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_C 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 0.000 176.272 176.300 -0.047 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 3.467 123.839 120.400 -0.046 0.000 2.464 2 K HA 0.615 4.934 4.320 -0.000 0.000 0.253 2 K C -1.343 175.224 176.600 -0.054 0.000 0.933 2 K CA -0.721 55.536 56.287 -0.050 0.000 0.801 2 K CB 2.628 35.103 32.500 -0.042 0.000 1.271 2 K HN 0.600 nan 8.250 nan 0.000 0.430 3 I N 2.625 123.158 120.570 -0.062 0.000 2.471 3 I HA -0.038 4.132 4.170 -0.000 0.000 0.286 3 I C 1.511 177.589 176.117 -0.065 0.000 1.079 3 I CA 0.284 61.543 61.300 -0.068 0.000 1.398 3 I CB 1.010 38.962 38.000 -0.080 0.000 1.403 3 I HN 0.859 nan 8.210 nan 0.000 0.530 4 T N 2.126 116.642 114.554 -0.063 0.000 3.034 4 T HA 0.467 4.817 4.350 -0.000 0.000 0.248 4 T C 0.461 175.110 174.700 -0.085 0.000 1.040 4 T CA 0.155 62.218 62.100 -0.062 0.000 1.107 4 T CB 0.509 69.350 68.868 -0.045 0.000 0.932 4 T HN 0.655 nan 8.240 nan 0.000 0.474 5 A N 0.299 123.059 122.820 -0.101 0.000 2.612 5 A HA 0.736 5.056 4.320 -0.000 0.000 0.293 5 A C -1.868 175.607 177.584 -0.183 0.000 1.075 5 A CA -0.984 50.953 52.037 -0.167 0.000 0.680 5 A CB 1.046 19.922 19.000 -0.208 0.000 1.279 5 A HN 0.385 nan 8.150 nan 0.000 0.411 6 I N 2.458 122.871 120.570 -0.262 0.000 2.500 6 I HA 0.316 4.486 4.170 -0.000 0.000 0.286 6 I C -0.854 175.077 176.117 -0.310 0.000 1.063 6 I CA -0.441 60.732 61.300 -0.211 0.000 1.062 6 I CB 1.879 39.778 38.000 -0.169 0.000 1.223 6 I HN 0.661 nan 8.210 nan 0.000 0.435 7 H N 6.373 125.339 119.070 -0.174 0.000 2.502 7 H HA 0.453 5.009 4.556 -0.000 0.000 0.327 7 H C -0.873 174.228 175.328 -0.379 0.000 1.099 7 H CA -0.681 55.186 56.048 -0.301 0.000 1.323 7 H CB 2.276 31.870 29.762 -0.280 0.000 1.450 7 H HN 0.173 nan 8.280 nan 0.000 0.502 8 L N 4.452 125.456 121.223 -0.364 0.000 2.325 8 L HA 0.269 4.609 4.340 -0.000 0.000 0.281 8 L C -0.744 175.989 176.870 -0.227 0.000 1.004 8 L CA -0.664 54.039 54.840 -0.227 0.000 0.823 8 L CB 0.500 42.377 42.059 -0.304 0.000 1.236 8 L HN 0.581 nan 8.230 nan 0.000 0.415 9 Y N 1.443 121.830 120.300 0.144 0.000 2.328 9 Y HA 0.601 5.151 4.550 -0.000 0.000 0.333 9 Y C 0.550 176.426 175.900 -0.040 0.000 0.958 9 Y CA -0.866 57.267 58.100 0.056 0.000 1.167 9 Y CB 1.808 40.299 38.460 0.052 0.000 1.151 9 Y HN 0.655 nan 8.280 nan 0.000 0.470 10 A N 6.178 128.848 122.820 -0.250 0.000 2.506 10 A HA 0.600 4.920 4.320 -0.000 0.000 0.320 10 A C 0.032 177.605 177.584 -0.018 0.000 1.424 10 A CA -0.430 51.324 52.037 -0.472 0.000 1.044 10 A CB -0.832 16.890 19.000 -2.130 0.000 1.140 10 A HN 0.834 nan 8.150 nan 0.000 0.538 11 I N -0.811 119.897 120.570 0.230 0.000 3.205 11 I HA 0.812 4.981 4.170 -0.000 0.000 0.310 11 I C -0.223 175.899 176.117 0.009 0.000 1.089 11 I CA -1.400 59.970 61.300 0.116 0.000 1.023 11 I CB 1.764 39.775 38.000 0.019 0.000 1.269 11 I HN 0.431 nan 8.210 nan 0.000 0.512 12 R N 2.404 122.830 120.500 -0.122 0.000 2.502 12 R HA 0.533 4.872 4.340 -0.000 0.000 0.298 12 R C -1.662 174.486 176.300 -0.254 0.000 1.018 12 R CA -0.655 55.292 56.100 -0.254 0.000 0.899 12 R CB 2.036 32.186 30.300 -0.251 0.000 1.181 12 R HN 0.581 nan 8.270 nan 0.000 0.444 13 L N 5.385 126.384 121.223 -0.373 0.000 2.278 13 L HA 0.359 4.699 4.340 -0.000 0.000 0.287 13 L C -1.855 174.813 176.870 -0.336 0.000 1.072 13 L CA -1.866 52.628 54.840 -0.577 0.000 0.819 13 L CB 0.796 42.049 42.059 -1.342 0.000 1.176 13 L HN 0.262 nan 8.230 nan 0.000 0.435 14 P HA 0.125 nan 4.420 nan 0.000 0.271 14 P C -0.867 176.539 177.300 0.177 0.000 1.220 14 P CA -0.093 63.011 63.100 0.006 0.000 0.768 14 P CB 1.079 32.776 31.700 -0.004 0.000 0.848 15 L N 3.919 125.250 121.223 0.181 0.000 2.309 15 L HA 0.394 4.734 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 -0.695 54.259 54.840 0.190 0.000 0.806 15 L CB 1.615 43.772 42.059 0.163 0.000 1.220 15 L HN 0.391 nan 8.230 nan 0.000 0.429 16 R N 2.056 122.600 120.500 0.074 0.000 2.105 16 R HA -0.080 4.259 4.340 -0.000 0.000 0.239 16 R C -0.212 176.118 176.300 0.050 0.000 1.135 16 R CA 1.410 57.541 56.100 0.051 0.000 0.967 16 R CB 0.185 30.504 30.300 0.031 0.000 0.861 16 R HN 0.730 nan 8.270 nan 0.000 0.442 17 N N -1.022 117.712 118.700 0.058 0.000 2.329 17 N HA 0.315 5.054 4.740 -0.000 0.000 0.282 17 N C -2.882 172.687 175.510 0.097 0.000 1.198 17 N CA -1.583 51.506 53.050 0.065 0.000 0.790 17 N CB 2.043 40.565 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 -1.176 176.228 177.300 0.172 0.000 1.209 18 P CA 0.069 63.242 63.100 0.122 0.000 0.763 18 P CB 0.157 31.895 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 0.293 4.820 4.527 -0.000 0.000 0.359 19 F C -0.578 175.277 175.800 0.092 0.000 1.122 19 F CA -0.571 57.465 58.000 0.059 0.000 1.160 19 F CB 0.402 39.437 39.000 0.059 0.000 1.146 19 F HN -0.010 nan 8.300 nan 0.000 0.514 20 V N 8.438 128.103 119.914 -0.415 0.000 2.417 20 V HA 0.498 4.618 4.120 -0.000 0.000 0.291 20 V C 0.266 176.015 176.094 -0.575 0.000 1.024 20 V CA -0.635 61.430 62.300 -0.392 0.000 0.861 20 V CB 1.080 32.769 31.823 -0.223 0.000 0.985 20 V HN 0.717 nan 8.190 nan 0.000 0.436 21 I N 1.106 121.373 120.570 -0.505 0.000 3.457 21 I HA 0.590 4.760 4.170 -0.000 0.000 0.307 21 I C 1.323 177.179 176.117 -0.436 0.000 1.138 21 I CA -0.572 60.416 61.300 -0.520 0.000 0.974 21 I CB 1.748 39.373 38.000 -0.624 0.000 1.324 21 I HN 0.404 nan 8.210 nan 0.000 0.485 22 S N 0.533 115.966 115.700 -0.445 0.000 2.365 22 S HA -0.213 4.257 4.470 -0.000 0.000 0.225 22 S C 1.282 175.740 174.600 -0.238 0.000 1.039 22 S CA 2.228 60.249 58.200 -0.298 0.000 1.033 22 S CB -0.618 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 -0.280 119.918 120.300 -0.170 0.000 2.708 23 Y HA 0.699 5.249 4.550 -0.000 0.000 0.287 23 Y C 0.408 176.100 175.900 -0.348 0.000 1.145 23 Y CA -0.747 57.200 58.100 -0.257 0.000 1.249 23 Y CB -0.348 37.914 38.460 -0.330 0.000 1.152 23 Y HN 0.244 nan 8.280 nan 0.000 0.532 24 G N -0.647 108.004 108.800 -0.249 0.000 2.347 24 G HA2 0.340 4.300 3.960 -0.000 0.000 0.303 24 G HA3 0.340 4.300 3.960 -0.000 0.000 0.303 24 G C -1.918 172.762 174.900 -0.366 0.000 1.481 24 G CA -0.676 44.258 45.100 -0.278 0.000 0.914 24 G HN 0.238 nan 8.290 nan 0.000 0.638 25 S N -0.742 114.712 115.700 -0.411 0.000 2.500 25 S HA 0.822 5.292 4.470 -0.000 0.000 0.301 25 S C -1.438 172.915 174.600 -0.413 0.000 1.092 25 S CA -0.586 57.435 58.200 -0.299 0.000 1.030 25 S CB 0.893 63.998 63.200 -0.158 0.000 1.031 25 S HN 0.550 nan 8.310 nan 0.000 0.483 26 Y N 2.138 122.482 120.300 0.072 0.000 2.331 26 Y HA 0.302 4.852 4.550 -0.000 0.000 0.334 26 Y C 1.372 177.332 175.900 0.100 0.000 0.960 26 Y CA -0.704 57.465 58.100 0.116 0.000 1.130 26 Y CB 2.012 40.594 38.460 0.203 0.000 1.164 26 Y HN 0.760 nan 8.280 nan 0.000 0.458 27 S N -0.202 115.609 115.700 0.185 0.000 2.486 27 S HA 0.076 4.546 4.470 -0.000 0.000 0.220 27 S C 0.126 174.802 174.600 0.127 0.000 1.011 27 S CA 0.727 59.001 58.200 0.123 0.000 0.921 27 S CB 0.007 63.246 63.200 0.066 0.000 0.785 27 S HN 0.779 nan 8.310 nan 0.000 0.517 28 D N -0.344 120.142 120.400 0.143 0.000 2.768 28 D HA 0.497 5.137 4.640 -0.000 0.000 0.327 28 D C -1.360 174.993 176.300 0.090 0.000 1.302 28 D CA -0.696 53.363 54.000 0.097 0.000 0.897 28 D CB 0.773 41.576 40.800 0.005 0.000 1.420 28 D HN 0.111 nan 8.370 nan 0.000 0.494 29 M N 0.277 119.873 119.600 -0.007 0.000 2.090 29 M HA 0.463 4.943 4.480 -0.000 0.000 0.277 29 M C -2.923 173.233 176.300 -0.241 0.000 0.935 29 M CA -1.637 53.624 55.300 -0.065 0.000 0.966 29 M CB 2.161 34.803 32.600 0.071 0.000 1.635 29 M HN 0.037 nan 8.290 nan 0.000 0.446 30 P HA 0.317 nan 4.420 nan 0.000 0.271 30 P C -1.255 175.832 177.300 -0.355 0.000 1.216 30 P CA -0.121 62.507 63.100 -0.787 0.000 0.776 30 P CB 1.047 31.999 31.700 -1.247 0.000 0.881 31 S N 2.541 118.175 115.700 -0.109 0.000 2.550 31 S HA 0.627 5.097 4.470 -0.000 0.000 0.270 31 S C -1.625 173.200 174.600 0.375 0.000 1.145 31 S CA -0.677 57.623 58.200 0.167 0.000 0.852 31 S CB 0.636 63.850 63.200 0.024 0.000 1.119 31 S HN 0.108 nan 8.310 nan 0.000 0.465 32 I N 4.146 124.889 120.570 0.288 0.000 2.378 32 I HA 0.487 4.657 4.170 -0.000 0.000 0.291 32 I C -0.627 175.607 176.117 0.194 0.000 0.992 32 I CA -0.702 60.742 61.300 0.239 0.000 1.154 32 I CB 1.423 39.544 38.000 0.201 0.000 1.315 32 I HN 0.567 nan 8.210 nan 0.000 0.448 33 I N 6.893 127.603 120.570 0.232 0.000 2.493 33 I HA 0.464 4.633 4.170 -0.000 0.000 0.298 33 I C 0.059 176.366 176.117 0.316 0.000 0.998 33 I CA -0.877 60.578 61.300 0.259 0.000 1.137 33 I CB 1.998 40.152 38.000 0.256 0.000 1.310 33 I HN 0.271 nan 8.210 nan 0.000 0.445 34 V N 3.180 123.241 119.914 0.245 0.000 2.604 34 V HA 0.629 4.749 4.120 -0.000 0.000 0.305 34 V C -0.586 175.581 176.094 0.122 0.000 1.043 34 V CA -0.797 61.603 62.300 0.165 0.000 0.888 34 V CB 2.112 33.965 31.823 0.051 0.000 0.995 34 V HN 0.838 nan 8.190 nan 0.000 0.429 35 K N 5.058 125.513 120.400 0.092 0.000 2.394 35 K HA 0.593 4.913 4.320 -0.000 0.000 0.260 35 K C -1.138 175.424 176.600 -0.063 0.000 0.967 35 K CA -0.716 55.470 56.287 -0.168 0.000 0.855 35 K CB 1.771 34.208 32.500 -0.104 0.000 1.101 35 K HN 0.997 nan 8.250 nan 0.000 0.433 36 M N 4.140 123.651 119.600 -0.148 0.000 2.129 36 M HA 0.242 4.722 4.480 -0.000 0.000 0.348 36 M C -1.018 175.236 176.300 -0.077 0.000 1.116 36 M CA -0.193 55.054 55.300 -0.087 0.000 1.022 36 M CB 1.084 33.631 32.600 -0.089 0.000 1.599 36 M HN 0.521 nan 8.290 nan 0.000 0.449 37 E N 2.603 122.780 120.200 -0.039 0.000 2.204 37 E HA 0.471 4.821 4.350 -0.000 0.000 0.276 37 E C -0.657 175.919 176.600 -0.041 0.000 0.974 37 E CA -0.615 55.770 56.400 -0.025 0.000 0.815 37 E CB 1.801 31.512 29.700 0.019 0.000 1.119 37 E HN 0.681 nan 8.360 nan 0.000 0.393 38 T N -1.696 112.836 114.554 -0.036 0.000 2.924 38 T HA 0.142 4.492 4.350 -0.000 0.000 0.291 38 T C 0.654 175.336 174.700 -0.030 0.000 1.045 38 T CA -0.893 61.184 62.100 -0.040 0.000 1.015 38 T CB 1.291 70.133 68.868 -0.043 0.000 1.103 38 T HN 0.459 nan 8.240 nan 0.000 0.496 39 D N 0.040 120.421 120.400 -0.031 0.000 2.351 39 D HA -0.131 4.509 4.640 -0.000 0.000 0.216 39 D C 0.944 177.232 176.300 -0.020 0.000 0.968 39 D CA 0.850 54.835 54.000 -0.025 0.000 0.899 39 D CB -0.238 40.546 40.800 -0.026 0.000 0.907 39 D HN 0.831 nan 8.370 nan 0.000 0.514 40 E N -0.509 119.678 120.200 -0.022 0.000 2.444 40 E HA 0.275 4.625 4.350 -0.000 0.000 0.191 40 E C 1.215 177.807 176.600 -0.013 0.000 1.041 40 E CA 0.199 56.588 56.400 -0.018 0.000 0.883 40 E CB 0.173 29.861 29.700 -0.021 0.000 1.024 40 E HN 0.438 nan 8.360 nan 0.000 0.470 41 G N 1.816 110.609 108.800 -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 0.397 175.293 174.900 -0.007 0.000 0.978 41 G CA 0.158 45.254 45.100 -0.006 0.000 0.632 41 G HN 0.295 nan 8.290 nan 0.000 0.537 42 I N 2.235 122.798 120.570 -0.013 0.000 2.496 42 I HA 0.457 4.627 4.170 -0.000 0.000 0.285 42 I C 1.005 177.108 176.117 -0.023 0.000 1.080 42 I CA -0.479 60.814 61.300 -0.013 0.000 1.404 42 I CB 0.828 38.818 38.000 -0.017 0.000 1.403 42 I HN 0.349 nan 8.210 nan 0.000 0.539 43 I N 2.627 123.186 120.570 -0.019 0.000 2.569 43 I HA 0.913 5.083 4.170 -0.000 0.000 0.296 43 I C -0.171 175.911 176.117 -0.059 0.000 1.028 43 I CA -0.502 60.762 61.300 -0.060 0.000 1.082 43 I CB 2.068 40.017 38.000 -0.085 0.000 1.264 43 I HN 0.546 nan 8.210 nan 0.000 0.429 44 G N 4.176 112.900 108.800 -0.128 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 -2.050 172.740 174.900 -0.182 0.000 1.279 44 G CA -0.567 44.496 45.100 -0.061 0.000 0.974 44 G HN 0.578 nan 8.290 nan 0.000 0.484 45 Y N -0.090 120.231 120.300 0.034 0.000 2.377 45 Y HA 0.667 5.217 4.550 -0.000 0.000 0.339 45 Y C 0.834 176.766 175.900 0.054 0.000 1.011 45 Y CA -0.132 57.996 58.100 0.047 0.000 1.093 45 Y CB 2.663 41.141 38.460 0.030 0.000 1.201 45 Y HN 0.774 nan 8.280 nan 0.000 0.455 46 G N 1.313 110.231 108.800 0.197 0.000 2.658 46 G HA2 0.640 4.600 3.960 -0.000 0.000 0.292 46 G HA3 0.640 4.600 3.960 -0.000 0.000 0.292 46 G C -1.885 173.106 174.900 0.151 0.000 1.320 46 G CA -0.775 44.413 45.100 0.147 0.000 0.933 46 G HN 0.519 nan 8.290 nan 0.000 0.476 47 E N -1.012 119.262 120.200 0.122 0.000 2.366 47 E HA 0.593 4.943 4.350 -0.000 0.000 0.278 47 E C -0.965 175.695 176.600 0.100 0.000 0.923 47 E CA -1.036 55.434 56.400 0.116 0.000 0.761 47 E CB 2.128 31.891 29.700 0.104 0.000 1.231 47 E HN 0.825 nan 8.360 nan 0.000 0.443 48 G N 1.795 110.661 108.800 0.109 0.000 2.737 48 G HA2 0.462 4.422 3.960 -0.000 0.000 0.290 48 G HA3 0.462 4.422 3.960 -0.000 0.000 0.290 48 G C -1.554 173.422 174.900 0.126 0.000 1.482 48 G CA -0.427 44.737 45.100 0.106 0.000 1.017 48 G HN 0.330 nan 8.290 nan 0.000 0.529 49 V N 3.168 123.143 119.914 0.101 0.000 2.326 49 V HA 0.793 4.913 4.120 -0.000 0.000 0.281 49 V C 0.324 176.475 176.094 0.094 0.000 1.015 49 V CA -0.453 61.906 62.300 0.098 0.000 0.823 49 V CB 0.684 32.540 31.823 0.056 0.000 1.009 49 V HN 1.122 nan 8.190 nan 0.000 0.436 50 A N 4.843 127.742 122.820 0.132 0.000 2.354 50 A HA 0.606 4.926 4.320 -0.000 0.000 0.269 50 A C -0.148 177.505 177.584 0.114 0.000 1.109 50 A CA -0.300 51.813 52.037 0.126 0.000 0.800 50 A CB 0.687 19.785 19.000 0.164 0.000 1.045 50 A HN 0.878 nan 8.150 nan 0.000 0.489 51 D N 1.699 122.161 120.400 0.103 0.000 2.446 51 D HA 0.242 4.881 4.640 -0.000 0.000 0.251 51 D C -0.185 176.159 176.300 0.073 0.000 1.137 51 D CA -0.402 53.677 54.000 0.132 0.000 0.890 51 D CB 0.870 41.765 40.800 0.158 0.000 1.071 51 D HN 0.430 nan 8.370 nan 0.000 0.528 52 D N 1.434 121.837 120.400 0.006 0.000 2.172 52 D HA -0.206 4.434 4.640 -0.000 0.000 0.196 52 D C 1.167 177.341 176.300 -0.209 0.000 0.999 52 D CA 1.510 55.432 54.000 -0.130 0.000 0.856 52 D CB -0.184 40.466 40.800 -0.249 0.000 0.934 52 D HN 0.642 nan 8.370 nan 0.000 0.453 53 H N -1.174 117.881 119.070 -0.025 0.000 2.547 53 H HA 0.114 4.670 4.556 -0.000 0.000 0.272 53 H C 1.664 176.862 175.328 -0.217 0.000 0.989 53 H CA 0.330 56.249 56.048 -0.216 0.000 1.214 53 H CB 0.457 29.865 29.762 -0.591 0.000 1.389 53 H HN 0.037 nan 8.280 nan 0.000 0.577 54 V N -0.841 119.070 119.914 -0.006 0.000 2.806 54 V HA -0.050 4.070 4.120 -0.000 0.000 0.239 54 V C 2.030 178.133 176.094 0.014 0.000 1.113 54 V CA 1.564 63.868 62.300 0.006 0.000 1.137 54 V CB 0.315 32.172 31.823 0.056 0.000 0.865 54 V HN 0.554 nan 8.190 nan 0.000 0.482 55 T N -2.592 111.977 114.554 0.024 0.000 3.044 55 T HA 0.349 4.699 4.350 -0.000 0.000 0.260 55 T C 1.422 176.139 174.700 0.028 0.000 1.019 55 T CA 0.721 62.837 62.100 0.026 0.000 0.921 55 T CB 0.685 69.572 68.868 0.032 0.000 1.053 55 T HN 1.041 nan 8.240 nan 0.000 0.533 56 G N 1.248 110.057 108.800 0.016 0.000 2.221 56 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.265 56 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.265 56 G C -0.378 174.545 174.900 0.038 0.000 1.041 56 G CA 0.186 45.296 45.100 0.016 0.000 0.807 56 G HN 0.679 nan 8.290 nan 0.000 0.502 57 E N -0.172 120.057 120.200 0.049 0.000 2.227 57 E HA 0.655 5.005 4.350 -0.000 0.000 0.268 57 E C 0.258 176.918 176.600 0.100 0.000 0.907 57 E CA -0.158 56.290 56.400 0.078 0.000 0.786 57 E CB 1.752 31.502 29.700 0.084 0.000 1.191 57 E HN 0.446 nan 8.360 nan 0.000 0.411 58 S N 0.896 116.679 115.700 0.138 0.000 2.677 58 S HA 0.247 4.717 4.470 -0.000 0.000 0.304 58 S C 0.211 174.984 174.600 0.287 0.000 1.108 58 S CA -0.836 57.480 58.200 0.192 0.000 0.944 58 S CB 0.965 64.272 63.200 0.178 0.000 1.127 58 S HN 0.802 nan 8.310 nan 0.000 0.511 59 W N 1.664 123.038 121.300 0.123 0.000 2.315 59 W HA -0.092 4.568 4.660 -0.000 0.000 0.323 59 W C 1.795 178.442 176.519 0.213 0.000 1.233 59 W CA 2.289 59.716 57.345 0.138 0.000 1.267 59 W CB -0.945 28.585 29.460 0.117 0.000 1.160 59 W HN 0.916 nan 8.180 nan 0.000 0.474 60 E N -0.047 120.292 120.200 0.230 0.000 2.072 60 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 60 E C 2.477 179.268 176.600 0.318 0.000 0.985 60 E CA 2.227 58.720 56.400 0.155 0.000 0.801 60 E CB -0.935 28.876 29.700 0.185 0.000 0.750 60 E HN 0.303 nan 8.360 nan 0.000 0.452 61 S N -0.167 115.686 115.700 0.255 0.000 2.382 61 S HA -0.181 4.289 4.470 -0.000 0.000 0.228 61 S C 2.034 176.761 174.600 0.211 0.000 1.027 61 S CA 1.675 60.012 58.200 0.228 0.000 0.991 61 S CB -0.695 62.598 63.200 0.155 0.000 0.823 61 S HN 0.196 nan 8.310 nan 0.000 0.469 62 T N 1.439 116.104 114.554 0.185 0.000 2.777 62 T HA 0.031 4.381 4.350 -0.000 0.000 0.266 62 T C 1.267 176.025 174.700 0.097 0.000 1.040 62 T CA 1.344 63.526 62.100 0.135 0.000 1.141 62 T CB -0.614 68.343 68.868 0.148 0.000 0.868 62 T HN 0.507 nan 8.240 nan 0.000 0.444 63 F N 1.864 121.779 119.950 -0.058 0.000 2.095 63 F HA -0.217 4.310 4.527 -0.000 0.000 0.298 63 F C 2.487 178.154 175.800 -0.221 0.000 1.104 63 F CA 1.576 59.466 58.000 -0.184 0.000 1.232 63 F CB -0.326 38.503 39.000 -0.285 0.000 0.987 63 F HN 0.269 nan 8.300 nan 0.000 0.475 64 H N -0.974 118.157 119.070 0.101 0.000 2.395 64 H HA -0.089 4.467 4.556 -0.000 0.000 0.299 64 H C 2.492 177.825 175.328 0.007 0.000 1.070 64 H CA 1.923 57.999 56.048 0.046 0.000 1.356 64 H CB -0.886 29.026 29.762 0.250 0.000 1.401 64 H HN 0.386 nan 8.280 nan 0.000 0.524 65 T N -0.391 114.236 114.554 0.122 0.000 2.915 65 T HA -0.051 4.299 4.350 -0.000 0.000 0.269 65 T C 2.244 176.924 174.700 -0.035 0.000 1.071 65 T CA 0.512 62.653 62.100 0.069 0.000 1.132 65 T CB -0.394 68.514 68.868 0.067 0.000 0.878 65 T HN 0.151 nan 8.240 nan 0.000 0.479 66 L N 0.224 121.372 121.223 -0.124 0.000 2.044 66 L HA 0.078 4.418 4.340 -0.000 0.000 0.205 66 L C 3.033 179.726 176.870 -0.295 0.000 1.075 66 L CA 1.605 56.327 54.840 -0.196 0.000 0.747 66 L CB -0.431 41.485 42.059 -0.238 0.000 0.903 66 L HN 0.270 nan 8.230 nan 0.000 0.435 67 K N -0.399 119.708 120.400 -0.488 0.000 2.002 67 K HA -0.199 4.121 4.320 -0.000 0.000 0.209 67 K C 1.915 178.225 176.600 -0.484 0.000 1.048 67 K CA 1.892 57.804 56.287 -0.625 0.000 0.930 67 K CB -0.053 31.846 32.500 -1.001 0.000 0.714 67 K HN 0.423 nan 8.250 nan 0.000 0.438 68 H N -1.573 117.438 119.070 -0.099 0.000 2.547 68 H HA 0.114 4.670 4.556 -0.000 0.000 0.272 68 H C 1.334 176.635 175.328 -0.045 0.000 0.971 68 H CA 1.039 57.057 56.048 -0.050 0.000 1.245 68 H CB 0.780 30.539 29.762 -0.005 0.000 1.440 68 H HN 0.156 nan 8.280 nan 0.000 0.540 69 T N -0.367 114.214 114.554 0.045 0.000 3.151 69 T HA 0.132 4.481 4.350 -0.000 0.000 0.239 69 T C 1.912 176.601 174.700 -0.018 0.000 0.979 69 T CA 0.104 62.217 62.100 0.023 0.000 1.194 69 T CB -0.001 68.890 68.868 0.038 0.000 0.982 69 T HN 0.041 nan 8.240 nan 0.000 0.428 70 L N 1.578 122.775 121.223 -0.044 0.000 2.034 70 L HA -0.032 4.308 4.340 -0.000 0.000 0.203 70 L C 3.143 179.962 176.870 -0.084 0.000 1.074 70 L CA 1.669 56.473 54.840 -0.060 0.000 0.748 70 L CB -1.106 40.913 42.059 -0.066 0.000 0.905 70 L HN 0.440 nan 8.230 nan 0.000 0.439 71 T N -2.339 112.145 114.554 -0.117 0.000 2.720 71 T HA -0.090 4.260 4.350 -0.000 0.000 0.268 71 T C -0.465 174.169 174.700 -0.110 0.000 1.037 71 T CA 0.997 63.019 62.100 -0.130 0.000 1.144 71 T CB -1.926 66.835 68.868 -0.179 0.000 0.864 71 T HN 0.207 nan 8.240 nan 0.000 0.444 72 P HA 0.023 nan 4.420 nan 0.000 0.218 72 P C 1.554 178.818 177.300 -0.060 0.000 1.148 72 P CA 1.589 64.645 63.100 -0.074 0.000 0.822 72 P CB -0.327 31.342 31.700 -0.052 0.000 0.784 73 A N -0.784 122.004 122.820 -0.054 0.000 2.167 73 A HA 0.031 4.350 4.320 -0.000 0.000 0.214 73 A C 2.211 179.762 177.584 -0.055 0.000 1.151 73 A CA 0.680 52.690 52.037 -0.045 0.000 0.735 73 A CB -1.189 17.790 19.000 -0.035 0.000 0.802 73 A HN 0.157 nan 8.150 nan 0.000 0.467 74 L N -0.848 120.333 121.223 -0.070 0.000 2.477 74 L HA 0.187 4.527 4.340 -0.000 0.000 0.220 74 L C -0.052 176.772 176.870 -0.077 0.000 1.106 74 L CA -0.399 54.394 54.840 -0.077 0.000 0.851 74 L CB -0.147 41.857 42.059 -0.092 0.000 0.994 74 L HN 0.165 nan 8.230 nan 0.000 0.462 75 I N 0.964 121.488 120.570 -0.076 0.000 2.683 75 I HA 0.072 4.242 4.170 -0.000 0.000 0.286 75 I C 1.427 177.508 176.117 -0.061 0.000 1.175 75 I CA 1.118 62.373 61.300 -0.074 0.000 1.429 75 I CB 0.389 38.344 38.000 -0.075 0.000 1.371 75 I HN 0.297 nan 8.210 nan 0.000 0.569 76 G N 3.769 112.534 108.800 -0.059 0.000 2.199 76 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.254 76 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.254 76 G C 0.433 175.302 174.900 -0.051 0.000 0.982 76 G CA -0.007 45.063 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 0.587 4.927 4.340 -0.000 0.000 0.241 77 Q C 0.130 176.089 176.000 -0.069 0.000 0.948 77 Q CA -0.585 55.181 55.803 -0.061 0.000 0.886 77 Q CB 0.719 29.417 28.738 -0.067 0.000 1.227 77 Q HN 0.275 nan 8.270 nan 0.000 0.457 78 N N 3.261 121.919 118.700 -0.070 0.000 2.406 78 N HA 0.191 4.931 4.740 -0.000 0.000 0.251 78 N C -2.076 173.372 175.510 -0.104 0.000 1.069 78 N CA -1.793 51.210 53.050 -0.078 0.000 0.947 78 N CB 1.038 39.484 38.487 -0.069 0.000 1.111 78 N HN 0.375 nan 8.380 nan 0.000 0.497 79 P HA -0.076 nan 4.420 nan 0.000 0.230 79 P C 1.119 178.301 177.300 -0.196 0.000 1.158 79 P CA 0.706 63.715 63.100 -0.152 0.000 0.769 79 P CB 0.340 31.961 31.700 -0.132 0.000 0.807 80 M N -0.487 119.018 119.600 -0.160 0.000 2.419 80 M HA -0.011 4.469 4.480 -0.000 0.000 0.264 80 M C 0.479 176.664 176.300 -0.191 0.000 1.082 80 M CA 0.917 56.115 55.300 -0.170 0.000 1.119 80 M CB -1.369 31.165 32.600 -0.111 0.000 1.398 80 M HN 0.018 nan 8.290 nan 0.000 0.453 81 N N 1.389 119.988 118.700 -0.167 0.000 3.083 81 N HA 0.108 4.848 4.740 -0.000 0.000 0.260 81 N C 1.057 176.444 175.510 -0.204 0.000 1.163 81 N CA -0.366 52.590 53.050 -0.157 0.000 1.060 81 N CB 1.021 39.449 38.487 -0.098 0.000 1.345 81 N HN 0.061 nan 8.380 nan 0.000 0.515 82 I N 1.437 121.811 120.570 -0.327 0.000 2.208 82 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 82 I C 2.251 178.207 176.117 -0.267 0.000 1.097 82 I CA 1.758 62.818 61.300 -0.400 0.000 1.363 82 I CB -0.217 37.354 38.000 -0.716 0.000 1.051 82 I HN 0.501 nan 8.210 nan 0.000 0.413 83 E N 0.879 120.895 120.200 -0.307 0.000 2.077 83 E HA -0.293 4.057 4.350 -0.000 0.000 0.193 83 E C 2.187 178.819 176.600 0.054 0.000 0.989 83 E CA 1.774 58.158 56.400 -0.027 0.000 0.800 83 E CB -0.114 29.621 29.700 0.058 0.000 0.746 83 E HN 0.236 nan 8.360 nan 0.000 0.452 84 K N -0.006 120.386 120.400 -0.013 0.000 2.025 84 K HA -0.051 4.269 4.320 -0.000 0.000 0.207 84 K C 1.934 178.527 176.600 -0.012 0.000 1.049 84 K CA 1.289 57.573 56.287 -0.006 0.000 0.933 84 K CB -0.248 32.232 32.500 -0.033 0.000 0.714 84 K HN 0.144 nan 8.250 nan 0.000 0.438 85 I N 0.835 121.373 120.570 -0.054 0.000 2.163 85 I HA -0.287 3.882 4.170 -0.000 0.000 0.243 85 I C 1.971 178.029 176.117 -0.098 0.000 1.085 85 I CA 1.805 63.045 61.300 -0.099 0.000 1.347 85 I CB -1.088 36.812 38.000 -0.166 0.000 1.044 85 I HN 0.340 nan 8.210 nan 0.000 0.408 86 H N -0.192 118.875 119.070 -0.005 0.000 2.423 86 H HA -0.165 4.391 4.556 -0.000 0.000 0.297 86 H C 1.961 177.314 175.328 0.042 0.000 1.075 86 H CA 1.738 57.813 56.048 0.045 0.000 1.342 86 H CB -0.060 29.777 29.762 0.125 0.000 1.395 86 H HN 0.307 nan 8.280 nan 0.000 0.530 87 D N -0.259 120.226 120.400 0.142 0.000 2.117 87 D HA -0.167 4.472 4.640 -0.000 0.000 0.197 87 D C 2.203 178.534 176.300 0.052 0.000 0.987 87 D CA 0.958 55.014 54.000 0.094 0.000 0.829 87 D CB -0.028 40.815 40.800 0.073 0.000 0.961 87 D HN 0.185 nan 8.370 nan 0.000 0.460 88 M N -0.342 119.270 119.600 0.021 0.000 2.086 88 M HA -0.094 4.386 4.480 -0.000 0.000 0.261 88 M C 1.971 178.269 176.300 -0.003 0.000 1.067 88 M CA 1.588 56.887 55.300 -0.001 0.000 1.116 88 M CB -0.368 32.217 32.600 -0.026 0.000 1.348 88 M HN 0.077 nan 8.290 nan 0.000 0.407 89 M N -0.285 119.302 119.600 -0.021 0.000 2.086 89 M HA -0.213 4.267 4.480 -0.000 0.000 0.261 89 M C 1.636 177.948 176.300 0.020 0.000 1.067 89 M CA 1.792 57.078 55.300 -0.023 0.000 1.116 89 M CB -1.007 31.548 32.600 -0.074 0.000 1.348 89 M HN 0.222 nan 8.290 nan 0.000 0.407 90 D N 0.450 120.880 120.400 0.049 0.000 2.144 90 D HA -0.119 4.521 4.640 -0.000 0.000 0.199 90 D C 1.494 177.839 176.300 0.075 0.000 0.984 90 D CA 1.201 55.242 54.000 0.068 0.000 0.834 90 D CB -0.608 40.244 40.800 0.086 0.000 0.955 90 D HN 0.494 nan 8.370 nan 0.000 0.465 91 N N -0.529 118.206 118.700 0.058 0.000 2.244 91 N HA -0.117 4.623 4.740 -0.000 0.000 0.183 91 N C 1.827 177.364 175.510 0.046 0.000 1.016 91 N CA 1.435 54.516 53.050 0.052 0.000 0.866 91 N CB 0.113 38.623 38.487 0.037 0.000 0.980 91 N HN 0.215 nan 8.380 nan 0.000 0.430 92 T N -1.430 113.145 114.554 0.035 0.000 3.014 92 T HA 0.111 4.461 4.350 -0.000 0.000 0.263 92 T C 0.635 175.362 174.700 0.045 0.000 1.078 92 T CA 0.295 62.412 62.100 0.029 0.000 1.135 92 T CB 0.228 69.103 68.868 0.011 0.000 0.895 92 T HN 0.119 nan 8.240 nan 0.000 0.480 93 I N 0.010 120.617 120.570 0.061 0.000 2.787 93 I HA 0.476 4.646 4.170 -0.000 0.000 0.294 93 I C -1.763 174.432 176.117 0.130 0.000 1.365 93 I CA -1.627 59.727 61.300 0.090 0.000 1.029 93 I CB 2.098 40.137 38.000 0.066 0.000 1.313 93 I HN 0.199 nan 8.210 nan 0.000 0.431 94 Y N 7.263 127.578 120.300 0.026 0.000 2.304 94 Y HA 0.619 5.168 4.550 -0.000 0.000 0.327 94 Y C 0.893 176.813 175.900 0.034 0.000 1.209 94 Y CA 1.504 59.622 58.100 0.030 0.000 1.299 94 Y CB 1.176 39.651 38.460 0.024 0.000 1.249 94 Y HN 0.950 nan 8.280 nan 0.000 0.519 95 G N 1.877 110.369 108.800 -0.514 0.000 2.556 95 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.283 95 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.283 95 G C 0.193 175.035 174.900 -0.096 0.000 1.177 95 G CA -0.042 44.862 45.100 -0.328 0.000 0.978 95 G HN 1.663 nan 8.290 nan 0.000 0.554 96 V N 1.348 121.250 119.914 -0.020 0.000 5.691 96 V HA -0.215 3.905 4.120 -0.000 0.000 0.288 96 V C 0.265 176.365 176.094 0.011 0.000 0.615 96 V CA 2.359 64.669 62.300 0.016 0.000 0.619 96 V CB -0.936 30.906 31.823 0.033 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 1.523 178.849 177.300 0.043 0.000 1.150 97 P CA 1.973 65.084 63.100 0.019 0.000 0.832 97 P CB 0.101 31.803 31.700 0.004 0.000 0.787 98 T N 0.239 114.821 114.554 0.046 0.000 2.777 98 T HA -0.056 4.294 4.350 -0.000 0.000 0.266 98 T C 2.118 176.854 174.700 0.060 0.000 1.040 98 T CA 1.745 63.881 62.100 0.060 0.000 1.141 98 T CB -0.806 68.106 68.868 0.073 0.000 0.868 98 T HN 0.097 nan 8.240 nan 0.000 0.444 99 A N 1.811 124.661 122.820 0.050 0.000 1.902 99 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 99 A C 2.235 179.829 177.584 0.017 0.000 1.181 99 A CA 1.532 53.588 52.037 0.033 0.000 0.623 99 A CB -0.414 18.599 19.000 0.022 0.000 0.818 99 A HN 0.462 nan 8.150 nan 0.000 0.443 100 K N -0.220 120.191 120.400 0.019 0.000 2.148 100 K HA -0.013 4.307 4.320 -0.000 0.000 0.204 100 K C 2.243 178.866 176.600 0.039 0.000 1.050 100 K CA 0.963 57.252 56.287 0.003 0.000 0.942 100 K CB -0.303 32.213 32.500 0.026 0.000 0.724 100 K HN 0.444 nan 8.250 nan 0.000 0.446 101 A N 1.720 124.586 122.820 0.077 0.000 1.902 101 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 101 A C 2.411 180.049 177.584 0.089 0.000 1.181 101 A CA 1.797 53.896 52.037 0.104 0.000 0.623 101 A CB -0.697 18.355 19.000 0.086 0.000 0.818 101 A HN 0.320 nan 8.150 nan 0.000 0.443 102 A N -0.262 122.597 122.820 0.066 0.000 1.940 102 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 102 A C 2.120 179.733 177.584 0.047 0.000 1.176 102 A CA 1.670 53.746 52.037 0.065 0.000 0.631 102 A CB -0.546 18.488 19.000 0.056 0.000 0.814 102 A HN 0.513 nan 8.150 nan 0.000 0.446 103 I N -0.621 119.956 120.570 0.011 0.000 2.333 103 I HA -0.168 4.002 4.170 -0.000 0.000 0.246 103 I C 2.350 178.464 176.117 -0.006 0.000 1.106 103 I CA 1.393 62.677 61.300 -0.026 0.000 1.411 103 I CB -0.267 37.685 38.000 -0.081 0.000 1.082 103 I HN 0.456 nan 8.210 nan 0.000 0.420 104 D N 1.647 122.067 120.400 0.033 0.000 2.104 104 D HA -0.212 4.428 4.640 -0.000 0.000 0.194 104 D C 2.223 178.685 176.300 0.270 0.000 0.994 104 D CA 1.655 55.750 54.000 0.158 0.000 0.830 104 D CB 0.030 41.024 40.800 0.324 0.000 0.959 104 D HN 0.327 nan 8.370 nan 0.000 0.452 105 I N 1.217 121.914 120.570 0.213 0.000 2.226 105 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 105 I C 2.806 179.026 176.117 0.171 0.000 1.100 105 I CA 1.125 62.551 61.300 0.210 0.000 1.374 105 I CB -0.302 37.783 38.000 0.142 0.000 1.057 105 I HN 0.015 nan 8.210 nan 0.000 0.413 106 A N -0.127 122.755 122.820 0.103 0.000 1.933 106 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 106 A C 2.442 180.036 177.584 0.016 0.000 1.175 106 A CA 1.779 53.848 52.037 0.055 0.000 0.628 106 A CB -1.200 17.804 19.000 0.007 0.000 0.814 106 A HN 0.547 nan 8.150 nan 0.000 0.444 107 C N -1.948 117.342 119.300 -0.017 0.000 2.429 107 C HA -0.066 4.394 4.460 -0.000 0.000 0.277 107 C C 2.410 177.300 174.990 -0.167 0.000 1.262 107 C CA 0.833 59.774 59.018 -0.127 0.000 1.733 107 C CB -1.718 25.891 27.740 -0.218 0.000 2.010 107 C HN 0.637 nan 8.230 nan 0.000 0.483 108 F N 0.979 120.915 119.950 -0.023 0.000 2.186 108 F HA -0.105 4.422 4.527 -0.000 0.000 0.299 108 F C 2.181 177.948 175.800 -0.055 0.000 1.090 108 F CA 1.879 59.858 58.000 -0.035 0.000 1.307 108 F CB -0.428 38.560 39.000 -0.021 0.000 1.019 108 F HN 0.191 nan 8.300 nan 0.000 0.489 109 D N 0.668 121.143 120.400 0.125 0.000 2.092 109 D HA -0.192 4.448 4.640 -0.000 0.000 0.193 109 D C 2.220 178.535 176.300 0.025 0.000 0.994 109 D CA 1.478 55.515 54.000 0.062 0.000 0.828 109 D CB -0.264 40.590 40.800 0.090 0.000 0.963 109 D HN 0.247 nan 8.370 nan 0.000 0.450 110 I N 0.010 120.580 120.570 -0.000 0.000 2.226 110 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 110 I C 2.621 178.715 176.117 -0.039 0.000 1.100 110 I CA 0.821 62.104 61.300 -0.027 0.000 1.374 110 I CB -0.232 37.735 38.000 -0.055 0.000 1.057 110 I HN 0.153 nan 8.210 nan 0.000 0.413 111 M N 0.377 119.941 119.600 -0.061 0.000 2.080 111 M HA -0.180 4.300 4.480 -0.000 0.000 0.260 111 M C 2.213 178.501 176.300 -0.021 0.000 1.068 111 M CA 2.354 57.614 55.300 -0.067 0.000 1.109 111 M CB -0.513 32.011 32.600 -0.127 0.000 1.342 111 M HN 0.312 nan 8.290 nan 0.000 0.405 112 G N 0.131 108.932 108.800 0.000 0.000 2.418 112 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 112 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 112 G C 1.523 176.412 174.900 -0.019 0.000 1.158 112 G CA 0.863 45.955 45.100 -0.014 0.000 0.771 112 G HN 0.443 nan 8.290 nan 0.000 0.545 113 K N 0.234 120.627 120.400 -0.012 0.000 2.057 113 K HA -0.077 4.243 4.320 -0.000 0.000 0.207 113 K C 2.429 179.023 176.600 -0.009 0.000 1.049 113 K CA 1.377 57.660 56.287 -0.006 0.000 0.931 113 K CB -0.093 32.410 32.500 0.005 0.000 0.714 113 K HN 0.188 nan 8.250 nan 0.000 0.440 114 K N 1.627 122.018 120.400 -0.015 0.000 2.063 114 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 114 K C 1.460 178.052 176.600 -0.013 0.000 1.048 114 K CA 1.405 57.682 56.287 -0.017 0.000 0.928 114 K CB -0.112 32.371 32.500 -0.028 0.000 0.713 114 K HN 0.092 nan 8.250 nan 0.000 0.442 115 L N 0.800 122.016 121.223 -0.011 0.000 2.611 115 L HA 0.145 4.485 4.340 -0.000 0.000 0.229 115 L C 0.206 177.074 176.870 -0.004 0.000 1.137 115 L CA -0.103 54.734 54.840 -0.005 0.000 0.901 115 L CB -0.720 41.339 42.059 0.001 0.000 1.098 115 L HN 0.415 nan 8.230 nan 0.000 0.456 116 N N 1.943 120.638 118.700 -0.008 0.000 2.667 116 N HA -0.230 4.510 4.740 -0.000 0.000 0.263 116 N C -0.257 175.246 175.510 -0.012 0.000 1.038 116 N CA 0.370 53.415 53.050 -0.008 0.000 0.749 116 N CB -0.170 38.316 38.487 -0.002 0.000 0.892 116 N HN 0.444 nan 8.380 nan 0.000 0.546 117 Q N 0.311 120.095 119.800 -0.026 0.000 2.472 117 Q HA 0.521 4.861 4.340 -0.000 0.000 0.281 117 Q C -2.741 173.198 176.000 -0.103 0.000 0.997 117 Q CA -1.113 54.662 55.803 -0.046 0.000 0.828 117 Q CB 2.163 30.889 28.738 -0.020 0.000 1.443 117 Q HN 0.106 nan 8.270 nan 0.000 0.390 118 P HA 0.011 nan 4.420 nan 0.000 0.274 118 P C 0.313 177.410 177.300 -0.338 0.000 1.237 118 P CA -0.152 62.750 63.100 -0.329 0.000 0.793 118 P CB 0.951 32.259 31.700 -0.652 0.000 0.977 119 V N 2.072 121.756 119.914 -0.383 0.000 2.282 119 V HA -0.309 3.811 4.120 -0.000 0.000 0.249 119 V C 2.437 178.560 176.094 0.048 0.000 1.057 119 V CA 2.631 64.793 62.300 -0.230 0.000 1.032 119 V CB -2.011 29.489 31.823 -0.539 0.000 0.645 119 V HN 0.613 nan 8.190 nan 0.000 0.447 120 Y N 1.011 121.585 120.300 0.457 0.000 2.365 120 Y HA -0.238 4.312 4.550 -0.000 0.000 0.287 120 Y C 2.274 178.300 175.900 0.209 0.000 1.162 120 Y CA 1.537 59.827 58.100 0.316 0.000 1.260 120 Y CB -1.177 37.463 38.460 0.300 0.000 0.976 120 Y HN 0.320 nan 8.280 nan 0.000 0.548 121 Q N 0.621 120.557 119.800 0.228 0.000 2.297 121 Q HA -0.005 4.335 4.340 -0.000 0.000 0.204 121 Q C 1.421 177.532 176.000 0.184 0.000 0.962 121 Q CA 1.105 57.049 55.803 0.234 0.000 0.879 121 Q CB -0.173 28.621 28.738 0.094 0.000 0.947 121 Q HN 0.526 nan 8.270 nan 0.000 0.462 122 L N 0.456 121.784 121.223 0.176 0.000 2.558 122 L HA 0.151 4.491 4.340 -0.000 0.000 0.225 122 L C 1.228 178.248 176.870 0.248 0.000 1.128 122 L CA 0.691 55.654 54.840 0.205 0.000 0.868 122 L CB -0.634 41.579 42.059 0.257 0.000 1.006 122 L HN 0.426 nan 8.230 nan 0.000 0.454 123 I N -4.181 116.528 120.570 0.231 0.000 3.491 123 I HA 0.630 4.800 4.170 -0.000 0.000 0.332 123 I C 0.818 177.061 176.117 0.210 0.000 1.565 123 I CA 0.139 61.568 61.300 0.215 0.000 1.050 123 I CB 0.505 38.582 38.000 0.129 0.000 1.348 123 I HN 0.098 nan 8.210 nan 0.000 0.506 124 G N 0.310 109.237 108.800 0.212 0.000 2.367 124 G HA2 0.190 4.150 3.960 -0.000 0.000 0.181 124 G HA3 0.190 4.150 3.960 -0.000 0.000 0.181 124 G C 0.636 175.656 174.900 0.200 0.000 1.000 124 G CA -0.159 45.057 45.100 0.193 0.000 0.693 124 G HN 1.456 nan 8.290 nan 0.000 0.480 125 G N -0.453 108.501 108.800 0.256 0.000 2.728 125 G HA2 0.140 4.100 3.960 -0.000 0.000 0.294 125 G HA3 0.140 4.100 3.960 -0.000 0.000 0.294 125 G C -0.249 174.799 174.900 0.247 0.000 1.342 125 G CA 0.429 45.696 45.100 0.278 0.000 0.866 125 G HN 1.134 nan 8.290 nan 0.000 0.534 126 R N -0.197 120.375 120.500 0.120 0.000 2.308 126 R HA 0.562 4.902 4.340 -0.000 0.000 0.305 126 R C 0.569 176.857 176.300 -0.020 0.000 1.053 126 R CA -0.268 55.750 56.100 -0.136 0.000 0.957 126 R CB 0.429 30.528 30.300 -0.335 0.000 1.022 126 R HN 0.775 nan 8.270 nan 0.000 0.461 127 Y N 3.164 123.386 120.300 -0.129 0.000 2.673 127 Y HA 0.219 4.769 4.550 -0.000 0.000 0.278 127 Y C 0.095 175.780 175.900 -0.359 0.000 1.127 127 Y CA 0.238 58.196 58.100 -0.236 0.000 1.261 127 Y CB 0.521 38.799 38.460 -0.303 0.000 1.412 127 Y HN 0.569 nan 8.280 nan 0.000 0.496 128 H N 0.969 119.992 119.070 -0.078 0.000 2.482 128 H HA 0.207 4.763 4.556 -0.000 0.000 0.344 128 H C 0.392 175.599 175.328 -0.201 0.000 1.151 128 H CA -0.067 55.788 56.048 -0.320 0.000 1.300 128 H CB 1.800 31.130 29.762 -0.720 0.000 1.494 128 H HN 0.287 nan 8.280 nan 0.000 0.542 129 E N 0.920 121.052 120.200 -0.113 0.000 2.127 129 E HA 0.008 4.358 4.350 -0.000 0.000 0.191 129 E C 0.293 176.950 176.600 0.095 0.000 0.964 129 E CA 0.677 57.063 56.400 -0.024 0.000 0.832 129 E CB 0.806 30.447 29.700 -0.098 0.000 0.790 129 E HN 0.801 nan 8.360 nan 0.000 0.465 130 E N -1.502 118.641 120.200 -0.096 0.000 2.429 130 E HA 0.474 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 -0.699 55.697 56.400 -0.007 0.000 0.837 130 E CB 0.994 30.718 29.700 0.039 0.000 1.357 130 E HN -0.177 nan 8.360 nan 0.000 0.455 131 F N 0.437 120.353 119.950 -0.055 0.000 2.576 131 F HA 0.507 5.034 4.527 -0.000 0.000 0.313 131 F C -2.339 173.496 175.800 0.058 0.000 1.078 131 F CA -1.935 56.014 58.000 -0.084 0.000 0.921 131 F CB 2.513 41.398 39.000 -0.191 0.000 1.232 131 F HN 0.261 nan 8.300 nan 0.000 0.459 132 P HA 0.235 nan 4.420 nan 0.000 0.276 132 P C -1.035 176.256 177.300 -0.014 0.000 1.244 132 P CA -0.238 62.805 63.100 -0.094 0.000 0.801 132 P CB 1.793 33.421 31.700 -0.120 0.000 1.006 133 V N 1.632 121.488 119.914 -0.097 0.000 2.483 133 V HA 0.395 4.514 4.120 -0.000 0.000 0.295 133 V C 0.855 176.993 176.094 0.074 0.000 1.035 133 V CA -0.254 62.090 62.300 0.073 0.000 0.896 133 V CB 1.395 33.320 31.823 0.170 0.000 0.986 133 V HN 0.756 nan 8.190 nan 0.000 0.447 134 T N 1.510 116.081 114.554 0.029 0.000 2.824 134 T HA 0.482 4.832 4.350 -0.000 0.000 0.280 134 T C -0.578 173.994 174.700 -0.213 0.000 0.995 134 T CA -0.555 61.478 62.100 -0.112 0.000 1.009 134 T CB 0.963 69.763 68.868 -0.114 0.000 0.955 134 T HN 0.750 nan 8.240 nan 0.000 0.452 135 H N 3.169 121.839 119.070 -0.666 0.000 2.668 135 H HA 0.486 5.042 4.556 -0.000 0.000 0.303 135 H C 0.202 175.369 175.328 -0.268 0.000 1.074 135 H CA -0.385 55.256 56.048 -0.678 0.000 1.406 135 H CB 0.645 29.669 29.762 -1.230 0.000 1.442 135 H HN 0.703 nan 8.280 nan 0.000 0.482 136 V N 5.078 124.598 119.914 -0.658 0.000 2.432 136 V HA 0.335 4.455 4.120 -0.000 0.000 0.271 136 V C -0.282 175.555 176.094 -0.429 0.000 1.046 136 V CA -0.712 61.367 62.300 -0.369 0.000 0.945 136 V CB 0.500 32.231 31.823 -0.154 0.000 0.992 136 V HN 0.622 nan 8.190 nan 0.000 0.471 137 L N 5.298 126.410 121.223 -0.185 0.000 2.255 137 L HA 0.428 4.768 4.340 -0.000 0.000 0.289 137 L C 0.860 177.667 176.870 -0.105 0.000 1.046 137 L CA 0.047 54.831 54.840 -0.094 0.000 0.816 137 L CB 1.175 43.229 42.059 -0.009 0.000 1.197 137 L HN 0.768 nan 8.230 nan 0.000 0.427 138 S N 3.234 118.871 115.700 -0.105 0.000 2.573 138 S HA 0.269 4.738 4.470 -0.000 0.000 0.277 138 S C 0.495 174.998 174.600 -0.161 0.000 1.346 138 S CA -0.519 57.565 58.200 -0.194 0.000 1.034 138 S CB 0.573 63.663 63.200 -0.184 0.000 0.879 138 S HN 0.358 nan 8.310 nan 0.000 0.528 139 I N 2.531 122.978 120.570 -0.205 0.000 2.845 139 I HA 0.078 4.247 4.170 -0.000 0.000 0.290 139 I C 0.635 176.688 176.117 -0.106 0.000 1.202 139 I CA 0.217 61.427 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 0.655 nan 8.210 nan 0.000 0.549 140 A N 5.622 128.396 122.820 -0.077 0.000 2.535 140 A HA 0.572 4.892 4.320 -0.000 0.000 0.296 140 A C -1.171 176.386 177.584 -0.044 0.000 1.248 140 A CA -0.776 51.227 52.037 -0.055 0.000 0.686 140 A CB 0.834 19.807 19.000 -0.046 0.000 1.315 140 A HN 0.533 nan 8.150 nan 0.000 0.460 141 D N 0.546 120.925 120.400 -0.035 0.000 2.339 141 D HA 0.411 5.051 4.640 -0.000 0.000 0.245 141 D C -1.722 174.560 176.300 -0.030 0.000 1.115 141 D CA -0.969 53.014 54.000 -0.028 0.000 0.917 141 D CB 0.701 41.487 40.800 -0.023 0.000 1.192 141 D HN 0.126 nan 8.370 nan 0.000 0.428 142 P HA -0.224 nan 4.420 nan 0.000 0.219 142 P C 0.879 178.158 177.300 -0.035 0.000 1.153 142 P CA 1.321 64.404 63.100 -0.028 0.000 0.865 142 P CB 0.313 32.001 31.700 -0.020 0.000 0.788 143 E N -2.060 118.121 120.200 -0.031 0.000 2.340 143 E HA 0.037 4.387 4.350 -0.000 0.000 0.194 143 E C 1.635 178.214 176.600 -0.036 0.000 0.996 143 E CA 0.290 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 0.262 nan 8.360 nan 0.000 0.493 144 N N 0.018 118.699 118.700 -0.032 0.000 2.331 144 N HA -0.026 4.714 4.740 -0.000 0.000 0.180 144 N C 1.709 177.198 175.510 -0.035 0.000 1.019 144 N CA 0.764 53.797 53.050 -0.029 0.000 0.881 144 N CB 0.072 38.544 38.487 -0.025 0.000 0.972 144 N HN 0.256 nan 8.380 nan 0.000 0.435 145 M N 0.057 119.630 119.600 -0.046 0.000 2.357 145 M HA 0.101 4.581 4.480 -0.000 0.000 0.266 145 M C 2.257 178.504 176.300 -0.088 0.000 1.095 145 M CA 0.522 55.787 55.300 -0.058 0.000 1.156 145 M CB -0.058 32.505 32.600 -0.062 0.000 1.365 145 M HN 0.027 nan 8.290 nan 0.000 0.447 146 A N 0.348 123.115 122.820 -0.087 0.000 1.972 146 A HA -0.208 4.111 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 1.955 53.926 52.037 -0.111 0.000 0.635 146 A CB -0.668 18.283 19.000 -0.082 0.000 0.810 146 A HN 0.568 nan 8.150 nan 0.000 0.446 147 E N -0.429 119.726 120.200 -0.076 0.000 2.028 147 E HA -0.194 4.156 4.350 -0.000 0.000 0.190 147 E C 2.008 178.574 176.600 -0.058 0.000 0.984 147 E CA 0.976 57.340 56.400 -0.060 0.000 0.800 147 E CB -0.222 29.456 29.700 -0.037 0.000 0.758 147 E HN 0.701 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 -0.223 4.127 4.350 -0.000 0.000 0.196 148 E C 1.700 178.286 176.600 -0.023 0.000 0.993 148 E CA 0.940 57.336 56.400 -0.006 0.000 0.819 148 E CB -0.049 29.677 29.700 0.043 0.000 0.745 148 E HN 0.344 nan 8.360 nan 0.000 0.477 149 A N 0.719 123.454 122.820 -0.142 0.000 1.930 149 A HA 0.106 4.426 4.320 -0.000 0.000 0.215 149 A C 2.321 179.748 177.584 -0.262 0.000 1.176 149 A CA 1.112 52.907 52.037 -0.403 0.000 0.632 149 A CB -0.400 18.142 19.000 -0.763 0.000 0.819 149 A HN 0.361 nan 8.150 nan 0.000 0.445 150 A N -0.062 122.662 122.820 -0.159 0.000 1.940 150 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 150 A C 2.425 180.000 177.584 -0.016 0.000 1.176 150 A CA 2.160 54.148 52.037 -0.082 0.000 0.631 150 A CB -0.787 18.174 19.000 -0.064 0.000 0.814 150 A HN 0.451 nan 8.150 nan 0.000 0.446 151 S N -0.081 115.614 115.700 -0.009 0.000 2.335 151 S HA -0.142 4.328 4.470 -0.000 0.000 0.216 151 S C 2.006 176.642 174.600 0.059 0.000 1.032 151 S CA 1.717 59.926 58.200 0.015 0.000 1.000 151 S CB -0.379 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 1.142 120.787 119.600 0.076 0.000 2.267 152 M HA -0.030 4.449 4.480 -0.000 0.000 0.263 152 M C 1.920 178.434 176.300 0.357 0.000 1.063 152 M CA 0.904 56.309 55.300 0.174 0.000 1.090 152 M CB -1.414 31.149 32.600 -0.061 0.000 1.392 152 M HN 0.226 nan 8.290 nan 0.000 0.422 153 I N 1.002 121.770 120.570 0.331 0.000 2.151 153 I HA -0.265 3.905 4.170 -0.000 0.000 0.243 153 I C 1.823 178.037 176.117 0.161 0.000 1.080 153 I CA 1.458 62.930 61.300 0.286 0.000 1.339 153 I CB -1.167 36.919 38.000 0.143 0.000 1.039 153 I HN 0.511 nan 8.210 nan 0.000 0.409 154 Q N 1.338 121.201 119.800 0.105 0.000 2.642 154 Q HA 0.085 4.425 4.340 -0.000 0.000 0.319 154 Q C 0.230 176.259 176.000 0.048 0.000 1.030 154 Q CA 0.138 55.978 55.803 0.060 0.000 0.943 154 Q CB -0.068 28.693 28.738 0.039 0.000 1.323 154 Q HN 0.418 nan 8.270 nan 0.000 0.419 155 K N -0.585 119.843 120.400 0.047 0.000 2.614 155 K HA 0.219 4.539 4.320 -0.000 0.000 0.190 155 K C 0.560 177.084 176.600 -0.126 0.000 1.255 155 K CA 0.189 56.468 56.287 -0.014 0.000 1.099 155 K CB 1.420 33.937 32.500 0.028 0.000 1.023 155 K HN 0.420 nan 8.250 nan 0.000 0.576 156 G N 0.964 109.716 108.800 -0.080 0.000 2.284 156 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.216 156 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.216 156 G C -0.081 174.709 174.900 -0.184 0.000 1.009 156 G CA -0.444 44.573 45.100 -0.140 0.000 0.625 156 G HN 0.225 nan 8.290 nan 0.000 0.501 157 Y N 1.176 121.403 120.300 -0.121 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 -0.149 0.000 1.263 157 Y CA 1.460 59.419 58.100 -0.235 0.000 1.572 157 Y CB 0.633 38.857 38.460 -0.394 0.000 1.237 157 Y HN 0.295 nan 8.280 nan 0.000 0.568 158 Q N 1.552 121.332 119.800 -0.034 0.000 2.350 158 Q HA 0.117 4.457 4.340 -0.000 0.000 0.225 158 Q C -0.479 175.535 176.000 0.023 0.000 0.878 158 Q CA 0.271 56.079 55.803 0.008 0.000 0.935 158 Q CB 0.728 29.440 28.738 -0.044 0.000 1.099 158 Q HN 0.617 nan 8.270 nan 0.000 0.527 159 S N -1.286 114.349 115.700 -0.109 0.000 2.541 159 S HA 0.751 5.221 4.470 -0.000 0.000 0.271 159 S C -0.983 173.428 174.600 -0.314 0.000 1.133 159 S CA -0.856 57.300 58.200 -0.074 0.000 0.876 159 S CB 0.992 64.145 63.200 -0.079 0.000 1.105 159 S HN 0.017 nan 8.310 nan 0.000 0.470 160 F N 0.825 120.720 119.950 -0.092 0.000 2.593 160 F HA 0.704 5.230 4.527 -0.000 0.000 0.320 160 F C 0.086 175.788 175.800 -0.163 0.000 1.060 160 F CA -0.808 57.124 58.000 -0.113 0.000 0.940 160 F CB 2.218 41.165 39.000 -0.088 0.000 1.268 160 F HN 0.749 nan 8.300 nan 0.000 0.475 161 K N 2.646 123.061 120.400 0.025 0.000 2.502 161 K HA 0.564 4.884 4.320 -0.000 0.000 0.254 161 K C -1.487 175.082 176.600 -0.051 0.000 0.947 161 K CA -0.425 55.822 56.287 -0.066 0.000 0.834 161 K CB 1.012 33.462 32.500 -0.084 0.000 1.112 161 K HN 0.711 nan 8.250 nan 0.000 0.427 162 M N 4.199 123.758 119.600 -0.069 0.000 2.108 162 M HA 0.267 4.747 4.480 -0.000 0.000 0.354 162 M C -0.285 175.955 176.300 -0.100 0.000 1.229 162 M CA -0.642 54.613 55.300 -0.075 0.000 1.081 162 M CB 1.264 33.822 32.600 -0.069 0.000 1.606 162 M HN 0.237 nan 8.290 nan 0.000 0.467 163 K N 3.878 124.205 120.400 -0.121 0.000 2.276 163 K HA 0.456 4.776 4.320 -0.000 0.000 0.285 163 K C -0.298 176.211 176.600 -0.151 0.000 1.062 163 K CA -0.135 56.055 56.287 -0.162 0.000 0.918 163 K CB 0.890 33.254 32.500 -0.227 0.000 1.055 163 K HN 0.643 nan 8.250 nan 0.000 0.477 164 V N -1.472 118.348 119.914 -0.157 0.000 3.204 164 V HA 0.904 5.023 4.120 -0.000 0.000 0.308 164 V C 0.566 176.568 176.094 -0.153 0.000 1.324 164 V CA -0.159 62.074 62.300 -0.112 0.000 1.042 164 V CB 1.302 33.104 31.823 -0.035 0.000 1.167 164 V HN 0.797 nan 8.190 nan 0.000 0.478 165 G N -0.591 108.169 108.800 -0.066 0.000 2.155 165 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.135 165 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.135 165 G C 0.461 175.374 174.900 0.021 0.000 1.023 165 G CA 0.920 45.974 45.100 -0.077 0.000 0.688 165 G HN 1.836 nan 8.290 nan 0.000 0.499 166 T N -3.098 111.487 114.554 0.052 0.000 3.021 166 T HA 0.340 4.690 4.350 -0.000 0.000 0.245 166 T C 0.632 175.381 174.700 0.081 0.000 1.028 166 T CA 1.204 63.327 62.100 0.038 0.000 1.139 166 T CB 0.466 69.336 68.868 0.003 0.000 0.884 166 T HN 0.906 nan 8.240 nan 0.000 0.457 167 N N -0.043 118.724 118.700 0.112 0.000 2.578 167 N HA 0.284 5.024 4.740 -0.000 0.000 0.282 167 N C 0.461 176.036 175.510 0.109 0.000 1.119 167 N CA -0.008 53.101 53.050 0.098 0.000 0.948 167 N CB 1.816 40.330 38.487 0.045 0.000 1.546 167 N HN -0.033 nan 8.380 nan 0.000 0.525 168 V N 4.459 124.416 119.914 0.071 0.000 2.252 168 V HA -0.298 3.822 4.120 -0.000 0.000 0.255 168 V C 2.050 178.114 176.094 -0.052 0.000 1.071 168 V CA 2.516 64.767 62.300 -0.081 0.000 1.050 168 V CB -0.372 31.252 31.823 -0.332 0.000 0.654 168 V HN 0.827 nan 8.190 nan 0.000 0.448 169 K N -0.993 119.381 120.400 -0.043 0.000 2.209 169 K HA -0.187 4.133 4.320 -0.000 0.000 0.204 169 K C 2.052 178.651 176.600 -0.002 0.000 1.048 169 K CA 1.976 58.245 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 0.748 nan 8.250 nan 0.000 0.451 170 E N 0.011 120.221 120.200 0.018 0.000 2.075 170 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 170 E C 1.561 178.186 176.600 0.041 0.000 0.969 170 E CA 0.682 57.096 56.400 0.023 0.000 0.815 170 E CB 0.072 29.785 29.700 0.022 0.000 0.776 170 E HN 0.265 nan 8.360 nan 0.000 0.457 171 D N 1.054 121.505 120.400 0.085 0.000 2.133 171 D HA -0.166 4.474 4.640 -0.000 0.000 0.195 171 D C 2.277 178.637 176.300 0.099 0.000 0.997 171 D CA 1.731 55.805 54.000 0.122 0.000 0.840 171 D CB -0.308 40.659 40.800 0.278 0.000 0.947 171 D HN 0.180 nan 8.370 nan 0.000 0.452 172 V N -0.145 119.817 119.914 0.081 0.000 2.343 172 V HA -0.217 3.903 4.120 -0.000 0.000 0.247 172 V C 2.350 178.461 176.094 0.029 0.000 1.051 172 V CA 1.610 63.940 62.300 0.050 0.000 1.036 172 V CB -0.700 31.131 31.823 0.013 0.000 0.654 172 V HN -0.091 nan 8.190 nan 0.000 0.451 173 K N 0.999 121.411 120.400 0.020 0.000 2.074 173 K HA -0.163 4.157 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 1.977 58.269 56.287 0.009 0.000 0.926 173 K CB -0.427 32.076 32.500 0.004 0.000 0.713 173 K HN 0.594 nan 8.250 nan 0.000 0.444 174 R N -0.244 120.256 120.500 0.001 0.000 2.115 174 R HA 0.013 4.353 4.340 -0.000 0.000 0.226 174 R C 2.091 178.375 176.300 -0.027 0.000 1.100 174 R CA 1.059 57.149 56.100 -0.016 0.000 0.980 174 R CB -0.310 29.980 30.300 -0.017 0.000 0.875 174 R HN 0.136 nan 8.270 nan 0.000 0.445 175 I N 1.744 122.305 120.570 -0.015 0.000 2.072 175 I HA -0.229 3.941 4.170 -0.000 0.000 0.235 175 I C 1.919 178.004 176.117 -0.053 0.000 1.058 175 I CA 1.670 62.950 61.300 -0.033 0.000 1.320 175 I CB -1.323 36.667 38.000 -0.017 0.000 1.047 175 I HN 0.107 nan 8.210 nan 0.000 0.397 176 E N 1.931 122.106 120.200 -0.040 0.000 2.267 176 E HA -0.129 4.221 4.350 -0.000 0.000 0.197 176 E C 2.127 178.705 176.600 -0.036 0.000 0.998 176 E CA 1.233 57.610 56.400 -0.040 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 1.285 124.084 122.820 -0.035 0.000 1.851 177 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 177 A C 2.534 180.078 177.584 -0.066 0.000 1.195 177 A CA 2.427 54.438 52.037 -0.042 0.000 0.622 177 A CB -1.145 17.831 19.000 -0.039 0.000 0.831 177 A HN 0.343 nan 8.150 nan 0.000 0.444 178 V N -1.399 118.462 119.914 -0.088 0.000 2.548 178 V HA -0.105 4.015 4.120 -0.000 0.000 0.249 178 V C 2.372 178.387 176.094 -0.131 0.000 1.055 178 V CA 2.418 64.639 62.300 -0.133 0.000 1.065 178 V CB -0.900 30.818 31.823 -0.174 0.000 0.681 178 V HN 0.517 nan 8.190 nan 0.000 0.462 179 R N 1.259 121.697 120.500 -0.102 0.000 2.073 179 R HA -0.150 4.190 4.340 -0.000 0.000 0.234 179 R C 2.351 178.609 176.300 -0.070 0.000 1.134 179 R CA 2.291 58.336 56.100 -0.090 0.000 0.952 179 R CB -1.147 29.099 30.300 -0.090 0.000 0.850 179 R HN 0.671 nan 8.270 nan 0.000 0.433 180 E N 0.381 120.548 120.200 -0.055 0.000 2.077 180 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 180 E C 1.896 178.468 176.600 -0.047 0.000 0.989 180 E CA 1.310 57.688 56.400 -0.037 0.000 0.800 180 E CB -0.194 29.492 29.700 -0.023 0.000 0.746 180 E HN 0.188 nan 8.360 nan 0.000 0.452 181 R N 0.685 121.146 120.500 -0.065 0.000 2.120 181 R HA -0.108 4.232 4.340 -0.000 0.000 0.234 181 R C 2.100 178.350 176.300 -0.083 0.000 1.123 181 R CA 1.698 57.754 56.100 -0.074 0.000 0.975 181 R CB -0.487 29.756 30.300 -0.095 0.000 0.866 181 R HN 0.221 nan 8.270 nan 0.000 0.446 182 V N -3.130 116.724 119.914 -0.098 0.000 3.427 182 V HA 0.546 4.665 4.120 -0.000 0.000 0.305 182 V C 0.808 176.876 176.094 -0.043 0.000 1.412 182 V CA 0.085 62.331 62.300 -0.089 0.000 1.086 182 V CB -0.352 31.379 31.823 -0.153 0.000 0.964 182 V HN 0.491 nan 8.190 nan 0.000 0.439 183 G N 1.911 110.690 108.800 -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 -0.190 174.701 174.900 -0.016 0.000 1.353 183 G CA 0.135 45.224 45.100 -0.017 0.000 0.872 183 G HN 0.521 nan 8.290 nan 0.000 0.557 184 N N 0.941 119.638 118.700 -0.005 0.000 2.401 184 N HA 0.235 4.975 4.740 -0.000 0.000 0.264 184 N C -0.126 175.387 175.510 0.006 0.000 1.238 184 N CA 0.077 53.125 53.050 -0.003 0.000 0.889 184 N CB 0.937 39.424 38.487 -0.000 0.000 1.196 184 N HN 0.513 nan 8.380 nan 0.000 0.511 185 D N -0.100 120.308 120.400 0.014 0.000 2.502 185 D HA 0.166 4.806 4.640 -0.000 0.000 0.232 185 D C 0.255 176.577 176.300 0.036 0.000 1.137 185 D CA -0.003 54.011 54.000 0.023 0.000 0.827 185 D CB 1.678 42.494 40.800 0.026 0.000 1.141 185 D HN 0.088 nan 8.370 nan 0.000 0.517 186 I N 2.323 122.919 120.570 0.043 0.000 2.352 186 I HA 0.240 4.410 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 -0.855 60.496 61.300 0.085 0.000 1.336 186 I CB 0.492 38.561 38.000 0.115 0.000 1.407 186 I HN -0.183 nan 8.210 nan 0.000 0.497 187 A N 8.348 131.201 122.820 0.055 0.000 2.477 187 A HA 0.534 4.854 4.320 -0.000 0.000 0.246 187 A C -0.014 177.566 177.584 -0.007 0.000 1.078 187 A CA 0.077 52.110 52.037 -0.005 0.000 0.770 187 A CB 0.126 19.104 19.000 -0.037 0.000 1.011 187 A HN 0.667 nan 8.150 nan 0.000 0.494 188 I N 2.586 123.102 120.570 -0.089 0.000 2.534 188 I HA 0.437 4.607 4.170 -0.000 0.000 0.288 188 I C 0.035 175.997 176.117 -0.258 0.000 1.077 188 I CA -0.579 60.654 61.300 -0.111 0.000 1.051 188 I CB 2.043 39.994 38.000 -0.082 0.000 1.234 188 I HN 0.920 nan 8.210 nan 0.000 0.425 189 R N 5.309 125.606 120.500 -0.338 0.000 2.686 189 R HA 0.839 5.179 4.340 -0.000 0.000 0.286 189 R C -1.732 174.392 176.300 -0.294 0.000 0.969 189 R CA -0.775 54.997 56.100 -0.546 0.000 0.898 189 R CB 2.652 32.328 30.300 -1.040 0.000 1.183 189 R HN 0.387 nan 8.270 nan 0.000 0.456 190 V N 1.648 121.433 119.914 -0.215 0.000 2.555 190 V HA 0.435 4.555 4.120 -0.000 0.000 0.302 190 V C -1.499 174.540 176.094 -0.092 0.000 1.038 190 V CA -0.537 61.692 62.300 -0.119 0.000 0.887 190 V CB 1.797 33.580 31.823 -0.068 0.000 0.991 190 V HN 0.939 nan 8.190 nan 0.000 0.434 191 D N 3.962 124.297 120.400 -0.109 0.000 2.481 191 D HA 0.296 4.936 4.640 -0.000 0.000 0.246 191 D C 0.154 176.326 176.300 -0.213 0.000 1.109 191 D CA 0.036 53.970 54.000 -0.110 0.000 0.845 191 D CB 2.125 42.893 40.800 -0.053 0.000 1.160 191 D HN 0.523 nan 8.370 nan 0.000 0.534 192 V N 3.294 123.014 119.914 -0.324 0.000 3.621 192 V HA 0.179 4.299 4.120 -0.000 0.000 0.285 192 V C 0.243 176.154 176.094 -0.305 0.000 1.346 192 V CA 0.026 62.048 62.300 -0.463 0.000 1.104 192 V CB -0.978 30.211 31.823 -1.057 0.000 0.913 192 V HN 0.716 nan 8.190 nan 0.000 0.432 193 N N 2.156 120.749 118.700 -0.179 0.000 2.699 193 N HA -0.287 4.453 4.740 -0.000 0.000 0.256 193 N C 0.647 176.168 175.510 0.019 0.000 0.993 193 N CA 1.418 54.439 53.050 -0.048 0.000 0.759 193 N CB -1.076 37.330 38.487 -0.135 0.000 0.906 193 N HN 0.935 nan 8.380 nan 0.000 0.541 194 Q N -4.235 115.540 119.800 -0.040 0.000 2.324 194 Q HA -0.260 4.080 4.340 -0.000 0.000 0.200 194 Q C 1.487 177.478 176.000 -0.014 0.000 0.645 194 Q CA 1.440 57.242 55.803 -0.002 0.000 1.377 194 Q CB -1.815 26.964 28.738 0.068 0.000 1.486 194 Q HN 0.620 nan 8.270 nan 0.000 0.796 195 G N 0.140 108.880 108.800 -0.099 0.000 2.507 195 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.221 195 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.221 195 G C 0.553 175.532 174.900 0.133 0.000 1.119 195 G CA 1.164 46.236 45.100 -0.046 0.000 0.751 195 G HN 0.435 nan 8.290 nan 0.000 0.574 196 W N 0.013 121.331 121.300 0.029 0.000 3.256 196 W HA 0.348 5.008 4.660 -0.000 0.000 0.269 196 W C 1.580 178.117 176.519 0.030 0.000 1.310 196 W CA -0.132 57.229 57.345 0.026 0.000 1.673 196 W CB -0.050 29.426 29.460 0.027 0.000 1.115 196 W HN 0.186 nan 8.180 nan 0.000 0.686 197 K N -0.615 119.912 120.400 0.211 0.000 9.127 197 K HA -0.339 3.981 4.320 -0.000 0.000 0.501 197 K C 0.276 176.953 176.600 0.128 0.000 0.371 197 K CA 2.420 58.790 56.287 0.138 0.000 1.951 197 K CB -1.597 30.971 32.500 0.113 0.000 0.721 197 K HN 0.433 nan 8.250 nan 0.000 1.023 198 N N -1.899 116.887 118.700 0.144 0.000 2.761 198 N HA 0.477 5.217 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 -0.190 52.931 53.050 0.119 0.000 0.791 198 N CB 1.207 39.742 38.487 0.080 0.000 1.540 198 N HN -0.010 nan 8.380 nan 0.000 0.539 199 S N -1.491 114.290 115.700 0.134 0.000 2.402 199 S HA -0.047 4.423 4.470 -0.000 0.000 0.229 199 S C 1.782 176.459 174.600 0.128 0.000 1.021 199 S CA 0.688 58.988 58.200 0.167 0.000 0.974 199 S CB -0.961 62.397 63.200 0.263 0.000 0.800 199 S HN 0.738 nan 8.310 nan 0.000 0.484 200 A N 3.380 126.254 122.820 0.090 0.000 1.845 200 A HA -0.125 4.195 4.320 -0.000 0.000 0.215 200 A C 2.188 179.776 177.584 0.007 0.000 1.195 200 A CA 1.731 53.798 52.037 0.050 0.000 0.616 200 A CB -1.030 17.989 19.000 0.032 0.000 0.832 200 A HN 0.561 nan 8.150 nan 0.000 0.443 201 N N -0.130 118.574 118.700 0.006 0.000 2.069 201 N HA -0.120 4.620 4.740 -0.000 0.000 0.191 201 N C 1.777 177.177 175.510 -0.182 0.000 1.031 201 N CA 1.985 54.990 53.050 -0.076 0.000 0.852 201 N CB -1.089 37.389 38.487 -0.015 0.000 1.018 201 N HN 0.509 nan 8.380 nan 0.000 0.423 202 T N 2.131 116.687 114.554 0.004 0.000 2.652 202 T HA -0.043 4.307 4.350 -0.000 0.000 0.267 202 T C 2.146 176.811 174.700 -0.058 0.000 1.039 202 T CA 0.803 62.950 62.100 0.078 0.000 1.153 202 T CB -0.369 68.704 68.868 0.341 0.000 0.863 202 T HN 0.142 nan 8.240 nan 0.000 0.428 203 L N 0.621 121.842 121.223 -0.003 0.000 2.131 203 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 203 L C 2.869 179.695 176.870 -0.074 0.000 1.092 203 L CA 1.118 55.949 54.840 -0.016 0.000 0.759 203 L CB -0.905 41.162 42.059 0.013 0.000 0.903 203 L HN 0.316 nan 8.230 nan 0.000 0.435 204 T N -0.292 114.191 114.554 -0.119 0.000 2.737 204 T HA -0.126 4.224 4.350 -0.000 0.000 0.265 204 T C 2.039 176.613 174.700 -0.211 0.000 1.038 204 T CA 1.242 63.258 62.100 -0.140 0.000 1.144 204 T CB -0.185 68.598 68.868 -0.142 0.000 0.866 204 T HN 0.441 nan 8.240 nan 0.000 0.434 205 A N 1.480 124.065 122.820 -0.392 0.000 1.877 205 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 205 A C 2.296 179.721 177.584 -0.266 0.000 1.186 205 A CA 1.231 52.952 52.037 -0.526 0.000 0.620 205 A CB -0.933 17.255 19.000 -1.353 0.000 0.822 205 A HN 0.478 nan 8.150 nan 0.000 0.443 206 L N -0.136 120.985 121.223 -0.170 0.000 2.127 206 L HA -0.239 4.101 4.340 -0.000 0.000 0.211 206 L C 2.796 179.665 176.870 -0.001 0.000 1.089 206 L CA 1.769 56.600 54.840 -0.015 0.000 0.757 206 L CB -0.621 41.463 42.059 0.042 0.000 0.899 206 L HN 0.601 nan 8.230 nan 0.000 0.434 207 R N -0.585 119.900 120.500 -0.025 0.000 2.189 207 R HA -0.053 4.287 4.340 -0.000 0.000 0.223 207 R C 1.603 177.917 176.300 0.023 0.000 1.092 207 R CA 1.386 57.485 56.100 -0.001 0.000 0.989 207 R CB -0.522 29.767 30.300 -0.019 0.000 0.876 207 R HN 0.121 nan 8.270 nan 0.000 0.457 208 S N 0.538 116.245 115.700 0.011 0.000 2.605 208 S HA 0.269 4.739 4.470 -0.000 0.000 0.217 208 S C 0.991 175.673 174.600 0.136 0.000 0.958 208 S CA 0.016 58.253 58.200 0.062 0.000 0.919 208 S CB 0.268 63.473 63.200 0.007 0.000 0.780 208 S HN 0.277 nan 8.310 nan 0.000 0.507 209 L N -0.032 121.244 121.223 0.088 0.000 3.135 209 L HA 0.333 4.673 4.340 -0.000 0.000 0.279 209 L C 2.042 178.917 176.870 0.009 0.000 1.200 209 L CA -0.062 54.789 54.840 0.020 0.000 1.016 209 L CB 0.039 42.118 42.059 0.032 0.000 1.391 209 L HN 0.338 nan 8.230 nan 0.000 0.588 210 G N 0.338 109.203 108.800 0.109 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 1.400 176.355 174.900 0.092 0.000 1.140 210 G CA 0.817 45.972 45.100 0.092 0.000 0.775 210 G HN 0.571 nan 8.290 nan 0.000 0.545 211 H N 0.012 119.086 119.070 0.006 0.000 2.551 211 H HA 0.215 4.771 4.556 -0.000 0.000 0.266 211 H C 1.938 177.268 175.328 0.003 0.000 0.964 211 H CA 0.005 56.055 56.048 0.003 0.000 1.180 211 H CB -0.454 29.308 29.762 -0.001 0.000 1.408 211 H HN 0.323 nan 8.280 nan 0.000 0.563 212 L N 0.473 121.389 121.223 -0.512 0.000 2.599 212 L HA -0.012 4.328 4.340 -0.000 0.000 0.230 212 L C 0.590 177.368 176.870 -0.153 0.000 1.141 212 L CA 0.179 54.802 54.840 -0.361 0.000 0.877 212 L CB -0.462 41.367 42.059 -0.383 0.000 1.009 212 L HN 0.240 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 -0.520 174.961 175.510 -0.050 0.000 1.046 213 N CA 0.315 53.339 53.050 -0.043 0.000 0.715 213 N CB -0.615 37.854 38.487 -0.030 0.000 0.895 213 N HN 0.126 nan 8.380 nan 0.000 0.545 214 I N 1.405 121.946 120.570 -0.047 0.000 2.441 214 I HA 0.069 4.239 4.170 -0.000 0.000 0.287 214 I C 1.728 177.819 176.117 -0.044 0.000 1.049 214 I CA -0.249 61.012 61.300 -0.064 0.000 1.381 214 I CB 0.824 38.797 38.000 -0.044 0.000 1.409 214 I HN 0.078 nan 8.210 nan 0.000 0.523 215 D N 4.513 124.833 120.400 -0.134 0.000 2.123 215 D HA -0.097 4.543 4.640 -0.000 0.000 0.196 215 D C -0.432 175.972 176.300 0.173 0.000 0.992 215 D CA 1.977 55.930 54.000 -0.078 0.000 0.833 215 D CB 0.065 40.623 40.800 -0.403 0.000 0.954 215 D HN 0.594 nan 8.370 nan 0.000 0.455 216 W N -1.649 119.660 121.300 0.015 0.000 3.173 216 W HA 0.477 5.137 4.660 -0.000 0.000 0.313 216 W C -2.089 174.435 176.519 0.008 0.000 1.228 216 W CA -1.090 56.263 57.345 0.013 0.000 1.185 216 W CB -0.037 29.427 29.460 0.007 0.000 1.390 216 W HN -0.378 nan 8.180 nan 0.000 0.568 217 I N 2.489 123.257 120.570 0.330 0.000 2.336 217 I HA 0.298 4.468 4.170 -0.000 0.000 0.292 217 I C 0.050 176.297 176.117 0.216 0.000 0.991 217 I CA -0.802 60.616 61.300 0.196 0.000 1.227 217 I CB 1.608 39.705 38.000 0.163 0.000 1.366 217 I HN 0.520 nan 8.210 nan 0.000 0.466 218 E N 4.828 125.116 120.200 0.146 0.000 2.175 218 E HA 0.260 4.610 4.350 -0.000 0.000 0.278 218 E C -0.485 176.103 176.600 -0.021 0.000 0.969 218 E CA -0.838 55.625 56.400 0.105 0.000 0.796 218 E CB 0.806 30.601 29.700 0.158 0.000 1.104 218 E HN 0.435 nan 8.360 nan 0.000 0.395 219 Q N 3.946 123.742 119.800 -0.007 0.000 2.410 219 Q HA -0.167 4.173 4.340 -0.000 0.000 0.369 219 Q C -1.988 173.961 176.000 -0.085 0.000 1.342 219 Q CA 0.670 56.460 55.803 -0.022 0.000 1.133 219 Q CB -0.126 28.611 28.738 -0.002 0.000 1.288 219 Q HN 0.476 nan 8.270 nan 0.000 0.320 220 P HA -0.055 nan 4.420 nan 0.000 0.224 220 P C 0.485 177.785 177.300 -0.000 0.000 1.157 220 P CA 1.252 64.263 63.100 -0.149 0.000 0.799 220 P CB 0.129 31.861 31.700 0.054 0.000 0.809 221 V N -1.853 118.095 119.914 0.056 0.000 3.193 221 V HA 0.453 4.573 4.120 -0.000 0.000 0.320 221 V C 0.754 176.882 176.094 0.055 0.000 1.112 221 V CA -1.838 60.512 62.300 0.084 0.000 1.026 221 V CB 0.835 32.718 31.823 0.101 0.000 1.128 221 V HN -0.013 nan 8.190 nan 0.000 0.452 222 I N 0.136 120.742 120.570 0.060 0.000 2.815 222 I HA 0.418 4.588 4.170 -0.000 0.000 0.291 222 I C 1.667 177.807 176.117 0.038 0.000 1.209 222 I CA 0.392 61.720 61.300 0.046 0.000 1.431 222 I CB 0.305 38.331 38.000 0.042 0.000 1.351 222 I HN 0.921 nan 8.210 nan 0.000 0.585 223 A N 4.213 127.051 122.820 0.030 0.000 1.896 223 A HA -0.268 4.052 4.320 -0.000 0.000 0.220 223 A C 1.762 179.361 177.584 0.026 0.000 1.206 223 A CA 2.390 54.443 52.037 0.026 0.000 0.647 223 A CB -0.854 18.157 19.000 0.018 0.000 0.828 223 A HN 0.933 nan 8.150 nan 0.000 0.455 224 D N -0.009 120.407 120.400 0.025 0.000 2.309 224 D HA -0.053 4.587 4.640 -0.000 0.000 0.212 224 D C 0.191 176.508 176.300 0.029 0.000 0.968 224 D CA 0.792 54.808 54.000 0.026 0.000 0.882 224 D CB -0.253 40.562 40.800 0.025 0.000 0.918 224 D HN 0.350 nan 8.370 nan 0.000 0.503 225 D N 0.395 120.815 120.400 0.033 0.000 2.558 225 D HA 0.109 4.749 4.640 -0.000 0.000 0.221 225 D C 1.381 177.705 176.300 0.041 0.000 1.143 225 D CA -0.170 53.852 54.000 0.037 0.000 1.010 225 D CB -0.075 40.750 40.800 0.043 0.000 1.068 225 D HN 0.130 nan 8.370 nan 0.000 0.511 226 I N 0.897 121.488 120.570 0.035 0.000 2.439 226 I HA -0.185 3.984 4.170 -0.000 0.000 0.251 226 I C 1.791 177.934 176.117 0.044 0.000 1.139 226 I CA 0.525 61.846 61.300 0.035 0.000 1.438 226 I CB 0.169 38.185 38.000 0.026 0.000 1.085 226 I HN 0.203 nan 8.210 nan 0.000 0.427 227 D N 1.416 121.842 120.400 0.043 0.000 2.123 227 D HA -0.196 4.444 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 1.728 55.759 54.000 0.051 0.000 0.833 227 D CB 0.026 40.847 40.800 0.034 0.000 0.954 227 D HN 0.360 nan 8.370 nan 0.000 0.455 228 A N 0.882 123.747 122.820 0.076 0.000 1.908 228 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 228 A C 2.141 179.804 177.584 0.132 0.000 1.181 228 A CA 1.508 53.611 52.037 0.111 0.000 0.627 228 A CB -0.472 18.582 19.000 0.091 0.000 0.818 228 A HN 0.100 nan 8.150 nan 0.000 0.445 229 M N -0.019 119.637 119.600 0.093 0.000 2.080 229 M HA -0.079 4.401 4.480 -0.000 0.000 0.260 229 M C 2.257 178.600 176.300 0.072 0.000 1.068 229 M CA 1.666 57.012 55.300 0.077 0.000 1.109 229 M CB -0.680 31.951 32.600 0.052 0.000 1.342 229 M HN 0.418 nan 8.290 nan 0.000 0.405 230 A N -1.678 121.186 122.820 0.074 0.000 1.930 230 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 230 A C 2.268 179.899 177.584 0.079 0.000 1.175 230 A CA 1.862 53.937 52.037 0.064 0.000 0.627 230 A CB -1.220 17.817 19.000 0.061 0.000 0.815 230 A HN 0.721 nan 8.150 nan 0.000 0.443 231 H N -0.182 118.905 119.070 0.030 0.000 2.357 231 H HA -0.047 4.509 4.556 -0.000 0.000 0.301 231 H C 1.958 177.308 175.328 0.036 0.000 1.082 231 H CA 1.792 57.858 56.048 0.030 0.000 1.342 231 H CB -0.051 29.729 29.762 0.030 0.000 1.389 231 H HN 0.471 nan 8.280 nan 0.000 0.511 232 I N 0.486 121.055 120.570 -0.002 0.000 2.179 232 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 232 I C 2.927 179.015 176.117 -0.048 0.000 1.088 232 I CA 1.271 62.555 61.300 -0.027 0.000 1.357 232 I CB -0.322 37.724 38.000 0.075 0.000 1.051 232 I HN 0.165 nan 8.210 nan 0.000 0.409 233 R N 1.038 121.531 120.500 -0.012 0.000 2.159 233 R HA -0.180 4.159 4.340 -0.000 0.000 0.237 233 R C 2.388 178.667 176.300 -0.034 0.000 1.131 233 R CA 1.749 57.844 56.100 -0.007 0.000 0.982 233 R CB -0.163 30.141 30.300 0.008 0.000 0.868 233 R HN 0.477 nan 8.270 nan 0.000 0.453 234 S N -0.503 115.152 115.700 -0.074 0.000 2.481 234 S HA -0.019 4.451 4.470 -0.000 0.000 0.231 234 S C 1.175 175.717 174.600 -0.098 0.000 0.996 234 S CA 0.634 58.786 58.200 -0.079 0.000 0.942 234 S CB 0.194 63.341 63.200 -0.088 0.000 0.768 234 S HN 0.331 nan 8.310 nan 0.000 0.520 235 K N 0.667 120.988 120.400 -0.132 0.000 2.478 235 K HA 0.268 4.587 4.320 -0.000 0.000 0.205 235 K C -0.266 176.305 176.600 -0.048 0.000 1.033 235 K CA -0.030 56.196 56.287 -0.102 0.000 1.091 235 K CB 1.131 33.536 32.500 -0.159 0.000 0.844 235 K HN 0.303 nan 8.250 nan 0.000 0.507 236 T N 0.588 115.127 114.554 -0.025 0.000 2.900 236 T HA 0.134 4.484 4.350 -0.000 0.000 0.303 236 T C -1.078 173.632 174.700 0.017 0.000 1.142 236 T CA -0.680 61.423 62.100 0.006 0.000 1.007 236 T CB 1.521 70.404 68.868 0.026 0.000 1.156 236 T HN 0.196 nan 8.240 nan 0.000 0.490 237 D N 2.433 122.850 120.400 0.028 0.000 2.395 237 D HA 0.211 4.850 4.640 -0.000 0.000 0.213 237 D C 0.421 176.751 176.300 0.051 0.000 1.110 237 D CA -0.156 53.864 54.000 0.034 0.000 0.835 237 D CB -0.165 40.653 40.800 0.030 0.000 0.965 237 D HN 0.347 nan 8.370 nan 0.000 0.505 238 L N 1.091 122.352 121.223 0.063 0.000 2.331 238 L HA 0.361 4.701 4.340 -0.000 0.000 0.278 238 L C -2.110 174.821 176.870 0.102 0.000 1.106 238 L CA -1.956 52.938 54.840 0.089 0.000 0.824 238 L CB 0.976 43.096 42.059 0.101 0.000 1.142 238 L HN -0.249 nan 8.230 nan 0.000 0.443 239 P HA 0.118 nan 4.420 nan 0.000 0.266 239 P C -0.986 176.397 177.300 0.138 0.000 1.195 239 P CA 0.128 63.303 63.100 0.124 0.000 0.768 239 P CB 0.523 32.328 31.700 0.175 0.000 0.838 240 L N 3.118 124.378 121.223 0.062 0.000 2.346 240 L HA 0.611 4.951 4.340 -0.000 0.000 0.276 240 L C 0.076 176.923 176.870 -0.038 0.000 1.006 240 L CA -0.642 54.229 54.840 0.052 0.000 0.817 240 L CB 1.681 43.767 42.059 0.046 0.000 1.272 240 L HN 0.341 nan 8.230 nan 0.000 0.421 241 M N 3.988 123.565 119.600 -0.039 0.000 2.393 241 M HA 0.567 5.047 4.480 -0.000 0.000 0.316 241 M C -1.465 174.803 176.300 -0.054 0.000 1.087 241 M CA -0.440 54.779 55.300 -0.136 0.000 0.937 241 M CB 1.905 34.337 32.600 -0.279 0.000 1.668 241 M HN 0.488 nan 8.290 nan 0.000 0.438 242 I N 3.824 124.356 120.570 -0.064 0.000 2.359 242 I HA 0.235 4.405 4.170 -0.000 0.000 0.294 242 I C -0.203 175.897 176.117 -0.030 0.000 0.987 242 I CA -0.189 61.094 61.300 -0.030 0.000 1.225 242 I CB 1.558 39.544 38.000 -0.023 0.000 1.366 242 I HN 0.800 nan 8.210 nan 0.000 0.466 243 D N 3.124 123.521 120.400 -0.005 0.000 3.040 243 D HA 0.005 4.645 4.640 -0.000 0.000 0.221 243 D C 1.405 177.715 176.300 0.017 0.000 1.515 243 D CA 0.495 54.498 54.000 0.005 0.000 1.379 243 D CB 0.170 40.985 40.800 0.026 0.000 0.992 243 D HN 0.441 nan 8.370 nan 0.000 0.234 244 E N 0.090 120.312 120.200 0.037 0.000 2.219 244 E HA -0.004 4.346 4.350 -0.000 0.000 0.198 244 E C 1.788 178.402 176.600 0.023 0.000 0.998 244 E CA 1.208 57.632 56.400 0.040 0.000 0.818 244 E CB -0.421 29.313 29.700 0.057 0.000 0.741 244 E HN 0.418 nan 8.360 nan 0.000 0.477 245 G N -0.010 108.800 108.800 0.018 0.000 2.679 245 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.212 245 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.212 245 G C 0.178 175.082 174.900 0.007 0.000 1.137 245 G CA -0.028 45.080 45.100 0.014 0.000 0.787 245 G HN 0.145 nan 8.290 nan 0.000 0.534 246 L N -0.842 120.381 121.223 0.000 0.000 2.349 246 L HA 0.616 4.956 4.340 -0.000 0.000 0.278 246 L C 0.351 177.215 176.870 -0.010 0.000 0.996 246 L CA -0.632 54.202 54.840 -0.010 0.000 0.825 246 L CB 1.659 43.704 42.059 -0.022 0.000 1.243 246 L HN -0.033 nan 8.230 nan 0.000 0.412 247 K N 1.918 122.310 120.400 -0.013 0.000 2.524 247 K HA 0.350 4.670 4.320 -0.000 0.000 0.210 247 K C 0.237 176.819 176.600 -0.030 0.000 1.340 247 K CA 0.451 56.728 56.287 -0.016 0.000 0.880 247 K CB 0.548 33.042 32.500 -0.011 0.000 1.616 247 K HN 0.697 nan 8.250 nan 0.000 0.457 248 S N -0.390 115.290 115.700 -0.033 0.000 2.798 248 S HA 0.278 4.748 4.470 -0.000 0.000 0.312 248 S C 0.859 175.437 174.600 -0.037 0.000 1.122 248 S CA -0.661 57.513 58.200 -0.044 0.000 0.949 248 S CB 1.581 64.746 63.200 -0.058 0.000 1.235 248 S HN 0.021 nan 8.310 nan 0.000 0.552 249 S N 0.280 115.955 115.700 -0.042 0.000 2.440 249 S HA -0.097 4.373 4.470 -0.000 0.000 0.238 249 S C 1.862 176.453 174.600 -0.015 0.000 1.010 249 S CA 1.095 59.275 58.200 -0.033 0.000 0.972 249 S CB -0.593 62.585 63.200 -0.037 0.000 0.774 249 S HN 0.680 nan 8.310 nan 0.000 0.501 250 R N 1.649 122.145 120.500 -0.007 0.000 2.083 250 R HA -0.152 4.188 4.340 -0.000 0.000 0.237 250 R C 2.004 178.310 176.300 0.010 0.000 1.137 250 R CA 1.816 57.923 56.100 0.012 0.000 0.951 250 R CB -0.199 30.118 30.300 0.028 0.000 0.851 250 R HN 0.459 nan 8.270 nan 0.000 0.434 251 E N 0.279 120.481 120.200 0.004 0.000 2.230 251 E HA -0.171 4.178 4.350 -0.000 0.000 0.192 251 E C 1.869 178.467 176.600 -0.003 0.000 0.987 251 E CA 0.537 56.939 56.400 0.004 0.000 0.841 251 E CB -0.469 29.234 29.700 0.005 0.000 0.783 251 E HN 0.289 nan 8.360 nan 0.000 0.481 252 M N 2.048 121.641 119.600 -0.012 0.000 2.108 252 M HA -0.131 4.349 4.480 -0.000 0.000 0.261 252 M C 2.383 178.677 176.300 -0.011 0.000 1.066 252 M CA 1.685 56.975 55.300 -0.018 0.000 1.107 252 M CB -0.322 32.262 32.600 -0.027 0.000 1.356 252 M HN 0.030 nan 8.290 nan 0.000 0.406 253 R N -0.638 119.859 120.500 -0.006 0.000 2.083 253 R HA -0.230 4.110 4.340 -0.000 0.000 0.237 253 R C 2.391 178.692 176.300 0.003 0.000 1.137 253 R CA 2.226 58.325 56.100 -0.001 0.000 0.951 253 R CB -0.488 29.814 30.300 0.004 0.000 0.851 253 R HN 0.675 nan 8.270 nan 0.000 0.434 254 Q N 0.281 120.085 119.800 0.006 0.000 2.079 254 Q HA -0.142 4.198 4.340 -0.000 0.000 0.200 254 Q C 2.127 178.131 176.000 0.007 0.000 0.974 254 Q CA 1.693 57.501 55.803 0.009 0.000 0.840 254 Q CB -0.038 28.707 28.738 0.013 0.000 0.898 254 Q HN 0.461 nan 8.270 nan 0.000 0.430 255 I N 0.362 120.934 120.570 0.002 0.000 2.226 255 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 255 I C 2.140 178.255 176.117 -0.003 0.000 1.100 255 I CA 1.042 62.342 61.300 -0.001 0.000 1.374 255 I CB -0.203 37.791 38.000 -0.010 0.000 1.057 255 I HN 0.280 nan 8.210 nan 0.000 0.413 256 I N 0.487 121.054 120.570 -0.005 0.000 2.202 256 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 256 I C 2.603 178.720 176.117 0.000 0.000 1.091 256 I CA 1.170 62.467 61.300 -0.005 0.000 1.368 256 I CB -0.289 37.707 38.000 -0.007 0.000 1.058 256 I HN 0.125 nan 8.210 nan 0.000 0.410 257 K N 1.581 121.983 120.400 0.003 0.000 2.032 257 K HA -0.113 4.207 4.320 -0.000 0.000 0.209 257 K C 1.759 178.364 176.600 0.010 0.000 1.048 257 K CA 1.743 58.034 56.287 0.007 0.000 0.927 257 K CB -0.329 32.176 32.500 0.008 0.000 0.712 257 K HN 0.271 nan 8.250 nan 0.000 0.441 258 L N 0.531 121.761 121.223 0.012 0.000 2.592 258 L HA 0.159 4.498 4.340 -0.000 0.000 0.227 258 L C -0.228 176.652 176.870 0.016 0.000 1.127 258 L CA 0.117 54.967 54.840 0.017 0.000 0.884 258 L CB -0.355 41.718 42.059 0.023 0.000 1.065 258 L HN 0.258 nan 8.230 nan 0.000 0.457 259 E N -0.128 120.077 120.200 0.009 0.000 2.320 259 E HA -0.268 4.082 4.350 -0.000 0.000 0.234 259 E C 0.992 177.597 176.600 0.008 0.000 1.183 259 E CA 0.295 56.699 56.400 0.005 0.000 0.713 259 E CB -0.952 28.752 29.700 0.007 0.000 1.226 259 E HN 0.581 nan 8.360 nan 0.000 0.382 260 A N -0.221 122.605 122.820 0.008 0.000 2.208 260 A HA 0.478 4.798 4.320 -0.000 0.000 0.209 260 A C 0.810 178.397 177.584 0.005 0.000 1.161 260 A CA 1.062 53.108 52.037 0.014 0.000 0.782 260 A CB 0.475 19.486 19.000 0.019 0.000 0.816 260 A HN 0.584 nan 8.150 nan 0.000 0.477 261 A N -1.322 121.493 122.820 -0.009 0.000 2.612 261 A HA 0.544 4.864 4.320 -0.000 0.000 0.293 261 A C -0.437 177.123 177.584 -0.040 0.000 1.075 261 A CA -0.257 51.765 52.037 -0.024 0.000 0.680 261 A CB 0.441 19.418 19.000 -0.038 0.000 1.279 261 A HN -0.001 nan 8.150 nan 0.000 0.411 262 D N 0.397 120.764 120.400 -0.056 0.000 2.271 262 D HA 0.086 4.726 4.640 -0.000 0.000 0.206 262 D C 0.072 176.299 176.300 -0.123 0.000 0.967 262 D CA 1.222 55.181 54.000 -0.069 0.000 0.867 262 D CB 0.381 41.150 40.800 -0.053 0.000 0.960 262 D HN 0.626 nan 8.370 nan 0.000 0.509 263 K N 0.114 120.411 120.400 -0.171 0.000 2.556 263 K HA 0.519 4.839 4.320 -0.000 0.000 0.274 263 K C -0.781 175.697 176.600 -0.203 0.000 0.966 263 K CA -0.904 55.245 56.287 -0.231 0.000 0.865 263 K CB 2.639 34.892 32.500 -0.411 0.000 1.444 263 K HN -0.160 nan 8.250 nan 0.000 0.433 264 V N -1.618 118.188 119.914 -0.180 0.000 2.864 264 V HA 0.555 4.675 4.120 -0.000 0.000 0.314 264 V C -0.869 175.142 176.094 -0.139 0.000 1.073 264 V CA -0.871 61.349 62.300 -0.133 0.000 0.956 264 V CB 1.787 33.556 31.823 -0.091 0.000 1.023 264 V HN 0.866 nan 8.190 nan 0.000 0.435 265 N N 2.731 121.371 118.700 -0.100 0.000 2.546 265 N HA 0.467 5.207 4.740 -0.000 0.000 0.238 265 N C -0.808 174.663 175.510 -0.064 0.000 0.984 265 N CA -0.453 52.549 53.050 -0.081 0.000 0.935 265 N CB 0.548 39.008 38.487 -0.045 0.000 1.122 265 N HN 0.814 nan 8.380 nan 0.000 0.510 266 I N 2.655 123.180 120.570 -0.076 0.000 2.395 266 I HA 0.204 4.373 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 -0.168 61.091 61.300 -0.068 0.000 1.350 266 I CB 0.767 38.720 38.000 -0.078 0.000 1.409 266 I HN 0.140 nan 8.210 nan 0.000 0.507 267 K N 6.363 126.734 120.400 -0.049 0.000 2.471 267 K HA 0.394 4.714 4.320 -0.000 0.000 0.252 267 K C 0.509 177.092 176.600 -0.029 0.000 0.938 267 K CA -0.735 55.526 56.287 -0.044 0.000 0.796 267 K CB 2.504 34.989 32.500 -0.025 0.000 1.161 267 K HN 0.530 nan 8.250 nan 0.000 0.425 268 L N 1.676 122.882 121.223 -0.029 0.000 2.081 268 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 268 L C 1.842 178.723 176.870 0.019 0.000 1.080 268 L CA 1.347 56.186 54.840 -0.003 0.000 0.754 268 L CB -0.400 41.662 42.059 0.005 0.000 0.893 268 L HN 0.714 nan 8.230 nan 0.000 0.433 269 M N -0.435 119.175 119.600 0.016 0.000 2.460 269 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 269 M C 1.913 178.230 176.300 0.027 0.000 1.071 269 M CA 1.459 56.778 55.300 0.031 0.000 1.096 269 M CB -0.785 31.836 32.600 0.034 0.000 1.408 269 M HN 0.233 nan 8.290 nan 0.000 0.463 270 K N -0.567 119.841 120.400 0.013 0.000 2.323 270 K HA 0.021 4.341 4.320 -0.000 0.000 0.197 270 K C 1.817 178.414 176.600 -0.004 0.000 1.043 270 K CA 1.004 57.295 56.287 0.007 0.000 0.997 270 K CB 0.312 32.813 32.500 0.002 0.000 0.807 270 K HN 0.518 nan 8.250 nan 0.000 0.497 271 C N -2.334 116.963 119.300 -0.004 0.000 3.230 271 C HA 0.499 4.959 4.460 -0.000 0.000 0.300 271 C C 1.276 176.277 174.990 0.019 0.000 1.292 271 C CA -0.029 58.981 59.018 -0.013 0.000 1.707 271 C CB 0.027 27.746 27.740 -0.036 0.000 2.181 271 C HN 0.479 nan 8.230 nan 0.000 0.655 272 G N 0.044 108.878 108.800 0.057 0.000 2.151 272 G HA2 0.442 4.402 3.960 -0.000 0.000 0.156 272 G HA3 0.442 4.402 3.960 -0.000 0.000 0.156 272 G C 0.634 175.666 174.900 0.219 0.000 1.017 272 G CA 0.219 45.400 45.100 0.135 0.000 0.686 272 G HN 2.452 nan 8.290 nan 0.000 0.503 273 G N -1.258 107.624 108.800 0.136 0.000 2.483 273 G HA2 0.089 4.049 3.960 -0.000 0.000 0.521 273 G HA3 0.089 4.049 3.960 -0.000 0.000 0.521 273 G C 0.873 175.832 174.900 0.098 0.000 1.278 273 G CA -0.096 45.098 45.100 0.156 0.000 0.965 273 G HN 0.939 nan 8.290 nan 0.000 0.504 274 I N -0.507 120.111 120.570 0.080 0.000 2.118 274 I HA -0.215 3.955 4.170 -0.000 0.000 0.241 274 I C 2.420 178.524 176.117 -0.021 0.000 1.070 274 I CA 2.463 63.704 61.300 -0.097 0.000 1.327 274 I CB -0.383 37.308 38.000 -0.514 0.000 1.034 274 I HN 0.557 nan 8.210 nan 0.000 0.405 275 Y N 1.608 121.923 120.300 0.025 0.000 2.097 275 Y HA -0.222 4.328 4.550 -0.000 0.000 0.282 275 Y C -0.367 175.449 175.900 -0.140 0.000 1.152 275 Y CA 1.721 59.826 58.100 0.008 0.000 1.136 275 Y CB -1.131 37.376 38.460 0.080 0.000 0.975 275 Y HN 0.139 nan 8.280 nan 0.000 0.498 276 P HA -0.162 nan 4.420 nan 0.000 0.218 276 P C 1.136 178.324 177.300 -0.186 0.000 1.149 276 P CA 2.102 65.065 63.100 -0.228 0.000 0.817 276 P CB -0.194 31.424 31.700 -0.137 0.000 0.785 277 A N -0.554 122.188 122.820 -0.131 0.000 1.898 277 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 277 A C 2.305 179.776 177.584 -0.190 0.000 1.181 277 A CA 1.612 53.573 52.037 -0.128 0.000 0.620 277 A CB -1.681 17.265 19.000 -0.089 0.000 0.819 277 A HN 0.021 nan 8.150 nan 0.000 0.442 278 V N 0.218 119.989 119.914 -0.239 0.000 2.343 278 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 278 V C 2.443 178.201 176.094 -0.561 0.000 1.051 278 V CA 2.342 64.418 62.300 -0.374 0.000 1.036 278 V CB -0.647 30.984 31.823 -0.320 0.000 0.654 278 V HN 0.545 nan 8.190 nan 0.000 0.451 279 K N -0.291 119.845 120.400 -0.440 0.000 2.057 279 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 279 K C 2.113 178.590 176.600 -0.204 0.000 1.049 279 K CA 1.286 57.373 56.287 -0.335 0.000 0.931 279 K CB -0.289 32.026 32.500 -0.309 0.000 0.714 279 K HN 0.361 nan 8.250 nan 0.000 0.440 280 L N 0.463 121.577 121.223 -0.182 0.000 2.046 280 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 280 L C 2.587 179.399 176.870 -0.096 0.000 1.077 280 L CA 1.094 55.865 54.840 -0.114 0.000 0.747 280 L CB -0.574 41.423 42.059 -0.102 0.000 0.896 280 L HN 0.219 nan 8.230 nan 0.000 0.432 281 A N -0.682 122.055 122.820 -0.138 0.000 1.902 281 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 281 A C 1.990 179.582 177.584 0.014 0.000 1.181 281 A CA 1.611 53.597 52.037 -0.085 0.000 0.623 281 A CB -0.930 18.000 19.000 -0.116 0.000 0.818 281 A HN 0.505 nan 8.150 nan 0.000 0.443 282 H N -1.149 117.883 119.070 -0.064 0.000 2.389 282 H HA -0.103 4.453 4.556 -0.000 0.000 0.299 282 H C 2.408 177.704 175.328 -0.054 0.000 1.081 282 H CA 1.277 57.290 56.048 -0.058 0.000 1.345 282 H CB 0.087 29.811 29.762 -0.063 0.000 1.393 282 H HN 0.612 nan 8.280 nan 0.000 0.520 283 Q N 0.461 120.300 119.800 0.064 0.000 2.046 283 Q HA -0.079 4.261 4.340 -0.000 0.000 0.200 283 Q C 2.685 178.686 176.000 0.001 0.000 0.975 283 Q CA 1.056 56.869 55.803 0.017 0.000 0.836 283 Q CB -0.022 28.709 28.738 -0.011 0.000 0.896 283 Q HN 0.434 nan 8.270 nan 0.000 0.428 284 A N 1.124 123.937 122.820 -0.011 0.000 1.940 284 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 284 A C 1.912 179.486 177.584 -0.016 0.000 1.176 284 A CA 1.760 53.783 52.037 -0.023 0.000 0.631 284 A CB -0.578 18.399 19.000 -0.038 0.000 0.814 284 A HN 0.465 nan 8.150 nan 0.000 0.446 285 E N -0.637 119.562 120.200 -0.001 0.000 2.110 285 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 285 E C 1.974 178.566 176.600 -0.013 0.000 0.988 285 E CA 1.400 57.796 56.400 -0.006 0.000 0.804 285 E CB -0.228 29.477 29.700 0.007 0.000 0.745 285 E HN 0.684 nan 8.360 nan 0.000 0.458 286 M N -0.162 119.433 119.600 -0.009 0.000 2.279 286 M HA -0.113 4.367 4.480 -0.000 0.000 0.264 286 M C 1.621 177.913 176.300 -0.013 0.000 1.062 286 M CA 1.851 57.142 55.300 -0.014 0.000 1.099 286 M CB 0.066 32.660 32.600 -0.010 0.000 1.394 286 M HN 0.187 nan 8.290 nan 0.000 0.426 287 A N -0.570 122.242 122.820 -0.014 0.000 2.348 287 A HA 0.442 4.762 4.320 -0.000 0.000 0.224 287 A C 1.340 178.913 177.584 -0.017 0.000 1.227 287 A CA 0.481 52.510 52.037 -0.014 0.000 0.885 287 A CB -0.485 18.506 19.000 -0.015 0.000 0.933 287 A HN 0.767 nan 8.150 nan 0.000 0.506 288 G N -0.077 108.711 108.800 -0.019 0.000 2.221 288 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.265 288 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.265 288 G C -0.017 174.865 174.900 -0.030 0.000 1.041 288 G CA 0.409 45.496 45.100 -0.022 0.000 0.807 288 G HN 0.500 nan 8.290 nan 0.000 0.502 289 I N 0.916 121.464 120.570 -0.036 0.000 2.315 289 I HA 0.226 4.396 4.170 -0.000 0.000 0.291 289 I C 0.786 176.863 176.117 -0.066 0.000 1.006 289 I CA -0.563 60.705 61.300 -0.053 0.000 1.265 289 I CB 0.864 38.832 38.000 -0.053 0.000 1.387 289 I HN 0.165 nan 8.210 nan 0.000 0.475 290 E N 4.932 125.079 120.200 -0.088 0.000 2.373 290 E HA 0.209 4.559 4.350 -0.000 0.000 0.267 290 E C -0.932 175.588 176.600 -0.132 0.000 1.032 290 E CA -0.305 56.035 56.400 -0.100 0.000 0.889 290 E CB 1.079 30.706 29.700 -0.121 0.000 0.984 290 E HN 0.547 nan 8.360 nan 0.000 0.425 291 C N 1.888 121.125 119.300 -0.106 0.000 2.529 291 C HA 0.471 4.931 4.460 -0.000 0.000 0.329 291 C C -0.112 174.803 174.990 -0.124 0.000 1.194 291 C CA -0.638 58.311 59.018 -0.115 0.000 1.779 291 C CB 1.256 28.949 27.740 -0.078 0.000 2.322 291 C HN 0.754 nan 8.230 nan 0.000 0.500 292 Q N 0.690 120.406 119.800 -0.140 0.000 2.372 292 Q HA 0.695 5.035 4.340 -0.000 0.000 0.273 292 Q C -1.933 173.990 176.000 -0.128 0.000 1.078 292 Q CA -0.362 55.360 55.803 -0.135 0.000 0.806 292 Q CB 1.984 30.643 28.738 -0.132 0.000 1.332 292 Q HN 0.618 nan 8.270 nan 0.000 0.435 293 V N 3.393 123.211 119.914 -0.160 0.000 2.328 293 V HA 0.610 4.730 4.120 -0.000 0.000 0.278 293 V C 0.460 176.452 176.094 -0.170 0.000 1.021 293 V CA -0.040 62.164 62.300 -0.160 0.000 0.838 293 V CB 0.718 32.430 31.823 -0.185 0.000 0.999 293 V HN 0.871 nan 8.190 nan 0.000 0.447 294 G N 3.459 112.185 108.800 -0.123 0.000 2.857 294 G HA2 0.876 4.836 3.960 -0.000 0.000 0.217 294 G HA3 0.876 4.836 3.960 -0.000 0.000 0.217 294 G C -0.291 174.538 174.900 -0.118 0.000 1.357 294 G CA 0.150 45.186 45.100 -0.106 0.000 1.033 294 G HN 1.055 nan 8.290 nan 0.000 0.571 295 S N -2.212 113.435 115.700 -0.090 0.000 2.663 295 S HA 0.529 4.999 4.470 -0.000 0.000 0.264 295 S C -0.895 173.664 174.600 -0.067 0.000 1.112 295 S CA -0.817 57.332 58.200 -0.086 0.000 0.823 295 S CB 0.959 64.084 63.200 -0.126 0.000 1.111 295 S HN 0.502 nan 8.310 nan 0.000 0.476 296 M N 1.294 120.859 119.600 -0.059 0.000 2.369 296 M HA 0.471 4.951 4.480 -0.000 0.000 0.291 296 M C -0.050 176.168 176.300 -0.137 0.000 1.178 296 M CA -0.986 54.273 55.300 -0.068 0.000 0.996 296 M CB 0.553 33.137 32.600 -0.027 0.000 1.472 296 M HN 0.616 nan 8.290 nan 0.000 0.496 297 V N 2.036 121.815 119.914 -0.224 0.000 2.390 297 V HA 0.022 4.142 4.120 -0.000 0.000 0.260 297 V C 0.259 176.369 176.094 0.027 0.000 1.043 297 V CA 0.105 62.244 62.300 -0.268 0.000 1.047 297 V CB -1.367 30.182 31.823 -0.456 0.000 1.066 297 V HN 0.676 nan 8.190 nan 0.000 0.481 298 E N 2.782 123.014 120.200 0.053 0.000 2.263 298 E HA 0.559 4.909 4.350 -0.000 0.000 0.264 298 E C 0.041 176.847 176.600 0.343 0.000 0.923 298 E CA -0.623 55.882 56.400 0.175 0.000 0.802 298 E CB 1.780 31.519 29.700 0.064 0.000 1.228 298 E HN 0.689 nan 8.360 nan 0.000 0.417 299 S N 0.442 116.291 115.700 0.248 0.000 2.633 299 S HA 0.059 4.529 4.470 -0.000 0.000 0.257 299 S C 1.004 175.715 174.600 0.185 0.000 1.265 299 S CA -0.166 58.161 58.200 0.212 0.000 0.980 299 S CB 1.034 64.245 63.200 0.020 0.000 1.017 299 S HN 0.416 nan 8.310 nan 0.000 0.577 300 S N -0.060 115.738 115.700 0.164 0.000 2.400 300 S HA -0.096 4.373 4.470 -0.000 0.000 0.232 300 S C 1.858 176.538 174.600 0.134 0.000 1.025 300 S CA 1.163 59.466 58.200 0.172 0.000 0.993 300 S CB -0.755 62.528 63.200 0.138 0.000 0.808 300 S HN 0.527 nan 8.310 nan 0.000 0.478 301 V N 1.834 121.803 119.914 0.091 0.000 2.223 301 V HA -0.228 3.892 4.120 -0.000 0.000 0.244 301 V C 2.654 178.810 176.094 0.102 0.000 1.045 301 V CA 1.946 64.300 62.300 0.090 0.000 1.000 301 V CB -1.237 30.637 31.823 0.085 0.000 0.635 301 V HN 0.559 nan 8.190 nan 0.000 0.445 302 A N -0.619 122.255 122.820 0.090 0.000 1.929 302 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 302 A C 2.453 180.061 177.584 0.040 0.000 1.176 302 A CA 1.912 53.989 52.037 0.067 0.000 0.628 302 A CB -0.654 18.379 19.000 0.055 0.000 0.816 302 A HN 0.500 nan 8.150 nan 0.000 0.444 303 S N 0.696 116.429 115.700 0.055 0.000 2.359 303 S HA -0.196 4.274 4.470 -0.000 0.000 0.224 303 S C 2.397 177.031 174.600 0.056 0.000 1.035 303 S CA 1.882 60.081 58.200 -0.001 0.000 1.018 303 S CB -0.471 62.813 63.200 0.140 0.000 0.876 303 S HN 0.908 nan 8.310 nan 0.000 0.448 304 S N 2.418 118.249 115.700 0.218 0.000 2.383 304 S HA 0.022 4.492 4.470 -0.000 0.000 0.227 304 S C 2.089 176.898 174.600 0.348 0.000 1.026 304 S CA 0.893 59.304 58.200 0.350 0.000 0.981 304 S CB -0.710 62.669 63.200 0.298 0.000 0.818 304 S HN 0.507 nan 8.310 nan 0.000 0.472 305 A N 2.216 125.149 122.820 0.189 0.000 1.892 305 A HA 0.093 4.413 4.320 -0.000 0.000 0.218 305 A C 2.443 180.091 177.584 0.106 0.000 1.188 305 A CA 1.881 53.992 52.037 0.123 0.000 0.631 305 A CB -1.883 17.155 19.000 0.065 0.000 0.822 305 A HN 0.683 nan 8.150 nan 0.000 0.447 306 G N -1.584 107.219 108.800 0.004 0.000 2.418 306 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 306 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 306 G C 1.462 176.344 174.900 -0.030 0.000 1.158 306 G CA 1.000 46.043 45.100 -0.095 0.000 0.771 306 G HN 0.496 nan 8.290 nan 0.000 0.545 307 F N 0.120 120.138 119.950 0.114 0.000 2.171 307 F HA -0.040 4.487 4.527 -0.000 0.000 0.300 307 F C 2.796 178.758 175.800 0.271 0.000 1.090 307 F CA 1.087 59.195 58.000 0.180 0.000 1.293 307 F CB -0.118 38.926 39.000 0.074 0.000 1.013 307 F HN 0.150 nan 8.300 nan 0.000 0.486 308 H N -0.661 118.623 119.070 0.357 0.000 2.387 308 H HA -0.142 4.413 4.556 -0.000 0.000 0.299 308 H C 2.412 177.919 175.328 0.299 0.000 1.099 308 H CA 1.795 58.044 56.048 0.336 0.000 1.315 308 H CB -0.347 29.526 29.762 0.185 0.000 1.380 308 H HN 0.132 nan 8.280 nan 0.000 0.513 309 V N 0.983 121.061 119.914 0.274 0.000 2.307 309 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 309 V C 2.868 179.086 176.094 0.206 0.000 1.045 309 V CA 1.489 63.881 62.300 0.154 0.000 1.024 309 V CB -1.015 30.827 31.823 0.031 0.000 0.651 309 V HN 0.452 nan 8.190 nan 0.000 0.449 310 A N -0.234 122.712 122.820 0.211 0.000 1.873 310 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 310 A C 2.017 179.872 177.584 0.452 0.000 1.193 310 A CA 2.112 54.253 52.037 0.173 0.000 0.629 310 A CB -0.889 18.056 19.000 -0.093 0.000 0.826 310 A HN 0.472 nan 8.150 nan 0.000 0.447 311 F N 0.982 121.186 119.950 0.424 0.000 2.408 311 F HA -0.114 4.413 4.527 -0.000 0.000 0.300 311 F C 2.674 178.664 175.800 0.317 0.000 1.090 311 F CA 1.445 59.716 58.000 0.452 0.000 1.427 311 F CB -0.096 38.976 39.000 0.120 0.000 1.070 311 F HN 0.355 nan 8.300 nan 0.000 0.549 312 S N -1.783 114.166 115.700 0.415 0.000 2.575 312 S HA 0.114 4.584 4.470 -0.000 0.000 0.215 312 S C 0.466 175.181 174.600 0.192 0.000 0.966 312 S CA -0.175 58.197 58.200 0.286 0.000 0.911 312 S CB -0.010 63.359 63.200 0.282 0.000 0.780 312 S HN -0.080 nan 8.310 nan 0.000 0.514 313 K N 1.752 122.267 120.400 0.192 0.000 2.463 313 K HA 0.317 4.637 4.320 -0.000 0.000 0.255 313 K C 0.194 176.739 176.600 -0.090 0.000 0.942 313 K CA -0.382 55.920 56.287 0.025 0.000 0.814 313 K CB 1.928 34.468 32.500 0.067 0.000 1.122 313 K HN 0.141 nan 8.250 nan 0.000 0.425 314 K N 2.126 122.180 120.400 -0.577 0.000 2.147 314 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 314 K C 1.481 177.993 176.600 -0.147 0.000 1.049 314 K CA 1.170 57.020 56.287 -0.727 0.000 0.936 314 K CB 0.074 31.988 32.500 -0.977 0.000 0.722 314 K HN 0.433 nan 8.250 nan 0.000 0.446 315 I N 1.347 121.864 120.570 -0.088 0.000 2.830 315 I HA -0.026 4.144 4.170 -0.000 0.000 0.263 315 I C 0.190 176.323 176.117 0.027 0.000 1.230 315 I CA 0.650 61.937 61.300 -0.021 0.000 1.480 315 I CB 0.133 38.120 38.000 -0.021 0.000 1.095 315 I HN 0.088 nan 8.210 nan 0.000 0.455 316 I N 1.123 121.749 120.570 0.093 0.000 2.291 316 I HA 0.085 4.255 4.170 -0.000 0.000 0.292 316 I C 1.216 177.446 176.117 0.188 0.000 1.064 316 I CA 0.084 61.439 61.300 0.092 0.000 1.269 316 I CB 0.600 38.649 38.000 0.080 0.000 1.418 316 I HN 0.170 nan 8.210 nan 0.000 0.485 317 T N 0.093 114.717 114.554 0.117 0.000 3.023 317 T HA 0.182 4.532 4.350 -0.000 0.000 0.253 317 T C 0.497 175.330 174.700 0.221 0.000 1.038 317 T CA -0.132 62.078 62.100 0.183 0.000 0.962 317 T CB 0.104 69.039 68.868 0.112 0.000 1.018 317 T HN 0.562 nan 8.240 nan 0.000 0.521 318 S N -0.444 115.305 115.700 0.081 0.000 2.607 318 S HA 0.787 5.257 4.470 -0.000 0.000 0.273 318 S C -1.490 172.986 174.600 -0.206 0.000 1.148 318 S CA -0.774 57.461 58.200 0.057 0.000 0.833 318 S CB 2.129 65.444 63.200 0.192 0.000 1.130 318 S HN 0.256 nan 8.310 nan 0.000 0.470 319 V N 0.444 120.234 119.914 -0.207 0.000 2.925 319 V HA 0.655 4.775 4.120 -0.000 0.000 0.311 319 V C -1.525 174.529 176.094 -0.066 0.000 1.104 319 V CA -0.462 61.679 62.300 -0.264 0.000 0.954 319 V CB 2.161 33.694 31.823 -0.483 0.000 1.022 319 V HN 1.082 nan 8.190 nan 0.000 0.427 320 E N 5.746 125.889 120.200 -0.095 0.000 3.352 320 E HA 0.359 4.708 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 -0.201 56.170 56.400 -0.048 0.000 0.949 320 E CB 1.327 31.015 29.700 -0.020 0.000 1.373 320 E HN 0.387 nan 8.360 nan 0.000 0.392 321 L N 1.382 122.537 121.223 -0.114 0.000 2.401 321 L HA 0.312 4.652 4.340 -0.000 0.000 0.263 321 L C 0.664 177.589 176.870 0.092 0.000 1.004 321 L CA -0.188 54.547 54.840 -0.174 0.000 0.881 321 L CB 1.389 43.090 42.059 -0.598 0.000 1.219 321 L HN 0.205 nan 8.230 nan 0.000 0.441 322 T N -3.232 111.304 114.554 -0.031 0.000 3.288 322 T HA 0.177 4.527 4.350 -0.000 0.000 0.293 322 T C 1.453 175.976 174.700 -0.295 0.000 1.008 322 T CA 0.262 62.306 62.100 -0.093 0.000 0.929 322 T CB 0.748 69.545 68.868 -0.119 0.000 1.152 322 T HN 0.484 nan 8.240 nan 0.000 0.517 323 G N 2.981 111.609 108.800 -0.288 0.000 2.446 323 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.217 323 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.217 323 G C -0.638 173.910 174.900 -0.587 0.000 1.168 323 G CA 0.688 45.452 45.100 -0.561 0.000 0.771 323 G HN 0.447 nan 8.290 nan 0.000 0.551 324 P HA -0.065 nan 4.420 nan 0.000 0.218 324 P C 1.393 178.593 177.300 -0.167 0.000 1.146 324 P CA 0.940 64.054 63.100 0.022 0.000 0.813 324 P CB -0.157 31.655 31.700 0.186 0.000 0.778 325 L N -5.065 115.926 121.223 -0.387 0.000 2.791 325 L HA 0.380 4.720 4.340 -0.000 0.000 0.239 325 L C 1.136 177.843 176.870 -0.271 0.000 1.203 325 L CA 0.740 55.385 54.840 -0.325 0.000 1.002 325 L CB -0.403 41.395 42.059 -0.435 0.000 1.295 325 L HN -0.281 nan 8.230 nan 0.000 0.504 326 K N -0.774 119.380 120.400 -0.410 0.000 2.425 326 K HA 0.319 4.639 4.320 -0.000 0.000 0.201 326 K C -0.275 176.151 176.600 -0.291 0.000 1.128 326 K CA -0.151 55.897 56.287 -0.398 0.000 1.000 326 K CB 0.480 32.623 32.500 -0.596 0.000 0.961 326 K HN 0.105 nan 8.250 nan 0.000 0.555 327 F N 0.930 120.832 119.950 -0.079 0.000 2.370 327 F HA 0.079 4.606 4.527 -0.000 0.000 0.324 327 F C 1.906 177.683 175.800 -0.039 0.000 1.116 327 F CA -0.536 57.429 58.000 -0.058 0.000 1.123 327 F CB 0.940 39.904 39.000 -0.060 0.000 1.238 327 F HN -0.067 nan 8.300 nan 0.000 0.536 328 T N -2.514 112.153 114.554 0.189 0.000 3.044 328 T HA 0.265 4.615 4.350 -0.000 0.000 0.250 328 T C 0.247 174.988 174.700 0.069 0.000 1.081 328 T CA 0.142 62.298 62.100 0.093 0.000 1.040 328 T CB -0.155 68.750 68.868 0.063 0.000 0.962 328 T HN 0.435 nan 8.240 nan 0.000 0.506 329 K N 0.977 121.419 120.400 0.070 0.000 2.525 329 K HA 0.508 4.828 4.320 -0.000 0.000 0.254 329 K C -2.032 174.560 176.600 -0.014 0.000 0.934 329 K CA -0.745 55.549 56.287 0.011 0.000 0.802 329 K CB 2.209 34.690 32.500 -0.033 0.000 1.295 329 K HN 0.004 nan 8.250 nan 0.000 0.433 330 D N 2.337 122.735 120.400 -0.004 0.000 2.738 330 D HA 0.271 4.911 4.640 -0.000 0.000 0.237 330 D C 0.609 176.879 176.300 -0.049 0.000 1.123 330 D CA -0.711 53.283 54.000 -0.010 0.000 0.856 330 D CB 1.650 42.502 40.800 0.086 0.000 1.552 330 D HN 0.581 nan 8.370 nan 0.000 0.480 331 I N -0.086 120.433 120.570 -0.084 0.000 3.428 331 I HA 0.393 4.563 4.170 -0.000 0.000 0.286 331 I C 0.792 176.840 176.117 -0.115 0.000 1.287 331 I CA -0.069 61.163 61.300 -0.114 0.000 1.396 331 I CB 0.221 38.132 38.000 -0.149 0.000 1.062 331 I HN 0.179 nan 8.210 nan 0.000 0.471 332 G N 1.888 110.654 108.800 -0.056 0.000 2.816 332 G HA2 0.406 4.366 3.960 -0.000 0.000 0.288 332 G HA3 0.406 4.366 3.960 -0.000 0.000 0.288 332 G C -0.682 174.231 174.900 0.021 0.000 1.334 332 G CA -0.597 44.479 45.100 -0.040 0.000 0.978 332 G HN 0.328 nan 8.290 nan 0.000 0.493 333 N N 0.048 118.771 118.700 0.038 0.000 2.599 333 N HA 0.140 4.880 4.740 -0.000 0.000 0.309 333 N C -0.581 175.006 175.510 0.127 0.000 1.743 333 N CA -0.547 52.550 53.050 0.078 0.000 0.918 333 N CB 0.726 39.238 38.487 0.042 0.000 1.339 333 N HN 0.321 nan 8.380 nan 0.000 0.493 334 L N 1.865 123.188 121.223 0.167 0.000 2.462 334 L HA 0.202 4.542 4.340 -0.000 0.000 0.272 334 L C -0.121 176.902 176.870 0.254 0.000 1.166 334 L CA 0.123 55.073 54.840 0.182 0.000 0.880 334 L CB -0.042 42.157 42.059 0.234 0.000 1.142 334 L HN 0.415 nan 8.230 nan 0.000 0.473 335 H N 4.312 123.421 119.070 0.064 0.000 2.517 335 H HA 0.393 4.949 4.556 -0.000 0.000 0.317 335 H C -1.486 173.869 175.328 0.046 0.000 1.080 335 H CA -0.129 55.978 56.048 0.098 0.000 1.301 335 H CB 0.399 30.181 29.762 0.034 0.000 1.425 335 H HN 0.553 nan 8.280 nan 0.000 0.471 336 Y N 2.995 122.921 120.300 -0.624 0.000 2.341 336 Y HA 0.191 4.741 4.550 -0.000 0.000 0.337 336 Y C 0.267 175.778 175.900 -0.648 0.000 1.014 336 Y CA -0.802 57.009 58.100 -0.481 0.000 1.111 336 Y CB 1.369 39.714 38.460 -0.192 0.000 1.194 336 Y HN 0.681 nan 8.280 nan 0.000 0.462 337 D N 3.247 123.506 120.400 -0.236 0.000 3.139 337 D HA 0.137 4.777 4.640 -0.000 0.000 0.268 337 D C -0.316 176.019 176.300 0.057 0.000 1.322 337 D CA 0.037 53.999 54.000 -0.064 0.000 0.940 337 D CB 0.457 41.271 40.800 0.024 0.000 1.050 337 D HN 0.241 nan 8.370 nan 0.000 0.503 338 V N 3.187 123.105 119.914 0.007 0.000 2.780 338 V HA -0.092 4.028 4.120 -0.000 0.000 0.301 338 V C -1.159 174.867 176.094 -0.114 0.000 1.168 338 V CA -0.122 62.120 62.300 -0.097 0.000 1.305 338 V CB -0.040 31.681 31.823 -0.170 0.000 0.858 338 V HN 0.298 nan 8.190 nan 0.000 0.502 339 P HA 0.365 nan 4.420 nan 0.000 0.220 339 P C -0.796 176.112 177.300 -0.654 0.000 1.793 339 P CA 0.068 62.824 63.100 -0.574 0.000 0.917 339 P CB -0.198 31.020 31.700 -0.805 0.000 1.755 340 F N 0.089 120.002 119.950 -0.061 0.000 2.643 340 F HA 0.496 5.023 4.527 -0.000 0.000 0.314 340 F C 0.016 175.785 175.800 -0.051 0.000 1.096 340 F CA -1.269 56.718 58.000 -0.021 0.000 0.953 340 F CB 1.252 40.232 39.000 -0.033 0.000 1.345 340 F HN -0.306 nan 8.300 nan 0.000 0.468 341 I N 1.063 121.719 120.570 0.144 0.000 2.545 341 I HA 0.678 4.848 4.170 -0.000 0.000 0.292 341 I C -0.961 175.191 176.117 0.059 0.000 1.040 341 I CA -0.881 60.330 61.300 -0.148 0.000 1.068 341 I CB 2.136 39.787 38.000 -0.582 0.000 1.251 341 I HN 0.431 nan 8.210 nan 0.000 0.424 342 R N 5.090 125.529 120.500 -0.102 0.000 2.621 342 R HA 0.716 5.056 4.340 -0.000 0.000 0.284 342 R C -1.420 174.677 176.300 -0.338 0.000 0.998 342 R CA -0.924 55.147 56.100 -0.048 0.000 0.895 342 R CB 2.457 32.746 30.300 -0.018 0.000 1.195 342 R HN 0.489 nan 8.270 nan 0.000 0.450 343 L N 2.870 123.731 121.223 -0.603 0.000 2.357 343 L HA 0.339 4.679 4.340 -0.000 0.000 0.273 343 L C 0.910 177.661 176.870 -0.198 0.000 1.080 343 L CA -0.620 53.897 54.840 -0.538 0.000 0.803 343 L CB 1.080 42.637 42.059 -0.837 0.000 1.174 343 L HN 0.767 nan 8.230 nan 0.000 0.443 344 N N 0.720 119.367 118.700 -0.088 0.000 2.374 344 N HA 0.028 4.767 4.740 -0.000 0.000 0.284 344 N C -0.100 175.451 175.510 0.068 0.000 1.280 344 N CA -0.620 52.427 53.050 -0.005 0.000 0.963 344 N CB 0.865 39.354 38.487 0.004 0.000 1.141 344 N HN 0.519 nan 8.380 nan 0.000 0.565 345 E N -1.019 119.218 120.200 0.061 0.000 2.501 345 E HA 0.157 4.506 4.350 -0.000 0.000 0.200 345 E C -0.669 175.945 176.600 0.022 0.000 1.016 345 E CA -0.218 56.228 56.400 0.077 0.000 0.921 345 E CB 0.208 29.950 29.700 0.070 0.000 1.034 345 E HN 0.364 nan 8.360 nan 0.000 0.468 346 K N 1.989 122.399 120.400 0.017 0.000 2.319 346 K HA 0.134 4.454 4.320 -0.000 0.000 0.265 346 K C -2.262 174.326 176.600 -0.020 0.000 1.000 346 K CA -1.597 54.692 56.287 0.003 0.000 0.943 346 K CB 0.212 32.720 32.500 0.012 0.000 0.950 346 K HN 0.051 nan 8.250 nan 0.000 0.485 347 P HA -0.061 nan 4.420 nan 0.000 0.269 347 P C 0.579 177.851 177.300 -0.046 0.000 1.215 347 P CA 0.382 63.458 63.100 -0.040 0.000 0.780 347 P CB 0.655 32.343 31.700 -0.020 0.000 0.898 348 G N 1.802 110.557 108.800 -0.076 0.000 2.574 348 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.286 348 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.286 348 G C 0.863 175.652 174.900 -0.185 0.000 1.212 348 G CA 0.330 45.376 45.100 -0.090 0.000 0.979 348 G HN 0.487 nan 8.290 nan 0.000 0.557 349 L N 2.337 123.494 121.223 -0.111 0.000 2.551 349 L HA 0.294 4.634 4.340 -0.000 0.000 0.228 349 L C 2.399 179.315 176.870 0.077 0.000 1.153 349 L CA 1.017 55.804 54.840 -0.089 0.000 0.851 349 L CB -0.709 41.359 42.059 0.014 0.000 0.959 349 L HN 1.955 nan 8.230 nan 0.000 0.451 350 G N 0.700 109.525 108.800 0.041 0.000 2.225 350 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.267 350 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.267 350 G C 0.124 175.055 174.900 0.051 0.000 1.024 350 G CA 0.150 45.284 45.100 0.057 0.000 0.784 350 G HN 0.195 nan 8.290 nan 0.000 0.507 351 I N -0.922 119.670 120.570 0.037 0.000 2.957 351 I HA 0.649 4.819 4.170 -0.000 0.000 0.310 351 I C -0.120 175.984 176.117 -0.022 0.000 1.063 351 I CA -1.462 59.848 61.300 0.018 0.000 1.033 351 I CB 2.061 40.076 38.000 0.025 0.000 1.230 351 I HN 0.048 nan 8.210 nan 0.000 0.447 352 E N 3.033 123.206 120.200 -0.045 0.000 2.210 352 E HA 0.505 4.854 4.350 -0.000 0.000 0.266 352 E C -0.894 175.617 176.600 -0.147 0.000 0.883 352 E CA -0.464 55.888 56.400 -0.080 0.000 0.761 352 E CB 1.934 31.605 29.700 -0.048 0.000 1.156 352 E HN 0.180 nan 8.360 nan 0.000 0.412 353 I N 2.684 123.101 120.570 -0.255 0.000 2.331 353 I HA 0.190 4.359 4.170 -0.000 0.000 0.292 353 I C 0.133 176.117 176.117 -0.222 0.000 0.998 353 I CA -0.633 60.454 61.300 -0.355 0.000 1.267 353 I CB 0.937 38.456 38.000 -0.801 0.000 1.386 353 I HN 0.466 nan 8.210 nan 0.000 0.476 354 N N 6.523 125.121 118.700 -0.171 0.000 2.482 354 N HA 0.012 4.752 4.740 -0.000 0.000 0.242 354 N C 1.014 176.448 175.510 -0.127 0.000 1.100 354 N CA -0.020 52.960 53.050 -0.116 0.000 0.946 354 N CB 0.804 39.241 38.487 -0.084 0.000 1.227 354 N HN 0.370 nan 8.380 nan 0.000 0.508 355 E N 2.317 122.451 120.200 -0.111 0.000 2.114 355 E HA -0.220 4.130 4.350 -0.000 0.000 0.199 355 E C 0.573 177.118 176.600 -0.091 0.000 1.008 355 E CA 1.387 57.724 56.400 -0.104 0.000 0.810 355 E CB 0.188 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 -0.203 120.158 120.400 -0.065 0.000 2.117 356 D HA -0.103 4.536 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 1.499 55.469 54.000 -0.049 0.000 0.829 356 D CB -0.304 40.476 40.800 -0.034 0.000 0.961 356 D HN 0.195 nan 8.370 nan 0.000 0.460 357 T N 1.652 116.164 114.554 -0.070 0.000 2.777 357 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 357 T C 1.990 176.632 174.700 -0.097 0.000 1.040 357 T CA 0.395 62.450 62.100 -0.074 0.000 1.141 357 T CB -0.311 68.512 68.868 -0.075 0.000 0.868 357 T HN 0.022 nan 8.240 nan 0.000 0.444 358 L N 1.341 122.483 121.223 -0.135 0.000 1.989 358 L HA -0.098 4.241 4.340 -0.000 0.000 0.211 358 L C 2.506 179.292 176.870 -0.139 0.000 1.071 358 L CA 1.901 56.631 54.840 -0.183 0.000 0.749 358 L CB -0.889 40.990 42.059 -0.300 0.000 0.890 358 L HN 0.063 nan 8.230 nan 0.000 0.431 359 Q N 0.155 119.890 119.800 -0.108 0.000 2.135 359 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 359 Q C 2.093 178.088 176.000 -0.009 0.000 0.981 359 Q CA 2.152 57.933 55.803 -0.036 0.000 0.856 359 Q CB -0.279 28.450 28.738 -0.016 0.000 0.902 359 Q HN 0.827 nan 8.270 nan 0.000 0.425 360 E N -1.109 119.077 120.200 -0.024 0.000 2.274 360 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 360 E C 1.463 178.054 176.600 -0.014 0.000 0.996 360 E CA 0.689 57.081 56.400 -0.012 0.000 0.840 360 E CB -0.177 29.512 29.700 -0.017 0.000 0.772 360 E HN 0.376 nan 8.360 nan 0.000 0.491 361 L N 1.124 122.328 121.223 -0.033 0.000 2.529 361 L HA 0.122 4.462 4.340 -0.000 0.000 0.223 361 L C 0.600 177.466 176.870 -0.007 0.000 1.113 361 L CA 0.027 54.844 54.840 -0.039 0.000 0.861 361 L CB 0.117 42.127 42.059 -0.082 0.000 1.012 361 L HN 0.003 nan 8.230 nan 0.000 0.461 362 T N 0.204 114.768 114.554 0.016 0.000 2.853 362 T HA 0.062 4.412 4.350 -0.000 0.000 0.298 362 T C 1.234 175.963 174.700 0.049 0.000 0.978 362 T CA -0.111 62.017 62.100 0.047 0.000 1.152 362 T CB 2.120 71.058 68.868 0.116 0.000 0.914 362 T HN -0.136 nan 8.240 nan 0.000 0.539 363 V N 3.402 123.331 119.914 0.024 0.000 2.825 363 V HA 0.264 4.384 4.120 -0.000 0.000 0.246 363 V C 0.149 176.337 176.094 0.156 0.000 1.068 363 V CA 0.835 63.205 62.300 0.117 0.000 1.088 363 V CB -0.552 31.446 31.823 0.293 0.000 0.733 363 V HN 0.918 nan 8.190 nan 0.000 0.468 364 F N -0.602 119.315 119.950 -0.055 0.000 2.719 364 F HA 0.737 5.264 4.527 -0.000 0.000 0.309 364 F C -1.037 174.662 175.800 -0.169 0.000 1.138 364 F CA -1.322 56.589 58.000 -0.150 0.000 0.943 364 F CB 1.173 40.004 39.000 -0.282 0.000 1.304 364 F HN 0.109 nan 8.300 nan 0.000 0.445 365 Q N 0.369 120.261 119.800 0.154 0.000 2.685 365 Q HA 0.747 5.087 4.340 -0.000 0.000 0.301 365 Q C -2.358 173.772 176.000 0.216 0.000 0.924 365 Q CA -1.056 54.829 55.803 0.137 0.000 0.755 365 Q CB 3.325 32.074 28.738 0.019 0.000 1.470 365 Q HN 0.729 nan 8.270 nan 0.000 0.434 366 D N -0.406 120.065 120.400 0.119 0.000 2.671 366 D HA 0.574 5.213 4.640 -0.000 0.000 0.273 366 D C -1.271 174.950 176.300 -0.131 0.000 1.264 366 D CA -0.385 53.631 54.000 0.026 0.000 0.788 366 D CB 2.163 42.995 40.800 0.053 0.000 1.324 366 D HN 0.553 nan 8.370 nan 0.000 0.424 367 I N 0.748 121.222 120.570 -0.161 0.000 2.647 367 I HA 0.432 4.601 4.170 -0.000 0.000 0.295 367 I C -0.734 175.230 176.117 -0.255 0.000 1.078 367 I CA -0.959 60.170 61.300 -0.285 0.000 1.048 367 I CB 2.543 40.365 38.000 -0.298 0.000 1.239 367 I HN -0.040 nan 8.210 nan 0.000 0.421 368 V N 6.002 125.741 119.914 -0.291 0.000 2.487 368 V HA 0.604 4.724 4.120 -0.000 0.000 0.298 368 V C -0.265 175.709 176.094 -0.200 0.000 1.028 368 V CA -0.571 61.596 62.300 -0.221 0.000 0.860 368 V CB 1.811 33.499 31.823 -0.225 0.000 0.991 368 V HN 0.827 nan 8.190 nan 0.000 0.427 369 R N 0.000 120.411 120.500 -0.148 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