0.852 120.329 121.223 -0.070 0.000 2.513 74 L HA 0.186 4.526 4.340 -0.000 0.000 0.222 74 L C -0.051 176.773 176.870 -0.077 0.000 1.096 74 L CA -0.401 54.393 54.840 -0.077 0.000 0.857 74 L CB -0.144 41.860 42.059 -0.092 0.000 1.026 74 L HN 0.166 nan 8.230 nan 0.000 0.469 75 I N 0.961 121.486 120.570 -0.077 0.000 2.752 75 I HA 0.068 4.238 4.170 -0.000 0.000 0.289 75 I C 1.430 177.510 176.117 -0.061 0.000 1.197 75 I CA 1.122 62.378 61.300 -0.074 0.000 1.432 75 I CB 0.378 38.333 38.000 -0.075 0.000 1.359 75 I HN 0.298 nan 8.210 nan 0.000 0.571 76 G N 3.761 112.525 108.800 -0.059 0.000 2.199 76 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.254 76 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.254 76 G C 0.431 175.301 174.900 -0.051 0.000 0.982 76 G CA -0.011 45.059 45.100 -0.050 0.000 0.632 76 G HN 0.564 nan 8.290 nan 0.000 0.529 77 Q N 0.466 120.231 119.800 -0.059 0.000 2.306 77 Q HA 0.586 4.926 4.340 -0.000 0.000 0.241 77 Q C 0.131 176.089 176.000 -0.069 0.000 0.948 77 Q CA -0.591 55.175 55.803 -0.062 0.000 0.886 77 Q CB 0.720 29.417 28.738 -0.067 0.000 1.227 77 Q HN 0.273 nan 8.270 nan 0.000 0.457 78 N N 3.291 121.949 118.700 -0.070 0.000 2.406 78 N HA 0.188 4.927 4.740 -0.000 0.000 0.251 78 N C -2.073 173.374 175.510 -0.104 0.000 1.069 78 N CA -1.778 51.225 53.050 -0.079 0.000 0.947 78 N CB 1.033 39.479 38.487 -0.069 0.000 1.111 78 N HN 0.376 nan 8.380 nan 0.000 0.497 79 P HA -0.074 nan 4.420 nan 0.000 0.230 79 P C 1.117 178.299 177.300 -0.197 0.000 1.158 79 P CA 0.691 63.700 63.100 -0.152 0.000 0.769 79 P CB 0.344 31.965 31.700 -0.132 0.000 0.807 80 M N -0.476 119.028 119.600 -0.160 0.000 2.419 80 M HA -0.009 4.471 4.480 -0.000 0.000 0.264 80 M C 0.477 176.662 176.300 -0.192 0.000 1.082 80 M CA 0.914 56.112 55.300 -0.171 0.000 1.119 80 M CB -1.367 31.166 32.600 -0.111 0.000 1.398 80 M HN 0.017 nan 8.290 nan 0.000 0.453 81 N N 1.386 119.986 118.700 -0.167 0.000 3.083 81 N HA 0.107 4.847 4.740 -0.000 0.000 0.260 81 N C 1.056 176.444 175.510 -0.204 0.000 1.163 81 N CA -0.364 52.592 53.050 -0.157 0.000 1.060 81 N CB 1.026 39.454 38.487 -0.098 0.000 1.345 81 N HN 0.061 nan 8.380 nan 0.000 0.515 82 I N 1.439 121.813 120.570 -0.325 0.000 2.208 82 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 82 I C 2.249 178.208 176.117 -0.264 0.000 1.097 82 I CA 1.754 62.816 61.300 -0.397 0.000 1.363 82 I CB -0.215 37.358 38.000 -0.710 0.000 1.051 82 I HN 0.502 nan 8.210 nan 0.000 0.413 83 E N 0.883 120.901 120.200 -0.302 0.000 2.077 83 E HA -0.293 4.056 4.350 -0.000 0.000 0.193 83 E C 2.185 178.818 176.600 0.056 0.000 0.989 83 E CA 1.776 58.162 56.400 -0.022 0.000 0.800 83 E CB -0.112 29.626 29.700 0.062 0.000 0.746 83 E HN 0.236 nan 8.360 nan 0.000 0.452 84 K N -0.014 120.379 120.400 -0.012 0.000 2.025 84 K HA -0.047 4.273 4.320 -0.000 0.000 0.207 84 K C 1.933 178.526 176.600 -0.012 0.000 1.049 84 K CA 1.274 57.558 56.287 -0.005 0.000 0.933 84 K CB -0.248 32.232 32.500 -0.033 0.000 0.714 84 K HN 0.142 nan 8.250 nan 0.000 0.438 85 I N 0.848 121.385 120.570 -0.055 0.000 2.151 85 I HA -0.287 3.882 4.170 -0.000 0.000 0.243 85 I C 1.961 178.018 176.117 -0.101 0.000 1.080 85 I CA 1.803 63.042 61.300 -0.102 0.000 1.339 85 I CB -1.080 36.819 38.000 -0.170 0.000 1.039 85 I HN 0.341 nan 8.210 nan 0.000 0.409 86 H N -0.216 118.852 119.070 -0.004 0.000 2.423 86 H HA -0.163 4.393 4.556 -0.000 0.000 0.297 86 H C 1.961 177.315 175.328 0.043 0.000 1.075 86 H CA 1.718 57.793 56.048 0.046 0.000 1.342 86 H CB -0.044 29.794 29.762 0.126 0.000 1.395 86 H HN 0.304 nan 8.280 nan 0.000 0.530 87 D N -0.245 120.240 120.400 0.142 0.000 2.117 87 D HA -0.168 4.472 4.640 -0.000 0.000 0.198 87 D C 2.205 178.537 176.300 0.053 0.000 0.982 87 D CA 0.965 55.022 54.000 0.095 0.000 0.828 87 D CB -0.027 40.817 40.800 0.073 0.000 0.967 87 D HN 0.183 nan 8.370 nan 0.000 0.464 88 M N -0.336 119.277 119.600 0.021 0.000 2.086 88 M HA -0.095 4.385 4.480 -0.000 0.000 0.261 88 M C 1.970 178.269 176.300 -0.002 0.000 1.067 88 M CA 1.593 56.893 55.300 -0.001 0.000 1.116 88 M CB -0.370 32.214 32.600 -0.026 0.000 1.348 88 M HN 0.079 nan 8.290 nan 0.000 0.407 89 M N -0.293 119.296 119.600 -0.020 0.000 2.086 89 M HA -0.211 4.269 4.480 -0.000 0.000 0.261 89 M C 1.624 177.938 176.300 0.022 0.000 1.067 89 M CA 1.775 57.062 55.300 -0.021 0.000 1.116 89 M CB -0.992 31.566 32.600 -0.071 0.000 1.348 89 M HN 0.222 nan 8.290 nan 0.000 0.407 90 D N 0.449 120.880 120.400 0.052 0.000 2.144 90 D HA -0.118 4.522 4.640 -0.000 0.000 0.199 90 D C 1.495 177.840 176.300 0.076 0.000 0.984 90 D CA 1.195 55.237 54.000 0.070 0.000 0.834 90 D CB -0.604 40.249 40.800 0.089 0.000 0.955 90 D HN 0.490 nan 8.370 nan 0.000 0.465 91 N N -0.527 118.209 118.700 0.059 0.000 2.244 91 N HA -0.118 4.622 4.740 -0.000 0.000 0.183 91 N C 1.818 177.355 175.510 0.046 0.000 1.016 91 N CA 1.440 54.521 53.050 0.053 0.000 0.866 91 N CB 0.116 38.626 38.487 0.037 0.000 0.980 91 N HN 0.218 nan 8.380 nan 0.000 0.430 92 T N -1.466 113.110 114.554 0.036 0.000 3.014 92 T HA 0.117 4.467 4.350 -0.000 0.000 0.263 92 T C 0.630 175.358 174.700 0.046 0.000 1.078 92 T CA 0.272 62.390 62.100 0.030 0.000 1.135 92 T CB 0.239 69.114 68.868 0.012 0.000 0.895 92 T HN 0.119 nan 8.240 nan 0.000 0.480 93 I N 0.040 120.647 120.570 0.062 0.000 2.743 93 I HA 0.471 4.641 4.170 -0.000 0.000 0.292 93 I C -1.755 174.440 176.117 0.129 0.000 1.343 93 I CA -1.619 59.735 61.300 0.090 0.000 1.038 93 I CB 2.082 40.121 38.000 0.066 0.000 1.311 93 I HN 0.200 nan 8.210 nan 0.000 0.426 94 Y N 7.328 127.644 120.300 0.026 0.000 2.304 94 Y HA 0.609 5.159 4.550 -0.000 0.000 0.327 94 Y C 0.913 176.833 175.900 0.034 0.000 1.209 94 Y CA 1.543 59.661 58.100 0.030 0.000 1.299 94 Y CB 1.154 39.629 38.460 0.025 0.000 1.249 94 Y HN 0.952 nan 8.280 nan 0.000 0.519 95 G N 1.888 110.371 108.800 -0.528 0.000 2.556 95 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.283 95 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.283 95 G C 0.189 175.028 174.900 -0.102 0.000 1.177 95 G CA -0.044 44.851 45.100 -0.342 0.000 0.978 95 G HN 1.664 nan 8.290 nan 0.000 0.554 96 V N 1.327 121.226 119.914 -0.025 0.000 5.691 96 V HA -0.214 3.905 4.120 -0.000 0.000 0.288 96 V C 0.260 176.360 176.094 0.009 0.000 0.615 96 V CA 2.347 64.654 62.300 0.013 0.000 0.619 96 V CB -0.933 30.908 31.823 0.031 0.000 0.296 96 V HN 0.919 nan 8.190 nan 0.000 0.834 97 P HA -0.160 nan 4.420 nan 0.000 0.217 97 P C 1.528 178.853 177.300 0.042 0.000 1.150 97 P CA 1.979 65.090 63.100 0.018 0.000 0.832 97 P CB 0.101 31.802 31.700 0.003 0.000 0.787 98 T N 0.242 114.823 114.554 0.045 0.000 2.746 98 T HA -0.060 4.289 4.350 -0.000 0.000 0.267 98 T C 2.115 176.851 174.700 0.060 0.000 1.039 98 T CA 1.758 63.894 62.100 0.059 0.000 1.142 98 T CB -0.806 68.106 68.868 0.073 0.000 0.866 98 T HN 0.099 nan 8.240 nan 0.000 0.444 99 A N 1.802 124.652 122.820 0.050 0.000 1.902 99 A HA -0.112 4.207 4.320 -0.000 0.000 0.217 99 A C 2.235 179.830 177.584 0.017 0.000 1.181 99 A CA 1.520 53.577 52.037 0.033 0.000 0.623 99 A CB -0.410 18.603 19.000 0.022 0.000 0.818 99 A HN 0.462 nan 8.150 nan 0.000 0.443 100 K N -0.209 120.203 120.400 0.020 0.000 2.147 100 K HA -0.016 4.304 4.320 -0.000 0.000 0.205 100 K C 2.242 178.867 176.600 0.041 0.000 1.049 100 K CA 0.966 57.256 56.287 0.006 0.000 0.936 100 K CB -0.305 32.214 32.500 0.030 0.000 0.722 100 K HN 0.444 nan 8.250 nan 0.000 0.446 101 A N 1.726 124.594 122.820 0.079 0.000 1.902 101 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 101 A C 2.412 180.050 177.584 0.089 0.000 1.181 101 A CA 1.800 53.900 52.037 0.105 0.000 0.623 101 A CB -0.696 18.356 19.000 0.086 0.000 0.818 101 A HN 0.320 nan 8.150 nan 0.000 0.443 102 A N -0.283 122.577 122.820 0.067 0.000 1.940 102 A HA -0.109 4.210 4.320 -0.000 0.000 0.219 102 A C 2.117 179.730 177.584 0.048 0.000 1.176 102 A CA 1.664 53.740 52.037 0.065 0.000 0.631 102 A CB -0.540 18.494 19.000 0.057 0.000 0.814 102 A HN 0.514 nan 8.150 nan 0.000 0.446 103 I N -0.649 119.929 120.570 0.012 0.000 2.333 103 I HA -0.163 4.006 4.170 -0.000 0.000 0.246 103 I C 2.341 178.455 176.117 -0.006 0.000 1.106 103 I CA 1.366 62.650 61.300 -0.025 0.000 1.411 103 I CB -0.258 37.694 38.000 -0.080 0.000 1.082 103 I HN 0.453 nan 8.210 nan 0.000 0.420 104 D N 1.655 122.075 120.400 0.033 0.000 2.104 104 D HA -0.210 4.430 4.640 -0.000 0.000 0.194 104 D C 2.224 178.686 176.300 0.270 0.000 0.994 104 D CA 1.643 55.737 54.000 0.157 0.000 0.830 104 D CB 0.037 41.030 40.800 0.322 0.000 0.959 104 D HN 0.325 nan 8.370 nan 0.000 0.452 105 I N 1.224 121.921 120.570 0.211 0.000 2.226 105 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 105 I C 2.809 179.029 176.117 0.171 0.000 1.100 105 I CA 1.134 62.559 61.300 0.209 0.000 1.374 105 I CB -0.304 37.781 38.000 0.141 0.000 1.057 105 I HN 0.014 nan 8.210 nan 0.000 0.413 106 A N -0.130 122.752 122.820 0.104 0.000 1.933 106 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 106 A C 2.442 180.036 177.584 0.017 0.000 1.175 106 A CA 1.787 53.857 52.037 0.055 0.000 0.628 106 A CB -1.210 17.794 19.000 0.007 0.000 0.814 106 A HN 0.548 nan 8.150 nan 0.000 0.444 107 C N -1.955 117.335 119.300 -0.017 0.000 2.429 107 C HA -0.071 4.389 4.460 -0.000 0.000 0.277 107 C C 2.409 177.299 174.990 -0.168 0.000 1.262 107 C CA 0.845 59.787 59.018 -0.126 0.000 1.733 107 C CB -1.717 25.894 27.740 -0.216 0.000 2.010 107 C HN 0.637 nan 8.230 nan 0.000 0.483 108 F N 0.948 120.883 119.950 -0.024 0.000 2.206 108 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 108 F C 2.177 177.944 175.800 -0.055 0.000 1.090 108 F CA 1.864 59.843 58.000 -0.035 0.000 1.323 108 F CB -0.419 38.568 39.000 -0.022 0.000 1.028 108 F HN 0.189 nan 8.300 nan 0.000 0.492 109 D N 0.665 121.139 120.400 0.124 0.000 2.104 109 D HA -0.190 4.450 4.640 -0.000 0.000 0.194 109 D C 2.217 178.532 176.300 0.025 0.000 0.994 109 D CA 1.471 55.508 54.000 0.062 0.000 0.830 109 D CB -0.257 40.597 40.800 0.090 0.000 0.959 109 D HN 0.249 nan 8.370 nan 0.000 0.452 110 I N 0.009 120.579 120.570 -0.001 0.000 2.226 110 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 110 I C 2.619 178.712 176.117 -0.040 0.000 1.100 110 I CA 0.802 62.085 61.300 -0.028 0.000 1.374 110 I CB -0.230 37.737 38.000 -0.056 0.000 1.057 110 I HN 0.150 nan 8.210 nan 0.000 0.413 111 M N 0.383 119.946 119.600 -0.063 0.000 2.080 111 M HA -0.177 4.303 4.480 -0.000 0.000 0.260 111 M C 2.216 178.502 176.300 -0.023 0.000 1.068 111 M CA 2.345 57.604 55.300 -0.069 0.000 1.109 111 M CB -0.510 32.011 32.600 -0.132 0.000 1.342 111 M HN 0.310 nan 8.290 nan 0.000 0.405 112 G N 0.142 108.941 108.800 -0.001 0.000 2.418 112 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.217 112 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.217 112 G C 1.524 176.412 174.900 -0.020 0.000 1.158 112 G CA 0.871 45.962 45.100 -0.015 0.000 0.771 112 G HN 0.442 nan 8.290 nan 0.000 0.545 113 K N 0.232 120.624 120.400 -0.013 0.000 2.057 113 K HA -0.077 4.243 4.320 -0.000 0.000 0.207 113 K C 2.431 179.025 176.600 -0.009 0.000 1.049 113 K CA 1.379 57.662 56.287 -0.007 0.000 0.931 113 K CB -0.094 32.409 32.500 0.005 0.000 0.714 113 K HN 0.188 nan 8.250 nan 0.000 0.440 114 K N 1.631 122.022 120.400 -0.015 0.000 2.063 114 K HA -0.102 4.218 4.320 -0.000 0.000 0.208 114 K C 1.468 178.060 176.600 -0.013 0.000 1.048 114 K CA 1.416 57.693 56.287 -0.017 0.000 0.928 114 K CB -0.125 32.358 32.500 -0.028 0.000 0.713 114 K HN 0.093 nan 8.250 nan 0.000 0.442 115 L N 0.805 122.020 121.223 -0.012 0.000 2.611 115 L HA 0.141 4.481 4.340 -0.000 0.000 0.229 115 L C 0.220 177.088 176.870 -0.004 0.000 1.137 115 L CA -0.085 54.752 54.840 -0.005 0.000 0.901 115 L CB -0.729 41.330 42.059 -0.000 0.000 1.098 115 L HN 0.421 nan 8.230 nan 0.000 0.456 116 N N 1.918 120.614 118.700 -0.008 0.000 2.667 116 N HA -0.229 4.511 4.740 -0.000 0.000 0.263 116 N C -0.253 175.249 175.510 -0.012 0.000 1.038 116 N CA 0.362 53.407 53.050 -0.008 0.000 0.749 116 N CB -0.171 38.315 38.487 -0.002 0.000 0.892 116 N HN 0.442 nan 8.380 nan 0.000 0.546 117 Q N 0.304 120.088 119.800 -0.027 0.000 2.472 117 Q HA 0.527 4.867 4.340 -0.000 0.000 0.281 117 Q C -2.739 173.199 176.000 -0.103 0.000 0.997 117 Q CA -1.120 54.656 55.803 -0.046 0.000 0.828 117 Q CB 2.175 30.901 28.738 -0.020 0.000 1.443 117 Q HN 0.107 nan 8.270 nan 0.000 0.390 118 P HA 0.016 nan 4.420 nan 0.000 0.274 118 P C 0.299 177.395 177.300 -0.340 0.000 1.237 118 P CA -0.163 62.740 63.100 -0.329 0.000 0.793 118 P CB 0.961 32.275 31.700 -0.643 0.000 0.977 119 V N 2.046 121.726 119.914 -0.390 0.000 2.282 119 V HA -0.310 3.810 4.120 -0.000 0.000 0.249 119 V C 2.446 178.569 176.094 0.049 0.000 1.057 119 V CA 2.636 64.796 62.300 -0.234 0.000 1.032 119 V CB -2.020 29.476 31.823 -0.545 0.000 0.645 119 V HN 0.613 nan 8.190 nan 0.000 0.447 120 Y N 1.055 121.632 120.300 0.461 0.000 2.298 120 Y HA -0.252 4.298 4.550 -0.001 0.000 0.287 120 Y C 2.280 178.306 175.900 0.211 0.000 1.164 120 Y CA 1.573 59.865 58.100 0.320 0.000 1.229 120 Y CB -1.202 37.441 38.460 0.304 0.000 0.977 120 Y HN 0.321 nan 8.280 nan 0.000 0.538 121 Q N 0.617 120.556 119.800 0.232 0.000 2.297 121 Q HA -0.010 4.330 4.340 -0.000 0.000 0.204 121 Q C 1.429 177.540 176.000 0.185 0.000 0.962 121 Q CA 1.122 57.066 55.803 0.235 0.000 0.879 121 Q CB -0.178 28.616 28.738 0.095 0.000 0.947 121 Q HN 0.528 nan 8.270 nan 0.000 0.462 122 L N 0.454 121.783 121.223 0.177 0.000 2.558 122 L HA 0.149 4.489 4.340 -0.000 0.000 0.225 122 L C 1.222 178.242 176.870 0.251 0.000 1.128 122 L CA 0.693 55.657 54.840 0.207 0.000 0.868 122 L CB -0.636 41.578 42.059 0.258 0.000 1.006 122 L HN 0.428 nan 8.230 nan 0.000 0.454 123 I N -4.205 116.505 120.570 0.233 0.000 3.491 123 I HA 0.631 4.801 4.170 -0.000 0.000 0.332 123 I C 0.815 177.059 176.117 0.212 0.000 1.565 123 I CA 0.135 61.566 61.300 0.218 0.000 1.050 123 I CB 0.514 38.593 38.000 0.133 0.000 1.348 123 I HN 0.096 nan 8.210 nan 0.000 0.506 124 G N 0.312 109.240 108.800 0.213 0.000 2.367 124 G HA2 0.192 4.152 3.960 -0.000 0.000 0.181 124 G HA3 0.192 4.152 3.960 -0.000 0.000 0.181 124 G C 0.637 175.658 174.900 0.201 0.000 1.000 124 G CA -0.159 45.057 45.100 0.194 0.000 0.693 124 G HN 1.465 nan 8.290 nan 0.000 0.480 125 G N -0.457 108.497 108.800 0.257 0.000 2.728 125 G HA2 0.148 4.108 3.960 -0.000 0.000 0.294 125 G HA3 0.148 4.108 3.960 -0.000 0.000 0.294 125 G C -0.258 174.790 174.900 0.247 0.000 1.342 125 G CA 0.431 45.698 45.100 0.278 0.000 0.866 125 G HN 1.135 nan 8.290 nan 0.000 0.534 126 R N -0.208 120.364 120.500 0.120 0.000 2.308 126 R HA 0.567 4.907 4.340 -0.000 0.000 0.305 126 R C 0.563 176.851 176.300 -0.021 0.000 1.053 126 R CA -0.287 55.733 56.100 -0.134 0.000 0.957 126 R CB 0.442 30.543 30.300 -0.331 0.000 1.022 126 R HN 0.776 nan 8.270 nan 0.000 0.461 127 Y N 3.154 123.379 120.300 -0.126 0.000 2.664 127 Y HA 0.221 4.771 4.550 -0.000 0.000 0.278 127 Y C 0.088 175.774 175.900 -0.356 0.000 1.130 127 Y CA 0.239 58.199 58.100 -0.235 0.000 1.260 127 Y CB 0.528 38.806 38.460 -0.302 0.000 1.369 127 Y HN 0.569 nan 8.280 nan 0.000 0.499 128 H N 0.946 119.963 119.070 -0.089 0.000 2.483 128 H HA 0.210 4.765 4.556 -0.000 0.000 0.338 128 H C 0.389 175.593 175.328 -0.206 0.000 1.152 128 H CA -0.082 55.769 56.048 -0.327 0.000 1.264 128 H CB 1.815 31.145 29.762 -0.721 0.000 1.510 128 H HN 0.283 nan 8.280 nan 0.000 0.530 129 E N 0.922 121.052 120.200 -0.116 0.000 2.127 129 E HA 0.008 4.357 4.350 -0.000 0.000 0.191 129 E C 0.292 176.947 176.600 0.093 0.000 0.964 129 E CA 0.679 57.063 56.400 -0.026 0.000 0.832 129 E CB 0.808 30.448 29.700 -0.099 0.000 0.790 129 E HN 0.801 nan 8.360 nan 0.000 0.465 130 E N -1.512 118.629 120.200 -0.099 0.000 2.429 130 E HA 0.475 4.824 4.350 -0.000 0.000 0.280 130 E C -1.275 175.142 176.600 -0.305 0.000 1.068 130 E CA -0.700 55.694 56.400 -0.009 0.000 0.837 130 E CB 0.997 30.720 29.700 0.038 0.000 1.357 130 E HN -0.176 nan 8.360 nan 0.000 0.455 131 F N 0.428 120.344 119.950 -0.055 0.000 2.576 131 F HA 0.506 5.033 4.527 -0.000 0.000 0.313 131 F C -2.343 173.493 175.800 0.059 0.000 1.078 131 F CA -1.927 56.023 58.000 -0.083 0.000 0.921 131 F CB 2.516 41.402 39.000 -0.189 0.000 1.232 131 F HN 0.262 nan 8.300 nan 0.000 0.459 132 P HA 0.236 nan 4.420 nan 0.000 0.276 132 P C -1.041 176.252 177.300 -0.011 0.000 1.244 132 P CA -0.241 62.806 63.100 -0.089 0.000 0.801 132 P CB 1.784 33.415 31.700 -0.116 0.000 1.006 133 V N 1.564 121.421 119.914 -0.095 0.000 2.435 133 V HA 0.392 4.511 4.120 -0.000 0.000 0.290 133 V C 0.845 176.984 176.094 0.075 0.000 1.030 133 V CA -0.268 62.076 62.300 0.073 0.000 0.881 133 V CB 1.394 33.319 31.823 0.169 0.000 0.983 133 V HN 0.754 nan 8.190 nan 0.000 0.445 134 T N 1.548 116.119 114.554 0.029 0.000 2.824 134 T HA 0.480 4.829 4.350 -0.000 0.000 0.280 134 T C -0.564 174.006 174.700 -0.215 0.000 0.995 134 T CA -0.547 61.486 62.100 -0.112 0.000 1.009 134 T CB 0.946 69.746 68.868 -0.114 0.000 0.955 134 T HN 0.749 nan 8.240 nan 0.000 0.452 135 H N 3.193 121.861 119.070 -0.670 0.000 2.668 135 H HA 0.484 5.039 4.556 -0.000 0.000 0.303 135 H C 0.204 175.370 175.328 -0.271 0.000 1.074 135 H CA -0.379 55.259 56.048 -0.683 0.000 1.406 135 H CB 0.633 29.652 29.762 -1.239 0.000 1.442 135 H HN 0.701 nan 8.280 nan 0.000 0.482 136 V N 5.083 124.603 119.914 -0.657 0.000 2.432 136 V HA 0.336 4.456 4.120 -0.000 0.000 0.271 136 V C -0.284 175.555 176.094 -0.426 0.000 1.046 136 V CA -0.712 61.367 62.300 -0.368 0.000 0.945 136 V CB 0.498 32.230 31.823 -0.153 0.000 0.992 136 V HN 0.621 nan 8.190 nan 0.000 0.471 137 L N 5.295 126.407 121.223 -0.184 0.000 2.255 137 L HA 0.430 4.770 4.340 -0.000 0.000 0.289 137 L C 0.860 177.667 176.870 -0.106 0.000 1.046 137 L CA 0.045 54.829 54.840 -0.094 0.000 0.816 137 L CB 1.179 43.233 42.059 -0.009 0.000 1.197 137 L HN 0.767 nan 8.230 nan 0.000 0.427 138 S N 3.223 118.859 115.700 -0.106 0.000 2.576 138 S HA 0.269 4.739 4.470 -0.000 0.000 0.272 138 S C 0.493 174.996 174.600 -0.162 0.000 1.352 138 S CA -0.518 57.565 58.200 -0.195 0.000 1.021 138 S CB 0.574 63.663 63.200 -0.185 0.000 0.887 138 S HN 0.359 nan 8.310 nan 0.000 0.542 139 I N 2.531 122.978 120.570 -0.205 0.000 2.845 139 I HA 0.080 4.249 4.170 -0.000 0.000 0.290 139 I C 0.633 176.687 176.117 -0.106 0.000 1.202 139 I CA 0.212 61.422 61.300 -0.150 0.000 1.406 139 I CB -0.661 37.238 38.000 -0.168 0.000 1.383 139 I HN 0.654 nan 8.210 nan 0.000 0.549 140 A N 5.626 128.400 122.820 -0.077 0.000 2.535 140 A HA 0.573 4.892 4.320 -0.000 0.000 0.296 140 A C -1.165 176.393 177.584 -0.044 0.000 1.248 140 A CA -0.777 51.227 52.037 -0.055 0.000 0.686 140 A CB 0.842 19.814 19.000 -0.046 0.000 1.315 140 A HN 0.532 nan 8.150 nan 0.000 0.460 141 D N 0.545 120.924 120.400 -0.035 0.000 2.339 141 D HA 0.410 5.050 4.640 -0.000 0.000 0.245 141 D C -1.721 174.561 176.300 -0.030 0.000 1.115 141 D CA -0.967 53.016 54.000 -0.028 0.000 0.917 141 D CB 0.699 41.485 40.800 -0.023 0.000 1.192 141 D HN 0.126 nan 8.370 nan 0.000 0.428 142 P HA -0.225 nan 4.420 nan 0.000 0.219 142 P C 0.879 178.159 177.300 -0.035 0.000 1.153 142 P CA 1.323 64.406 63.100 -0.028 0.000 0.865 142 P CB 0.312 32.000 31.700 -0.020 0.000 0.788 143 E N -2.064 118.117 120.200 -0.031 0.000 2.340 143 E HA 0.038 4.387 4.350 -0.000 0.000 0.194 143 E C 1.633 178.212 176.600 -0.036 0.000 0.996 143 E CA 0.289 56.669 56.400 -0.034 0.000 0.869 143 E CB -0.659 29.025 29.700 -0.027 0.000 0.835 143 E HN 0.261 nan 8.360 nan 0.000 0.493 144 N N 0.016 118.697 118.700 -0.032 0.000 2.331 144 N HA -0.026 4.714 4.740 -0.000 0.000 0.180 144 N C 1.706 177.195 175.510 -0.035 0.000 1.019 144 N CA 0.763 53.796 53.050 -0.029 0.000 0.881 144 N CB 0.073 38.545 38.487 -0.025 0.000 0.972 144 N HN 0.257 nan 8.380 nan 0.000 0.435 145 M N 0.045 119.617 119.600 -0.046 0.000 2.357 145 M HA 0.103 4.583 4.480 -0.000 0.000 0.266 145 M C 2.253 178.500 176.300 -0.088 0.000 1.095 145 M CA 0.510 55.775 55.300 -0.058 0.000 1.156 145 M CB -0.053 32.510 32.600 -0.062 0.000 1.365 145 M HN 0.026 nan 8.290 nan 0.000 0.447 146 A N 0.355 123.123 122.820 -0.087 0.000 1.972 146 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 146 A C 1.964 179.481 177.584 -0.111 0.000 1.169 146 A CA 1.952 53.923 52.037 -0.110 0.000 0.635 146 A CB -0.665 18.286 19.000 -0.082 0.000 0.810 146 A HN 0.567 nan 8.150 nan 0.000 0.446 147 E N -0.424 119.730 120.200 -0.076 0.000 2.028 147 E HA -0.194 4.155 4.350 -0.000 0.000 0.190 147 E C 2.009 178.574 176.600 -0.058 0.000 0.984 147 E CA 0.977 57.341 56.400 -0.060 0.000 0.800 147 E CB -0.224 29.453 29.700 -0.037 0.000 0.758 147 E HN 0.699 nan 8.360 nan 0.000 0.448 148 E N -0.233 119.942 120.200 -0.042 0.000 2.209 148 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 148 E C 1.702 178.288 176.600 -0.025 0.000 0.993 148 E CA 0.942 57.338 56.400 -0.007 0.000 0.819 148 E CB -0.050 29.675 29.700 0.042 0.000 0.745 148 E HN 0.345 nan 8.360 nan 0.000 0.477 149 A N 0.719 123.453 122.820 -0.143 0.000 1.930 149 A HA 0.104 4.424 4.320 -0.000 0.000 0.215 149 A C 2.321 179.746 177.584 -0.265 0.000 1.176 149 A CA 1.117 52.911 52.037 -0.405 0.000 0.632 149 A CB -0.401 18.142 19.000 -0.762 0.000 0.819 149 A HN 0.361 nan 8.150 nan 0.000 0.445 150 A N -0.063 122.660 122.820 -0.160 0.000 1.940 150 A HA -0.088 4.231 4.320 -0.000 0.000 0.219 150 A C 2.425 179.999 177.584 -0.017 0.000 1.176 150 A CA 2.161 54.148 52.037 -0.083 0.000 0.631 150 A CB -0.787 18.174 19.000 -0.065 0.000 0.814 150 A HN 0.451 nan 8.150 nan 0.000 0.446 151 S N -0.079 115.615 115.700 -0.010 0.000 2.335 151 S HA -0.141 4.328 4.470 -0.000 0.000 0.216 151 S C 2.005 176.640 174.600 0.058 0.000 1.032 151 S CA 1.715 59.923 58.200 0.014 0.000 1.000 151 S CB -0.378 62.820 63.200 -0.003 0.000 0.928 151 S HN 0.502 nan 8.310 nan 0.000 0.434 152 M N 1.143 120.788 119.600 0.075 0.000 2.267 152 M HA -0.030 4.450 4.480 -0.000 0.000 0.263 152 M C 1.918 178.432 176.300 0.357 0.000 1.063 152 M CA 0.903 56.308 55.300 0.176 0.000 1.090 152 M CB -1.411 31.155 32.600 -0.057 0.000 1.392 152 M HN 0.227 nan 8.290 nan 0.000 0.422 153 I N 1.003 121.770 120.570 0.328 0.000 2.151 153 I HA -0.264 3.905 4.170 -0.000 0.000 0.243 153 I C 1.825 178.038 176.117 0.160 0.000 1.080 153 I CA 1.454 62.924 61.300 0.284 0.000 1.339 153 I CB -1.161 36.924 38.000 0.141 0.000 1.039 153 I HN 0.510 nan 8.210 nan 0.000 0.409 154 Q N 1.345 121.207 119.800 0.104 0.000 2.642 154 Q HA 0.084 4.423 4.340 -0.000 0.000 0.319 154 Q C 0.227 176.255 176.000 0.047 0.000 1.030 154 Q CA 0.141 55.980 55.803 0.060 0.000 0.943 154 Q CB -0.073 28.688 28.738 0.038 0.000 1.323 154 Q HN 0.418 nan 8.270 nan 0.000 0.419 155 K N -0.582 119.845 120.400 0.046 0.000 2.614 155 K HA 0.219 4.539 4.320 -0.000 0.000 0.190 155 K C 0.556 177.079 176.600 -0.128 0.000 1.255 155 K CA 0.186 56.464 56.287 -0.015 0.000 1.099 155 K CB 1.413 33.928 32.500 0.026 0.000 1.023 155 K HN 0.420 nan 8.250 nan 0.000 0.576 156 G N 0.967 109.718 108.800 -0.081 0.000 2.279 156 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.223 156 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.223 156 G C -0.076 174.712 174.900 -0.186 0.000 1.015 156 G CA -0.426 44.590 45.100 -0.140 0.000 0.621 156 G HN 0.231 nan 8.290 nan 0.000 0.506 157 Y N 1.171 121.399 120.300 -0.120 0.000 2.881 157 Y HA 0.213 4.763 4.550 -0.000 0.000 0.335 157 Y C 1.765 177.576 175.900 -0.148 0.000 1.263 157 Y CA 1.449 59.409 58.100 -0.233 0.000 1.572 157 Y CB 0.634 38.860 38.460 -0.390 0.000 1.237 157 Y HN 0.293 nan 8.280 nan 0.000 0.568 158 Q N 1.565 121.345 119.800 -0.033 0.000 2.350 158 Q HA 0.116 4.456 4.340 -0.000 0.000 0.225 158 Q C -0.484 175.530 176.000 0.024 0.000 0.878 158 Q CA 0.264 56.072 55.803 0.008 0.000 0.935 158 Q CB 0.725 29.437 28.738 -0.043 0.000 1.099 158 Q HN 0.615 nan 8.270 nan 0.000 0.527 159 S N -1.278 114.357 115.700 -0.109 0.000 2.541 159 S HA 0.746 5.216 4.470 -0.000 0.000 0.271 159 S C -0.990 173.418 174.600 -0.319 0.000 1.133 159 S CA -0.860 57.294 58.200 -0.076 0.000 0.876 159 S CB 0.962 64.115 63.200 -0.080 0.000 1.105 159 S HN 0.017 nan 8.310 nan 0.000 0.470 160 F N 0.866 120.761 119.950 -0.091 0.000 2.593 160 F HA 0.706 5.233 4.527 -0.000 0.000 0.320 160 F C 0.101 175.803 175.800 -0.162 0.000 1.060 160 F CA -0.812 57.121 58.000 -0.112 0.000 0.940 160 F CB 2.205 41.153 39.000 -0.088 0.000 1.268 160 F HN 0.748 nan 8.300 nan 0.000 0.475 161 K N 2.636 123.051 120.400 0.025 0.000 2.502 161 K HA 0.560 4.879 4.320 -0.000 0.000 0.254 161 K C -1.486 175.083 176.600 -0.051 0.000 0.947 161 K CA -0.423 55.825 56.287 -0.065 0.000 0.834 161 K CB 1.003 33.453 32.500 -0.083 0.000 1.112 161 K HN 0.709 nan 8.250 nan 0.000 0.427 162 M N 4.184 123.743 119.600 -0.068 0.000 2.108 162 M HA 0.267 4.747 4.480 -0.000 0.000 0.354 162 M C -0.276 175.964 176.300 -0.100 0.000 1.229 162 M CA -0.630 54.625 55.300 -0.075 0.000 1.081 162 M CB 1.254 33.812 32.600 -0.069 0.000 1.606 162 M HN 0.237 nan 8.290 nan 0.000 0.467 163 K N 3.861 124.188 120.400 -0.122 0.000 2.276 163 K HA 0.464 4.783 4.320 -0.000 0.000 0.285 163 K C -0.307 176.202 176.600 -0.151 0.000 1.062 163 K CA -0.140 56.050 56.287 -0.162 0.000 0.918 163 K CB 0.918 33.281 32.500 -0.228 0.000 1.055 163 K HN 0.644 nan 8.250 nan 0.000 0.477 164 V N -1.504 118.316 119.914 -0.158 0.000 3.119 164 V HA 0.903 5.023 4.120 -0.000 0.000 0.309 164 V C 0.556 176.557 176.094 -0.154 0.000 1.304 164 V CA -0.166 62.066 62.300 -0.112 0.000 1.057 164 V CB 1.311 33.113 31.823 -0.036 0.000 1.150 164 V HN 0.798 nan 8.190 nan 0.000 0.474 165 G N -0.585 108.175 108.800 -0.067 0.000 2.155 165 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.135 165 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.135 165 G C 0.457 175.370 174.900 0.021 0.000 1.023 165 G CA 0.915 45.968 45.100 -0.078 0.000 0.688 165 G HN 1.841 nan 8.290 nan 0.000 0.499 166 T N -3.102 111.483 114.554 0.052 0.000 3.046 166 T HA 0.341 4.691 4.350 -0.000 0.000 0.242 166 T C 0.630 175.379 174.700 0.081 0.000 1.018 166 T CA 1.201 63.324 62.100 0.039 0.000 1.131 166 T CB 0.469 69.339 68.868 0.003 0.000 0.904 166 T HN 0.909 nan 8.240 nan 0.000 0.459 167 N N -0.050 118.718 118.700 0.113 0.000 2.578 167 N HA 0.283 5.023 4.740 -0.000 0.000 0.282 167 N C 0.459 176.034 175.510 0.109 0.000 1.119 167 N CA -0.007 53.101 53.050 0.098 0.000 0.948 167 N CB 1.813 40.327 38.487 0.046 0.000 1.546 167 N HN -0.034 nan 8.380 nan 0.000 0.525 168 V N 4.454 124.412 119.914 0.072 0.000 2.252 168 V HA -0.297 3.823 4.120 -0.000 0.000 0.255 168 V C 2.050 178.114 176.094 -0.051 0.000 1.071 168 V CA 2.516 64.768 62.300 -0.079 0.000 1.050 168 V CB -0.372 31.252 31.823 -0.332 0.000 0.654 168 V HN 0.826 nan 8.190 nan 0.000 0.448 169 K N -0.989 119.386 120.400 -0.042 0.000 2.209 169 K HA -0.187 4.133 4.320 -0.000 0.000 0.204 169 K C 2.053 178.652 176.600 -0.002 0.000 1.048 169 K CA 1.975 58.244 56.287 -0.030 0.000 0.940 169 K CB -0.081 32.402 32.500 -0.027 0.000 0.729 169 K HN 0.747 nan 8.250 nan 0.000 0.451 170 E N 0.016 120.227 120.200 0.018 0.000 2.075 170 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 170 E C 1.563 178.187 176.600 0.041 0.000 0.969 170 E CA 0.686 57.100 56.400 0.024 0.000 0.815 170 E CB 0.071 29.784 29.700 0.022 0.000 0.776 170 E HN 0.266 nan 8.360 nan 0.000 0.457 171 D N 1.059 121.510 120.400 0.086 0.000 2.133 171 D HA -0.166 4.473 4.640 -0.000 0.000 0.195 171 D C 2.279 178.639 176.300 0.100 0.000 0.997 171 D CA 1.732 55.805 54.000 0.123 0.000 0.840 171 D CB -0.308 40.658 40.800 0.278 0.000 0.947 171 D HN 0.181 nan 8.370 nan 0.000 0.452 172 V N -0.132 119.831 119.914 0.082 0.000 2.343 172 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 172 V C 2.352 178.463 176.094 0.029 0.000 1.051 172 V CA 1.616 63.946 62.300 0.050 0.000 1.036 172 V CB -0.704 31.128 31.823 0.013 0.000 0.654 172 V HN -0.091 nan 8.190 nan 0.000 0.451 173 K N 0.993 121.405 120.400 0.020 0.000 2.074 173 K HA -0.165 4.154 4.320 -0.000 0.000 0.209 173 K C 2.314 178.915 176.600 0.001 0.000 1.048 173 K CA 1.986 58.278 56.287 0.009 0.000 0.926 173 K CB -0.429 32.074 32.500 0.005 0.000 0.713 173 K HN 0.595 nan 8.250 nan 0.000 0.444 174 R N -0.251 120.250 120.500 0.001 0.000 2.115 174 R HA 0.012 4.352 4.340 -0.000 0.000 0.226 174 R C 2.095 178.379 176.300 -0.027 0.000 1.100 174 R CA 1.066 57.157 56.100 -0.016 0.000 0.980 174 R CB -0.311 29.979 30.300 -0.016 0.000 0.875 174 R HN 0.136 nan 8.270 nan 0.000 0.445 175 I N 1.747 122.308 120.570 -0.014 0.000 2.072 175 I HA -0.230 3.940 4.170 -0.000 0.000 0.235 175 I C 1.921 178.007 176.117 -0.052 0.000 1.058 175 I CA 1.673 62.953 61.300 -0.033 0.000 1.320 175 I CB -1.325 36.665 38.000 -0.017 0.000 1.047 175 I HN 0.108 nan 8.210 nan 0.000 0.397 176 E N 1.927 122.103 120.200 -0.040 0.000 2.267 176 E HA -0.129 4.221 4.350 -0.000 0.000 0.197 176 E C 2.126 178.705 176.600 -0.036 0.000 0.998 176 E CA 1.234 57.610 56.400 -0.039 0.000 0.830 176 E CB -0.730 28.978 29.700 0.013 0.000 0.751 176 E HN 0.504 nan 8.360 nan 0.000 0.491 177 A N 1.283 124.082 122.820 -0.035 0.000 1.851 177 A HA -0.193 4.126 4.320 -0.000 0.000 0.216 177 A C 2.533 180.078 177.584 -0.066 0.000 1.195 177 A CA 2.417 54.429 52.037 -0.042 0.000 0.622 177 A CB -1.142 17.835 19.000 -0.039 0.000 0.831 177 A HN 0.342 nan 8.150 nan 0.000 0.444 178 V N -1.391 118.471 119.914 -0.088 0.000 2.548 178 V HA -0.105 4.015 4.120 -0.000 0.000 0.249 178 V C 2.372 178.388 176.094 -0.131 0.000 1.055 178 V CA 2.419 64.640 62.300 -0.132 0.000 1.065 178 V CB -0.900 30.819 31.823 -0.173 0.000 0.681 178 V HN 0.517 nan 8.190 nan 0.000 0.462 179 R N 1.259 121.698 120.500 -0.102 0.000 2.073 179 R HA -0.151 4.189 4.340 -0.000 0.000 0.234 179 R C 2.352 178.610 176.300 -0.069 0.000 1.134 179 R CA 2.293 58.339 56.100 -0.090 0.000 0.952 179 R CB -1.148 29.098 30.300 -0.089 0.000 0.850 179 R HN 0.671 nan 8.270 nan 0.000 0.433 180 E N 0.376 120.543 120.200 -0.055 0.000 2.077 180 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 180 E C 1.895 178.467 176.600 -0.046 0.000 0.989 180 E CA 1.304 57.682 56.400 -0.037 0.000 0.800 180 E CB -0.193 29.493 29.700 -0.023 0.000 0.746 180 E HN 0.188 nan 8.360 nan 0.000 0.452 181 R N 0.684 121.145 120.500 -0.064 0.000 2.120 181 R HA -0.107 4.233 4.340 -0.000 0.000 0.234 181 R C 2.101 178.351 176.300 -0.083 0.000 1.123 181 R CA 1.697 57.753 56.100 -0.074 0.000 0.975 181 R CB -0.484 29.759 30.300 -0.094 0.000 0.866 181 R HN 0.221 nan 8.270 nan 0.000 0.446 182 V N -3.132 116.724 119.914 -0.098 0.000 3.427 182 V HA 0.546 4.666 4.120 -0.000 0.000 0.305 182 V C 0.806 176.874 176.094 -0.043 0.000 1.412 182 V CA 0.084 62.331 62.300 -0.089 0.000 1.086 182 V CB -0.351 31.381 31.823 -0.152 0.000 0.964 182 V HN 0.490 nan 8.190 nan 0.000 0.439 183 G N 1.910 110.689 108.800 -0.035 0.000 2.681 183 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.220 183 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.220 183 G C -0.191 174.700 174.900 -0.015 0.000 1.353 183 G CA 0.133 45.223 45.100 -0.017 0.000 0.872 183 G HN 0.521 nan 8.290 nan 0.000 0.557 184 N N 0.942 119.639 118.700 -0.004 0.000 2.401 184 N HA 0.235 4.975 4.740 -0.000 0.000 0.264 184 N C -0.126 175.388 175.510 0.006 0.000 1.238 184 N CA 0.076 53.125 53.050 -0.003 0.000 0.889 184 N CB 0.936 39.423 38.487 -0.000 0.000 1.196 184 N HN 0.512 nan 8.380 nan 0.000 0.511 185 D N -0.101 120.307 120.400 0.014 0.000 2.502 185 D HA 0.166 4.806 4.640 -0.000 0.000 0.232 185 D C 0.252 176.574 176.300 0.036 0.000 1.137 185 D CA -0.005 54.009 54.000 0.023 0.000 0.827 185 D CB 1.676 42.492 40.800 0.026 0.000 1.141 185 D HN 0.088 nan 8.370 nan 0.000 0.517 186 I N 2.328 122.924 120.570 0.043 0.000 2.352 186 I HA 0.239 4.409 4.170 -0.000 0.000 0.290 186 I C 0.829 176.983 176.117 0.062 0.000 1.036 186 I CA -0.854 60.496 61.300 0.084 0.000 1.336 186 I CB 0.482 38.551 38.000 0.115 0.000 1.407 186 I HN -0.182 nan 8.210 nan 0.000 0.497 187 A N 8.354 131.206 122.820 0.054 0.000 2.477 187 A HA 0.527 4.847 4.320 -0.000 0.000 0.246 187 A C -0.010 177.569 177.584 -0.008 0.000 1.078 187 A CA 0.086 52.120 52.037 -0.006 0.000 0.770 187 A CB 0.119 19.096 19.000 -0.038 0.000 1.011 187 A HN 0.667 nan 8.150 nan 0.000 0.494 188 I N 2.588 123.105 120.570 -0.089 0.000 2.534 188 I HA 0.440 4.609 4.170 -0.000 0.000 0.288 188 I C 0.039 176.000 176.117 -0.259 0.000 1.077 188 I CA -0.581 60.652 61.300 -0.112 0.000 1.051 188 I CB 2.047 39.998 38.000 -0.082 0.000 1.234 188 I HN 0.920 nan 8.210 nan 0.000 0.425 189 R N 5.317 125.614 120.500 -0.338 0.000 2.686 189 R HA 0.838 5.177 4.340 -0.000 0.000 0.286 189 R C -1.738 174.386 176.300 -0.294 0.000 0.969 189 R CA -0.772 55.000 56.100 -0.547 0.000 0.898 189 R CB 2.643 32.320 30.300 -1.037 0.000 1.183 189 R HN 0.388 nan 8.270 nan 0.000 0.456 190 V N 1.664 121.449 119.914 -0.216 0.000 2.555 190 V HA 0.436 4.556 4.120 -0.000 0.000 0.302 190 V C -1.486 174.553 176.094 -0.092 0.000 1.038 190 V CA -0.535 61.693 62.300 -0.120 0.000 0.887 190 V CB 1.799 33.580 31.823 -0.069 0.000 0.991 190 V HN 0.939 nan 8.190 nan 0.000 0.434 191 D N 3.943 124.278 120.400 -0.110 0.000 2.481 191 D HA 0.295 4.934 4.640 -0.000 0.000 0.246 191 D C 0.148 176.319 176.300 -0.214 0.000 1.109 191 D CA 0.029 53.963 54.000 -0.110 0.000 0.845 191 D CB 2.124 42.892 40.800 -0.054 0.000 1.160 191 D HN 0.524 nan 8.370 nan 0.000 0.534 192 V N 3.295 123.015 119.914 -0.324 0.000 3.621 192 V HA 0.179 4.299 4.120 -0.000 0.000 0.285 192 V C 0.240 176.151 176.094 -0.305 0.000 1.346 192 V CA 0.011 62.034 62.300 -0.462 0.000 1.104 192 V CB -0.975 30.216 31.823 -1.053 0.000 0.913 192 V HN 0.712 nan 8.190 nan 0.000 0.432 193 N N 2.198 120.791 118.700 -0.179 0.000 2.699 193 N HA -0.287 4.453 4.740 -0.000 0.000 0.256 193 N C 0.652 176.173 175.510 0.018 0.000 0.993 193 N CA 1.420 54.441 53.050 -0.048 0.000 0.759 193 N CB -1.055 37.352 38.487 -0.133 0.000 0.906 193 N HN 0.934 nan 8.380 nan 0.000 0.541 194 Q N -4.198 115.578 119.800 -0.040 0.000 2.324 194 Q HA -0.263 4.077 4.340 -0.000 0.000 0.200 194 Q C 1.498 177.490 176.000 -0.013 0.000 0.645 194 Q CA 1.448 57.251 55.803 -0.001 0.000 1.377 194 Q CB -1.814 26.965 28.738 0.069 0.000 1.486 194 Q HN 0.624 nan 8.270 nan 0.000 0.796 195 G N 0.200 108.941 108.800 -0.098 0.000 2.507 195 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.221 195 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.221 195 G C 0.561 175.540 174.900 0.132 0.000 1.119 195 G CA 1.179 46.252 45.100 -0.046 0.000 0.751 195 G HN 0.436 nan 8.290 nan 0.000 0.574 196 W N 0.046 121.364 121.300 0.029 0.000 3.047 196 W HA 0.338 4.998 4.660 -0.000 0.000 0.250 196 W C 1.601 178.138 176.519 0.030 0.000 1.314 196 W CA -0.058 57.302 57.345 0.026 0.000 1.540 196 W CB -0.081 29.395 29.460 0.027 0.000 1.127 196 W HN 0.192 nan 8.180 nan 0.000 0.679 197 K N -0.658 119.868 120.400 0.211 0.000 9.127 197 K HA -0.339 3.981 4.320 -0.000 0.000 0.501 197 K C 0.281 176.958 176.600 0.128 0.000 0.371 197 K CA 2.415 58.785 56.287 0.138 0.000 1.951 197 K CB -1.603 30.965 32.500 0.114 0.000 0.721 197 K HN 0.432 nan 8.250 nan 0.000 1.023 198 N N -1.875 116.912 118.700 0.144 0.000 2.761 198 N HA 0.478 5.218 4.740 -0.000 0.000 0.283 198 N C 0.466 176.063 175.510 0.145 0.000 1.377 198 N CA -0.186 52.935 53.050 0.119 0.000 0.791 198 N CB 1.193 39.729 38.487 0.080 0.000 1.540 198 N HN -0.005 nan 8.380 nan 0.000 0.539 199 S N -1.529 114.251 115.700 0.134 0.000 2.406 199 S HA -0.032 4.438 4.470 -0.000 0.000 0.228 199 S C 1.782 176.459 174.600 0.128 0.000 1.020 199 S CA 0.660 58.960 58.200 0.167 0.000 0.965 199 S CB -0.953 62.404 63.200 0.263 0.000 0.798 199 S HN 0.736 nan 8.310 nan 0.000 0.488 200 A N 3.363 126.238 122.820 0.091 0.000 1.858 200 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 200 A C 2.187 179.776 177.584 0.007 0.000 1.190 200 A CA 1.733 53.800 52.037 0.050 0.000 0.617 200 A CB -1.023 17.997 19.000 0.032 0.000 0.827 200 A HN 0.561 nan 8.150 nan 0.000 0.443 201 N N -0.139 118.564 118.700 0.006 0.000 2.069 201 N HA -0.119 4.621 4.740 -0.000 0.000 0.191 201 N C 1.780 177.179 175.510 -0.184 0.000 1.031 201 N CA 1.986 54.990 53.050 -0.077 0.000 0.852 201 N CB -1.082 37.396 38.487 -0.015 0.000 1.018 201 N HN 0.507 nan 8.380 nan 0.000 0.423 202 T N 2.133 116.688 114.554 0.002 0.000 2.652 202 T HA -0.042 4.307 4.350 -0.000 0.000 0.267 202 T C 2.146 176.812 174.700 -0.057 0.000 1.039 202 T CA 0.801 62.947 62.100 0.077 0.000 1.153 202 T CB -0.368 68.706 68.868 0.343 0.000 0.863 202 T HN 0.142 nan 8.240 nan 0.000 0.428 203 L N 0.620 121.841 121.223 -0.003 0.000 2.131 203 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 203 L C 2.870 179.695 176.870 -0.075 0.000 1.092 203 L CA 1.120 55.950 54.840 -0.017 0.000 0.759 203 L CB -0.906 41.160 42.059 0.011 0.000 0.903 203 L HN 0.315 nan 8.230 nan 0.000 0.435 204 T N -0.290 114.192 114.554 -0.120 0.000 2.737 204 T HA -0.127 4.222 4.350 -0.000 0.000 0.265 204 T C 2.042 176.615 174.700 -0.212 0.000 1.038 204 T CA 1.243 63.259 62.100 -0.141 0.000 1.144 204 T CB -0.193 68.589 68.868 -0.143 0.000 0.866 204 T HN 0.441 nan 8.240 nan 0.000 0.434 205 A N 1.499 124.082 122.820 -0.395 0.000 1.883 205 A HA -0.015 4.304 4.320 -0.000 0.000 0.217 205 A C 2.298 179.723 177.584 -0.266 0.000 1.186 205 A CA 1.257 52.977 52.037 -0.528 0.000 0.624 205 A CB -0.950 17.231 19.000 -1.364 0.000 0.822 205 A HN 0.479 nan 8.150 nan 0.000 0.444 206 L N -0.147 120.974 121.223 -0.170 0.000 2.127 206 L HA -0.240 4.100 4.340 -0.000 0.000 0.211 206 L C 2.795 179.664 176.870 -0.001 0.000 1.089 206 L CA 1.773 56.604 54.840 -0.015 0.000 0.757 206 L CB -0.620 41.464 42.059 0.042 0.000 0.899 206 L HN 0.603 nan 8.230 nan 0.000 0.434 207 R N -0.609 119.875 120.500 -0.025 0.000 2.189 207 R HA -0.050 4.290 4.340 -0.000 0.000 0.223 207 R C 1.598 177.912 176.300 0.023 0.000 1.092 207 R CA 1.371 57.470 56.100 -0.002 0.000 0.989 207 R CB -0.512 29.777 30.300 -0.019 0.000 0.876 207 R HN 0.120 nan 8.270 nan 0.000 0.457 208 S N 0.540 116.247 115.700 0.011 0.000 2.605 208 S HA 0.271 4.740 4.470 -0.000 0.000 0.217 208 S C 0.986 175.667 174.600 0.135 0.000 0.958 208 S CA 0.007 58.244 58.200 0.062 0.000 0.919 208 S CB 0.272 63.476 63.200 0.007 0.000 0.780 208 S HN 0.276 nan 8.310 nan 0.000 0.507 209 L N -0.034 121.241 121.223 0.087 0.000 3.135 209 L HA 0.335 4.674 4.340 -0.000 0.000 0.279 209 L C 2.040 178.915 176.870 0.008 0.000 1.200 209 L CA -0.063 54.788 54.840 0.018 0.000 1.016 209 L CB 0.040 42.118 42.059 0.032 0.000 1.391 209 L HN 0.337 nan 8.230 nan 0.000 0.588 210 G N 0.336 109.201 108.800 0.108 0.000 2.422 210 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 210 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 210 G C 1.399 176.354 174.900 0.091 0.000 1.140 210 G CA 0.815 45.969 45.100 0.091 0.000 0.775 210 G HN 0.572 nan 8.290 nan 0.000 0.545 211 H N 0.010 119.083 119.070 0.006 0.000 2.551 211 H HA 0.215 4.771 4.556 -0.000 0.000 0.266 211 H C 1.936 177.266 175.328 0.002 0.000 0.964 211 H CA 0.004 56.054 56.048 0.003 0.000 1.180 211 H CB -0.451 29.310 29.762 -0.001 0.000 1.408 211 H HN 0.323 nan 8.280 nan 0.000 0.563 212 L N 0.471 121.387 121.223 -0.512 0.000 2.599 212 L HA -0.011 4.329 4.340 -0.000 0.000 0.230 212 L C 0.589 177.367 176.870 -0.153 0.000 1.141 212 L CA 0.177 54.801 54.840 -0.360 0.000 0.877 212 L CB -0.460 41.369 42.059 -0.383 0.000 1.009 212 L HN 0.239 nan 8.230 nan 0.000 0.447 213 N N 1.478 120.123 118.700 -0.092 0.000 2.708 213 N HA -0.191 4.549 4.740 -0.000 0.000 0.255 213 N C -0.518 174.962 175.510 -0.050 0.000 1.046 213 N CA 0.315 53.339 53.050 -0.044 0.000 0.715 213 N CB -0.618 37.851 38.487 -0.030 0.000 0.895 213 N HN 0.127 nan 8.380 nan 0.000 0.545 214 I N 1.406 121.947 120.570 -0.048 0.000 2.441 214 I HA 0.068 4.238 4.170 -0.000 0.000 0.287 214 I C 1.727 177.816 176.117 -0.047 0.000 1.049 214 I CA -0.249 61.011 61.300 -0.066 0.000 1.381 214 I CB 0.822 38.794 38.000 -0.046 0.000 1.409 214 I HN 0.077 nan 8.210 nan 0.000 0.523 215 D N 4.524 124.841 120.400 -0.138 0.000 2.123 215 D HA -0.097 4.543 4.640 -0.000 0.000 0.196 215 D C -0.438 175.961 176.300 0.166 0.000 0.992 215 D CA 1.967 55.917 54.000 -0.084 0.000 0.833 215 D CB 0.065 40.618 40.800 -0.412 0.000 0.954 215 D HN 0.593 nan 8.370 nan 0.000 0.455 216 W N -1.650 119.659 121.300 0.014 0.000 3.173 216 W HA 0.473 5.132 4.660 -0.001 0.000 0.313 216 W C -2.094 174.429 176.519 0.007 0.000 1.228 216 W CA -1.092 56.261 57.345 0.013 0.000 1.185 216 W CB -0.050 29.414 29.460 0.007 0.000 1.390 216 W HN -0.378 nan 8.180 nan 0.000 0.568 217 I N 2.506 123.273 120.570 0.328 0.000 2.336 217 I HA 0.298 4.468 4.170 -0.000 0.000 0.292 217 I C 0.063 176.310 176.117 0.215 0.000 0.991 217 I CA -0.788 60.629 61.300 0.195 0.000 1.227 217 I CB 1.600 39.697 38.000 0.161 0.000 1.366 217 I HN 0.520 nan 8.210 nan 0.000 0.466 218 E N 4.808 125.095 120.200 0.145 0.000 2.175 218 E HA 0.259 4.608 4.350 -0.000 0.000 0.278 218 E C -0.476 176.111 176.600 -0.021 0.000 0.969 218 E CA -0.844 55.619 56.400 0.105 0.000 0.796 218 E CB 0.809 30.603 29.700 0.157 0.000 1.104 218 E HN 0.435 nan 8.360 nan 0.000 0.395 219 Q N 3.953 123.749 119.800 -0.007 0.000 2.394 219 Q HA -0.167 4.173 4.340 -0.000 0.000 0.369 219 Q C -1.986 173.963 176.000 -0.085 0.000 1.312 219 Q CA 0.672 56.461 55.803 -0.022 0.000 1.155 219 Q CB -0.113 28.624 28.738 -0.002 0.000 1.311 219 Q HN 0.472 nan 8.270 nan 0.000 0.315 220 P HA -0.055 nan 4.420 nan 0.000 0.224 220 P C 0.482 177.782 177.300 0.000 0.000 1.157 220 P CA 1.249 64.261 63.100 -0.147 0.000 0.799 220 P CB 0.134 31.867 31.700 0.056 0.000 0.809 221 V N -1.843 118.105 119.914 0.057 0.000 3.193 221 V HA 0.454 4.574 4.120 -0.000 0.000 0.320 221 V C 0.747 176.874 176.094 0.056 0.000 1.112 221 V CA -1.838 60.513 62.300 0.084 0.000 1.026 221 V CB 0.852 32.736 31.823 0.101 0.000 1.128 221 V HN -0.012 nan 8.190 nan 0.000 0.452 222 I N 0.148 120.754 120.570 0.060 0.000 2.775 222 I HA 0.416 4.586 4.170 -0.000 0.000 0.290 222 I C 1.670 177.809 176.117 0.038 0.000 1.203 222 I CA 0.389 61.717 61.300 0.046 0.000 1.433 222 I CB 0.312 38.338 38.000 0.042 0.000 1.354 222 I HN 0.924 nan 8.210 nan 0.000 0.579 223 A N 4.234 127.072 122.820 0.030 0.000 1.896 223 A HA -0.270 4.049 4.320 -0.000 0.000 0.220 223 A C 1.759 179.358 177.584 0.026 0.000 1.206 223 A CA 2.406 54.459 52.037 0.026 0.000 0.647 223 A CB -0.849 18.162 19.000 0.018 0.000 0.828 223 A HN 0.933 nan 8.150 nan 0.000 0.455 224 D N -0.039 120.376 120.400 0.025 0.000 2.309 224 D HA -0.048 4.592 4.640 -0.000 0.000 0.212 224 D C 0.185 176.502 176.300 0.028 0.000 0.968 224 D CA 0.762 54.778 54.000 0.026 0.000 0.882 224 D CB -0.247 40.568 40.800 0.025 0.000 0.918 224 D HN 0.349 nan 8.370 nan 0.000 0.503 225 D N 0.421 120.841 120.400 0.033 0.000 2.558 225 D HA 0.110 4.750 4.640 -0.000 0.000 0.221 225 D C 1.380 177.705 176.300 0.041 0.000 1.143 225 D CA -0.168 53.855 54.000 0.037 0.000 1.010 225 D CB -0.061 40.765 40.800 0.043 0.000 1.068 225 D HN 0.130 nan 8.370 nan 0.000 0.511 226 I N 0.908 121.499 120.570 0.035 0.000 2.439 226 I HA -0.184 3.986 4.170 -0.000 0.000 0.251 226 I C 1.790 177.933 176.117 0.044 0.000 1.139 226 I CA 0.523 61.843 61.300 0.034 0.000 1.438 226 I CB 0.171 38.187 38.000 0.026 0.000 1.085 226 I HN 0.204 nan 8.210 nan 0.000 0.427 227 D N 1.419 121.844 120.400 0.043 0.000 2.123 227 D HA -0.193 4.446 4.640 -0.000 0.000 0.196 227 D C 2.259 178.607 176.300 0.080 0.000 0.992 227 D CA 1.722 55.752 54.000 0.051 0.000 0.833 227 D CB 0.031 40.851 40.800 0.033 0.000 0.954 227 D HN 0.358 nan 8.370 nan 0.000 0.455 228 A N 0.872 123.737 122.820 0.076 0.000 1.940 228 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 228 A C 2.136 179.800 177.584 0.132 0.000 1.176 228 A CA 1.479 53.582 52.037 0.111 0.000 0.631 228 A CB -0.461 18.593 19.000 0.091 0.000 0.814 228 A HN 0.101 nan 8.150 nan 0.000 0.446 229 M N -0.033 119.622 119.600 0.093 0.000 2.117 229 M HA -0.064 4.416 4.480 -0.000 0.000 0.262 229 M C 2.246 178.590 176.300 0.073 0.000 1.065 229 M CA 1.636 56.982 55.300 0.078 0.000 1.114 229 M CB -0.661 31.970 32.600 0.053 0.000 1.361 229 M HN 0.414 nan 8.290 nan 0.000 0.408 230 A N -1.677 121.187 122.820 0.075 0.000 1.930 230 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 230 A C 2.266 179.898 177.584 0.080 0.000 1.175 230 A CA 1.838 53.914 52.037 0.065 0.000 0.627 230 A CB -1.213 17.824 19.000 0.062 0.000 0.815 230 A HN 0.719 nan 8.150 nan 0.000 0.443 231 H N -0.186 118.902 119.070 0.030 0.000 2.357 231 H HA -0.042 4.514 4.556 -0.000 0.000 0.301 231 H C 1.953 177.302 175.328 0.036 0.000 1.082 231 H CA 1.772 57.838 56.048 0.030 0.000 1.342 231 H CB -0.045 29.735 29.762 0.030 0.000 1.389 231 H HN 0.470 nan 8.280 nan 0.000 0.511 232 I N 0.492 121.062 120.570 -0.000 0.000 2.179 232 I HA -0.267 3.902 4.170 -0.000 0.000 0.242 232 I C 2.921 179.010 176.117 -0.047 0.000 1.088 232 I CA 1.262 62.546 61.300 -0.027 0.000 1.357 232 I CB -0.319 37.726 38.000 0.075 0.000 1.051 232 I HN 0.163 nan 8.210 nan 0.000 0.409 233 R N 1.043 121.536 120.500 -0.011 0.000 2.159 233 R HA -0.179 4.161 4.340 -0.000 0.000 0.237 233 R C 2.381 178.662 176.300 -0.032 0.000 1.131 233 R CA 1.740 57.837 56.100 -0.006 0.000 0.982 233 R CB -0.160 30.145 30.300 0.009 0.000 0.868 233 R HN 0.478 nan 8.270 nan 0.000 0.453 234 S N -0.525 115.132 115.700 -0.072 0.000 2.481 234 S HA -0.015 4.455 4.470 -0.000 0.000 0.231 234 S C 1.175 175.718 174.600 -0.096 0.000 0.996 234 S CA 0.614 58.768 58.200 -0.077 0.000 0.942 234 S CB 0.200 63.349 63.200 -0.085 0.000 0.768 234 S HN 0.328 nan 8.310 nan 0.000 0.520 235 K N 0.691 121.013 120.400 -0.130 0.000 2.478 235 K HA 0.268 4.587 4.320 -0.000 0.000 0.205 235 K C -0.270 176.301 176.600 -0.049 0.000 1.033 235 K CA -0.028 56.198 56.287 -0.102 0.000 1.091 235 K CB 1.130 33.534 32.500 -0.160 0.000 0.844 235 K HN 0.305 nan 8.250 nan 0.000 0.507 236 T N 0.581 115.120 114.554 -0.025 0.000 2.900 236 T HA 0.132 4.482 4.350 -0.000 0.000 0.303 236 T C -1.077 173.634 174.700 0.018 0.000 1.142 236 T CA -0.682 61.421 62.100 0.006 0.000 1.007 236 T CB 1.519 70.403 68.868 0.026 0.000 1.156 236 T HN 0.196 nan 8.240 nan 0.000 0.490 237 D N 2.481 122.898 120.400 0.028 0.000 2.395 237 D HA 0.209 4.849 4.640 -0.000 0.000 0.213 237 D C 0.421 176.752 176.300 0.051 0.000 1.110 237 D CA -0.156 53.864 54.000 0.034 0.000 0.835 237 D CB -0.168 40.650 40.800 0.030 0.000 0.965 237 D HN 0.350 nan 8.370 nan 0.000 0.505 238 L N 1.105 122.365 121.223 0.063 0.000 2.331 238 L HA 0.359 4.699 4.340 -0.000 0.000 0.278 238 L C -2.108 174.823 176.870 0.103 0.000 1.106 238 L CA -1.958 52.935 54.840 0.089 0.000 0.824 238 L CB 0.971 43.090 42.059 0.101 0.000 1.142 238 L HN -0.247 nan 8.230 nan 0.000 0.443 239 P HA 0.112 nan 4.420 nan 0.000 0.266 239 P C -0.982 176.402 177.300 0.140 0.000 1.195 239 P CA 0.139 63.314 63.100 0.126 0.000 0.768 239 P CB 0.515 32.321 31.700 0.178 0.000 0.838 240 L N 3.138 124.399 121.223 0.064 0.000 2.346 240 L HA 0.614 4.953 4.340 -0.000 0.000 0.276 240 L C 0.086 176.934 176.870 -0.036 0.000 1.006 240 L CA -0.642 54.230 54.840 0.053 0.000 0.817 240 L CB 1.674 43.761 42.059 0.046 0.000 1.272 240 L HN 0.342 nan 8.230 nan 0.000 0.421 241 M N 3.994 123.571 119.600 -0.038 0.000 2.393 241 M HA 0.568 5.048 4.480 -0.000 0.000 0.316 241 M C -1.492 174.776 176.300 -0.054 0.000 1.087 241 M CA -0.436 54.783 55.300 -0.135 0.000 0.937 241 M CB 1.929 34.361 32.600 -0.281 0.000 1.668 241 M HN 0.490 nan 8.290 nan 0.000 0.438 242 I N 3.848 124.380 120.570 -0.064 0.000 2.359 242 I HA 0.236 4.406 4.170 -0.000 0.000 0.294 242 I C -0.215 175.884 176.117 -0.030 0.000 0.987 242 I CA -0.206 61.076 61.300 -0.030 0.000 1.225 242 I CB 1.566 39.553 38.000 -0.023 0.000 1.366 242 I HN 0.800 nan 8.210 nan 0.000 0.466 243 D N 3.183 123.579 120.400 -0.006 0.000 3.013 243 D HA 0.004 4.643 4.640 -0.000 0.000 0.235 243 D C 1.404 177.714 176.300 0.016 0.000 1.540 243 D CA 0.519 54.522 54.000 0.004 0.000 1.303 243 D CB 0.186 41.001 40.800 0.025 0.000 0.980 243 D HN 0.442 nan 8.370 nan 0.000 0.250 244 E N 0.067 120.290 120.200 0.037 0.000 2.273 244 E HA -0.004 4.346 4.350 -0.000 0.000 0.198 244 E C 1.779 178.392 176.600 0.023 0.000 1.002 244 E CA 1.187 57.611 56.400 0.039 0.000 0.828 244 E CB -0.416 29.317 29.700 0.056 0.000 0.747 244 E HN 0.418 nan 8.360 nan 0.000 0.491 245 G N -0.016 108.794 108.800 0.018 0.000 2.679 245 G HA2 -0.022 3.937 3.960 -0.000 0.000 0.212 245 G HA3 -0.022 3.937 3.960 -0.000 0.000 0.212 245 G C 0.173 175.077 174.900 0.006 0.000 1.137 245 G CA -0.042 45.066 45.100 0.014 0.000 0.787 245 G HN 0.146 nan 8.290 nan 0.000 0.534 246 L N -0.804 120.419 121.223 -0.000 0.000 2.349 246 L HA 0.613 4.953 4.340 -0.000 0.000 0.278 246 L C 0.361 177.224 176.870 -0.011 0.000 0.996 246 L CA -0.624 54.210 54.840 -0.010 0.000 0.825 246 L CB 1.650 43.695 42.059 -0.023 0.000 1.243 246 L HN -0.034 nan 8.230 nan 0.000 0.412 247 K N 1.913 122.305 120.400 -0.013 0.000 2.431 247 K HA 0.350 4.670 4.320 -0.000 0.000 0.213 247 K C 0.235 176.817 176.600 -0.030 0.000 1.258 247 K CA 0.458 56.735 56.287 -0.017 0.000 0.845 247 K CB 0.566 33.059 32.500 -0.012 0.000 1.498 247 K HN 0.696 nan 8.250 nan 0.000 0.451 248 S N -0.424 115.256 115.700 -0.033 0.000 2.806 248 S HA 0.280 4.749 4.470 -0.000 0.000 0.315 248 S C 0.847 175.425 174.600 -0.037 0.000 1.127 248 S CA -0.665 57.508 58.200 -0.044 0.000 0.918 248 S CB 1.588 64.754 63.200 -0.058 0.000 1.240 248 S HN 0.016 nan 8.310 nan 0.000 0.552 249 S N 0.295 115.970 115.700 -0.041 0.000 2.440 249 S HA -0.101 4.369 4.470 -0.000 0.000 0.238 249 S C 1.862 176.454 174.600 -0.014 0.000 1.010 249 S CA 1.122 59.302 58.200 -0.032 0.000 0.972 249 S CB -0.596 62.582 63.200 -0.036 0.000 0.774 249 S HN 0.681 nan 8.310 nan 0.000 0.501 250 R N 1.652 122.148 120.500 -0.006 0.000 2.083 250 R HA -0.153 4.187 4.340 -0.000 0.000 0.237 250 R C 1.993 178.299 176.300 0.011 0.000 1.137 250 R CA 1.816 57.923 56.100 0.013 0.000 0.951 250 R CB -0.202 30.116 30.300 0.030 0.000 0.851 250 R HN 0.461 nan 8.270 nan 0.000 0.434 251 E N 0.263 120.465 120.200 0.004 0.000 2.299 251 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 251 E C 1.859 178.457 176.600 -0.003 0.000 0.998 251 E CA 0.519 56.922 56.400 0.004 0.000 0.851 251 E CB -0.450 29.253 29.700 0.005 0.000 0.795 251 E HN 0.291 nan 8.360 nan 0.000 0.492 252 M N 2.044 121.637 119.600 -0.012 0.000 2.117 252 M HA -0.121 4.359 4.480 -0.000 0.000 0.262 252 M C 2.379 178.673 176.300 -0.011 0.000 1.065 252 M CA 1.669 56.958 55.300 -0.017 0.000 1.114 252 M CB -0.318 32.266 32.600 -0.027 0.000 1.361 252 M HN 0.027 nan 8.290 nan 0.000 0.408 253 R N -0.632 119.864 120.500 -0.006 0.000 2.083 253 R HA -0.229 4.111 4.340 -0.000 0.000 0.237 253 R C 2.389 178.691 176.300 0.003 0.000 1.137 253 R CA 2.214 58.314 56.100 -0.001 0.000 0.951 253 R CB -0.481 29.821 30.300 0.004 0.000 0.851 253 R HN 0.673 nan 8.270 nan 0.000 0.434 254 Q N 0.272 120.075 119.800 0.006 0.000 2.079 254 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 254 Q C 2.120 178.125 176.000 0.007 0.000 0.974 254 Q CA 1.665 57.473 55.803 0.009 0.000 0.840 254 Q CB -0.031 28.714 28.738 0.013 0.000 0.898 254 Q HN 0.460 nan 8.270 nan 0.000 0.430 255 I N 0.355 120.926 120.570 0.002 0.000 2.226 255 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 255 I C 2.126 178.242 176.117 -0.003 0.000 1.100 255 I CA 1.020 62.319 61.300 -0.001 0.000 1.374 255 I CB -0.189 37.804 38.000 -0.010 0.000 1.057 255 I HN 0.278 nan 8.210 nan 0.000 0.413 256 I N 0.481 121.048 120.570 -0.005 0.000 2.202 256 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 256 I C 2.600 178.717 176.117 0.000 0.000 1.091 256 I CA 1.161 62.458 61.300 -0.005 0.000 1.368 256 I CB -0.285 37.711 38.000 -0.007 0.000 1.058 256 I HN 0.124 nan 8.210 nan 0.000 0.410 257 K N 1.591 121.993 120.400 0.003 0.000 2.032 257 K HA -0.111 4.209 4.320 -0.000 0.000 0.209 257 K C 1.756 178.362 176.600 0.010 0.000 1.048 257 K CA 1.741 58.032 56.287 0.007 0.000 0.927 257 K CB -0.333 32.172 32.500 0.008 0.000 0.712 257 K HN 0.269 nan 8.250 nan 0.000 0.441 258 L N 0.557 121.787 121.223 0.012 0.000 2.591 258 L HA 0.158 4.498 4.340 -0.000 0.000 0.228 258 L C -0.226 176.654 176.870 0.017 0.000 1.133 258 L CA 0.119 54.969 54.840 0.018 0.000 0.880 258 L CB -0.363 41.710 42.059 0.023 0.000 1.033 258 L HN 0.260 nan 8.230 nan 0.000 0.450 259 E N -0.133 120.073 120.200 0.009 0.000 2.320 259 E HA -0.270 4.080 4.350 -0.000 0.000 0.234 259 E C 1.013 177.618 176.600 0.009 0.000 1.183 259 E CA 0.295 56.698 56.400 0.006 0.000 0.713 259 E CB -0.941 28.763 29.700 0.007 0.000 1.226 259 E HN 0.584 nan 8.360 nan 0.000 0.382 260 A N -0.224 122.601 122.820 0.009 0.000 2.208 260 A HA 0.471 4.790 4.320 -0.000 0.000 0.209 260 A C 0.818 178.405 177.584 0.006 0.000 1.161 260 A CA 1.075 53.121 52.037 0.014 0.000 0.782 260 A CB 0.469 19.480 19.000 0.019 0.000 0.816 260 A HN 0.581 nan 8.150 nan 0.000 0.477 261 A N -1.325 121.490 122.820 -0.009 0.000 2.612 261 A HA 0.543 4.863 4.320 -0.000 0.000 0.293 261 A C -0.428 177.132 177.584 -0.039 0.000 1.075 261 A CA -0.257 51.765 52.037 -0.024 0.000 0.680 261 A CB 0.444 19.422 19.000 -0.038 0.000 1.279 261 A HN -0.001 nan 8.150 nan 0.000 0.411 262 D N 0.414 120.782 120.400 -0.054 0.000 2.271 262 D HA 0.083 4.722 4.640 -0.000 0.000 0.206 262 D C 0.087 176.315 176.300 -0.121 0.000 0.967 262 D CA 1.239 55.198 54.000 -0.068 0.000 0.867 262 D CB 0.375 41.144 40.800 -0.051 0.000 0.960 262 D HN 0.629 nan 8.370 nan 0.000 0.509 263 K N 0.090 120.389 120.400 -0.169 0.000 2.556 263 K HA 0.519 4.838 4.320 -0.000 0.000 0.274 263 K C -0.779 175.700 176.600 -0.202 0.000 0.966 263 K CA -0.903 55.246 56.287 -0.229 0.000 0.865 263 K CB 2.631 34.887 32.500 -0.408 0.000 1.444 263 K HN -0.160 nan 8.250 nan 0.000 0.433 264 V N -1.625 118.182 119.914 -0.180 0.000 2.864 264 V HA 0.557 4.677 4.120 -0.000 0.000 0.314 264 V C -0.872 175.138 176.094 -0.140 0.000 1.073 264 V CA -0.873 61.347 62.300 -0.133 0.000 0.956 264 V CB 1.787 33.555 31.823 -0.091 0.000 1.023 264 V HN 0.866 nan 8.190 nan 0.000 0.435 265 N N 2.670 121.309 118.700 -0.101 0.000 2.546 265 N HA 0.470 5.209 4.740 -0.000 0.000 0.238 265 N C -0.818 174.653 175.510 -0.065 0.000 0.984 265 N CA -0.452 52.549 53.050 -0.082 0.000 0.935 265 N CB 0.558 39.017 38.487 -0.047 0.000 1.122 265 N HN 0.813 nan 8.380 nan 0.000 0.510 266 I N 2.633 123.157 120.570 -0.077 0.000 2.395 266 I HA 0.205 4.374 4.170 -0.000 0.000 0.289 266 I C 0.423 176.501 176.117 -0.066 0.000 1.023 266 I CA -0.173 61.086 61.300 -0.069 0.000 1.350 266 I CB 0.776 38.728 38.000 -0.079 0.000 1.409 266 I HN 0.140 nan 8.210 nan 0.000 0.507 267 K N 6.373 126.743 120.400 -0.049 0.000 2.471 267 K HA 0.392 4.712 4.320 -0.000 0.000 0.252 267 K C 0.517 177.099 176.600 -0.030 0.000 0.938 267 K CA -0.729 55.532 56.287 -0.044 0.000 0.796 267 K CB 2.481 34.965 32.500 -0.026 0.000 1.161 267 K HN 0.531 nan 8.250 nan 0.000 0.425 268 L N 1.686 122.892 121.223 -0.030 0.000 2.081 268 L HA -0.227 4.112 4.340 -0.000 0.000 0.212 268 L C 1.846 178.727 176.870 0.018 0.000 1.080 268 L CA 1.357 56.194 54.840 -0.004 0.000 0.754 268 L CB -0.407 41.654 42.059 0.004 0.000 0.893 268 L HN 0.716 nan 8.230 nan 0.000 0.433 269 M N -0.442 119.168 119.600 0.016 0.000 2.460 269 M HA -0.124 4.355 4.480 -0.000 0.000 0.263 269 M C 1.914 178.229 176.300 0.026 0.000 1.071 269 M CA 1.463 56.781 55.300 0.030 0.000 1.096 269 M CB -0.779 31.840 32.600 0.033 0.000 1.408 269 M HN 0.234 nan 8.290 nan 0.000 0.463 270 K N -0.586 119.822 120.400 0.012 0.000 2.323 270 K HA 0.022 4.341 4.320 -0.000 0.000 0.197 270 K C 1.800 178.397 176.600 -0.006 0.000 1.043 270 K CA 0.978 57.269 56.287 0.006 0.000 0.997 270 K CB 0.322 32.822 32.500 0.001 0.000 0.807 270 K HN 0.518 nan 8.250 nan 0.000 0.497 271 C N -2.406 116.891 119.300 -0.005 0.000 3.230 271 C HA 0.502 4.961 4.460 -0.000 0.000 0.300 271 C C 1.269 176.269 174.990 0.017 0.000 1.292 271 C CA -0.029 58.981 59.018 -0.014 0.000 1.707 271 C CB 0.046 27.764 27.740 -0.037 0.000 2.181 271 C HN 0.474 nan 8.230 nan 0.000 0.655 272 G N 0.050 108.883 108.800 0.055 0.000 2.141 272 G HA2 0.442 4.401 3.960 -0.000 0.000 0.164 272 G HA3 0.442 4.401 3.960 -0.000 0.000 0.164 272 G C 0.644 175.675 174.900 0.219 0.000 1.009 272 G CA 0.228 45.409 45.100 0.135 0.000 0.677 272 G HN 2.453 nan 8.290 nan 0.000 0.508 273 G N -1.233 107.649 108.800 0.135 0.000 2.483 273 G HA2 0.083 4.043 3.960 -0.000 0.000 0.521 273 G HA3 0.083 4.043 3.960 -0.000 0.000 0.521 273 G C 0.874 175.831 174.900 0.095 0.000 1.278 273 G CA -0.090 45.103 45.100 0.155 0.000 0.965 273 G HN 0.936 nan 8.290 nan 0.000 0.504 274 I N -0.512 120.105 120.570 0.077 0.000 2.118 274 I HA -0.204 3.966 4.170 -0.000 0.000 0.241 274 I C 2.418 178.521 176.117 -0.023 0.000 1.070 274 I CA 2.433 63.673 61.300 -0.100 0.000 1.327 274 I CB -0.370 37.318 38.000 -0.520 0.000 1.034 274 I HN 0.553 nan 8.210 nan 0.000 0.405 275 Y N 1.629 121.942 120.300 0.022 0.000 2.097 275 Y HA -0.213 4.336 4.550 -0.000 0.000 0.282 275 Y C -0.376 175.439 175.900 -0.140 0.000 1.152 275 Y CA 1.677 59.782 58.100 0.008 0.000 1.136 275 Y CB -1.116 37.397 38.460 0.089 0.000 0.975 275 Y HN 0.136 nan 8.280 nan 0.000 0.498 276 P HA -0.163 nan 4.420 nan 0.000 0.218 276 P C 1.135 178.324 177.300 -0.186 0.000 1.149 276 P CA 2.101 65.064 63.100 -0.228 0.000 0.817 276 P CB -0.191 31.425 31.700 -0.140 0.000 0.785 277 A N -0.556 122.186 122.820 -0.131 0.000 1.898 277 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 277 A C 2.309 179.779 177.584 -0.190 0.000 1.181 277 A CA 1.609 53.569 52.037 -0.128 0.000 0.620 277 A CB -1.682 17.264 19.000 -0.090 0.000 0.819 277 A HN 0.020 nan 8.150 nan 0.000 0.442 278 V N 0.237 120.008 119.914 -0.239 0.000 2.343 278 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 278 V C 2.450 178.207 176.094 -0.561 0.000 1.051 278 V CA 2.363 64.438 62.300 -0.375 0.000 1.036 278 V CB -0.652 30.979 31.823 -0.320 0.000 0.654 278 V HN 0.548 nan 8.190 nan 0.000 0.451 279 K N -0.306 119.830 120.400 -0.440 0.000 2.057 279 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 279 K C 2.112 178.590 176.600 -0.202 0.000 1.049 279 K CA 1.300 57.388 56.287 -0.332 0.000 0.931 279 K CB -0.294 32.022 32.500 -0.307 0.000 0.714 279 K HN 0.361 nan 8.250 nan 0.000 0.440 280 L N 0.460 121.575 121.223 -0.181 0.000 2.046 280 L HA -0.193 4.146 4.340 -0.000 0.000 0.208 280 L C 2.590 179.402 176.870 -0.096 0.000 1.077 280 L CA 1.104 55.876 54.840 -0.114 0.000 0.747 280 L CB -0.576 41.421 42.059 -0.103 0.000 0.896 280 L HN 0.218 nan 8.230 nan 0.000 0.432 281 A N -0.692 122.044 122.820 -0.139 0.000 1.902 281 A HA -0.244 4.075 4.320 -0.000 0.000 0.217 281 A C 1.988 179.580 177.584 0.013 0.000 1.181 281 A CA 1.622 53.607 52.037 -0.087 0.000 0.623 281 A CB -0.932 17.997 19.000 -0.118 0.000 0.818 281 A HN 0.509 nan 8.150 nan 0.000 0.443 282 H N -1.172 117.859 119.070 -0.064 0.000 2.389 282 H HA -0.098 4.458 4.556 -0.000 0.000 0.299 282 H C 2.406 177.702 175.328 -0.054 0.000 1.081 282 H CA 1.265 57.278 56.048 -0.058 0.000 1.345 282 H CB 0.088 29.813 29.762 -0.063 0.000 1.393 282 H HN 0.611 nan 8.280 nan 0.000 0.520 283 Q N 0.470 120.309 119.800 0.064 0.000 2.046 283 Q HA -0.078 4.262 4.340 -0.000 0.000 0.200 283 Q C 2.682 178.683 176.000 0.001 0.000 0.975 283 Q CA 1.057 56.870 55.803 0.016 0.000 0.836 283 Q CB -0.020 28.712 28.738 -0.011 0.000 0.896 283 Q HN 0.434 nan 8.270 nan 0.000 0.428 284 A N 1.117 123.931 122.820 -0.011 0.000 1.940 284 A HA -0.286 4.033 4.320 -0.000 0.000 0.219 284 A C 1.911 179.486 177.584 -0.016 0.000 1.176 284 A CA 1.757 53.781 52.037 -0.023 0.000 0.631 284 A CB -0.574 18.403 19.000 -0.039 0.000 0.814 284 A HN 0.464 nan 8.150 nan 0.000 0.446 285 E N -0.639 119.560 120.200 -0.001 0.000 2.110 285 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 285 E C 1.978 178.570 176.600 -0.013 0.000 0.988 285 E CA 1.401 57.797 56.400 -0.006 0.000 0.804 285 E CB -0.228 29.476 29.700 0.008 0.000 0.745 285 E HN 0.681 nan 8.360 nan 0.000 0.458 286 M N -0.146 119.449 119.600 -0.009 0.000 2.213 286 M HA -0.117 4.363 4.480 -0.000 0.000 0.263 286 M C 1.626 177.918 176.300 -0.013 0.000 1.062 286 M CA 1.858 57.150 55.300 -0.013 0.000 1.105 286 M CB 0.060 32.654 32.600 -0.010 0.000 1.385 286 M HN 0.188 nan 8.290 nan 0.000 0.417 287 A N -0.579 122.233 122.820 -0.014 0.000 2.348 287 A HA 0.440 4.760 4.320 -0.000 0.000 0.224 287 A C 1.342 178.916 177.584 -0.017 0.000 1.227 287 A CA 0.488 52.516 52.037 -0.014 0.000 0.885 287 A CB -0.492 18.499 19.000 -0.014 0.000 0.933 287 A HN 0.768 nan 8.150 nan 0.000 0.506 288 G N -0.084 108.704 108.800 -0.019 0.000 2.221 288 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.265 288 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.265 288 G C -0.014 174.868 174.900 -0.029 0.000 1.041 288 G CA 0.407 45.494 45.100 -0.021 0.000 0.807 288 G HN 0.500 nan 8.290 nan 0.000 0.502 289 I N 0.906 121.454 120.570 -0.036 0.000 2.315 289 I HA 0.229 4.399 4.170 -0.000 0.000 0.291 289 I C 0.785 176.862 176.117 -0.066 0.000 1.006 289 I CA -0.565 60.704 61.300 -0.053 0.000 1.265 289 I CB 0.872 38.840 38.000 -0.052 0.000 1.387 289 I HN 0.164 nan 8.210 nan 0.000 0.475 290 E N 4.898 125.046 120.200 -0.087 0.000 2.373 290 E HA 0.220 4.569 4.350 -0.000 0.000 0.267 290 E C -0.935 175.586 176.600 -0.131 0.000 1.032 290 E CA -0.323 56.017 56.400 -0.100 0.000 0.889 290 E CB 1.115 30.743 29.700 -0.120 0.000 0.984 290 E HN 0.548 nan 8.360 nan 0.000 0.425 291 C N 1.796 121.033 119.300 -0.105 0.000 2.529 291 C HA 0.475 4.935 4.460 -0.000 0.000 0.329 291 C C -0.129 174.786 174.990 -0.125 0.000 1.194 291 C CA -0.633 58.316 59.018 -0.115 0.000 1.779 291 C CB 1.282 28.975 27.740 -0.078 0.000 2.322 291 C HN 0.753 nan 8.230 nan 0.000 0.500 292 Q N 0.658 120.374 119.800 -0.141 0.000 2.372 292 Q HA 0.690 5.030 4.340 -0.000 0.000 0.273 292 Q C -1.941 173.981 176.000 -0.129 0.000 1.078 292 Q CA -0.359 55.362 55.803 -0.137 0.000 0.806 292 Q CB 1.985 30.642 28.738 -0.135 0.000 1.332 292 Q HN 0.617 nan 8.270 nan 0.000 0.435 293 V N 3.415 123.233 119.914 -0.161 0.000 2.328 293 V HA 0.604 4.724 4.120 -0.000 0.000 0.278 293 V C 0.475 176.467 176.094 -0.170 0.000 1.021 293 V CA -0.037 62.167 62.300 -0.160 0.000 0.838 293 V CB 0.699 32.411 31.823 -0.185 0.000 0.999 293 V HN 0.868 nan 8.190 nan 0.000 0.447 294 G N 3.468 112.194 108.800 -0.123 0.000 2.857 294 G HA2 0.872 4.832 3.960 -0.000 0.000 0.217 294 G HA3 0.872 4.832 3.960 -0.000 0.000 0.217 294 G C -0.279 174.550 174.900 -0.118 0.000 1.357 294 G CA 0.158 45.194 45.100 -0.106 0.000 1.033 294 G HN 1.054 nan 8.290 nan 0.000 0.571 295 S N -2.228 113.419 115.700 -0.090 0.000 2.663 295 S HA 0.530 4.999 4.470 -0.000 0.000 0.264 295 S C -0.893 173.667 174.600 -0.068 0.000 1.112 295 S CA -0.817 57.332 58.200 -0.086 0.000 0.823 295 S CB 0.956 64.080 63.200 -0.126 0.000 1.111 295 S HN 0.500 nan 8.310 nan 0.000 0.476 296 M N 1.293 120.857 119.600 -0.059 0.000 2.369 296 M HA 0.473 4.952 4.480 -0.000 0.000 0.291 296 M C -0.058 176.159 176.300 -0.138 0.000 1.178 296 M CA -0.980 54.278 55.300 -0.069 0.000 0.996 296 M CB 0.570 33.154 32.600 -0.028 0.000 1.472 296 M HN 0.617 nan 8.290 nan 0.000 0.496 297 V N 2.027 121.805 119.914 -0.226 0.000 2.390 297 V HA 0.025 4.145 4.120 -0.000 0.000 0.260 297 V C 0.255 176.364 176.094 0.024 0.000 1.043 297 V CA 0.100 62.237 62.300 -0.271 0.000 1.047 297 V CB -1.350 30.196 31.823 -0.460 0.000 1.066 297 V HN 0.676 nan 8.190 nan 0.000 0.481 298 E N 2.777 123.008 120.200 0.051 0.000 2.263 298 E HA 0.561 4.910 4.350 -0.000 0.000 0.264 298 E C 0.033 176.838 176.600 0.343 0.000 0.923 298 E CA -0.626 55.878 56.400 0.174 0.000 0.802 298 E CB 1.786 31.524 29.700 0.063 0.000 1.228 298 E HN 0.689 nan 8.360 nan 0.000 0.417 299 S N 0.414 116.263 115.700 0.249 0.000 2.633 299 S HA 0.064 4.534 4.470 -0.000 0.000 0.257 299 S C 1.005 175.716 174.600 0.185 0.000 1.265 299 S CA -0.176 58.152 58.200 0.214 0.000 0.980 299 S CB 1.046 64.259 63.200 0.021 0.000 1.017 299 S HN 0.415 nan 8.310 nan 0.000 0.577 300 S N -0.059 115.740 115.700 0.165 0.000 2.400 300 S HA -0.098 4.372 4.470 -0.000 0.000 0.232 300 S C 1.862 176.542 174.600 0.134 0.000 1.025 300 S CA 1.175 59.478 58.200 0.171 0.000 0.993 300 S CB -0.762 62.520 63.200 0.137 0.000 0.808 300 S HN 0.527 nan 8.310 nan 0.000 0.478 301 V N 1.849 121.817 119.914 0.091 0.000 2.220 301 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 301 V C 2.658 178.813 176.094 0.102 0.000 1.049 301 V CA 1.954 64.308 62.300 0.090 0.000 1.003 301 V CB -1.247 30.627 31.823 0.085 0.000 0.634 301 V HN 0.560 nan 8.190 nan 0.000 0.444 302 A N -0.604 122.270 122.820 0.090 0.000 1.930 302 A HA -0.159 4.160 4.320 -0.000 0.000 0.217 302 A C 2.454 180.062 177.584 0.040 0.000 1.175 302 A CA 1.940 54.017 52.037 0.067 0.000 0.627 302 A CB -0.673 18.360 19.000 0.055 0.000 0.815 302 A HN 0.502 nan 8.150 nan 0.000 0.443 303 S N 0.704 116.437 115.700 0.055 0.000 2.359 303 S HA -0.198 4.271 4.470 -0.000 0.000 0.224 303 S C 2.391 177.024 174.600 0.054 0.000 1.035 303 S CA 1.891 60.091 58.200 -0.000 0.000 1.018 303 S CB -0.474 62.809 63.200 0.140 0.000 0.876 303 S HN 0.908 nan 8.310 nan 0.000 0.448 304 S N 2.405 118.235 115.700 0.216 0.000 2.383 304 S HA 0.029 4.499 4.470 -0.000 0.000 0.227 304 S C 2.091 176.899 174.600 0.346 0.000 1.026 304 S CA 0.878 59.287 58.200 0.348 0.000 0.981 304 S CB -0.710 62.669 63.200 0.297 0.000 0.818 304 S HN 0.510 nan 8.310 nan 0.000 0.472 305 A N 2.222 125.155 122.820 0.188 0.000 1.892 305 A HA 0.095 4.415 4.320 -0.000 0.000 0.218 305 A C 2.439 180.085 177.584 0.105 0.000 1.188 305 A CA 1.870 53.981 52.037 0.123 0.000 0.631 305 A CB -1.873 17.166 19.000 0.064 0.000 0.822 305 A HN 0.678 nan 8.150 nan 0.000 0.447 306 G N -1.600 107.202 108.800 0.003 0.000 2.418 306 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 306 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 306 G C 1.459 176.339 174.900 -0.034 0.000 1.158 306 G CA 0.989 46.031 45.100 -0.097 0.000 0.771 306 G HN 0.496 nan 8.290 nan 0.000 0.545 307 F N 0.124 120.141 119.950 0.112 0.000 2.171 307 F HA -0.039 4.488 4.527 -0.000 0.000 0.300 307 F C 2.792 178.753 175.800 0.267 0.000 1.090 307 F CA 1.077 59.183 58.000 0.176 0.000 1.293 307 F CB -0.110 38.930 39.000 0.067 0.000 1.013 307 F HN 0.151 nan 8.300 nan 0.000 0.486 308 H N -0.674 118.607 119.070 0.353 0.000 2.387 308 H HA -0.139 4.417 4.556 -0.000 0.000 0.299 308 H C 2.408 177.915 175.328 0.298 0.000 1.099 308 H CA 1.777 58.025 56.048 0.334 0.000 1.315 308 H CB -0.332 29.540 29.762 0.184 0.000 1.380 308 H HN 0.132 nan 8.280 nan 0.000 0.513 309 V N 0.987 121.065 119.914 0.273 0.000 2.270 309 V HA -0.237 3.882 4.120 -0.000 0.000 0.245 309 V C 2.872 179.091 176.094 0.208 0.000 1.043 309 V CA 1.485 63.877 62.300 0.154 0.000 1.014 309 V CB -1.025 30.816 31.823 0.030 0.000 0.645 309 V HN 0.450 nan 8.190 nan 0.000 0.447 310 A N -0.207 122.739 122.820 0.210 0.000 1.873 310 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 310 A C 2.017 179.874 177.584 0.454 0.000 1.193 310 A CA 2.158 54.300 52.037 0.175 0.000 0.629 310 A CB -0.902 18.042 19.000 -0.092 0.000 0.826 310 A HN 0.473 nan 8.150 nan 0.000 0.447 311 F N 0.959 121.164 119.950 0.424 0.000 2.408 311 F HA -0.110 4.417 4.527 -0.000 0.000 0.300 311 F C 2.667 178.659 175.800 0.320 0.000 1.090 311 F CA 1.433 59.705 58.000 0.454 0.000 1.427 311 F CB -0.096 38.976 39.000 0.121 0.000 1.070 311 F HN 0.355 nan 8.300 nan 0.000 0.549 312 S N -1.797 114.153 115.700 0.418 0.000 2.556 312 S HA 0.116 4.586 4.470 -0.000 0.000 0.216 312 S C 0.466 175.183 174.600 0.195 0.000 0.970 312 S CA -0.183 58.190 58.200 0.288 0.000 0.912 312 S CB -0.009 63.361 63.200 0.283 0.000 0.790 312 S HN -0.081 nan 8.310 nan 0.000 0.504 313 K N 1.756 122.274 120.400 0.196 0.000 2.463 313 K HA 0.318 4.638 4.320 -0.000 0.000 0.255 313 K C 0.200 176.747 176.600 -0.089 0.000 0.942 313 K CA -0.381 55.922 56.287 0.028 0.000 0.814 313 K CB 1.938 34.479 32.500 0.068 0.000 1.122 313 K HN 0.143 nan 8.250 nan 0.000 0.425 314 K N 2.136 122.189 120.400 -0.578 0.000 2.147 314 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 314 K C 1.482 177.991 176.600 -0.151 0.000 1.049 314 K CA 1.161 57.007 56.287 -0.736 0.000 0.936 314 K CB 0.073 31.977 32.500 -0.993 0.000 0.722 314 K HN 0.432 nan 8.250 nan 0.000 0.446 315 I N 1.352 121.868 120.570 -0.089 0.000 2.830 315 I HA -0.024 4.146 4.170 -0.000 0.000 0.263 315 I C 0.181 176.314 176.117 0.026 0.000 1.230 315 I CA 0.646 61.932 61.300 -0.022 0.000 1.480 315 I CB 0.130 38.117 38.000 -0.022 0.000 1.095 315 I HN 0.089 nan 8.210 nan 0.000 0.455 316 I N 1.110 121.736 120.570 0.094 0.000 2.291 316 I HA 0.087 4.257 4.170 -0.000 0.000 0.292 316 I C 1.202 177.433 176.117 0.190 0.000 1.064 316 I CA 0.080 61.437 61.300 0.094 0.000 1.269 316 I CB 0.612 38.661 38.000 0.082 0.000 1.418 316 I HN 0.168 nan 8.210 nan 0.000 0.485 317 T N 0.089 114.713 114.554 0.118 0.000 3.054 317 T HA 0.188 4.538 4.350 -0.000 0.000 0.255 317 T C 0.484 175.318 174.700 0.222 0.000 1.035 317 T CA -0.146 62.064 62.100 0.185 0.000 0.941 317 T CB 0.097 69.032 68.868 0.112 0.000 1.026 317 T HN 0.564 nan 8.240 nan 0.000 0.533 318 S N -0.449 115.301 115.700 0.083 0.000 2.607 318 S HA 0.789 5.258 4.470 -0.000 0.000 0.273 318 S C -1.499 172.977 174.600 -0.207 0.000 1.148 318 S CA -0.775 57.459 58.200 0.058 0.000 0.833 318 S CB 2.120 65.434 63.200 0.190 0.000 1.130 318 S HN 0.263 nan 8.310 nan 0.000 0.470 319 V N 0.411 120.200 119.914 -0.208 0.000 2.925 319 V HA 0.656 4.775 4.120 -0.000 0.000 0.311 319 V C -1.544 174.509 176.094 -0.068 0.000 1.104 319 V CA -0.456 61.684 62.300 -0.266 0.000 0.954 319 V CB 2.163 33.694 31.823 -0.486 0.000 1.022 319 V HN 1.081 nan 8.190 nan 0.000 0.427 320 E N 5.747 125.889 120.200 -0.096 0.000 3.352 320 E HA 0.357 4.707 4.350 -0.000 0.000 0.254 320 E C -1.768 174.767 176.600 -0.109 0.000 1.229 320 E CA -0.199 56.172 56.400 -0.048 0.000 0.949 320 E CB 1.332 31.020 29.700 -0.021 0.000 1.373 320 E HN 0.388 nan 8.360 nan 0.000 0.392 321 L N 1.390 122.545 121.223 -0.113 0.000 2.401 321 L HA 0.307 4.647 4.340 -0.000 0.000 0.263 321 L C 0.671 177.596 176.870 0.092 0.000 1.004 321 L CA -0.183 54.553 54.840 -0.173 0.000 0.881 321 L CB 1.374 43.078 42.059 -0.592 0.000 1.219 321 L HN 0.205 nan 8.230 nan 0.000 0.441 322 T N -3.277 111.258 114.554 -0.031 0.000 3.231 322 T HA 0.176 4.526 4.350 -0.000 0.000 0.292 322 T C 1.464 175.986 174.700 -0.297 0.000 1.001 322 T CA 0.266 62.309 62.100 -0.095 0.000 0.920 322 T CB 0.752 69.548 68.868 -0.121 0.000 1.140 322 T HN 0.482 nan 8.240 nan 0.000 0.525 323 G N 2.970 111.596 108.800 -0.290 0.000 2.446 323 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.217 323 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.217 323 G C -0.639 173.907 174.900 -0.590 0.000 1.168 323 G CA 0.681 45.442 45.100 -0.565 0.000 0.771 323 G HN 0.446 nan 8.290 nan 0.000 0.551 324 P HA -0.065 nan 4.420 nan 0.000 0.218 324 P C 1.401 178.601 177.300 -0.167 0.000 1.146 324 P CA 0.941 64.053 63.100 0.020 0.000 0.813 324 P CB -0.155 31.655 31.700 0.183 0.000 0.778 325 L N -5.039 115.952 121.223 -0.387 0.000 2.791 325 L HA 0.378 4.717 4.340 -0.000 0.000 0.239 325 L C 1.128 177.836 176.870 -0.271 0.000 1.203 325 L CA 0.750 55.395 54.840 -0.325 0.000 1.002 325 L CB -0.414 41.384 42.059 -0.436 0.000 1.295 325 L HN -0.280 nan 8.230 nan 0.000 0.504 326 K N -0.783 119.372 120.400 -0.409 0.000 2.425 326 K HA 0.319 4.638 4.320 -0.000 0.000 0.201 326 K C -0.281 176.145 176.600 -0.290 0.000 1.128 326 K CA -0.154 55.894 56.287 -0.397 0.000 1.000 326 K CB 0.483 32.626 32.500 -0.596 0.000 0.961 326 K HN 0.107 nan 8.250 nan 0.000 0.555 327 F N 0.914 120.816 119.950 -0.079 0.000 2.370 327 F HA 0.081 4.608 4.527 -0.000 0.000 0.324 327 F C 1.903 177.680 175.800 -0.039 0.000 1.116 327 F CA -0.547 57.418 58.000 -0.059 0.000 1.123 327 F CB 0.953 39.916 39.000 -0.061 0.000 1.238 327 F HN -0.069 nan 8.300 nan 0.000 0.536 328 T N -2.519 112.148 114.554 0.188 0.000 3.044 328 T HA 0.266 4.616 4.350 -0.000 0.000 0.250 328 T C 0.244 174.985 174.700 0.068 0.000 1.081 328 T CA 0.141 62.296 62.100 0.092 0.000 1.040 328 T CB -0.158 68.747 68.868 0.062 0.000 0.962 328 T HN 0.434 nan 8.240 nan 0.000 0.506 329 K N 0.979 121.420 120.400 0.069 0.000 2.535 329 K HA 0.507 4.827 4.320 -0.000 0.000 0.251 329 K C -2.029 174.562 176.600 -0.015 0.000 0.942 329 K CA -0.744 55.549 56.287 0.010 0.000 0.798 329 K CB 2.208 34.688 32.500 -0.034 0.000 1.267 329 K HN 0.003 nan 8.250 nan 0.000 0.434 330 D N 2.326 122.724 120.400 -0.004 0.000 2.738 330 D HA 0.274 4.913 4.640 -0.000 0.000 0.237 330 D C 0.618 176.889 176.300 -0.049 0.000 1.123 330 D CA -0.711 53.283 54.000 -0.010 0.000 0.856 330 D CB 1.654 42.505 40.800 0.085 0.000 1.552 330 D HN 0.580 nan 8.370 nan 0.000 0.480 331 I N -0.112 120.408 120.570 -0.083 0.000 3.428 331 I HA 0.391 4.561 4.170 -0.000 0.000 0.286 331 I C 0.799 176.848 176.117 -0.113 0.000 1.287 331 I CA -0.065 61.167 61.300 -0.114 0.000 1.396 331 I CB 0.225 38.136 38.000 -0.148 0.000 1.062 331 I HN 0.179 nan 8.210 nan 0.000 0.471 332 G N 1.889 110.656 108.800 -0.056 0.000 2.788 332 G HA2 0.406 4.365 3.960 -0.000 0.000 0.293 332 G HA3 0.406 4.365 3.960 -0.000 0.000 0.293 332 G C -0.670 174.242 174.900 0.021 0.000 1.305 332 G CA -0.596 44.480 45.100 -0.039 0.000 1.005 332 G HN 0.331 nan 8.290 nan 0.000 0.496 333 N N 0.046 118.769 118.700 0.038 0.000 2.599 333 N HA 0.139 4.878 4.740 -0.000 0.000 0.309 333 N C -0.580 175.006 175.510 0.127 0.000 1.743 333 N CA -0.549 52.547 53.050 0.077 0.000 0.918 333 N CB 0.724 39.237 38.487 0.042 0.000 1.339 333 N HN 0.319 nan 8.380 nan 0.000 0.493 334 L N 1.868 123.190 121.223 0.166 0.000 2.462 334 L HA 0.200 4.540 4.340 -0.000 0.000 0.272 334 L C -0.122 176.900 176.870 0.253 0.000 1.166 334 L CA 0.129 55.077 54.840 0.182 0.000 0.880 334 L CB -0.048 42.151 42.059 0.234 0.000 1.142 334 L HN 0.417 nan 8.230 nan 0.000 0.473 335 H N 4.308 123.416 119.070 0.063 0.000 2.517 335 H HA 0.394 4.950 4.556 -0.000 0.000 0.317 335 H C -1.482 173.873 175.328 0.045 0.000 1.080 335 H CA -0.136 55.970 56.048 0.097 0.000 1.301 335 H CB 0.402 30.184 29.762 0.033 0.000 1.425 335 H HN 0.553 nan 8.280 nan 0.000 0.471 336 Y N 2.982 122.909 120.300 -0.622 0.000 2.341 336 Y HA 0.192 4.742 4.550 -0.000 0.000 0.337 336 Y C 0.265 175.773 175.900 -0.653 0.000 1.014 336 Y CA -0.803 57.008 58.100 -0.481 0.000 1.111 336 Y CB 1.364 39.708 38.460 -0.193 0.000 1.194 336 Y HN 0.681 nan 8.280 nan 0.000 0.462 337 D N 3.225 123.484 120.400 -0.236 0.000 3.139 337 D HA 0.140 4.779 4.640 -0.000 0.000 0.268 337 D C -0.326 176.008 176.300 0.057 0.000 1.322 337 D CA 0.033 53.995 54.000 -0.063 0.000 0.940 337 D CB 0.464 41.280 40.800 0.027 0.000 1.050 337 D HN 0.240 nan 8.370 nan 0.000 0.503 338 V N 3.185 123.102 119.914 0.006 0.000 2.780 338 V HA -0.089 4.031 4.120 -0.000 0.000 0.301 338 V C -1.158 174.866 176.094 -0.116 0.000 1.168 338 V CA -0.132 62.109 62.300 -0.098 0.000 1.305 338 V CB -0.031 31.689 31.823 -0.171 0.000 0.858 338 V HN 0.298 nan 8.190 nan 0.000 0.502 339 P HA 0.366 nan 4.420 nan 0.000 0.220 339 P C -0.800 176.104 177.300 -0.661 0.000 1.793 339 P CA 0.067 62.821 63.100 -0.577 0.000 0.917 339 P CB -0.198 31.018 31.700 -0.807 0.000 1.755 340 F N 0.092 120.006 119.950 -0.061 0.000 2.643 340 F HA 0.497 5.024 4.527 -0.000 0.000 0.314 340 F C 0.012 175.782 175.800 -0.050 0.000 1.096 340 F CA -1.269 56.718 58.000 -0.021 0.000 0.953 340 F CB 1.252 40.233 39.000 -0.033 0.000 1.345 340 F HN -0.306 nan 8.300 nan 0.000 0.468 341 I N 1.065 121.721 120.570 0.144 0.000 2.545 341 I HA 0.674 4.844 4.170 -0.000 0.000 0.292 341 I C -0.958 175.194 176.117 0.058 0.000 1.040 341 I CA -0.880 60.330 61.300 -0.149 0.000 1.068 341 I CB 2.131 39.781 38.000 -0.583 0.000 1.251 341 I HN 0.430 nan 8.210 nan 0.000 0.424 342 R N 5.100 125.539 120.500 -0.101 0.000 2.621 342 R HA 0.721 5.060 4.340 -0.000 0.000 0.284 342 R C -1.411 174.686 176.300 -0.338 0.000 0.998 342 R CA -0.929 55.143 56.100 -0.046 0.000 0.895 342 R CB 2.463 32.754 30.300 -0.016 0.000 1.195 342 R HN 0.488 nan 8.270 nan 0.000 0.450 343 L N 2.849 123.712 121.223 -0.600 0.000 2.357 343 L HA 0.340 4.679 4.340 -0.000 0.000 0.273 343 L C 0.904 177.656 176.870 -0.197 0.000 1.080 343 L CA -0.625 53.893 54.840 -0.537 0.000 0.803 343 L CB 1.088 42.647 42.059 -0.833 0.000 1.174 343 L HN 0.767 nan 8.230 nan 0.000 0.443 344 N N 0.709 119.356 118.700 -0.088 0.000 2.374 344 N HA 0.028 4.768 4.740 -0.000 0.000 0.284 344 N C -0.094 175.456 175.510 0.068 0.000 1.280 344 N CA -0.623 52.424 53.050 -0.005 0.000 0.963 344 N CB 0.872 39.361 38.487 0.003 0.000 1.141 344 N HN 0.520 nan 8.380 nan 0.000 0.565 345 E N -1.008 119.229 120.200 0.062 0.000 2.501 345 E HA 0.154 4.504 4.350 -0.000 0.000 0.200 345 E C -0.656 175.958 176.600 0.023 0.000 1.016 345 E CA -0.212 56.235 56.400 0.078 0.000 0.921 345 E CB 0.206 29.948 29.700 0.070 0.000 1.034 345 E HN 0.365 nan 8.360 nan 0.000 0.468 346 K N 2.007 122.417 120.400 0.017 0.000 2.319 346 K HA 0.128 4.448 4.320 -0.000 0.000 0.265 346 K C -2.260 174.328 176.600 -0.020 0.000 1.000 346 K CA -1.582 54.707 56.287 0.003 0.000 0.943 346 K CB 0.201 32.708 32.500 0.012 0.000 0.950 346 K HN 0.051 nan 8.250 nan 0.000 0.485 347 P HA -0.065 nan 4.420 nan 0.000 0.269 347 P C 0.586 177.858 177.300 -0.046 0.000 1.215 347 P CA 0.387 63.463 63.100 -0.040 0.000 0.780 347 P CB 0.650 32.338 31.700 -0.020 0.000 0.898 348 G N 1.818 110.571 108.800 -0.077 0.000 2.574 348 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.286 348 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.286 348 G C 0.863 175.652 174.900 -0.184 0.000 1.212 348 G CA 0.341 45.387 45.100 -0.090 0.000 0.979 348 G HN 0.488 nan 8.290 nan 0.000 0.557 349 L N 2.346 123.505 121.223 -0.108 0.000 2.551 349 L HA 0.300 4.640 4.340 -0.000 0.000 0.228 349 L C 2.388 179.306 176.870 0.079 0.000 1.153 349 L CA 1.005 55.794 54.840 -0.085 0.000 0.851 349 L CB -0.693 41.376 42.059 0.016 0.000 0.959 349 L HN 1.950 nan 8.230 nan 0.000 0.451 350 G N 0.721 109.545 108.800 0.041 0.000 2.249 350 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.273 350 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.273 350 G C 0.115 175.045 174.900 0.051 0.000 1.036 350 G CA 0.146 45.281 45.100 0.057 0.000 0.824 350 G HN 0.194 nan 8.290 nan 0.000 0.504 351 I N -0.939 119.653 120.570 0.036 0.000 2.957 351 I HA 0.646 4.816 4.170 -0.000 0.000 0.310 351 I C -0.132 175.971 176.117 -0.023 0.000 1.063 351 I CA -1.468 59.842 61.300 0.017 0.000 1.033 351 I CB 2.071 40.087 38.000 0.025 0.000 1.230 351 I HN 0.049 nan 8.210 nan 0.000 0.447 352 E N 3.057 123.230 120.200 -0.046 0.000 2.210 352 E HA 0.504 4.854 4.350 -0.000 0.000 0.266 352 E C -0.893 175.618 176.600 -0.148 0.000 0.883 352 E CA -0.464 55.888 56.400 -0.080 0.000 0.761 352 E CB 1.929 31.600 29.700 -0.048 0.000 1.156 352 E HN 0.181 nan 8.360 nan 0.000 0.412 353 I N 2.702 123.119 120.570 -0.255 0.000 2.331 353 I HA 0.187 4.356 4.170 -0.000 0.000 0.292 353 I C 0.139 176.123 176.117 -0.222 0.000 0.998 353 I CA -0.629 60.459 61.300 -0.354 0.000 1.267 353 I CB 0.919 38.440 38.000 -0.799 0.000 1.386 353 I HN 0.466 nan 8.210 nan 0.000 0.476 354 N N 6.554 125.153 118.700 -0.170 0.000 2.482 354 N HA 0.010 4.750 4.740 -0.000 0.000 0.242 354 N C 1.019 176.453 175.510 -0.127 0.000 1.100 354 N CA -0.017 52.964 53.050 -0.116 0.000 0.946 354 N CB 0.789 39.226 38.487 -0.084 0.000 1.227 354 N HN 0.368 nan 8.380 nan 0.000 0.508 355 E N 2.300 122.434 120.200 -0.111 0.000 2.114 355 E HA -0.222 4.128 4.350 -0.000 0.000 0.199 355 E C 0.572 177.117 176.600 -0.091 0.000 1.008 355 E CA 1.391 57.728 56.400 -0.104 0.000 0.810 355 E CB 0.187 29.852 29.700 -0.059 0.000 0.739 355 E HN 0.667 nan 8.360 nan 0.000 0.456 356 D N -0.214 120.147 120.400 -0.065 0.000 2.117 356 D HA -0.103 4.537 4.640 -0.000 0.000 0.197 356 D C 1.894 178.159 176.300 -0.057 0.000 0.987 356 D CA 1.494 55.465 54.000 -0.049 0.000 0.829 356 D CB -0.304 40.475 40.800 -0.034 0.000 0.961 356 D HN 0.195 nan 8.370 nan 0.000 0.460 357 T N 1.650 116.162 114.554 -0.070 0.000 2.777 357 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 357 T C 1.988 176.630 174.700 -0.097 0.000 1.040 357 T CA 0.391 62.447 62.100 -0.074 0.000 1.141 357 T CB -0.308 68.515 68.868 -0.075 0.000 0.868 357 T HN 0.022 nan 8.240 nan 0.000 0.444 358 L N 1.343 122.485 121.223 -0.134 0.000 1.989 358 L HA -0.097 4.243 4.340 -0.000 0.000 0.211 358 L C 2.505 179.292 176.870 -0.139 0.000 1.071 358 L CA 1.899 56.629 54.840 -0.183 0.000 0.749 358 L CB -0.890 40.990 42.059 -0.299 0.000 0.890 358 L HN 0.062 nan 8.230 nan 0.000 0.431 359 Q N 0.161 119.896 119.800 -0.109 0.000 2.135 359 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 359 Q C 2.095 178.089 176.000 -0.010 0.000 0.981 359 Q CA 2.159 57.941 55.803 -0.036 0.000 0.856 359 Q CB -0.280 28.448 28.738 -0.017 0.000 0.902 359 Q HN 0.827 nan 8.270 nan 0.000 0.425 360 E N -1.108 119.077 120.200 -0.025 0.000 2.274 360 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 360 E C 1.472 178.063 176.600 -0.015 0.000 0.996 360 E CA 0.690 57.083 56.400 -0.013 0.000 0.840 360 E CB -0.179 29.511 29.700 -0.018 0.000 0.772 360 E HN 0.376 nan 8.360 nan 0.000 0.491 361 L N 1.133 122.336 121.223 -0.033 0.000 2.477 361 L HA 0.120 4.460 4.340 -0.000 0.000 0.220 361 L C 0.602 177.468 176.870 -0.008 0.000 1.106 361 L CA 0.034 54.850 54.840 -0.040 0.000 0.851 361 L CB 0.107 42.117 42.059 -0.083 0.000 0.994 361 L HN 0.004 nan 8.230 nan 0.000 0.462 362 T N 0.221 114.784 114.554 0.015 0.000 2.853 362 T HA 0.060 4.410 4.350 -0.000 0.000 0.298 362 T C 1.236 175.965 174.700 0.048 0.000 0.978 362 T CA -0.110 62.018 62.100 0.046 0.000 1.152 362 T CB 2.111 71.048 68.868 0.115 0.000 0.914 362 T HN -0.135 nan 8.240 nan 0.000 0.539 363 V N 3.403 123.331 119.914 0.023 0.000 2.825 363 V HA 0.263 4.382 4.120 -0.000 0.000 0.246 363 V C 0.152 176.339 176.094 0.155 0.000 1.068 363 V CA 0.839 63.208 62.300 0.115 0.000 1.088 363 V CB -0.558 31.439 31.823 0.289 0.000 0.733 363 V HN 0.918 nan 8.190 nan 0.000 0.468 364 F N -0.614 119.303 119.950 -0.056 0.000 2.719 364 F HA 0.736 5.263 4.527 -0.000 0.000 0.309 364 F C -1.040 174.657 175.800 -0.172 0.000 1.138 364 F CA -1.328 56.582 58.000 -0.151 0.000 0.943 364 F CB 1.174 40.004 39.000 -0.283 0.000 1.304 364 F HN 0.108 nan 8.300 nan 0.000 0.445 365 Q N 0.367 120.259 119.800 0.153 0.000 2.685 365 Q HA 0.746 5.086 4.340 -0.000 0.000 0.301 365 Q C -2.363 173.766 176.000 0.214 0.000 0.924 365 Q CA -1.055 54.829 55.803 0.135 0.000 0.755 365 Q CB 3.329 32.078 28.738 0.019 0.000 1.470 365 Q HN 0.728 nan 8.270 nan 0.000 0.434 366 D N -0.387 120.085 120.400 0.121 0.000 2.671 366 D HA 0.575 5.215 4.640 -0.000 0.000 0.273 366 D C -1.265 174.958 176.300 -0.128 0.000 1.264 366 D CA -0.386 53.630 54.000 0.028 0.000 0.788 366 D CB 2.171 43.005 40.800 0.055 0.000 1.324 366 D HN 0.553 nan 8.370 nan 0.000 0.424 367 I N 0.747 121.222 120.570 -0.157 0.000 2.647 367 I HA 0.430 4.600 4.170 -0.000 0.000 0.295 367 I C -0.727 175.239 176.117 -0.253 0.000 1.078 367 I CA -0.962 60.170 61.300 -0.281 0.000 1.048 367 I CB 2.538 40.363 38.000 -0.293 0.000 1.239 367 I HN -0.041 nan 8.210 nan 0.000 0.421 368 V N 6.017 125.756 119.914 -0.291 0.000 2.487 368 V HA 0.600 4.720 4.120 -0.000 0.000 0.298 368 V C -0.256 175.718 176.094 -0.201 0.000 1.028 368 V CA -0.572 61.596 62.300 -0.222 0.000 0.860 368 V CB 1.787 33.474 31.823 -0.225 0.000 0.991 368 V HN 0.826 nan 8.190 nan 0.000 0.427 369 R N 0.000 120.411 120.500 -0.149 0.000 2.786 369 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 369 R CA 0.000 56.028 56.100 -0.121 0.000 0.921 369 R CB 0.000 30.233 30.300 -0.112 0.000 0.687 369 R HN 0.000 nan 8.270 nan 0.000 0.535