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_H 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 3.431 123.803 120.400 -0.046 0.000 2.464 2 K HA 0.619 4.940 4.320 0.001 0.000 0.253 2 K C -1.365 175.202 176.600 -0.054 0.000 0.933 2 K CA -0.728 55.530 56.287 -0.050 0.000 0.801 2 K CB 2.655 35.129 32.500 -0.043 0.000 1.271 2 K HN 0.598 nan 8.250 nan 0.000 0.430 3 I N 2.565 123.098 120.570 -0.062 0.000 2.471 3 I HA -0.026 4.145 4.170 0.001 0.000 0.286 3 I C 1.495 177.572 176.117 -0.066 0.000 1.079 3 I CA 0.237 61.496 61.300 -0.068 0.000 1.398 3 I CB 1.060 39.013 38.000 -0.080 0.000 1.403 3 I HN 0.861 nan 8.210 nan 0.000 0.530 4 T N 2.121 116.637 114.554 -0.063 0.000 3.034 4 T HA 0.470 4.821 4.350 0.001 0.000 0.248 4 T C 0.463 175.112 174.700 -0.086 0.000 1.040 4 T CA 0.151 62.213 62.100 -0.063 0.000 1.107 4 T CB 0.510 69.351 68.868 -0.045 0.000 0.932 4 T HN 0.653 nan 8.240 nan 0.000 0.474 5 A N 0.299 123.057 122.820 -0.103 0.000 2.612 5 A HA 0.736 5.056 4.320 0.001 0.000 0.293 5 A C -1.881 175.591 177.584 -0.187 0.000 1.075 5 A CA -0.992 50.943 52.037 -0.171 0.000 0.680 5 A CB 1.033 19.905 19.000 -0.213 0.000 1.279 5 A HN 0.384 nan 8.150 nan 0.000 0.411 6 I N 2.404 122.814 120.570 -0.266 0.000 2.512 6 I HA 0.319 4.490 4.170 0.001 0.000 0.287 6 I C -0.849 175.079 176.117 -0.315 0.000 1.069 6 I CA -0.449 60.721 61.300 -0.215 0.000 1.056 6 I CB 1.887 39.784 38.000 -0.171 0.000 1.229 6 I HN 0.659 nan 8.210 nan 0.000 0.429 7 H N 6.320 125.286 119.070 -0.174 0.000 2.502 7 H HA 0.465 5.021 4.556 0.001 0.000 0.327 7 H C -0.872 174.228 175.328 -0.379 0.000 1.099 7 H CA -0.671 55.197 56.048 -0.300 0.000 1.323 7 H CB 2.301 31.896 29.762 -0.278 0.000 1.450 7 H HN 0.173 nan 8.280 nan 0.000 0.502 8 L N 4.317 125.319 121.223 -0.369 0.000 2.333 8 L HA 0.275 4.616 4.340 0.001 0.000 0.280 8 L C -0.767 175.961 176.870 -0.237 0.000 1.004 8 L CA -0.667 54.036 54.840 -0.229 0.000 0.820 8 L CB 0.561 42.441 42.059 -0.299 0.000 1.247 8 L HN 0.583 nan 8.230 nan 0.000 0.416 9 Y N 1.399 121.787 120.300 0.148 0.000 2.326 9 Y HA 0.606 5.157 4.550 0.001 0.000 0.331 9 Y C 0.523 176.401 175.900 -0.037 0.000 0.962 9 Y CA -0.867 57.267 58.100 0.058 0.000 1.167 9 Y CB 1.855 40.347 38.460 0.054 0.000 1.148 9 Y HN 0.654 nan 8.280 nan 0.000 0.463 10 A N 6.144 128.816 122.820 -0.246 0.000 2.391 10 A HA 0.614 4.935 4.320 0.001 0.000 0.316 10 A C 0.020 177.593 177.584 -0.018 0.000 1.381 10 A CA -0.426 51.332 52.037 -0.466 0.000 0.998 10 A CB -0.792 16.934 19.000 -2.124 0.000 1.147 10 A HN 0.829 nan 8.150 nan 0.000 0.545 11 I N -0.782 119.926 120.570 0.231 0.000 3.217 11 I HA 0.813 4.983 4.170 0.001 0.000 0.308 11 I C -0.239 175.881 176.117 0.005 0.000 1.091 11 I CA -1.409 59.959 61.300 0.114 0.000 1.013 11 I CB 1.790 39.801 38.000 0.017 0.000 1.250 11 I HN 0.438 nan 8.210 nan 0.000 0.496 12 R N 2.359 122.785 120.500 -0.123 0.000 2.502 12 R HA 0.535 4.876 4.340 0.001 0.000 0.298 12 R C -1.655 174.493 176.300 -0.253 0.000 1.018 12 R CA -0.654 55.293 56.100 -0.254 0.000 0.899 12 R CB 2.048 32.199 30.300 -0.248 0.000 1.181 12 R HN 0.579 nan 8.270 nan 0.000 0.444 13 L N 5.368 126.367 121.223 -0.373 0.000 2.278 13 L HA 0.361 4.702 4.340 0.001 0.000 0.287 13 L C -1.860 174.814 176.870 -0.325 0.000 1.072 13 L CA -1.867 52.629 54.840 -0.573 0.000 0.819 13 L CB 0.812 42.063 42.059 -1.345 0.000 1.176 13 L HN 0.261 nan 8.230 nan 0.000 0.435 14 P HA 0.133 nan 4.420 nan 0.000 0.276 14 P C -0.866 176.541 177.300 0.178 0.000 1.235 14 P CA -0.112 62.993 63.100 0.009 0.000 0.772 14 P CB 1.092 32.790 31.700 -0.003 0.000 0.871 15 L N 3.982 125.313 121.223 0.180 0.000 2.309 15 L HA 0.390 4.730 4.340 0.001 0.000 0.282 15 L C 2.257 179.189 176.870 0.103 0.000 1.036 15 L CA -0.683 54.270 54.840 0.189 0.000 0.806 15 L CB 1.599 43.756 42.059 0.162 0.000 1.220 15 L HN 0.393 nan 8.230 nan 0.000 0.429 16 R N 2.119 122.663 120.500 0.073 0.000 2.105 16 R HA -0.084 4.257 4.340 0.001 0.000 0.239 16 R C -0.221 176.108 176.300 0.049 0.000 1.135 16 R CA 1.410 57.540 56.100 0.050 0.000 0.967 16 R CB 0.182 30.500 30.300 0.030 0.000 0.861 16 R HN 0.729 nan 8.270 nan 0.000 0.442 17 N N -1.017 117.717 118.700 0.057 0.000 2.329 17 N HA 0.313 5.053 4.740 0.001 0.000 0.282 17 N C -2.885 172.682 175.510 0.096 0.000 1.198 17 N CA -1.583 51.506 53.050 0.064 0.000 0.790 17 N CB 2.048 40.570 38.487 0.057 0.000 1.579 17 N HN -0.140 nan 8.380 nan 0.000 0.475 18 P HA 0.044 nan 4.420 nan 0.000 0.267 18 P C -1.164 176.238 177.300 0.169 0.000 1.209 18 P CA 0.070 63.242 63.100 0.120 0.000 0.763 18 P CB 0.137 31.875 31.700 0.062 0.000 0.816 19 F N 5.675 125.667 119.950 0.070 0.000 2.413 19 F HA 0.283 4.811 4.527 0.001 0.000 0.359 19 F C -0.554 175.300 175.800 0.090 0.000 1.122 19 F CA -0.547 57.489 58.000 0.059 0.000 1.160 19 F CB 0.382 39.417 39.000 0.059 0.000 1.146 19 F HN -0.007 nan 8.300 nan 0.000 0.514 20 V N 8.443 128.104 119.914 -0.421 0.000 2.417 20 V HA 0.500 4.620 4.120 0.001 0.000 0.291 20 V C 0.274 176.019 176.094 -0.581 0.000 1.024 20 V CA -0.634 61.427 62.300 -0.399 0.000 0.861 20 V CB 1.085 32.771 31.823 -0.228 0.000 0.985 20 V HN 0.718 nan 8.190 nan 0.000 0.436 21 I N 1.099 121.363 120.570 -0.510 0.000 3.457 21 I HA 0.591 4.762 4.170 0.001 0.000 0.307 21 I C 1.317 177.171 176.117 -0.439 0.000 1.138 21 I CA -0.572 60.414 61.300 -0.524 0.000 0.974 21 I CB 1.729 39.353 38.000 -0.627 0.000 1.324 21 I HN 0.402 nan 8.210 nan 0.000 0.485 22 S N 0.466 115.896 115.700 -0.450 0.000 2.365 22 S HA -0.207 4.263 4.470 0.001 0.000 0.225 22 S C 1.279 175.734 174.600 -0.241 0.000 1.039 22 S CA 2.182 60.201 58.200 -0.301 0.000 1.033 22 S CB -0.611 62.459 63.200 -0.218 0.000 0.887 22 S HN 0.739 nan 8.310 nan 0.000 0.447 23 Y N -0.258 119.941 120.300 -0.169 0.000 2.708 23 Y HA 0.698 5.249 4.550 0.001 0.000 0.287 23 Y C 0.403 176.096 175.900 -0.346 0.000 1.145 23 Y CA -0.751 57.196 58.100 -0.254 0.000 1.249 23 Y CB -0.351 37.915 38.460 -0.324 0.000 1.152 23 Y HN 0.242 nan 8.280 nan 0.000 0.532 24 G N -0.639 108.010 108.800 -0.252 0.000 2.347 24 G HA2 0.336 4.296 3.960 0.001 0.000 0.303 24 G HA3 0.336 4.296 3.960 0.001 0.000 0.303 24 G C -1.914 172.761 174.900 -0.375 0.000 1.481 24 G CA -0.679 44.252 45.100 -0.282 0.000 0.914 24 G HN 0.243 nan 8.290 nan 0.000 0.638 25 S N -0.715 114.734 115.700 -0.418 0.000 2.482 25 S HA 0.822 5.293 4.470 0.001 0.000 0.303 25 S C -1.419 172.929 174.600 -0.420 0.000 1.091 25 S CA -0.586 57.430 58.200 -0.307 0.000 1.057 25 S CB 0.883 63.985 63.200 -0.162 0.000 1.031 25 S HN 0.553 nan 8.310 nan 0.000 0.485 26 Y N 2.157 122.499 120.300 0.069 0.000 2.331 26 Y HA 0.301 4.852 4.550 0.001 0.000 0.334 26 Y C 1.376 177.335 175.900 0.099 0.000 0.960 26 Y CA -0.705 57.464 58.100 0.115 0.000 1.130 26 Y CB 2.001 40.583 38.460 0.204 0.000 1.164 26 Y HN 0.760 nan 8.280 nan 0.000 0.458 27 S N -0.178 115.632 115.700 0.184 0.000 2.478 27 S HA 0.073 4.544 4.470 0.001 0.000 0.222 27 S C 0.131 174.807 174.600 0.127 0.000 1.008 27 S CA 0.743 59.016 58.200 0.122 0.000 0.928 27 S CB 0.006 63.245 63.200 0.065 0.000 0.781 27 S HN 0.780 nan 8.310 nan 0.000 0.518 28 D N -0.360 120.127 120.400 0.144 0.000 2.768 28 D HA 0.492 5.132 4.640 0.001 0.000 0.327 28 D C -1.369 174.986 176.300 0.091 0.000 1.302 28 D CA -0.690 53.369 54.000 0.099 0.000 0.897 28 D CB 0.775 41.579 40.800 0.007 0.000 1.420 28 D HN 0.112 nan 8.370 nan 0.000 0.494 29 M N 0.292 119.890 119.600 -0.003 0.000 2.090 29 M HA 0.467 4.947 4.480 0.001 0.000 0.277 29 M C -2.924 173.231 176.300 -0.240 0.000 0.935 29 M CA -1.655 53.608 55.300 -0.062 0.000 0.966 29 M CB 2.154 34.799 32.600 0.075 0.000 1.635 29 M HN 0.038 nan 8.290 nan 0.000 0.446 30 P HA 0.316 nan 4.420 nan 0.000 0.271 30 P C -1.260 175.821 177.300 -0.365 0.000 1.216 30 P CA -0.127 62.499 63.100 -0.790 0.000 0.776 30 P CB 1.047 31.994 31.700 -1.254 0.000 0.881 31 S N 2.495 118.121 115.700 -0.124 0.000 2.550 31 S HA 0.636 5.107 4.470 0.001 0.000 0.270 31 S C -1.614 173.211 174.600 0.374 0.000 1.145 31 S CA -0.674 57.621 58.200 0.159 0.000 0.852 31 S CB 0.635 63.847 63.200 0.021 0.000 1.119 31 S HN 0.109 nan 8.310 nan 0.000 0.465 32 I N 4.152 124.895 120.570 0.290 0.000 2.406 32 I HA 0.488 4.659 4.170 0.001 0.000 0.290 32 I C -0.648 175.586 176.117 0.196 0.000 0.999 32 I CA -0.702 60.744 61.300 0.243 0.000 1.124 32 I CB 1.428 39.552 38.000 0.206 0.000 1.289 32 I HN 0.566 nan 8.210 nan 0.000 0.441 33 I N 6.907 127.618 120.570 0.234 0.000 2.493 33 I HA 0.465 4.635 4.170 0.001 0.000 0.298 33 I C 0.054 176.363 176.117 0.319 0.000 0.998 33 I CA -0.880 60.576 61.300 0.261 0.000 1.137 33 I CB 2.002 40.155 38.000 0.256 0.000 1.310 33 I HN 0.271 nan 8.210 nan 0.000 0.445 34 V N 3.181 123.244 119.914 0.247 0.000 2.604 34 V HA 0.627 4.748 4.120 0.001 0.000 0.305 34 V C -0.575 175.594 176.094 0.124 0.000 1.043 34 V CA -0.802 61.599 62.300 0.167 0.000 0.888 34 V CB 2.108 33.962 31.823 0.052 0.000 0.995 34 V HN 0.837 nan 8.190 nan 0.000 0.429 35 K N 5.059 125.517 120.400 0.097 0.000 2.394 35 K HA 0.593 4.913 4.320 0.001 0.000 0.260 35 K C -1.117 175.447 176.600 -0.060 0.000 0.967 35 K CA -0.716 55.473 56.287 -0.164 0.000 0.855 35 K CB 1.757 34.199 32.500 -0.097 0.000 1.101 35 K HN 0.996 nan 8.250 nan 0.000 0.433 36 M N 4.204 123.715 119.600 -0.147 0.000 2.129 36 M HA 0.236 4.717 4.480 0.001 0.000 0.348 36 M C -1.011 175.243 176.300 -0.077 0.000 1.116 36 M CA -0.190 55.057 55.300 -0.088 0.000 1.022 36 M CB 1.045 33.592 32.600 -0.089 0.000 1.599 36 M HN 0.519 nan 8.290 nan 0.000 0.449 37 E N 2.645 122.821 120.200 -0.039 0.000 2.204 37 E HA 0.463 4.814 4.350 0.001 0.000 0.276 37 E C -0.619 175.956 176.600 -0.042 0.000 0.974 37 E CA -0.598 55.786 56.400 -0.026 0.000 0.815 37 E CB 1.748 31.459 29.700 0.018 0.000 1.119 37 E HN 0.679 nan 8.360 nan 0.000 0.393 38 T N -1.693 112.839 114.554 -0.037 0.000 2.930 38 T HA 0.141 4.492 4.350 0.001 0.000 0.290 38 T C 0.651 175.333 174.700 -0.030 0.000 1.052 38 T CA -0.895 61.181 62.100 -0.040 0.000 1.017 38 T CB 1.291 70.133 68.868 -0.043 0.000 1.137 38 T HN 0.460 nan 8.240 nan 0.000 0.511 39 D N 0.008 120.389 120.400 -0.031 0.000 2.351 39 D HA -0.128 4.513 4.640 0.001 0.000 0.216 39 D C 0.931 177.219 176.300 -0.020 0.000 0.968 39 D CA 0.828 54.813 54.000 -0.025 0.000 0.899 39 D CB -0.236 40.549 40.800 -0.026 0.000 0.907 39 D HN 0.831 nan 8.370 nan 0.000 0.514 40 E N -0.480 119.706 120.200 -0.022 0.000 2.444 40 E HA 0.277 4.627 4.350 0.001 0.000 0.191 40 E C 1.210 177.802 176.600 -0.013 0.000 1.041 40 E CA 0.189 56.579 56.400 -0.018 0.000 0.883 40 E CB 0.162 29.849 29.700 -0.021 0.000 1.024 40 E HN 0.433 nan 8.360 nan 0.000 0.470 41 G N 1.823 110.616 108.800 -0.012 0.000 2.220 41 G HA2 -0.325 3.636 3.960 0.001 0.000 0.269 41 G HA3 -0.325 3.636 3.960 0.001 0.000 0.269 41 G C 0.399 175.295 174.900 -0.007 0.000 0.977 41 G CA 0.177 45.273 45.100 -0.006 0.000 0.634 41 G HN 0.302 nan 8.290 nan 0.000 0.539 42 I N 2.201 122.763 120.570 -0.013 0.000 2.496 42 I HA 0.454 4.624 4.170 0.001 0.000 0.285 42 I C 1.006 177.109 176.117 -0.023 0.000 1.080 42 I CA -0.488 60.804 61.300 -0.013 0.000 1.404 42 I CB 0.821 38.810 38.000 -0.018 0.000 1.403 42 I HN 0.347 nan 8.210 nan 0.000 0.539 43 I N 2.677 123.235 120.570 -0.019 0.000 2.530 43 I HA 0.914 5.084 4.170 0.001 0.000 0.297 43 I C -0.152 175.928 176.117 -0.062 0.000 1.011 43 I CA -0.498 60.765 61.300 -0.061 0.000 1.107 43 I CB 2.059 40.008 38.000 -0.084 0.000 1.285 43 I HN 0.544 nan 8.210 nan 0.000 0.436 44 G N 4.152 112.874 108.800 -0.131 0.000 2.524 44 G HA2 0.646 4.607 3.960 0.001 0.000 0.310 44 G HA3 0.646 4.607 3.960 0.001 0.000 0.310 44 G C -2.037 172.749 174.900 -0.190 0.000 1.279 44 G CA -0.569 44.492 45.100 -0.066 0.000 0.974 44 G HN 0.578 nan 8.290 nan 0.000 0.484 45 Y N -0.145 120.176 120.300 0.035 0.000 2.377 45 Y HA 0.674 5.224 4.550 0.001 0.000 0.339 45 Y C 0.833 176.765 175.900 0.055 0.000 1.011 45 Y CA -0.122 58.007 58.100 0.048 0.000 1.093 45 Y CB 2.680 41.158 38.460 0.031 0.000 1.201 45 Y HN 0.778 nan 8.280 nan 0.000 0.455 46 G N 1.236 110.155 108.800 0.197 0.000 2.658 46 G HA2 0.637 4.597 3.960 0.001 0.000 0.292 46 G HA3 0.637 4.597 3.960 0.001 0.000 0.292 46 G C -1.904 173.088 174.900 0.152 0.000 1.320 46 G CA -0.779 44.409 45.100 0.147 0.000 0.933 46 G HN 0.522 nan 8.290 nan 0.000 0.476 47 E N -1.025 119.249 120.200 0.123 0.000 2.366 47 E HA 0.596 4.946 4.350 0.001 0.000 0.278 47 E C -0.969 175.692 176.600 0.101 0.000 0.923 47 E CA -1.036 55.434 56.400 0.117 0.000 0.761 47 E CB 2.131 31.894 29.700 0.105 0.000 1.231 47 E HN 0.840 nan 8.360 nan 0.000 0.443 48 G N 1.758 110.624 108.800 0.110 0.000 2.737 48 G HA2 0.466 4.427 3.960 0.001 0.000 0.290 48 G HA3 0.466 4.427 3.960 0.001 0.000 0.290 48 G C -1.560 173.415 174.900 0.126 0.000 1.482 48 G CA -0.432 44.732 45.100 0.106 0.000 1.017 48 G HN 0.336 nan 8.290 nan 0.000 0.529 49 V N 3.123 123.097 119.914 0.101 0.000 2.326 49 V HA 0.796 4.917 4.120 0.001 0.000 0.281 49 V C 0.315 176.465 176.094 0.094 0.000 1.015 49 V CA -0.453 61.905 62.300 0.098 0.000 0.823 49 V CB 0.707 32.564 31.823 0.056 0.000 1.009 49 V HN 1.133 nan 8.190 nan 0.000 0.436 50 A N 4.853 127.752 122.820 0.132 0.000 2.354 50 A HA 0.608 4.929 4.320 0.001 0.000 0.269 50 A C -0.163 177.488 177.584 0.113 0.000 1.109 50 A CA -0.315 51.797 52.037 0.125 0.000 0.800 50 A CB 0.696 19.794 19.000 0.164 0.000 1.045 50 A HN 0.878 nan 8.150 nan 0.000 0.489 51 D N 1.729 122.191 120.400 0.102 0.000 2.454 51 D HA 0.242 4.882 4.640 0.001 0.000 0.247 51 D C -0.185 176.157 176.300 0.071 0.000 1.129 51 D CA -0.397 53.681 54.000 0.130 0.000 0.877 51 D CB 0.892 41.787 40.800 0.158 0.000 1.082 51 D HN 0.431 nan 8.370 nan 0.000 0.537 52 D N 1.452 121.852 120.400 0.001 0.000 2.172 52 D HA -0.203 4.438 4.640 0.001 0.000 0.196 52 D C 1.155 177.325 176.300 -0.216 0.000 0.999 52 D CA 1.495 55.413 54.000 -0.137 0.000 0.856 52 D CB -0.175 40.471 40.800 -0.257 0.000 0.934 52 D HN 0.643 nan 8.370 nan 0.000 0.453 53 H N -1.182 117.875 119.070 -0.023 0.000 2.547 53 H HA 0.120 4.677 4.556 0.001 0.000 0.272 53 H C 1.652 176.847 175.328 -0.221 0.000 0.989 53 H CA 0.299 56.218 56.048 -0.215 0.000 1.214 53 H CB 0.472 29.885 29.762 -0.582 0.000 1.389 53 H HN 0.034 nan 8.280 nan 0.000 0.577 54 V N -0.812 119.098 119.914 -0.006 0.000 2.854 54 V HA -0.053 4.068 4.120 0.001 0.000 0.236 54 V C 2.036 178.138 176.094 0.013 0.000 1.157 54 V CA 1.555 63.858 62.300 0.005 0.000 1.187 54 V CB 0.273 32.129 31.823 0.056 0.000 0.949 54 V HN 0.546 nan 8.190 nan 0.000 0.488 55 T N -2.431 112.137 114.554 0.024 0.000 3.044 55 T HA 0.346 4.696 4.350 0.001 0.000 0.260 55 T C 1.423 176.139 174.700 0.027 0.000 1.019 55 T CA 0.709 62.824 62.100 0.026 0.000 0.921 55 T CB 0.622 69.509 68.868 0.032 0.000 1.053 55 T HN 1.043 nan 8.240 nan 0.000 0.533 56 G N 1.233 110.042 108.800 0.015 0.000 2.198 56 G HA2 -0.223 3.737 3.960 0.001 0.000 0.260 56 G HA3 -0.223 3.737 3.960 0.001 0.000 0.260 56 G C -0.369 174.553 174.900 0.037 0.000 1.025 56 G CA 0.213 45.323 45.100 0.016 0.000 0.769 56 G HN 0.679 nan 8.290 nan 0.000 0.507 57 E N -0.181 120.049 120.200 0.049 0.000 2.212 57 E HA 0.650 5.000 4.350 0.001 0.000 0.268 57 E C 0.234 176.894 176.600 0.100 0.000 0.902 57 E CA -0.162 56.285 56.400 0.078 0.000 0.779 57 E CB 1.760 31.510 29.700 0.083 0.000 1.172 57 E HN 0.442 nan 8.360 nan 0.000 0.409 58 S N 0.904 116.687 115.700 0.138 0.000 2.677 58 S HA 0.247 4.718 4.470 0.001 0.000 0.304 58 S C 0.208 174.982 174.600 0.290 0.000 1.108 58 S CA -0.840 57.476 58.200 0.193 0.000 0.944 58 S CB 0.989 64.296 63.200 0.178 0.000 1.127 58 S HN 0.803 nan 8.310 nan 0.000 0.511 59 W N 1.693 123.067 121.300 0.123 0.000 2.315 59 W HA -0.096 4.565 4.660 0.001 0.000 0.323 59 W C 1.784 178.432 176.519 0.216 0.000 1.233 59 W CA 2.295 59.723 57.345 0.138 0.000 1.267 59 W CB -0.940 28.590 29.460 0.116 0.000 1.160 59 W HN 0.916 nan 8.180 nan 0.000 0.474 60 E N -0.042 120.298 120.200 0.234 0.000 2.072 60 E HA -0.198 4.152 4.350 0.001 0.000 0.191 60 E C 2.473 179.268 176.600 0.325 0.000 0.985 60 E CA 2.217 58.713 56.400 0.160 0.000 0.801 60 E CB -0.940 28.872 29.700 0.188 0.000 0.750 60 E HN 0.307 nan 8.360 nan 0.000 0.452 61 S N -0.182 115.673 115.700 0.258 0.000 2.382 61 S HA -0.178 4.292 4.470 0.001 0.000 0.228 61 S C 2.032 176.760 174.600 0.214 0.000 1.027 61 S CA 1.659 59.997 58.200 0.229 0.000 0.991 61 S CB -0.685 62.608 63.200 0.155 0.000 0.823 61 S HN 0.196 nan 8.310 nan 0.000 0.469 62 T N 1.460 116.128 114.554 0.189 0.000 2.777 62 T HA 0.026 4.376 4.350 0.001 0.000 0.266 62 T C 1.266 176.027 174.700 0.102 0.000 1.040 62 T CA 1.360 63.544 62.100 0.139 0.000 1.141 62 T CB -0.623 68.336 68.868 0.152 0.000 0.868 62 T HN 0.504 nan 8.240 nan 0.000 0.444 63 F N 1.872 121.790 119.950 -0.052 0.000 2.095 63 F HA -0.223 4.304 4.527 0.001 0.000 0.298 63 F C 2.488 178.157 175.800 -0.218 0.000 1.104 63 F CA 1.594 59.486 58.000 -0.179 0.000 1.232 63 F CB -0.331 38.502 39.000 -0.279 0.000 0.987 63 F HN 0.277 nan 8.300 nan 0.000 0.475 64 H N -1.042 118.090 119.070 0.104 0.000 2.395 64 H HA -0.087 4.470 4.556 0.001 0.000 0.299 64 H C 2.482 177.818 175.328 0.013 0.000 1.070 64 H CA 1.897 57.975 56.048 0.050 0.000 1.356 64 H CB -0.870 29.044 29.762 0.254 0.000 1.401 64 H HN 0.384 nan 8.280 nan 0.000 0.524 65 T N -0.420 114.208 114.554 0.123 0.000 2.915 65 T HA -0.043 4.308 4.350 0.001 0.000 0.269 65 T C 2.229 176.908 174.700 -0.034 0.000 1.071 65 T CA 0.465 62.606 62.100 0.070 0.000 1.132 65 T CB -0.370 68.539 68.868 0.069 0.000 0.878 65 T HN 0.149 nan 8.240 nan 0.000 0.479 66 L N 0.193 121.341 121.223 -0.124 0.000 2.044 66 L HA 0.095 4.436 4.340 0.001 0.000 0.205 66 L C 3.023 179.717 176.870 -0.293 0.000 1.075 66 L CA 1.553 56.275 54.840 -0.197 0.000 0.747 66 L CB -0.422 41.493 42.059 -0.240 0.000 0.903 66 L HN 0.261 nan 8.230 nan 0.000 0.435 67 K N -0.381 119.728 120.400 -0.485 0.000 2.002 67 K HA -0.198 4.123 4.320 0.001 0.000 0.209 67 K C 1.922 178.238 176.600 -0.473 0.000 1.048 67 K CA 1.884 57.799 56.287 -0.620 0.000 0.930 67 K CB -0.053 31.848 32.500 -0.998 0.000 0.714 67 K HN 0.419 nan 8.250 nan 0.000 0.438 68 H N -1.552 117.457 119.070 -0.101 0.000 2.547 68 H HA 0.113 4.669 4.556 0.001 0.000 0.272 68 H C 1.330 176.631 175.328 -0.045 0.000 0.971 68 H CA 1.053 57.071 56.048 -0.051 0.000 1.245 68 H CB 0.771 30.530 29.762 -0.005 0.000 1.440 68 H HN 0.158 nan 8.280 nan 0.000 0.540 69 T N -0.398 114.184 114.554 0.047 0.000 3.151 69 T HA 0.134 4.485 4.350 0.001 0.000 0.239 69 T C 1.907 176.596 174.700 -0.018 0.000 0.979 69 T CA 0.094 62.209 62.100 0.024 0.000 1.194 69 T CB 0.008 68.899 68.868 0.038 0.000 0.982 69 T HN 0.042 nan 8.240 nan 0.000 0.428 70 L N 1.575 122.772 121.223 -0.043 0.000 2.049 70 L HA -0.029 4.311 4.340 0.001 0.000 0.203 70 L C 3.139 179.959 176.870 -0.084 0.000 1.074 70 L CA 1.661 56.465 54.840 -0.060 0.000 0.749 70 L CB -1.080 40.940 42.059 -0.065 0.000 0.907 70 L HN 0.439 nan 8.230 nan 0.000 0.439 71 T N -2.340 112.144 114.554 -0.117 0.000 2.720 71 T HA -0.088 4.262 4.350 0.001 0.000 0.268 71 T C -0.466 174.168 174.700 -0.110 0.000 1.037 71 T CA 0.985 63.007 62.100 -0.130 0.000 1.144 71 T CB -1.915 66.845 68.868 -0.180 0.000 0.864 71 T HN 0.206 nan 8.240 nan 0.000 0.444 72 P HA 0.030 nan 4.420 nan 0.000 0.218 72 P C 1.541 178.806 177.300 -0.059 0.000 1.148 72 P CA 1.571 64.627 63.100 -0.074 0.000 0.822 72 P CB -0.321 31.347 31.700 -0.052 0.000 0.784 73 A N -0.800 121.988 122.820 -0.053 0.000 2.167 73 A HA 0.039 4.359 4.320 0.001 0.000 0.214 73 A C 2.205 179.756 177.584 -0.055 0.000 1.151 73 A CA 0.651 52.661 52.037 -0.045 0.000 0.735 73 A CB -1.176 17.803 19.000 -0.034 0.000 0.802 73 A HN 0.155 nan 8.150 nan 0.000 0.467 74 L N -0.843 120.338 121.223 -0.070 0.000 2.513 74 L HA 0.187 4.527 4.340 0.001 0.000 0.222 74 L C -0.054 176.770 176.870 -0.077 0.000 1.096 74 L CA -0.399 54.395 54.840 -0.077 0.000 0.857 74 L CB -0.146 41.858 42.059 -0.092 0.000 1.026 74 L HN 0.165 nan 8.230 nan 0.000 0.469 75 I N 0.985 121.510 120.570 -0.077 0.000 2.752 75 I HA 0.063 4.234 4.170 0.001 0.000 0.289 75 I C 1.435 177.515 176.117 -0.061 0.000 1.197 75 I CA 1.133 62.388 61.300 -0.074 0.000 1.432 75 I CB 0.357 38.312 38.000 -0.075 0.000 1.359 75 I HN 0.301 nan 8.210 nan 0.000 0.571 76 G N 3.775 112.540 108.800 -0.059 0.000 2.199 76 G HA2 -0.276 3.685 3.960 0.001 0.000 0.254 76 G HA3 -0.276 3.685 3.960 0.001 0.000 0.254 76 G C 0.435 175.305 174.900 -0.051 0.000 0.982 76 G CA 0.010 45.080 45.100 -0.050 0.000 0.632 76 G HN 0.567 nan 8.290 nan 0.000 0.529 77 Q N 0.473 120.238 119.800 -0.058 0.000 2.306 77 Q HA 0.586 4.926 4.340 0.001 0.000 0.241 77 Q C 0.132 176.091 176.000 -0.069 0.000 0.948 77 Q CA -0.577 55.189 55.803 -0.061 0.000 0.886 77 Q CB 0.718 29.416 28.738 -0.067 0.000 1.227 77 Q HN 0.275 nan 8.270 nan 0.000 0.457 78 N N 3.367 122.025 118.700 -0.070 0.000 2.406 78 N HA 0.186 4.927 4.740 0.001 0.000 0.251 78 N C -2.069 173.379 175.510 -0.104 0.000 1.069 78 N CA -1.790 51.213 53.050 -0.078 0.000 0.947 78 N CB 1.026 39.471 38.487 -0.069 0.000 1.111 78 N HN 0.380 nan 8.380 nan 0.000 0.497 79 P HA -0.083 nan 4.420 nan 0.000 0.230 79 P C 1.126 178.308 177.300 -0.196 0.000 1.158 79 P CA 0.721 63.730 63.100 -0.151 0.000 0.769 79 P CB 0.339 31.960 31.700 -0.131 0.000 0.807 80 M N -0.455 119.049 119.600 -0.159 0.000 2.349 80 M HA -0.015 4.466 4.480 0.001 0.000 0.266 80 M C 0.493 176.678 176.300 -0.192 0.000 1.076 80 M CA 0.931 56.129 55.300 -0.170 0.000 1.126 80 M CB -1.383 31.150 32.600 -0.111 0.000 1.392 80 M HN 0.019 nan 8.290 nan 0.000 0.440 81 N N 1.401 120.001 118.700 -0.167 0.000 3.083 81 N HA 0.105 4.846 4.740 0.001 0.000 0.260 81 N C 1.055 176.443 175.510 -0.204 0.000 1.163 81 N CA -0.369 52.587 53.050 -0.157 0.000 1.060 81 N CB 1.020 39.448 38.487 -0.098 0.000 1.345 81 N HN 0.065 nan 8.380 nan 0.000 0.515 82 I N 1.452 121.826 120.570 -0.328 0.000 2.208 82 I HA -0.257 3.913 4.170 0.001 0.000 0.245 82 I C 2.257 178.216 176.117 -0.264 0.000 1.097 82 I CA 1.751 62.809 61.300 -0.402 0.000 1.363 82 I CB -0.220 37.346 38.000 -0.724 0.000 1.051 82 I HN 0.502 nan 8.210 nan 0.000 0.413 83 E N 0.907 120.927 120.200 -0.301 0.000 2.085 83 E HA -0.296 4.055 4.350 0.001 0.000 0.194 83 E C 2.187 178.823 176.600 0.060 0.000 0.994 83 E CA 1.807 58.200 56.400 -0.013 0.000 0.801 83 E CB -0.119 29.623 29.700 0.070 0.000 0.743 83 E HN 0.230 nan 8.360 nan 0.000 0.453 84 K N 0.009 120.403 120.400 -0.010 0.000 2.025 84 K HA -0.060 4.261 4.320 0.001 0.000 0.207 84 K C 1.944 178.538 176.600 -0.010 0.000 1.049 84 K CA 1.334 57.619 56.287 -0.004 0.000 0.933 84 K CB -0.272 32.208 32.500 -0.032 0.000 0.714 84 K HN 0.145 nan 8.250 nan 0.000 0.438 85 I N 0.842 121.380 120.570 -0.053 0.000 2.151 85 I HA -0.294 3.876 4.170 0.001 0.000 0.243 85 I C 2.008 178.067 176.117 -0.098 0.000 1.080 85 I CA 1.827 63.067 61.300 -0.099 0.000 1.339 85 I CB -1.121 36.779 38.000 -0.167 0.000 1.039 85 I HN 0.343 nan 8.210 nan 0.000 0.409 86 H N -0.167 118.901 119.070 -0.002 0.000 2.423 86 H HA -0.170 4.386 4.556 0.001 0.000 0.297 86 H C 1.973 177.327 175.328 0.043 0.000 1.075 86 H CA 1.784 57.861 56.048 0.048 0.000 1.342 86 H CB -0.082 29.757 29.762 0.128 0.000 1.395 86 H HN 0.310 nan 8.280 nan 0.000 0.530 87 D N -0.235 120.252 120.400 0.145 0.000 2.117 87 D HA -0.174 4.467 4.640 0.001 0.000 0.197 87 D C 2.210 178.541 176.300 0.053 0.000 0.987 87 D CA 1.021 55.078 54.000 0.095 0.000 0.829 87 D CB -0.045 40.799 40.800 0.074 0.000 0.961 87 D HN 0.188 nan 8.370 nan 0.000 0.460 88 M N -0.341 119.271 119.600 0.021 0.000 2.067 88 M HA -0.102 4.379 4.480 0.001 0.000 0.260 88 M C 1.986 178.285 176.300 -0.002 0.000 1.069 88 M CA 1.604 56.903 55.300 -0.001 0.000 1.117 88 M CB -0.384 32.200 32.600 -0.026 0.000 1.334 88 M HN 0.080 nan 8.290 nan 0.000 0.407 89 M N -0.276 119.312 119.600 -0.021 0.000 2.086 89 M HA -0.216 4.265 4.480 0.001 0.000 0.261 89 M C 1.630 177.942 176.300 0.020 0.000 1.067 89 M CA 1.805 57.092 55.300 -0.022 0.000 1.116 89 M CB -1.013 31.543 32.600 -0.073 0.000 1.348 89 M HN 0.227 nan 8.290 nan 0.000 0.407 90 D N 0.419 120.849 120.400 0.050 0.000 2.144 90 D HA -0.116 4.525 4.640 0.001 0.000 0.199 90 D C 1.491 177.836 176.300 0.075 0.000 0.984 90 D CA 1.179 55.220 54.000 0.068 0.000 0.834 90 D CB -0.599 40.253 40.800 0.087 0.000 0.955 90 D HN 0.493 nan 8.370 nan 0.000 0.465 91 N N -0.532 118.203 118.700 0.058 0.000 2.244 91 N HA -0.117 4.623 4.740 0.001 0.000 0.183 91 N C 1.827 177.365 175.510 0.046 0.000 1.016 91 N CA 1.438 54.519 53.050 0.052 0.000 0.866 91 N CB 0.125 38.634 38.487 0.037 0.000 0.980 91 N HN 0.216 nan 8.380 nan 0.000 0.430 92 T N -1.465 113.110 114.554 0.036 0.000 2.978 92 T HA 0.116 4.466 4.350 0.001 0.000 0.262 92 T C 0.639 175.366 174.700 0.046 0.000 1.063 92 T CA 0.286 62.404 62.100 0.030 0.000 1.140 92 T CB 0.243 69.118 68.868 0.012 0.000 0.886 92 T HN 0.111 nan 8.240 nan 0.000 0.470 93 I N 0.033 120.640 120.570 0.061 0.000 2.775 93 I HA 0.486 4.656 4.170 0.001 0.000 0.295 93 I C -1.763 174.431 176.117 0.128 0.000 1.287 93 I CA -1.659 59.695 61.300 0.089 0.000 1.029 93 I CB 2.154 40.193 38.000 0.065 0.000 1.282 93 I HN 0.206 nan 8.210 nan 0.000 0.426 94 Y N 7.259 127.574 120.300 0.026 0.000 2.301 94 Y HA 0.615 5.166 4.550 0.001 0.000 0.325 94 Y C 0.884 176.805 175.900 0.034 0.000 1.203 94 Y CA 1.479 59.597 58.100 0.030 0.000 1.255 94 Y CB 1.170 39.645 38.460 0.024 0.000 1.232 94 Y HN 0.946 nan 8.280 nan 0.000 0.501 95 G N 1.959 110.435 108.800 -0.539 0.000 2.556 95 G HA2 -0.316 3.645 3.960 0.001 0.000 0.283 95 G HA3 -0.316 3.645 3.960 0.001 0.000 0.283 95 G C 0.203 175.041 174.900 -0.103 0.000 1.177 95 G CA -0.045 44.848 45.100 -0.345 0.000 0.978 95 G HN 1.654 nan 8.290 nan 0.000 0.554 96 V N 1.432 121.331 119.914 -0.025 0.000 5.691 96 V HA -0.215 3.905 4.120 0.001 0.000 0.288 96 V C 0.275 176.375 176.094 0.009 0.000 0.615 96 V CA 2.361 64.669 62.300 0.013 0.000 0.619 96 V CB -0.922 30.919 31.823 0.031 0.000 0.296 96 V HN 0.914 nan 8.190 nan 0.000 0.834 97 P HA -0.162 nan 4.420 nan 0.000 0.217 97 P C 1.529 178.855 177.300 0.042 0.000 1.150 97 P CA 1.990 65.101 63.100 0.018 0.000 0.832 97 P CB 0.090 31.791 31.700 0.003 0.000 0.787 98 T N 0.238 114.819 114.554 0.046 0.000 2.746 98 T HA -0.062 4.289 4.350 0.001 0.000 0.267 98 T C 2.115 176.851 174.700 0.060 0.000 1.039 98 T CA 1.755 63.891 62.100 0.060 0.000 1.142 98 T CB -0.801 68.111 68.868 0.073 0.000 0.866 98 T HN 0.102 nan 8.240 nan 0.000 0.444 99 A N 1.779 124.629 122.820 0.050 0.000 1.902 99 A HA -0.104 4.216 4.320 0.001 0.000 0.217 99 A C 2.234 179.829 177.584 0.018 0.000 1.181 99 A CA 1.484 53.541 52.037 0.033 0.000 0.623 99 A CB -0.398 18.616 19.000 0.022 0.000 0.818 99 A HN 0.459 nan 8.150 nan 0.000 0.443 100 K N -0.215 120.197 120.400 0.020 0.000 2.148 100 K HA 0.003 4.323 4.320 0.001 0.000 0.204 100 K C 2.229 178.853 176.600 0.041 0.000 1.050 100 K CA 0.932 57.222 56.287 0.005 0.000 0.942 100 K CB -0.284 32.233 32.500 0.028 0.000 0.724 100 K HN 0.443 nan 8.250 nan 0.000 0.446 101 A N 1.716 124.582 122.820 0.077 0.000 1.902 101 A HA -0.110 4.211 4.320 0.001 0.000 0.217 101 A C 2.411 180.049 177.584 0.090 0.000 1.181 101 A CA 1.745 53.845 52.037 0.105 0.000 0.623 101 A CB -0.680 18.372 19.000 0.087 0.000 0.818 101 A HN 0.312 nan 8.150 nan 0.000 0.443 102 A N -0.170 122.690 122.820 0.067 0.000 1.908 102 A HA -0.131 4.189 4.320 0.001 0.000 0.218 102 A C 2.127 179.740 177.584 0.048 0.000 1.181 102 A CA 1.706 53.783 52.037 0.066 0.000 0.627 102 A CB -0.568 18.466 19.000 0.057 0.000 0.818 102 A HN 0.510 nan 8.150 nan 0.000 0.445 103 I N -0.572 120.005 120.570 0.012 0.000 2.333 103 I HA -0.178 3.992 4.170 0.001 0.000 0.246 103 I C 2.360 178.473 176.117 -0.005 0.000 1.106 103 I CA 1.434 62.719 61.300 -0.025 0.000 1.411 103 I CB -0.286 37.666 38.000 -0.080 0.000 1.082 103 I HN 0.468 nan 8.210 nan 0.000 0.420 104 D N 1.628 122.048 120.400 0.033 0.000 2.104 104 D HA -0.215 4.425 4.640 0.001 0.000 0.194 104 D C 2.227 178.689 176.300 0.270 0.000 0.994 104 D CA 1.673 55.768 54.000 0.159 0.000 0.830 104 D CB 0.030 41.025 40.800 0.326 0.000 0.959 104 D HN 0.329 nan 8.370 nan 0.000 0.452 105 I N 1.238 121.935 120.570 0.212 0.000 2.226 105 I HA -0.249 3.922 4.170 0.001 0.000 0.245 105 I C 2.827 179.047 176.117 0.171 0.000 1.100 105 I CA 1.143 62.568 61.300 0.209 0.000 1.374 105 I CB -0.326 37.758 38.000 0.141 0.000 1.057 105 I HN 0.014 nan 8.210 nan 0.000 0.413 106 A N -0.056 122.826 122.820 0.103 0.000 1.902 106 A HA -0.233 4.088 4.320 0.001 0.000 0.217 106 A C 2.450 180.045 177.584 0.018 0.000 1.181 106 A CA 1.856 53.925 52.037 0.054 0.000 0.623 106 A CB -1.236 17.768 19.000 0.006 0.000 0.818 106 A HN 0.555 nan 8.150 nan 0.000 0.443 107 C N -1.947 117.345 119.300 -0.014 0.000 2.429 107 C HA -0.083 4.378 4.460 0.001 0.000 0.277 107 C C 2.411 177.306 174.990 -0.158 0.000 1.262 107 C CA 0.867 59.812 59.018 -0.122 0.000 1.733 107 C CB -1.743 25.867 27.740 -0.216 0.000 2.010 107 C HN 0.634 nan 8.230 nan 0.000 0.483 108 F N 0.928 120.864 119.950 -0.024 0.000 2.259 108 F HA -0.097 4.430 4.527 0.001 0.000 0.298 108 F C 2.183 177.950 175.800 -0.056 0.000 1.088 108 F CA 1.835 59.814 58.000 -0.035 0.000 1.358 108 F CB -0.420 38.567 39.000 -0.021 0.000 1.040 108 F HN 0.191 nan 8.300 nan 0.000 0.505 109 D N 0.690 121.165 120.400 0.126 0.000 2.084 109 D HA -0.188 4.452 4.640 0.001 0.000 0.194 109 D C 2.224 178.539 176.300 0.025 0.000 0.990 109 D CA 1.477 55.514 54.000 0.061 0.000 0.826 109 D CB -0.262 40.591 40.800 0.088 0.000 0.971 109 D HN 0.246 nan 8.370 nan 0.000 0.453 110 I N 0.032 120.602 120.570 0.000 0.000 2.208 110 I HA -0.263 3.907 4.170 0.001 0.000 0.245 110 I C 2.638 178.732 176.117 -0.038 0.000 1.097 110 I CA 0.833 62.117 61.300 -0.027 0.000 1.363 110 I CB -0.235 37.732 38.000 -0.055 0.000 1.051 110 I HN 0.148 nan 8.210 nan 0.000 0.413 111 M N 0.382 119.946 119.600 -0.060 0.000 2.080 111 M HA -0.184 4.297 4.480 0.001 0.000 0.260 111 M C 2.214 178.502 176.300 -0.021 0.000 1.068 111 M CA 2.367 57.627 55.300 -0.066 0.000 1.109 111 M CB -0.520 32.006 32.600 -0.123 0.000 1.342 111 M HN 0.317 nan 8.290 nan 0.000 0.405 112 G N 0.096 108.897 108.800 0.001 0.000 2.418 112 G HA2 -0.208 3.752 3.960 0.001 0.000 0.217 112 G HA3 -0.208 3.752 3.960 0.001 0.000 0.217 112 G C 1.522 176.410 174.900 -0.019 0.000 1.158 112 G CA 0.859 45.950 45.100 -0.014 0.000 0.771 112 G HN 0.441 nan 8.290 nan 0.000 0.545 113 K N 0.239 120.631 120.400 -0.013 0.000 2.057 113 K HA -0.079 4.241 4.320 0.001 0.000 0.207 113 K C 2.433 179.027 176.600 -0.009 0.000 1.049 113 K CA 1.386 57.669 56.287 -0.007 0.000 0.931 113 K CB -0.100 32.403 32.500 0.005 0.000 0.714 113 K HN 0.182 nan 8.250 nan 0.000 0.440 114 K N 1.646 122.037 120.400 -0.015 0.000 2.063 114 K HA -0.107 4.213 4.320 0.001 0.000 0.208 114 K C 1.477 178.070 176.600 -0.013 0.000 1.048 114 K CA 1.437 57.714 56.287 -0.017 0.000 0.928 114 K CB -0.152 32.331 32.500 -0.028 0.000 0.713 114 K HN 0.095 nan 8.250 nan 0.000 0.442 115 L N 0.824 122.040 121.223 -0.011 0.000 2.611 115 L HA 0.137 4.477 4.340 0.001 0.000 0.229 115 L C 0.235 177.102 176.870 -0.004 0.000 1.137 115 L CA -0.073 54.764 54.840 -0.005 0.000 0.901 115 L CB -0.754 41.305 42.059 0.000 0.000 1.098 115 L HN 0.425 nan 8.230 nan 0.000 0.456 116 N N 1.912 120.608 118.700 -0.008 0.000 2.667 116 N HA -0.231 4.510 4.740 0.001 0.000 0.263 116 N C -0.244 175.259 175.510 -0.012 0.000 1.038 116 N CA 0.362 53.407 53.050 -0.008 0.000 0.749 116 N CB -0.170 38.316 38.487 -0.003 0.000 0.892 116 N HN 0.445 nan 8.380 nan 0.000 0.546 117 Q N 0.282 120.066 119.800 -0.027 0.000 2.472 117 Q HA 0.524 4.865 4.340 0.001 0.000 0.281 117 Q C -2.749 173.189 176.000 -0.103 0.000 0.997 117 Q CA -1.128 54.647 55.803 -0.046 0.000 0.828 117 Q CB 2.163 30.890 28.738 -0.020 0.000 1.443 117 Q HN 0.104 nan 8.270 nan 0.000 0.390 118 P HA 0.014 nan 4.420 nan 0.000 0.274 118 P C 0.328 177.424 177.300 -0.339 0.000 1.231 118 P CA -0.150 62.752 63.100 -0.330 0.000 0.790 118 P CB 0.976 32.292 31.700 -0.640 0.000 0.951 119 V N 2.237 121.918 119.914 -0.387 0.000 2.282 119 V HA -0.314 3.807 4.120 0.001 0.000 0.249 119 V C 2.427 178.551 176.094 0.050 0.000 1.057 119 V CA 2.657 64.819 62.300 -0.231 0.000 1.032 119 V CB -2.026 29.474 31.823 -0.539 0.000 0.645 119 V HN 0.616 nan 8.190 nan 0.000 0.447 120 Y N 1.027 121.603 120.300 0.460 0.000 2.365 120 Y HA -0.243 4.308 4.550 0.001 0.000 0.287 120 Y C 2.272 178.298 175.900 0.209 0.000 1.162 120 Y CA 1.556 59.847 58.100 0.318 0.000 1.260 120 Y CB -1.178 37.462 38.460 0.301 0.000 0.976 120 Y HN 0.322 nan 8.280 nan 0.000 0.548 121 Q N 0.595 120.536 119.800 0.235 0.000 2.297 121 Q HA 0.000 4.341 4.340 0.001 0.000 0.204 121 Q C 1.403 177.514 176.000 0.185 0.000 0.962 121 Q CA 1.077 57.021 55.803 0.236 0.000 0.879 121 Q CB -0.163 28.632 28.738 0.096 0.000 0.947 121 Q HN 0.527 nan 8.270 nan 0.000 0.462 122 L N 0.455 121.784 121.223 0.178 0.000 2.567 122 L HA 0.158 4.498 4.340 0.001 0.000 0.225 122 L C 1.217 178.237 176.870 0.250 0.000 1.119 122 L CA 0.670 55.634 54.840 0.207 0.000 0.871 122 L CB -0.612 41.602 42.059 0.259 0.000 1.036 122 L HN 0.423 nan 8.230 nan 0.000 0.459 123 I N -4.128 116.582 120.570 0.233 0.000 3.491 123 I HA 0.630 4.800 4.170 0.001 0.000 0.332 123 I C 0.802 177.047 176.117 0.213 0.000 1.565 123 I CA 0.135 61.566 61.300 0.217 0.000 1.050 123 I CB 0.496 38.576 38.000 0.133 0.000 1.348 123 I HN 0.104 nan 8.210 nan 0.000 0.506 124 G N 0.332 109.260 108.800 0.213 0.000 2.367 124 G HA2 0.182 4.143 3.960 0.001 0.000 0.181 124 G HA3 0.182 4.143 3.960 0.001 0.000 0.181 124 G C 0.640 175.660 174.900 0.200 0.000 1.000 124 G CA -0.164 45.053 45.100 0.194 0.000 0.693 124 G HN 1.478 nan 8.290 nan 0.000 0.480 125 G N -0.469 108.484 108.800 0.255 0.000 2.728 125 G HA2 0.145 4.105 3.960 0.001 0.000 0.294 125 G HA3 0.145 4.105 3.960 0.001 0.000 0.294 125 G C -0.254 174.792 174.900 0.243 0.000 1.342 125 G CA 0.435 45.700 45.100 0.276 0.000 0.866 125 G HN 1.137 nan 8.290 nan 0.000 0.534 126 R N -0.208 120.360 120.500 0.114 0.000 2.308 126 R HA 0.564 4.904 4.340 0.001 0.000 0.305 126 R C 0.564 176.847 176.300 -0.029 0.000 1.053 126 R CA -0.275 55.738 56.100 -0.145 0.000 0.957 126 R CB 0.433 30.528 30.300 -0.343 0.000 1.022 126 R HN 0.779 nan 8.270 nan 0.000 0.461 127 Y N 3.152 123.373 120.300 -0.132 0.000 2.664 127 Y HA 0.222 4.773 4.550 0.001 0.000 0.278 127 Y C 0.064 175.746 175.900 -0.363 0.000 1.130 127 Y CA 0.225 58.183 58.100 -0.237 0.000 1.260 127 Y CB 0.539 38.821 38.460 -0.297 0.000 1.369 127 Y HN 0.568 nan 8.280 nan 0.000 0.499 128 H N 0.942 119.944 119.070 -0.112 0.000 2.483 128 H HA 0.216 4.772 4.556 0.001 0.000 0.338 128 H C 0.371 175.569 175.328 -0.217 0.000 1.152 128 H CA -0.100 55.739 56.048 -0.347 0.000 1.264 128 H CB 1.836 31.147 29.762 -0.752 0.000 1.510 128 H HN 0.278 nan 8.280 nan 0.000 0.530 129 E N 0.944 121.068 120.200 -0.126 0.000 2.127 129 E HA 0.008 4.359 4.350 0.001 0.000 0.191 129 E C 0.278 176.931 176.600 0.088 0.000 0.964 129 E CA 0.678 57.060 56.400 -0.032 0.000 0.832 129 E CB 0.815 30.453 29.700 -0.103 0.000 0.790 129 E HN 0.801 nan 8.360 nan 0.000 0.465 130 E N -1.494 118.642 120.200 -0.106 0.000 2.429 130 E HA 0.477 4.827 4.350 0.001 0.000 0.280 130 E C -1.270 175.144 176.600 -0.310 0.000 1.068 130 E CA -0.699 55.691 56.400 -0.017 0.000 0.837 130 E CB 0.997 30.717 29.700 0.034 0.000 1.357 130 E HN -0.178 nan 8.360 nan 0.000 0.455 131 F N 0.429 120.345 119.950 -0.057 0.000 2.576 131 F HA 0.511 5.039 4.527 0.001 0.000 0.313 131 F C -2.334 173.500 175.800 0.057 0.000 1.078 131 F CA -1.942 56.007 58.000 -0.085 0.000 0.921 131 F CB 2.516 41.403 39.000 -0.189 0.000 1.232 131 F HN 0.263 nan 8.300 nan 0.000 0.459 132 P HA 0.240 nan 4.420 nan 0.000 0.276 132 P C -1.044 176.248 177.300 -0.013 0.000 1.244 132 P CA -0.249 62.794 63.100 -0.094 0.000 0.801 132 P CB 1.794 33.420 31.700 -0.124 0.000 1.006 133 V N 1.629 121.485 119.914 -0.096 0.000 2.435 133 V HA 0.392 4.512 4.120 0.001 0.000 0.290 133 V C 0.856 176.995 176.094 0.074 0.000 1.030 133 V CA -0.254 62.091 62.300 0.074 0.000 0.881 133 V CB 1.384 33.310 31.823 0.172 0.000 0.983 133 V HN 0.753 nan 8.190 nan 0.000 0.445 134 T N 1.512 116.084 114.554 0.029 0.000 2.824 134 T HA 0.475 4.826 4.350 0.001 0.000 0.280 134 T C -0.569 174.005 174.700 -0.210 0.000 0.995 134 T CA -0.554 61.480 62.100 -0.111 0.000 1.009 134 T CB 0.954 69.753 68.868 -0.116 0.000 0.955 134 T HN 0.745 nan 8.240 nan 0.000 0.452 135 H N 3.267 121.939 119.070 -0.663 0.000 2.668 135 H HA 0.480 5.036 4.556 0.001 0.000 0.303 135 H C 0.228 175.399 175.328 -0.261 0.000 1.074 135 H CA -0.413 55.231 56.048 -0.673 0.000 1.406 135 H CB 0.569 29.596 29.762 -1.225 0.000 1.442 135 H HN 0.702 nan 8.280 nan 0.000 0.482 136 V N 5.102 124.631 119.914 -0.642 0.000 2.432 136 V HA 0.322 4.442 4.120 0.001 0.000 0.271 136 V C -0.256 175.579 176.094 -0.432 0.000 1.046 136 V CA -0.681 61.399 62.300 -0.367 0.000 0.945 136 V CB 0.429 32.163 31.823 -0.149 0.000 0.992 136 V HN 0.622 nan 8.190 nan 0.000 0.471 137 L N 5.367 126.473 121.223 -0.196 0.000 2.255 137 L HA 0.425 4.765 4.340 0.001 0.000 0.289 137 L C 0.869 177.672 176.870 -0.110 0.000 1.046 137 L CA 0.045 54.821 54.840 -0.107 0.000 0.816 137 L CB 1.130 43.175 42.059 -0.022 0.000 1.197 137 L HN 0.768 nan 8.230 nan 0.000 0.427 138 S N 3.209 118.844 115.700 -0.108 0.000 2.576 138 S HA 0.260 4.730 4.470 0.001 0.000 0.272 138 S C 0.506 175.008 174.600 -0.164 0.000 1.352 138 S CA -0.512 57.571 58.200 -0.195 0.000 1.021 138 S CB 0.570 63.658 63.200 -0.187 0.000 0.887 138 S HN 0.361 nan 8.310 nan 0.000 0.542 139 I N 2.518 122.963 120.570 -0.208 0.000 2.845 139 I HA 0.073 4.244 4.170 0.001 0.000 0.290 139 I C 0.636 176.688 176.117 -0.109 0.000 1.202 139 I CA 0.199 61.408 61.300 -0.152 0.000 1.406 139 I CB -0.685 37.212 38.000 -0.171 0.000 1.383 139 I HN 0.651 nan 8.210 nan 0.000 0.549 140 A N 5.637 128.410 122.820 -0.079 0.000 2.525 140 A HA 0.578 4.898 4.320 0.001 0.000 0.291 140 A C -1.139 176.417 177.584 -0.046 0.000 1.268 140 A CA -0.773 51.230 52.037 -0.057 0.000 0.712 140 A CB 0.836 19.807 19.000 -0.048 0.000 1.320 140 A HN 0.531 nan 8.150 nan 0.000 0.456 141 D N 0.522 120.901 120.400 -0.036 0.000 2.339 141 D HA 0.411 5.051 4.640 0.001 0.000 0.245 141 D C -1.727 174.554 176.300 -0.031 0.000 1.115 141 D CA -0.973 53.009 54.000 -0.030 0.000 0.917 141 D CB 0.704 41.490 40.800 -0.024 0.000 1.192 141 D HN 0.123 nan 8.370 nan 0.000 0.428 142 P HA -0.224 nan 4.420 nan 0.000 0.219 142 P C 0.871 178.150 177.300 -0.035 0.000 1.153 142 P CA 1.320 64.403 63.100 -0.029 0.000 0.865 142 P CB 0.312 32.000 31.700 -0.020 0.000 0.788 143 E N -2.098 118.083 120.200 -0.032 0.000 2.340 143 E HA 0.042 4.392 4.350 0.001 0.000 0.194 143 E C 1.618 178.196 176.600 -0.036 0.000 0.996 143 E CA 0.273 56.653 56.400 -0.034 0.000 0.869 143 E CB -0.640 29.043 29.700 -0.027 0.000 0.835 143 E HN 0.259 nan 8.360 nan 0.000 0.493 144 N N -0.004 118.676 118.700 -0.033 0.000 2.331 144 N HA -0.020 4.720 4.740 0.001 0.000 0.180 144 N C 1.701 177.189 175.510 -0.036 0.000 1.019 144 N CA 0.757 53.789 53.050 -0.030 0.000 0.881 144 N CB 0.081 38.553 38.487 -0.026 0.000 0.972 144 N HN 0.256 nan 8.380 nan 0.000 0.435 145 M N 0.048 119.619 119.600 -0.047 0.000 2.357 145 M HA 0.107 4.587 4.480 0.001 0.000 0.266 145 M C 2.252 178.498 176.300 -0.090 0.000 1.095 145 M CA 0.507 55.771 55.300 -0.060 0.000 1.156 145 M CB -0.053 32.509 32.600 -0.064 0.000 1.365 145 M HN 0.024 nan 8.290 nan 0.000 0.447 146 A N 0.365 123.132 122.820 -0.088 0.000 1.972 146 A HA -0.209 4.111 4.320 0.001 0.000 0.219 146 A C 1.964 179.481 177.584 -0.112 0.000 1.169 146 A CA 1.964 53.934 52.037 -0.111 0.000 0.635 146 A CB -0.667 18.284 19.000 -0.082 0.000 0.810 146 A HN 0.569 nan 8.150 nan 0.000 0.446 147 E N -0.434 119.720 120.200 -0.076 0.000 2.033 147 E HA -0.192 4.158 4.350 0.001 0.000 0.189 147 E C 2.005 178.570 176.600 -0.058 0.000 0.979 147 E CA 0.963 57.327 56.400 -0.060 0.000 0.802 147 E CB -0.227 29.451 29.700 -0.037 0.000 0.763 147 E HN 0.696 nan 8.360 nan 0.000 0.449 148 E N -0.252 119.923 120.200 -0.041 0.000 2.219 148 E HA -0.224 4.126 4.350 0.001 0.000 0.198 148 E C 1.683 178.272 176.600 -0.018 0.000 0.998 148 E CA 0.932 57.330 56.400 -0.004 0.000 0.818 148 E CB -0.045 29.681 29.700 0.044 0.000 0.741 148 E HN 0.345 nan 8.360 nan 0.000 0.477 149 A N 0.680 123.415 122.820 -0.142 0.000 1.935 149 A HA 0.117 4.438 4.320 0.001 0.000 0.214 149 A C 2.315 179.740 177.584 -0.265 0.000 1.178 149 A CA 1.083 52.873 52.037 -0.411 0.000 0.640 149 A CB -0.381 18.158 19.000 -0.769 0.000 0.825 149 A HN 0.357 nan 8.150 nan 0.000 0.447 150 A N -0.055 122.669 122.820 -0.159 0.000 1.940 150 A HA -0.086 4.234 4.320 0.001 0.000 0.219 150 A C 2.424 179.999 177.584 -0.014 0.000 1.176 150 A CA 2.156 54.144 52.037 -0.081 0.000 0.631 150 A CB -0.789 18.173 19.000 -0.064 0.000 0.814 150 A HN 0.448 nan 8.150 nan 0.000 0.446 151 S N -0.074 115.622 115.700 -0.007 0.000 2.335 151 S HA -0.144 4.326 4.470 0.001 0.000 0.216 151 S C 2.007 176.644 174.600 0.061 0.000 1.032 151 S CA 1.725 59.935 58.200 0.017 0.000 1.000 151 S CB -0.382 62.818 63.200 -0.000 0.000 0.928 151 S HN 0.501 nan 8.310 nan 0.000 0.434 152 M N 1.145 120.793 119.600 0.079 0.000 2.267 152 M HA -0.035 4.446 4.480 0.001 0.000 0.263 152 M C 1.918 178.435 176.300 0.361 0.000 1.063 152 M CA 0.908 56.314 55.300 0.177 0.000 1.090 152 M CB -1.426 31.139 32.600 -0.058 0.000 1.392 152 M HN 0.227 nan 8.290 nan 0.000 0.422 153 I N 0.975 121.744 120.570 0.332 0.000 2.151 153 I HA -0.263 3.908 4.170 0.001 0.000 0.243 153 I C 1.813 178.027 176.117 0.162 0.000 1.080 153 I CA 1.441 62.913 61.300 0.287 0.000 1.339 153 I CB -1.156 36.931 38.000 0.145 0.000 1.039 153 I HN 0.510 nan 8.210 nan 0.000 0.409 154 Q N 1.349 121.213 119.800 0.106 0.000 2.642 154 Q HA 0.089 4.429 4.340 0.001 0.000 0.319 154 Q C 0.219 176.248 176.000 0.048 0.000 1.030 154 Q CA 0.134 55.974 55.803 0.061 0.000 0.943 154 Q CB -0.063 28.699 28.738 0.040 0.000 1.323 154 Q HN 0.414 nan 8.270 nan 0.000 0.419 155 K N -0.569 119.859 120.400 0.048 0.000 2.614 155 K HA 0.217 4.537 4.320 0.001 0.000 0.190 155 K C 0.556 177.080 176.600 -0.126 0.000 1.255 155 K CA 0.188 56.467 56.287 -0.013 0.000 1.099 155 K CB 1.405 33.923 32.500 0.029 0.000 1.023 155 K HN 0.425 nan 8.250 nan 0.000 0.576 156 G N 0.973 109.726 108.800 -0.078 0.000 2.279 156 G HA2 -0.311 3.650 3.960 0.001 0.000 0.223 156 G HA3 -0.311 3.650 3.960 0.001 0.000 0.223 156 G C -0.070 174.721 174.900 -0.182 0.000 1.015 156 G CA -0.413 44.604 45.100 -0.137 0.000 0.621 156 G HN 0.231 nan 8.290 nan 0.000 0.506 157 Y N 1.170 121.396 120.300 -0.123 0.000 2.881 157 Y HA 0.208 4.758 4.550 0.001 0.000 0.335 157 Y C 1.766 177.572 175.900 -0.156 0.000 1.263 157 Y CA 1.463 59.420 58.100 -0.238 0.000 1.572 157 Y CB 0.620 38.843 38.460 -0.395 0.000 1.237 157 Y HN 0.297 nan 8.280 nan 0.000 0.568 158 Q N 1.567 121.343 119.800 -0.041 0.000 2.350 158 Q HA 0.117 4.458 4.340 0.001 0.000 0.225 158 Q C -0.482 175.527 176.000 0.014 0.000 0.878 158 Q CA 0.265 56.068 55.803 0.001 0.000 0.935 158 Q CB 0.725 29.433 28.738 -0.049 0.000 1.099 158 Q HN 0.615 nan 8.270 nan 0.000 0.527 159 S N -1.304 114.324 115.700 -0.120 0.000 2.541 159 S HA 0.749 5.219 4.470 0.001 0.000 0.271 159 S C -0.986 173.417 174.600 -0.329 0.000 1.133 159 S CA -0.857 57.292 58.200 -0.085 0.000 0.876 159 S CB 0.978 64.127 63.200 -0.085 0.000 1.105 159 S HN 0.017 nan 8.310 nan 0.000 0.470 160 F N 0.834 120.729 119.950 -0.092 0.000 2.593 160 F HA 0.706 5.233 4.527 0.001 0.000 0.320 160 F C 0.090 175.791 175.800 -0.164 0.000 1.060 160 F CA -0.806 57.125 58.000 -0.114 0.000 0.940 160 F CB 2.209 41.155 39.000 -0.090 0.000 1.268 160 F HN 0.749 nan 8.300 nan 0.000 0.475 161 K N 2.605 123.019 120.400 0.022 0.000 2.502 161 K HA 0.557 4.878 4.320 0.001 0.000 0.254 161 K C -1.490 175.078 176.600 -0.054 0.000 0.947 161 K CA -0.428 55.818 56.287 -0.067 0.000 0.834 161 K CB 1.015 33.465 32.500 -0.085 0.000 1.112 161 K HN 0.708 nan 8.250 nan 0.000 0.427 162 M N 4.239 123.797 119.600 -0.071 0.000 2.108 162 M HA 0.262 4.742 4.480 0.001 0.000 0.354 162 M C -0.273 175.966 176.300 -0.102 0.000 1.229 162 M CA -0.613 54.641 55.300 -0.078 0.000 1.081 162 M CB 1.225 33.782 32.600 -0.072 0.000 1.606 162 M HN 0.235 nan 8.290 nan 0.000 0.467 163 K N 3.878 124.204 120.400 -0.123 0.000 2.276 163 K HA 0.456 4.776 4.320 0.001 0.000 0.285 163 K C -0.284 176.225 176.600 -0.153 0.000 1.062 163 K CA -0.133 56.056 56.287 -0.162 0.000 0.918 163 K CB 0.915 33.280 32.500 -0.226 0.000 1.055 163 K HN 0.643 nan 8.250 nan 0.000 0.477 164 V N -1.479 118.339 119.914 -0.161 0.000 3.204 164 V HA 0.900 5.021 4.120 0.001 0.000 0.308 164 V C 0.563 176.561 176.094 -0.160 0.000 1.324 164 V CA -0.157 62.072 62.300 -0.118 0.000 1.042 164 V CB 1.283 33.078 31.823 -0.047 0.000 1.167 164 V HN 0.799 nan 8.190 nan 0.000 0.478 165 G N -0.572 108.181 108.800 -0.078 0.000 2.155 165 G HA2 -0.110 3.851 3.960 0.001 0.000 0.135 165 G HA3 -0.110 3.851 3.960 0.001 0.000 0.135 165 G C 0.462 175.371 174.900 0.014 0.000 1.023 165 G CA 0.923 45.970 45.100 -0.088 0.000 0.688 165 G HN 1.847 nan 8.290 nan 0.000 0.499 166 T N -3.140 111.442 114.554 0.047 0.000 3.046 166 T HA 0.343 4.694 4.350 0.001 0.000 0.242 166 T C 0.628 175.375 174.700 0.079 0.000 1.018 166 T CA 1.196 63.317 62.100 0.035 0.000 1.131 166 T CB 0.473 69.341 68.868 0.001 0.000 0.904 166 T HN 0.921 nan 8.240 nan 0.000 0.459 167 N N -0.050 118.717 118.700 0.112 0.000 2.648 167 N HA 0.279 5.020 4.740 0.001 0.000 0.272 167 N C 0.456 176.036 175.510 0.116 0.000 1.118 167 N CA -0.003 53.108 53.050 0.100 0.000 0.973 167 N CB 1.794 40.309 38.487 0.047 0.000 1.565 167 N HN -0.035 nan 8.380 nan 0.000 0.542 168 V N 4.451 124.417 119.914 0.086 0.000 2.252 168 V HA -0.298 3.822 4.120 0.001 0.000 0.255 168 V C 2.052 178.123 176.094 -0.039 0.000 1.071 168 V CA 2.530 64.796 62.300 -0.058 0.000 1.050 168 V CB -0.368 31.264 31.823 -0.319 0.000 0.654 168 V HN 0.826 nan 8.190 nan 0.000 0.448 169 K N -1.002 119.377 120.400 -0.036 0.000 2.209 169 K HA -0.186 4.134 4.320 0.001 0.000 0.204 169 K C 2.049 178.650 176.600 0.002 0.000 1.048 169 K CA 1.963 58.234 56.287 -0.026 0.000 0.940 169 K CB -0.079 32.406 32.500 -0.025 0.000 0.729 169 K HN 0.748 nan 8.250 nan 0.000 0.451 170 E N 0.031 120.244 120.200 0.021 0.000 2.075 170 E HA -0.107 4.243 4.350 0.001 0.000 0.190 170 E C 1.575 178.200 176.600 0.043 0.000 0.969 170 E CA 0.699 57.114 56.400 0.025 0.000 0.815 170 E CB 0.060 29.774 29.700 0.023 0.000 0.776 170 E HN 0.264 nan 8.360 nan 0.000 0.457 171 D N 1.065 121.518 120.400 0.088 0.000 2.133 171 D HA -0.170 4.471 4.640 0.001 0.000 0.195 171 D C 2.276 178.637 176.300 0.101 0.000 0.997 171 D CA 1.762 55.835 54.000 0.122 0.000 0.840 171 D CB -0.329 40.636 40.800 0.273 0.000 0.947 171 D HN 0.181 nan 8.370 nan 0.000 0.452 172 V N -0.140 119.827 119.914 0.088 0.000 2.343 172 V HA -0.222 3.898 4.120 0.001 0.000 0.247 172 V C 2.356 178.469 176.094 0.032 0.000 1.051 172 V CA 1.633 63.966 62.300 0.056 0.000 1.036 172 V CB -0.709 31.127 31.823 0.020 0.000 0.654 172 V HN -0.090 nan 8.190 nan 0.000 0.451 173 K N 1.018 121.431 120.400 0.023 0.000 2.074 173 K HA -0.173 4.148 4.320 0.001 0.000 0.209 173 K C 2.314 178.915 176.600 0.001 0.000 1.048 173 K CA 2.026 58.319 56.287 0.010 0.000 0.926 173 K CB -0.441 32.062 32.500 0.006 0.000 0.713 173 K HN 0.596 nan 8.250 nan 0.000 0.444 174 R N -0.246 120.255 120.500 0.001 0.000 2.115 174 R HA 0.009 4.350 4.340 0.001 0.000 0.226 174 R C 2.109 178.393 176.300 -0.027 0.000 1.100 174 R CA 1.083 57.174 56.100 -0.016 0.000 0.980 174 R CB -0.319 29.970 30.300 -0.018 0.000 0.875 174 R HN 0.137 nan 8.270 nan 0.000 0.445 175 I N 1.747 122.309 120.570 -0.014 0.000 2.072 175 I HA -0.232 3.938 4.170 0.001 0.000 0.235 175 I C 1.922 178.007 176.117 -0.052 0.000 1.058 175 I CA 1.678 62.959 61.300 -0.033 0.000 1.320 175 I CB -1.329 36.661 38.000 -0.016 0.000 1.047 175 I HN 0.111 nan 8.210 nan 0.000 0.397 176 E N 1.923 122.100 120.200 -0.039 0.000 2.267 176 E HA -0.127 4.223 4.350 0.001 0.000 0.197 176 E C 2.122 178.700 176.600 -0.036 0.000 0.998 176 E CA 1.222 57.599 56.400 -0.039 0.000 0.830 176 E CB -0.732 28.976 29.700 0.014 0.000 0.751 176 E HN 0.504 nan 8.360 nan 0.000 0.491 177 A N 1.292 124.091 122.820 -0.035 0.000 1.851 177 A HA -0.196 4.124 4.320 0.001 0.000 0.216 177 A C 2.533 180.078 177.584 -0.066 0.000 1.195 177 A CA 2.446 54.458 52.037 -0.042 0.000 0.622 177 A CB -1.151 17.825 19.000 -0.039 0.000 0.831 177 A HN 0.346 nan 8.150 nan 0.000 0.444 178 V N -1.410 118.451 119.914 -0.088 0.000 2.548 178 V HA -0.103 4.017 4.120 0.001 0.000 0.249 178 V C 2.370 178.386 176.094 -0.130 0.000 1.055 178 V CA 2.419 64.640 62.300 -0.133 0.000 1.065 178 V CB -0.900 30.818 31.823 -0.175 0.000 0.681 178 V HN 0.519 nan 8.190 nan 0.000 0.462 179 R N 1.258 121.697 120.500 -0.101 0.000 2.073 179 R HA -0.146 4.194 4.340 0.001 0.000 0.234 179 R C 2.347 178.606 176.300 -0.069 0.000 1.134 179 R CA 2.275 58.322 56.100 -0.089 0.000 0.952 179 R CB -1.134 29.113 30.300 -0.089 0.000 0.850 179 R HN 0.670 nan 8.270 nan 0.000 0.433 180 E N 0.402 120.569 120.200 -0.055 0.000 2.077 180 E HA -0.216 4.134 4.350 0.001 0.000 0.193 180 E C 1.894 178.467 176.600 -0.046 0.000 0.989 180 E CA 1.301 57.679 56.400 -0.036 0.000 0.800 180 E CB -0.200 29.486 29.700 -0.023 0.000 0.746 180 E HN 0.189 nan 8.360 nan 0.000 0.452 181 R N 0.708 121.170 120.500 -0.064 0.000 2.127 181 R HA -0.111 4.229 4.340 0.001 0.000 0.238 181 R C 2.094 178.345 176.300 -0.082 0.000 1.134 181 R CA 1.725 57.781 56.100 -0.074 0.000 0.975 181 R CB -0.510 29.733 30.300 -0.095 0.000 0.865 181 R HN 0.222 nan 8.270 nan 0.000 0.447 182 V N -3.097 116.759 119.914 -0.097 0.000 3.427 182 V HA 0.546 4.667 4.120 0.001 0.000 0.305 182 V C 0.796 176.866 176.094 -0.041 0.000 1.412 182 V CA 0.073 62.321 62.300 -0.087 0.000 1.086 182 V CB -0.358 31.375 31.823 -0.149 0.000 0.964 182 V HN 0.496 nan 8.190 nan 0.000 0.439 183 G N 1.911 110.691 108.800 -0.034 0.000 2.693 183 G HA2 -0.235 3.726 3.960 0.001 0.000 0.226 183 G HA3 -0.235 3.726 3.960 0.001 0.000 0.226 183 G C -0.184 174.707 174.900 -0.014 0.000 1.354 183 G CA 0.140 45.231 45.100 -0.016 0.000 0.873 183 G HN 0.527 nan 8.290 nan 0.000 0.562 184 N N 0.941 119.639 118.700 -0.003 0.000 2.401 184 N HA 0.236 4.976 4.740 0.001 0.000 0.264 184 N C -0.132 175.382 175.510 0.007 0.000 1.238 184 N CA 0.074 53.123 53.050 -0.002 0.000 0.889 184 N CB 0.933 39.420 38.487 0.000 0.000 1.196 184 N HN 0.514 nan 8.380 nan 0.000 0.511 185 D N -0.115 120.294 120.400 0.014 0.000 2.502 185 D HA 0.166 4.806 4.640 0.001 0.000 0.232 185 D C 0.272 176.594 176.300 0.036 0.000 1.137 185 D CA -0.002 54.013 54.000 0.024 0.000 0.827 185 D CB 1.687 42.503 40.800 0.027 0.000 1.141 185 D HN 0.089 nan 8.370 nan 0.000 0.517 186 I N 2.331 122.927 120.570 0.044 0.000 2.352 186 I HA 0.240 4.410 4.170 0.001 0.000 0.290 186 I C 0.826 176.981 176.117 0.062 0.000 1.036 186 I CA -0.830 60.522 61.300 0.086 0.000 1.336 186 I CB 0.499 38.571 38.000 0.120 0.000 1.407 186 I HN -0.183 nan 8.210 nan 0.000 0.497 187 A N 8.349 131.201 122.820 0.053 0.000 2.477 187 A HA 0.552 4.873 4.320 0.001 0.000 0.246 187 A C -0.022 177.557 177.584 -0.008 0.000 1.078 187 A CA 0.021 52.054 52.037 -0.007 0.000 0.770 187 A CB 0.137 19.114 19.000 -0.039 0.000 1.011 187 A HN 0.666 nan 8.150 nan 0.000 0.494 188 I N 2.659 123.176 120.570 -0.088 0.000 2.499 188 I HA 0.435 4.606 4.170 0.001 0.000 0.288 188 I C 0.059 176.022 176.117 -0.256 0.000 1.048 188 I CA -0.576 60.657 61.300 -0.111 0.000 1.062 188 I CB 1.999 39.951 38.000 -0.081 0.000 1.238 188 I HN 0.916 nan 8.210 nan 0.000 0.426 189 R N 5.358 125.656 120.500 -0.337 0.000 2.670 189 R HA 0.838 5.179 4.340 0.001 0.000 0.289 189 R C -1.708 174.417 176.300 -0.292 0.000 0.965 189 R CA -0.771 55.003 56.100 -0.543 0.000 0.899 189 R CB 2.646 32.326 30.300 -1.033 0.000 1.173 189 R HN 0.390 nan 8.270 nan 0.000 0.456 190 V N 1.660 121.445 119.914 -0.215 0.000 2.555 190 V HA 0.429 4.550 4.120 0.001 0.000 0.302 190 V C -1.492 174.546 176.094 -0.094 0.000 1.038 190 V CA -0.548 61.680 62.300 -0.121 0.000 0.887 190 V CB 1.797 33.577 31.823 -0.072 0.000 0.991 190 V HN 0.938 nan 8.190 nan 0.000 0.434 191 D N 3.964 124.298 120.400 -0.110 0.000 2.425 191 D HA 0.294 4.935 4.640 0.001 0.000 0.240 191 D C 0.148 176.320 176.300 -0.213 0.000 1.080 191 D CA 0.024 53.957 54.000 -0.110 0.000 0.836 191 D CB 2.120 42.888 40.800 -0.053 0.000 1.125 191 D HN 0.525 nan 8.370 nan 0.000 0.525 192 V N 3.337 123.057 119.914 -0.322 0.000 3.621 192 V HA 0.177 4.298 4.120 0.001 0.000 0.285 192 V C 0.197 176.110 176.094 -0.302 0.000 1.346 192 V CA -0.032 61.994 62.300 -0.457 0.000 1.104 192 V CB -1.004 30.202 31.823 -1.029 0.000 0.913 192 V HN 0.706 nan 8.190 nan 0.000 0.432 193 N N 2.268 120.862 118.700 -0.176 0.000 2.689 193 N HA -0.286 4.454 4.740 0.001 0.000 0.263 193 N C 0.662 176.182 175.510 0.017 0.000 0.987 193 N CA 1.422 54.444 53.050 -0.046 0.000 0.782 193 N CB -1.031 37.378 38.487 -0.129 0.000 0.903 193 N HN 0.933 nan 8.380 nan 0.000 0.547 194 Q N -4.030 115.748 119.800 -0.036 0.000 2.324 194 Q HA -0.270 4.071 4.340 0.001 0.000 0.200 194 Q C 1.511 177.504 176.000 -0.012 0.000 0.645 194 Q CA 1.472 57.276 55.803 0.001 0.000 1.377 194 Q CB -1.811 26.969 28.738 0.070 0.000 1.486 194 Q HN 0.636 nan 8.270 nan 0.000 0.796 195 G N 0.170 108.912 108.800 -0.098 0.000 2.507 195 G HA2 -0.242 3.719 3.960 0.001 0.000 0.221 195 G HA3 -0.242 3.719 3.960 0.001 0.000 0.221 195 G C 0.546 175.524 174.900 0.129 0.000 1.119 195 G CA 1.170 46.241 45.100 -0.049 0.000 0.751 195 G HN 0.440 nan 8.290 nan 0.000 0.574 196 W N 0.055 121.372 121.300 0.029 0.000 3.256 196 W HA 0.354 5.014 4.660 0.001 0.000 0.269 196 W C 1.565 178.103 176.519 0.030 0.000 1.310 196 W CA -0.166 57.195 57.345 0.026 0.000 1.673 196 W CB -0.059 29.417 29.460 0.027 0.000 1.115 196 W HN 0.187 nan 8.180 nan 0.000 0.686 197 K N -0.570 119.957 120.400 0.212 0.000 9.127 197 K HA -0.342 3.978 4.320 0.001 0.000 0.501 197 K C 0.302 176.979 176.600 0.129 0.000 0.371 197 K CA 2.432 58.803 56.287 0.138 0.000 1.951 197 K CB -1.588 30.980 32.500 0.114 0.000 0.721 197 K HN 0.431 nan 8.250 nan 0.000 1.023 198 N N -1.852 116.934 118.700 0.144 0.000 2.701 198 N HA 0.476 5.216 4.740 0.001 0.000 0.290 198 N C 0.459 176.056 175.510 0.145 0.000 1.338 198 N CA -0.173 52.948 53.050 0.119 0.000 0.799 198 N CB 1.238 39.773 38.487 0.080 0.000 1.491 198 N HN 0.002 nan 8.380 nan 0.000 0.540 199 S N -1.542 114.238 115.700 0.134 0.000 2.428 199 S HA -0.030 4.440 4.470 0.001 0.000 0.230 199 S C 1.764 176.440 174.600 0.126 0.000 1.014 199 S CA 0.645 58.944 58.200 0.166 0.000 0.957 199 S CB -0.938 62.421 63.200 0.264 0.000 0.784 199 S HN 0.735 nan 8.310 nan 0.000 0.499 200 A N 3.382 126.256 122.820 0.090 0.000 1.845 200 A HA -0.117 4.204 4.320 0.001 0.000 0.215 200 A C 2.187 179.773 177.584 0.004 0.000 1.195 200 A CA 1.713 53.779 52.037 0.049 0.000 0.616 200 A CB -1.032 17.987 19.000 0.031 0.000 0.832 200 A HN 0.559 nan 8.150 nan 0.000 0.443 201 N N -0.132 118.569 118.700 0.002 0.000 2.104 201 N HA -0.119 4.622 4.740 0.001 0.000 0.190 201 N C 1.772 177.165 175.510 -0.195 0.000 1.024 201 N CA 1.979 54.979 53.050 -0.084 0.000 0.853 201 N CB -1.072 37.401 38.487 -0.022 0.000 1.008 201 N HN 0.509 nan 8.380 nan 0.000 0.424 202 T N 2.061 116.612 114.554 -0.006 0.000 2.652 202 T HA -0.033 4.317 4.350 0.001 0.000 0.267 202 T C 2.140 176.802 174.700 -0.064 0.000 1.039 202 T CA 0.775 62.918 62.100 0.071 0.000 1.153 202 T CB -0.341 68.731 68.868 0.340 0.000 0.863 202 T HN 0.142 nan 8.240 nan 0.000 0.428 203 L N 0.624 121.841 121.223 -0.009 0.000 2.131 203 L HA -0.115 4.226 4.340 0.001 0.000 0.210 203 L C 2.869 179.692 176.870 -0.079 0.000 1.092 203 L CA 1.101 55.928 54.840 -0.021 0.000 0.759 203 L CB -0.898 41.165 42.059 0.007 0.000 0.903 203 L HN 0.311 nan 8.230 nan 0.000 0.435 204 T N -0.257 114.223 114.554 -0.124 0.000 2.737 204 T HA -0.131 4.219 4.350 0.001 0.000 0.265 204 T C 2.044 176.614 174.700 -0.216 0.000 1.038 204 T CA 1.254 63.268 62.100 -0.144 0.000 1.144 204 T CB -0.195 68.585 68.868 -0.146 0.000 0.866 204 T HN 0.440 nan 8.240 nan 0.000 0.434 205 A N 1.487 124.066 122.820 -0.402 0.000 1.883 205 A HA -0.012 4.309 4.320 0.001 0.000 0.217 205 A C 2.296 179.720 177.584 -0.267 0.000 1.186 205 A CA 1.251 52.966 52.037 -0.536 0.000 0.624 205 A CB -0.944 17.218 19.000 -1.397 0.000 0.822 205 A HN 0.480 nan 8.150 nan 0.000 0.444 206 L N -0.149 120.971 121.223 -0.172 0.000 2.127 206 L HA -0.235 4.106 4.340 0.001 0.000 0.211 206 L C 2.791 179.661 176.870 -0.001 0.000 1.089 206 L CA 1.737 56.569 54.840 -0.014 0.000 0.757 206 L CB -0.610 41.474 42.059 0.043 0.000 0.899 206 L HN 0.602 nan 8.230 nan 0.000 0.434 207 R N -0.610 119.874 120.500 -0.026 0.000 2.189 207 R HA -0.048 4.292 4.340 0.001 0.000 0.223 207 R C 1.618 177.932 176.300 0.023 0.000 1.092 207 R CA 1.370 57.469 56.100 -0.002 0.000 0.989 207 R CB -0.516 29.771 30.300 -0.020 0.000 0.876 207 R HN 0.118 nan 8.270 nan 0.000 0.457 208 S N 0.567 116.274 115.700 0.011 0.000 2.605 208 S HA 0.265 4.735 4.470 0.001 0.000 0.217 208 S C 0.994 175.677 174.600 0.139 0.000 0.958 208 S CA 0.040 58.277 58.200 0.062 0.000 0.919 208 S CB 0.260 63.464 63.200 0.007 0.000 0.780 208 S HN 0.277 nan 8.310 nan 0.000 0.507 209 L N 0.004 121.282 121.223 0.091 0.000 3.184 209 L HA 0.337 4.678 4.340 0.001 0.000 0.283 209 L C 2.020 178.899 176.870 0.014 0.000 1.218 209 L CA -0.077 54.778 54.840 0.025 0.000 1.028 209 L CB 0.058 42.139 42.059 0.037 0.000 1.400 209 L HN 0.333 nan 8.230 nan 0.000 0.591 210 G N 0.292 109.158 108.800 0.112 0.000 2.422 210 G HA2 -0.233 3.728 3.960 0.001 0.000 0.218 210 G HA3 -0.233 3.728 3.960 0.001 0.000 0.218 210 G C 1.406 176.362 174.900 0.093 0.000 1.140 210 G CA 0.786 45.942 45.100 0.093 0.000 0.775 210 G HN 0.570 nan 8.290 nan 0.000 0.545 211 H N 0.055 119.129 119.070 0.006 0.000 2.548 211 H HA 0.211 4.768 4.556 0.001 0.000 0.268 211 H C 1.945 177.275 175.328 0.003 0.000 0.975 211 H CA 0.030 56.080 56.048 0.004 0.000 1.195 211 H CB -0.457 29.305 29.762 -0.001 0.000 1.397 211 H HN 0.323 nan 8.280 nan 0.000 0.572 212 L N 0.456 121.372 121.223 -0.512 0.000 2.599 212 L HA -0.013 4.327 4.340 0.001 0.000 0.230 212 L C 0.604 177.382 176.870 -0.153 0.000 1.141 212 L CA 0.202 54.825 54.840 -0.361 0.000 0.877 212 L CB -0.456 41.373 42.059 -0.382 0.000 1.009 212 L HN 0.244 nan 8.230 nan 0.000 0.447 213 N N 1.451 120.096 118.700 -0.091 0.000 2.708 213 N HA -0.190 4.550 4.740 0.001 0.000 0.255 213 N C -0.517 174.964 175.510 -0.049 0.000 1.046 213 N CA 0.303 53.328 53.050 -0.043 0.000 0.715 213 N CB -0.632 37.837 38.487 -0.030 0.000 0.895 213 N HN 0.126 nan 8.380 nan 0.000 0.545 214 I N 1.415 121.958 120.570 -0.046 0.000 2.441 214 I HA 0.066 4.236 4.170 0.001 0.000 0.287 214 I C 1.730 177.821 176.117 -0.043 0.000 1.049 214 I CA -0.241 61.021 61.300 -0.063 0.000 1.381 214 I CB 0.806 38.781 38.000 -0.043 0.000 1.409 214 I HN 0.075 nan 8.210 nan 0.000 0.523 215 D N 4.570 124.891 120.400 -0.132 0.000 2.123 215 D HA -0.101 4.539 4.640 0.001 0.000 0.196 215 D C -0.429 175.975 176.300 0.173 0.000 0.992 215 D CA 1.987 55.942 54.000 -0.076 0.000 0.833 215 D CB 0.061 40.622 40.800 -0.398 0.000 0.954 215 D HN 0.597 nan 8.370 nan 0.000 0.455 216 W N -1.667 119.641 121.300 0.014 0.000 3.319 216 W HA 0.472 5.133 4.660 0.001 0.000 0.300 216 W C -2.087 174.436 176.519 0.007 0.000 1.244 216 W CA -1.092 56.260 57.345 0.013 0.000 1.193 216 W CB -0.051 29.413 29.460 0.007 0.000 1.359 216 W HN -0.377 nan 8.180 nan 0.000 0.568 217 I N 2.528 123.293 120.570 0.326 0.000 2.336 217 I HA 0.303 4.474 4.170 0.001 0.000 0.292 217 I C 0.081 176.327 176.117 0.215 0.000 0.991 217 I CA -0.785 60.631 61.300 0.193 0.000 1.227 217 I CB 1.595 39.691 38.000 0.160 0.000 1.366 217 I HN 0.522 nan 8.210 nan 0.000 0.466 218 E N 4.718 125.003 120.200 0.142 0.000 2.175 218 E HA 0.260 4.610 4.350 0.001 0.000 0.278 218 E C -0.481 176.108 176.600 -0.019 0.000 0.969 218 E CA -0.852 55.612 56.400 0.105 0.000 0.796 218 E CB 0.834 30.629 29.700 0.157 0.000 1.104 218 E HN 0.434 nan 8.360 nan 0.000 0.395 219 Q N 3.873 123.671 119.800 -0.004 0.000 2.394 219 Q HA -0.167 4.174 4.340 0.001 0.000 0.369 219 Q C -1.973 173.979 176.000 -0.079 0.000 1.312 219 Q CA 0.672 56.464 55.803 -0.019 0.000 1.155 219 Q CB -0.120 28.618 28.738 0.000 0.000 1.311 219 Q HN 0.468 nan 8.270 nan 0.000 0.315 220 P HA -0.053 nan 4.420 nan 0.000 0.224 220 P C 0.459 177.765 177.300 0.011 0.000 1.157 220 P CA 1.237 64.256 63.100 -0.135 0.000 0.799 220 P CB 0.145 31.885 31.700 0.066 0.000 0.809 221 V N -1.966 117.984 119.914 0.060 0.000 3.193 221 V HA 0.466 4.587 4.120 0.001 0.000 0.320 221 V C 0.710 176.838 176.094 0.057 0.000 1.112 221 V CA -1.873 60.478 62.300 0.086 0.000 1.026 221 V CB 0.959 32.843 31.823 0.102 0.000 1.128 221 V HN -0.018 nan 8.190 nan 0.000 0.452 222 I N 0.148 120.754 120.570 0.061 0.000 2.815 222 I HA 0.421 4.591 4.170 0.001 0.000 0.291 222 I C 1.669 177.809 176.117 0.038 0.000 1.209 222 I CA 0.388 61.716 61.300 0.046 0.000 1.431 222 I CB 0.337 38.363 38.000 0.043 0.000 1.351 222 I HN 0.927 nan 8.210 nan 0.000 0.585 223 A N 4.241 127.080 122.820 0.031 0.000 1.896 223 A HA -0.269 4.051 4.320 0.001 0.000 0.220 223 A C 1.758 179.357 177.584 0.026 0.000 1.206 223 A CA 2.397 54.450 52.037 0.026 0.000 0.647 223 A CB -0.856 18.155 19.000 0.018 0.000 0.828 223 A HN 0.933 nan 8.150 nan 0.000 0.455 224 D N -0.008 120.408 120.400 0.026 0.000 2.309 224 D HA -0.051 4.589 4.640 0.001 0.000 0.212 224 D C 0.170 176.487 176.300 0.029 0.000 0.968 224 D CA 0.784 54.799 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 0.346 nan 8.370 nan 0.000 0.503 225 D N 0.381 120.801 120.400 0.033 0.000 2.558 225 D HA 0.114 4.755 4.640 0.001 0.000 0.221 225 D C 1.369 177.694 176.300 0.041 0.000 1.143 225 D CA -0.171 53.851 54.000 0.037 0.000 1.010 225 D CB -0.064 40.762 40.800 0.043 0.000 1.068 225 D HN 0.130 nan 8.370 nan 0.000 0.511 226 I N 0.865 121.456 120.570 0.035 0.000 2.439 226 I HA -0.178 3.993 4.170 0.001 0.000 0.251 226 I C 1.790 177.933 176.117 0.044 0.000 1.139 226 I CA 0.497 61.817 61.300 0.035 0.000 1.438 226 I CB 0.182 38.198 38.000 0.026 0.000 1.085 226 I HN 0.197 nan 8.210 nan 0.000 0.427 227 D N 1.422 121.847 120.400 0.042 0.000 2.123 227 D HA -0.189 4.451 4.640 0.001 0.000 0.196 227 D C 2.262 178.609 176.300 0.078 0.000 0.992 227 D CA 1.720 55.750 54.000 0.050 0.000 0.833 227 D CB 0.046 40.865 40.800 0.032 0.000 0.954 227 D HN 0.356 nan 8.370 nan 0.000 0.455 228 A N 0.850 123.715 122.820 0.075 0.000 1.933 228 A HA -0.196 4.124 4.320 0.001 0.000 0.218 228 A C 2.133 179.797 177.584 0.132 0.000 1.175 228 A CA 1.440 53.543 52.037 0.110 0.000 0.628 228 A CB -0.456 18.599 19.000 0.091 0.000 0.814 228 A HN 0.098 nan 8.150 nan 0.000 0.444 229 M N 0.007 119.663 119.600 0.093 0.000 2.080 229 M HA -0.080 4.401 4.480 0.001 0.000 0.260 229 M C 2.255 178.599 176.300 0.074 0.000 1.068 229 M CA 1.651 56.998 55.300 0.078 0.000 1.109 229 M CB -0.683 31.949 32.600 0.053 0.000 1.342 229 M HN 0.418 nan 8.290 nan 0.000 0.405 230 A N -1.684 121.182 122.820 0.075 0.000 1.930 230 A HA -0.223 4.097 4.320 0.001 0.000 0.217 230 A C 2.270 179.904 177.584 0.083 0.000 1.175 230 A CA 1.869 53.946 52.037 0.066 0.000 0.627 230 A CB -1.223 17.814 19.000 0.062 0.000 0.815 230 A HN 0.721 nan 8.150 nan 0.000 0.443 231 H N -0.217 118.870 119.070 0.030 0.000 2.357 231 H HA -0.048 4.509 4.556 0.001 0.000 0.301 231 H C 1.961 177.310 175.328 0.036 0.000 1.082 231 H CA 1.778 57.844 56.048 0.030 0.000 1.342 231 H CB -0.044 29.735 29.762 0.030 0.000 1.389 231 H HN 0.472 nan 8.280 nan 0.000 0.511 232 I N 0.473 121.048 120.570 0.009 0.000 2.179 232 I HA -0.268 3.902 4.170 0.001 0.000 0.242 232 I C 2.918 179.008 176.117 -0.046 0.000 1.088 232 I CA 1.260 62.545 61.300 -0.024 0.000 1.357 232 I CB -0.317 37.728 38.000 0.075 0.000 1.051 232 I HN 0.162 nan 8.210 nan 0.000 0.409 233 R N 1.036 121.531 120.500 -0.009 0.000 2.159 233 R HA -0.180 4.160 4.340 0.001 0.000 0.237 233 R C 2.378 178.659 176.300 -0.031 0.000 1.131 233 R CA 1.739 57.836 56.100 -0.005 0.000 0.982 233 R CB -0.167 30.139 30.300 0.010 0.000 0.868 233 R HN 0.477 nan 8.270 nan 0.000 0.453 234 S N -0.543 115.115 115.700 -0.069 0.000 2.481 234 S HA -0.015 4.456 4.470 0.001 0.000 0.231 234 S C 1.147 175.689 174.600 -0.096 0.000 0.996 234 S CA 0.613 58.768 58.200 -0.075 0.000 0.942 234 S CB 0.202 63.354 63.200 -0.081 0.000 0.768 234 S HN 0.332 nan 8.310 nan 0.000 0.520 235 K N 0.629 120.951 120.400 -0.129 0.000 2.506 235 K HA 0.267 4.588 4.320 0.001 0.000 0.204 235 K C -0.293 176.277 176.600 -0.049 0.000 1.045 235 K CA -0.034 56.192 56.287 -0.102 0.000 1.074 235 K CB 1.163 33.567 32.500 -0.160 0.000 0.842 235 K HN 0.294 nan 8.250 nan 0.000 0.514 236 T N 0.608 115.147 114.554 -0.025 0.000 2.900 236 T HA 0.134 4.485 4.350 0.001 0.000 0.303 236 T C -1.083 173.627 174.700 0.017 0.000 1.142 236 T CA -0.672 61.431 62.100 0.005 0.000 1.007 236 T CB 1.519 70.403 68.868 0.025 0.000 1.156 236 T HN 0.200 nan 8.240 nan 0.000 0.490 237 D N 2.442 122.859 120.400 0.028 0.000 2.395 237 D HA 0.211 4.851 4.640 0.001 0.000 0.213 237 D C 0.427 176.757 176.300 0.051 0.000 1.110 237 D CA -0.156 53.864 54.000 0.034 0.000 0.835 237 D CB -0.159 40.659 40.800 0.030 0.000 0.965 237 D HN 0.345 nan 8.370 nan 0.000 0.505 238 L N 1.071 122.332 121.223 0.063 0.000 2.331 238 L HA 0.361 4.702 4.340 0.001 0.000 0.278 238 L C -2.104 174.827 176.870 0.101 0.000 1.106 238 L CA -1.946 52.947 54.840 0.088 0.000 0.824 238 L CB 0.976 43.096 42.059 0.101 0.000 1.142 238 L HN -0.245 nan 8.230 nan 0.000 0.443 239 P HA 0.128 nan 4.420 nan 0.000 0.268 239 P C -1.002 176.380 177.300 0.137 0.000 1.205 239 P CA 0.113 63.286 63.100 0.123 0.000 0.771 239 P CB 0.535 32.340 31.700 0.174 0.000 0.858 240 L N 3.009 124.269 121.223 0.062 0.000 2.346 240 L HA 0.622 4.962 4.340 0.001 0.000 0.276 240 L C 0.049 176.896 176.870 -0.038 0.000 1.006 240 L CA -0.652 54.219 54.840 0.052 0.000 0.817 240 L CB 1.726 43.812 42.059 0.046 0.000 1.272 240 L HN 0.341 nan 8.230 nan 0.000 0.421 241 M N 3.893 123.469 119.600 -0.040 0.000 2.393 241 M HA 0.572 5.053 4.480 0.001 0.000 0.316 241 M C -1.530 174.738 176.300 -0.053 0.000 1.087 241 M CA -0.438 54.781 55.300 -0.136 0.000 0.937 241 M CB 1.975 34.404 32.600 -0.284 0.000 1.668 241 M HN 0.492 nan 8.290 nan 0.000 0.438 242 I N 3.807 124.339 120.570 -0.062 0.000 2.359 242 I HA 0.237 4.408 4.170 0.001 0.000 0.294 242 I C -0.228 175.872 176.117 -0.028 0.000 0.987 242 I CA -0.205 61.078 61.300 -0.028 0.000 1.225 242 I CB 1.580 39.567 38.000 -0.022 0.000 1.366 242 I HN 0.801 nan 8.210 nan 0.000 0.466 243 D N 3.157 123.555 120.400 -0.004 0.000 3.013 243 D HA 0.003 4.644 4.640 0.001 0.000 0.235 243 D C 1.408 177.719 176.300 0.017 0.000 1.540 243 D CA 0.530 54.534 54.000 0.006 0.000 1.303 243 D CB 0.197 41.013 40.800 0.027 0.000 0.980 243 D HN 0.442 nan 8.370 nan 0.000 0.250 244 E N 0.067 120.290 120.200 0.038 0.000 2.273 244 E HA -0.001 4.349 4.350 0.001 0.000 0.198 244 E C 1.780 178.394 176.600 0.023 0.000 1.002 244 E CA 1.172 57.596 56.400 0.040 0.000 0.828 244 E CB -0.412 29.322 29.700 0.057 0.000 0.747 244 E HN 0.415 nan 8.360 nan 0.000 0.491 245 G N -0.013 108.798 108.800 0.019 0.000 2.598 245 G HA2 -0.032 3.929 3.960 0.001 0.000 0.215 245 G HA3 -0.032 3.929 3.960 0.001 0.000 0.215 245 G C 0.189 175.093 174.900 0.007 0.000 1.131 245 G CA -0.038 45.071 45.100 0.015 0.000 0.785 245 G HN 0.148 nan 8.290 nan 0.000 0.539 246 L N -0.732 120.491 121.223 0.001 0.000 2.325 246 L HA 0.610 4.950 4.340 0.001 0.000 0.281 246 L C 0.381 177.245 176.870 -0.010 0.000 1.004 246 L CA -0.612 54.223 54.840 -0.009 0.000 0.823 246 L CB 1.638 43.684 42.059 -0.022 0.000 1.236 246 L HN -0.033 nan 8.230 nan 0.000 0.415 247 K N 1.904 122.297 120.400 -0.012 0.000 2.431 247 K HA 0.347 4.668 4.320 0.001 0.000 0.213 247 K C 0.233 176.816 176.600 -0.029 0.000 1.258 247 K CA 0.451 56.729 56.287 -0.016 0.000 0.845 247 K CB 0.556 33.049 32.500 -0.010 0.000 1.498 247 K HN 0.694 nan 8.250 nan 0.000 0.451 248 S N -0.395 115.285 115.700 -0.032 0.000 2.798 248 S HA 0.278 4.749 4.470 0.001 0.000 0.312 248 S C 0.861 175.440 174.600 -0.036 0.000 1.122 248 S CA -0.664 57.510 58.200 -0.043 0.000 0.949 248 S CB 1.586 64.752 63.200 -0.057 0.000 1.235 248 S HN 0.020 nan 8.310 nan 0.000 0.552 249 S N 0.324 115.999 115.700 -0.041 0.000 2.440 249 S HA -0.114 4.357 4.470 0.001 0.000 0.238 249 S C 1.866 176.458 174.600 -0.014 0.000 1.010 249 S CA 1.176 59.357 58.200 -0.032 0.000 0.972 249 S CB -0.600 62.578 63.200 -0.036 0.000 0.774 249 S HN 0.682 nan 8.310 nan 0.000 0.501 250 R N 1.626 122.123 120.500 -0.005 0.000 2.083 250 R HA -0.153 4.188 4.340 0.001 0.000 0.237 250 R C 1.989 178.296 176.300 0.011 0.000 1.137 250 R CA 1.810 57.919 56.100 0.013 0.000 0.951 250 R CB -0.198 30.120 30.300 0.031 0.000 0.851 250 R HN 0.470 nan 8.270 nan 0.000 0.434 251 E N 0.239 120.442 120.200 0.005 0.000 2.299 251 E HA -0.164 4.186 4.350 0.001 0.000 0.193 251 E C 1.861 178.459 176.600 -0.003 0.000 0.998 251 E CA 0.494 56.897 56.400 0.005 0.000 0.851 251 E CB -0.447 29.256 29.700 0.005 0.000 0.795 251 E HN 0.286 nan 8.360 nan 0.000 0.492 252 M N 2.082 121.676 119.600 -0.011 0.000 2.108 252 M HA -0.123 4.357 4.480 0.001 0.000 0.261 252 M C 2.379 178.673 176.300 -0.010 0.000 1.066 252 M CA 1.674 56.964 55.300 -0.017 0.000 1.107 252 M CB -0.321 32.264 32.600 -0.026 0.000 1.356 252 M HN 0.026 nan 8.290 nan 0.000 0.406 253 R N -0.632 119.865 120.500 -0.005 0.000 2.091 253 R HA -0.227 4.113 4.340 0.001 0.000 0.238 253 R C 2.382 178.684 176.300 0.003 0.000 1.136 253 R CA 2.192 58.292 56.100 -0.000 0.000 0.959 253 R CB -0.470 29.833 30.300 0.004 0.000 0.856 253 R HN 0.677 nan 8.270 nan 0.000 0.437 254 Q N 0.282 120.086 119.800 0.006 0.000 2.079 254 Q HA -0.134 4.207 4.340 0.001 0.000 0.200 254 Q C 2.127 178.131 176.000 0.007 0.000 0.974 254 Q CA 1.637 57.446 55.803 0.009 0.000 0.840 254 Q CB -0.027 28.719 28.738 0.013 0.000 0.898 254 Q HN 0.456 nan 8.270 nan 0.000 0.430 255 I N 0.386 120.957 120.570 0.002 0.000 2.226 255 I HA -0.306 3.864 4.170 0.001 0.000 0.245 255 I C 2.119 178.235 176.117 -0.002 0.000 1.100 255 I CA 1.030 62.330 61.300 -0.001 0.000 1.374 255 I CB -0.188 37.806 38.000 -0.010 0.000 1.057 255 I HN 0.278 nan 8.210 nan 0.000 0.413 256 I N 0.467 121.035 120.570 -0.004 0.000 2.252 256 I HA -0.267 3.903 4.170 0.001 0.000 0.245 256 I C 2.584 178.701 176.117 0.000 0.000 1.102 256 I CA 1.120 62.417 61.300 -0.005 0.000 1.385 256 I CB -0.273 37.723 38.000 -0.006 0.000 1.064 256 I HN 0.120 nan 8.210 nan 0.000 0.414 257 K N 1.579 121.982 120.400 0.004 0.000 2.057 257 K HA -0.097 4.224 4.320 0.001 0.000 0.207 257 K C 1.746 178.352 176.600 0.010 0.000 1.049 257 K CA 1.695 57.986 56.287 0.007 0.000 0.931 257 K CB -0.278 32.227 32.500 0.009 0.000 0.714 257 K HN 0.270 nan 8.250 nan 0.000 0.440 258 L N 0.515 121.745 121.223 0.012 0.000 2.592 258 L HA 0.171 4.512 4.340 0.001 0.000 0.227 258 L C -0.270 176.610 176.870 0.017 0.000 1.127 258 L CA 0.075 54.926 54.840 0.018 0.000 0.884 258 L CB -0.333 41.740 42.059 0.023 0.000 1.065 258 L HN 0.241 nan 8.230 nan 0.000 0.457 259 E N -0.042 120.164 120.200 0.010 0.000 2.271 259 E HA -0.270 4.080 4.350 0.001 0.000 0.223 259 E C 1.015 177.621 176.600 0.009 0.000 1.223 259 E CA 0.287 56.691 56.400 0.006 0.000 0.704 259 E CB -0.927 28.777 29.700 0.007 0.000 1.194 259 E HN 0.582 nan 8.360 nan 0.000 0.375 260 A N -0.216 122.610 122.820 0.009 0.000 2.208 260 A HA 0.466 4.787 4.320 0.001 0.000 0.209 260 A C 0.846 178.434 177.584 0.006 0.000 1.161 260 A CA 1.102 53.148 52.037 0.015 0.000 0.782 260 A CB 0.485 19.497 19.000 0.019 0.000 0.816 260 A HN 0.581 nan 8.150 nan 0.000 0.477 261 A N -1.306 121.509 122.820 -0.008 0.000 2.606 261 A HA 0.550 4.871 4.320 0.001 0.000 0.293 261 A C -0.439 177.121 177.584 -0.039 0.000 1.082 261 A CA -0.258 51.765 52.037 -0.024 0.000 0.685 261 A CB 0.497 19.474 19.000 -0.037 0.000 1.284 261 A HN 0.002 nan 8.150 nan 0.000 0.408 262 D N 0.376 120.743 120.400 -0.055 0.000 2.301 262 D HA 0.088 4.728 4.640 0.001 0.000 0.206 262 D C 0.051 176.278 176.300 -0.122 0.000 0.979 262 D CA 1.210 55.169 54.000 -0.068 0.000 0.874 262 D CB 0.383 41.152 40.800 -0.052 0.000 0.968 262 D HN 0.627 nan 8.370 nan 0.000 0.510 263 K N 0.085 120.383 120.400 -0.170 0.000 2.556 263 K HA 0.513 4.834 4.320 0.001 0.000 0.274 263 K C -0.806 175.673 176.600 -0.203 0.000 0.966 263 K CA -0.904 55.245 56.287 -0.230 0.000 0.865 263 K CB 2.607 34.860 32.500 -0.411 0.000 1.444 263 K HN -0.160 nan 8.250 nan 0.000 0.433 264 V N -1.592 118.215 119.914 -0.179 0.000 2.864 264 V HA 0.558 4.678 4.120 0.001 0.000 0.314 264 V C -0.887 175.124 176.094 -0.138 0.000 1.073 264 V CA -0.865 61.356 62.300 -0.132 0.000 0.956 264 V CB 1.792 33.561 31.823 -0.090 0.000 1.023 264 V HN 0.864 nan 8.190 nan 0.000 0.435 265 N N 2.775 121.415 118.700 -0.100 0.000 2.546 265 N HA 0.474 5.215 4.740 0.001 0.000 0.238 265 N C -0.821 174.651 175.510 -0.064 0.000 0.984 265 N CA -0.453 52.549 53.050 -0.081 0.000 0.935 265 N CB 0.605 39.065 38.487 -0.045 0.000 1.122 265 N HN 0.816 nan 8.380 nan 0.000 0.510 266 I N 2.659 123.184 120.570 -0.075 0.000 2.395 266 I HA 0.219 4.389 4.170 0.001 0.000 0.289 266 I C 0.406 176.484 176.117 -0.064 0.000 1.023 266 I CA -0.221 61.039 61.300 -0.067 0.000 1.350 266 I CB 0.814 38.768 38.000 -0.077 0.000 1.409 266 I HN 0.151 nan 8.210 nan 0.000 0.507 267 K N 6.248 126.619 120.400 -0.048 0.000 2.471 267 K HA 0.398 4.718 4.320 0.001 0.000 0.252 267 K C 0.496 177.079 176.600 -0.028 0.000 0.938 267 K CA -0.734 55.528 56.287 -0.043 0.000 0.796 267 K CB 2.519 35.004 32.500 -0.025 0.000 1.161 267 K HN 0.527 nan 8.250 nan 0.000 0.425 268 L N 1.696 122.903 121.223 -0.028 0.000 2.081 268 L HA -0.212 4.128 4.340 0.001 0.000 0.212 268 L C 1.824 178.705 176.870 0.019 0.000 1.080 268 L CA 1.307 56.146 54.840 -0.002 0.000 0.754 268 L CB -0.382 41.681 42.059 0.006 0.000 0.893 268 L HN 0.715 nan 8.230 nan 0.000 0.433 269 M N -0.431 119.180 119.600 0.017 0.000 2.460 269 M HA -0.122 4.358 4.480 0.001 0.000 0.263 269 M C 1.903 178.219 176.300 0.027 0.000 1.071 269 M CA 1.453 56.772 55.300 0.031 0.000 1.096 269 M CB -0.776 31.844 32.600 0.034 0.000 1.408 269 M HN 0.230 nan 8.290 nan 0.000 0.463 270 K N -0.594 119.814 120.400 0.013 0.000 2.323 270 K HA 0.026 4.347 4.320 0.001 0.000 0.197 270 K C 1.778 178.375 176.600 -0.004 0.000 1.043 270 K CA 0.980 57.272 56.287 0.007 0.000 0.997 270 K CB 0.331 32.832 32.500 0.002 0.000 0.807 270 K HN 0.516 nan 8.250 nan 0.000 0.497 271 C N -2.299 116.998 119.300 -0.004 0.000 3.228 271 C HA 0.505 4.965 4.460 0.001 0.000 0.290 271 C C 1.268 176.269 174.990 0.018 0.000 1.301 271 C CA -0.049 58.961 59.018 -0.013 0.000 1.703 271 C CB 0.005 27.724 27.740 -0.036 0.000 2.141 271 C HN 0.486 nan 8.230 nan 0.000 0.656 272 G N 0.052 108.886 108.800 0.056 0.000 2.135 272 G HA2 0.435 4.395 3.960 0.001 0.000 0.183 272 G HA3 0.435 4.395 3.960 0.001 0.000 0.183 272 G C 0.665 175.696 174.900 0.218 0.000 1.004 272 G CA 0.237 45.418 45.100 0.135 0.000 0.677 272 G HN 2.464 nan 8.290 nan 0.000 0.512 273 G N -1.236 107.645 108.800 0.135 0.000 2.483 273 G HA2 0.086 4.047 3.960 0.001 0.000 0.521 273 G HA3 0.086 4.047 3.960 0.001 0.000 0.521 273 G C 0.866 175.824 174.900 0.097 0.000 1.278 273 G CA -0.084 45.108 45.100 0.154 0.000 0.965 273 G HN 0.936 nan 8.290 nan 0.000 0.504 274 I N -0.498 120.122 120.570 0.083 0.000 2.118 274 I HA -0.204 3.967 4.170 0.001 0.000 0.241 274 I C 2.422 178.530 176.117 -0.014 0.000 1.070 274 I CA 2.442 63.688 61.300 -0.090 0.000 1.327 274 I CB -0.382 37.312 38.000 -0.510 0.000 1.034 274 I HN 0.554 nan 8.210 nan 0.000 0.405 275 Y N 1.610 121.929 120.300 0.031 0.000 2.128 275 Y HA -0.222 4.328 4.550 0.001 0.000 0.284 275 Y C -0.372 175.446 175.900 -0.137 0.000 1.154 275 Y CA 1.702 59.811 58.100 0.014 0.000 1.149 275 Y CB -1.119 37.396 38.460 0.093 0.000 0.976 275 Y HN 0.137 nan 8.280 nan 0.000 0.505 276 P HA -0.166 nan 4.420 nan 0.000 0.218 276 P C 1.165 178.355 177.300 -0.183 0.000 1.149 276 P CA 2.137 65.101 63.100 -0.226 0.000 0.817 276 P CB -0.192 31.426 31.700 -0.137 0.000 0.785 277 A N -0.561 122.183 122.820 -0.126 0.000 1.902 277 A HA -0.144 4.177 4.320 0.001 0.000 0.217 277 A C 2.305 179.778 177.584 -0.184 0.000 1.181 277 A CA 1.638 53.601 52.037 -0.123 0.000 0.623 277 A CB -1.697 17.252 19.000 -0.085 0.000 0.818 277 A HN 0.020 nan 8.150 nan 0.000 0.443 278 V N 0.217 119.992 119.914 -0.232 0.000 2.343 278 V HA -0.277 3.843 4.120 0.001 0.000 0.247 278 V C 2.442 178.203 176.094 -0.554 0.000 1.051 278 V CA 2.341 64.421 62.300 -0.367 0.000 1.036 278 V CB -0.647 30.991 31.823 -0.308 0.000 0.654 278 V HN 0.545 nan 8.190 nan 0.000 0.451 279 K N -0.302 119.838 120.400 -0.432 0.000 2.097 279 K HA -0.104 4.217 4.320 0.001 0.000 0.206 279 K C 2.113 178.594 176.600 -0.199 0.000 1.049 279 K CA 1.270 57.359 56.287 -0.329 0.000 0.933 279 K CB -0.282 32.033 32.500 -0.308 0.000 0.717 279 K HN 0.363 nan 8.250 nan 0.000 0.442 280 L N 0.468 121.584 121.223 -0.178 0.000 2.046 280 L HA -0.192 4.149 4.340 0.001 0.000 0.208 280 L C 2.596 179.410 176.870 -0.094 0.000 1.077 280 L CA 1.107 55.880 54.840 -0.112 0.000 0.747 280 L CB -0.585 41.414 42.059 -0.100 0.000 0.896 280 L HN 0.214 nan 8.230 nan 0.000 0.432 281 A N -0.666 122.073 122.820 -0.135 0.000 1.902 281 A HA -0.250 4.070 4.320 0.001 0.000 0.217 281 A C 1.993 179.587 177.584 0.016 0.000 1.181 281 A CA 1.666 53.654 52.037 -0.083 0.000 0.623 281 A CB -0.954 17.977 19.000 -0.114 0.000 0.818 281 A HN 0.510 nan 8.150 nan 0.000 0.443 282 H N -1.188 117.845 119.070 -0.062 0.000 2.389 282 H HA -0.102 4.455 4.556 0.001 0.000 0.299 282 H C 2.412 177.708 175.328 -0.053 0.000 1.081 282 H CA 1.278 57.292 56.048 -0.057 0.000 1.345 282 H CB 0.085 29.810 29.762 -0.061 0.000 1.393 282 H HN 0.613 nan 8.280 nan 0.000 0.520 283 Q N 0.442 120.282 119.800 0.066 0.000 2.046 283 Q HA -0.077 4.264 4.340 0.001 0.000 0.200 283 Q C 2.667 178.668 176.000 0.002 0.000 0.975 283 Q CA 1.064 56.878 55.803 0.018 0.000 0.836 283 Q CB -0.004 28.729 28.738 -0.010 0.000 0.896 283 Q HN 0.434 nan 8.270 nan 0.000 0.428 284 A N 1.095 123.909 122.820 -0.010 0.000 1.940 284 A HA -0.280 4.040 4.320 0.001 0.000 0.219 284 A C 1.913 179.488 177.584 -0.015 0.000 1.176 284 A CA 1.720 53.744 52.037 -0.022 0.000 0.631 284 A CB -0.562 18.415 19.000 -0.037 0.000 0.814 284 A HN 0.460 nan 8.150 nan 0.000 0.446 285 E N -0.605 119.595 120.200 -0.000 0.000 2.118 285 E HA -0.241 4.110 4.350 0.001 0.000 0.195 285 E C 1.974 178.566 176.600 -0.013 0.000 0.992 285 E CA 1.432 57.828 56.400 -0.006 0.000 0.804 285 E CB -0.233 29.472 29.700 0.008 0.000 0.741 285 E HN 0.677 nan 8.360 nan 0.000 0.458 286 M N -0.146 119.449 119.600 -0.009 0.000 2.202 286 M HA -0.123 4.358 4.480 0.001 0.000 0.262 286 M C 1.613 177.905 176.300 -0.013 0.000 1.063 286 M CA 1.882 57.174 55.300 -0.013 0.000 1.097 286 M CB 0.059 32.653 32.600 -0.010 0.000 1.382 286 M HN 0.189 nan 8.290 nan 0.000 0.413 287 A N -0.597 122.215 122.820 -0.014 0.000 2.387 287 A HA 0.446 4.766 4.320 0.001 0.000 0.234 287 A C 1.330 178.904 177.584 -0.017 0.000 1.253 287 A CA 0.467 52.496 52.037 -0.014 0.000 0.894 287 A CB -0.503 18.489 19.000 -0.014 0.000 0.963 287 A HN 0.769 nan 8.150 nan 0.000 0.508 288 G N -0.066 108.723 108.800 -0.019 0.000 2.221 288 G HA2 -0.229 3.731 3.960 0.001 0.000 0.265 288 G HA3 -0.229 3.731 3.960 0.001 0.000 0.265 288 G C -0.008 174.875 174.900 -0.029 0.000 1.041 288 G CA 0.428 45.516 45.100 -0.021 0.000 0.807 288 G HN 0.504 nan 8.290 nan 0.000 0.502 289 I N 0.901 121.449 120.570 -0.036 0.000 2.315 289 I HA 0.225 4.396 4.170 0.001 0.000 0.291 289 I C 0.787 176.864 176.117 -0.065 0.000 1.006 289 I CA -0.559 60.709 61.300 -0.052 0.000 1.265 289 I CB 0.865 38.834 38.000 -0.052 0.000 1.387 289 I HN 0.166 nan 8.210 nan 0.000 0.475 290 E N 4.890 125.038 120.200 -0.087 0.000 2.373 290 E HA 0.211 4.562 4.350 0.001 0.000 0.267 290 E C -0.930 175.591 176.600 -0.131 0.000 1.032 290 E CA -0.315 56.025 56.400 -0.100 0.000 0.889 290 E CB 1.097 30.725 29.700 -0.120 0.000 0.984 290 E HN 0.547 nan 8.360 nan 0.000 0.425 291 C N 1.838 121.076 119.300 -0.104 0.000 2.529 291 C HA 0.470 4.930 4.460 0.001 0.000 0.329 291 C C -0.116 174.800 174.990 -0.124 0.000 1.194 291 C CA -0.616 58.334 59.018 -0.113 0.000 1.779 291 C CB 1.277 28.972 27.740 -0.076 0.000 2.322 291 C HN 0.754 nan 8.230 nan 0.000 0.500 292 Q N 0.657 120.374 119.800 -0.139 0.000 2.397 292 Q HA 0.693 5.034 4.340 0.001 0.000 0.275 292 Q C -1.942 173.981 176.000 -0.127 0.000 1.090 292 Q CA -0.364 55.358 55.803 -0.135 0.000 0.809 292 Q CB 1.979 30.639 28.738 -0.130 0.000 1.362 292 Q HN 0.612 nan 8.270 nan 0.000 0.431 293 V N 3.402 123.220 119.914 -0.160 0.000 2.328 293 V HA 0.600 4.721 4.120 0.001 0.000 0.278 293 V C 0.472 176.464 176.094 -0.169 0.000 1.021 293 V CA -0.033 62.171 62.300 -0.159 0.000 0.838 293 V CB 0.691 32.404 31.823 -0.183 0.000 0.999 293 V HN 0.871 nan 8.190 nan 0.000 0.447 294 G N 3.465 112.192 108.800 -0.122 0.000 2.857 294 G HA2 0.871 4.831 3.960 0.001 0.000 0.217 294 G HA3 0.871 4.831 3.960 0.001 0.000 0.217 294 G C -0.267 174.562 174.900 -0.119 0.000 1.357 294 G CA 0.162 45.198 45.100 -0.106 0.000 1.033 294 G HN 1.071 nan 8.290 nan 0.000 0.571 295 S N -2.244 113.402 115.700 -0.090 0.000 2.663 295 S HA 0.508 4.979 4.470 0.001 0.000 0.264 295 S C -0.898 173.661 174.600 -0.069 0.000 1.112 295 S CA -0.817 57.332 58.200 -0.086 0.000 0.823 295 S CB 0.899 64.023 63.200 -0.126 0.000 1.111 295 S HN 0.504 nan 8.310 nan 0.000 0.476 296 M N 1.314 120.878 119.600 -0.059 0.000 2.369 296 M HA 0.462 4.942 4.480 0.001 0.000 0.291 296 M C -0.028 176.190 176.300 -0.136 0.000 1.178 296 M CA -0.930 54.329 55.300 -0.069 0.000 0.996 296 M CB 0.594 33.178 32.600 -0.028 0.000 1.472 296 M HN 0.622 nan 8.290 nan 0.000 0.496 297 V N 2.088 121.868 119.914 -0.223 0.000 2.400 297 V HA 0.012 4.132 4.120 0.001 0.000 0.263 297 V C 0.283 176.395 176.094 0.030 0.000 1.026 297 V CA 0.139 62.279 62.300 -0.266 0.000 1.077 297 V CB -1.402 30.151 31.823 -0.450 0.000 1.054 297 V HN 0.677 nan 8.190 nan 0.000 0.477 298 E N 2.780 123.013 120.200 0.054 0.000 2.263 298 E HA 0.562 4.913 4.350 0.001 0.000 0.264 298 E C 0.050 176.857 176.600 0.345 0.000 0.923 298 E CA -0.623 55.881 56.400 0.174 0.000 0.802 298 E CB 1.770 31.508 29.700 0.063 0.000 1.228 298 E HN 0.684 nan 8.360 nan 0.000 0.417 299 S N 0.381 116.228 115.700 0.245 0.000 2.633 299 S HA 0.068 4.538 4.470 0.001 0.000 0.257 299 S C 1.001 175.712 174.600 0.185 0.000 1.265 299 S CA -0.191 58.137 58.200 0.213 0.000 0.980 299 S CB 1.063 64.274 63.200 0.019 0.000 1.017 299 S HN 0.414 nan 8.310 nan 0.000 0.577 300 S N -0.053 115.746 115.700 0.165 0.000 2.400 300 S HA -0.098 4.373 4.470 0.001 0.000 0.232 300 S C 1.855 176.536 174.600 0.135 0.000 1.025 300 S CA 1.172 59.475 58.200 0.172 0.000 0.993 300 S CB -0.756 62.527 63.200 0.139 0.000 0.808 300 S HN 0.527 nan 8.310 nan 0.000 0.478 301 V N 1.841 121.810 119.914 0.092 0.000 2.223 301 V HA -0.228 3.892 4.120 0.001 0.000 0.244 301 V C 2.660 178.816 176.094 0.103 0.000 1.045 301 V CA 1.941 64.296 62.300 0.091 0.000 1.000 301 V CB -1.247 30.627 31.823 0.086 0.000 0.635 301 V HN 0.559 nan 8.190 nan 0.000 0.445 302 A N -0.582 122.293 122.820 0.091 0.000 1.930 302 A HA -0.162 4.158 4.320 0.001 0.000 0.217 302 A C 2.457 180.066 177.584 0.041 0.000 1.175 302 A CA 1.956 54.033 52.037 0.067 0.000 0.627 302 A CB -0.689 18.344 19.000 0.055 0.000 0.815 302 A HN 0.501 nan 8.150 nan 0.000 0.443 303 S N 0.710 116.443 115.700 0.055 0.000 2.359 303 S HA -0.209 4.262 4.470 0.001 0.000 0.224 303 S C 2.405 177.036 174.600 0.052 0.000 1.035 303 S CA 1.942 60.142 58.200 -0.001 0.000 1.018 303 S CB -0.509 62.775 63.200 0.140 0.000 0.876 303 S HN 0.913 nan 8.310 nan 0.000 0.448 304 S N 2.458 118.289 115.700 0.219 0.000 2.368 304 S HA -0.001 4.469 4.470 0.001 0.000 0.224 304 S C 2.091 176.901 174.600 0.350 0.000 1.029 304 S CA 0.940 59.350 58.200 0.351 0.000 0.988 304 S CB -0.744 62.634 63.200 0.298 0.000 0.838 304 S HN 0.517 nan 8.310 nan 0.000 0.462 305 A N 2.193 125.128 122.820 0.192 0.000 1.892 305 A HA 0.092 4.413 4.320 0.001 0.000 0.218 305 A C 2.442 180.091 177.584 0.108 0.000 1.188 305 A CA 1.888 54.001 52.037 0.127 0.000 0.631 305 A CB -1.881 17.159 19.000 0.066 0.000 0.822 305 A HN 0.687 nan 8.150 nan 0.000 0.447 306 G N -1.566 107.238 108.800 0.006 0.000 2.418 306 G HA2 -0.176 3.784 3.960 0.001 0.000 0.217 306 G HA3 -0.176 3.784 3.960 0.001 0.000 0.217 306 G C 1.461 176.345 174.900 -0.027 0.000 1.158 306 G CA 0.997 46.040 45.100 -0.094 0.000 0.771 306 G HN 0.498 nan 8.290 nan 0.000 0.545 307 F N 0.124 120.141 119.950 0.112 0.000 2.171 307 F HA -0.039 4.488 4.527 0.001 0.000 0.300 307 F C 2.792 178.752 175.800 0.267 0.000 1.090 307 F CA 1.073 59.181 58.000 0.179 0.000 1.293 307 F CB -0.118 38.923 39.000 0.069 0.000 1.013 307 F HN 0.149 nan 8.300 nan 0.000 0.486 308 H N -0.652 118.632 119.070 0.357 0.000 2.387 308 H HA -0.140 4.417 4.556 0.001 0.000 0.299 308 H C 2.405 177.914 175.328 0.302 0.000 1.099 308 H CA 1.780 58.030 56.048 0.336 0.000 1.315 308 H CB -0.328 29.544 29.762 0.184 0.000 1.380 308 H HN 0.134 nan 8.280 nan 0.000 0.513 309 V N 0.956 121.036 119.914 0.278 0.000 2.270 309 V HA -0.231 3.890 4.120 0.001 0.000 0.245 309 V C 2.869 179.090 176.094 0.211 0.000 1.043 309 V CA 1.475 63.869 62.300 0.158 0.000 1.014 309 V CB -1.016 30.828 31.823 0.035 0.000 0.645 309 V HN 0.448 nan 8.190 nan 0.000 0.447 310 A N -0.218 122.731 122.820 0.216 0.000 1.873 310 A HA -0.240 4.080 4.320 0.001 0.000 0.218 310 A C 2.018 179.880 177.584 0.464 0.000 1.193 310 A CA 2.119 54.266 52.037 0.183 0.000 0.629 310 A CB -0.887 18.063 19.000 -0.084 0.000 0.826 310 A HN 0.471 nan 8.150 nan 0.000 0.447 311 F N 0.988 121.196 119.950 0.431 0.000 2.408 311 F HA -0.113 4.414 4.527 0.001 0.000 0.300 311 F C 2.683 178.676 175.800 0.322 0.000 1.090 311 F CA 1.441 59.714 58.000 0.454 0.000 1.427 311 F CB -0.112 38.958 39.000 0.116 0.000 1.070 311 F HN 0.355 nan 8.300 nan 0.000 0.549 312 S N -1.783 114.168 115.700 0.418 0.000 2.575 312 S HA 0.109 4.580 4.470 0.001 0.000 0.215 312 S C 0.478 175.199 174.600 0.201 0.000 0.966 312 S CA -0.158 58.215 58.200 0.289 0.000 0.911 312 S CB -0.020 63.350 63.200 0.283 0.000 0.780 312 S HN -0.079 nan 8.310 nan 0.000 0.514 313 K N 1.764 122.287 120.400 0.205 0.000 2.413 313 K HA 0.318 4.638 4.320 0.001 0.000 0.257 313 K C 0.217 176.771 176.600 -0.077 0.000 0.946 313 K CA -0.384 55.926 56.287 0.038 0.000 0.823 313 K CB 1.930 34.474 32.500 0.074 0.000 1.109 313 K HN 0.145 nan 8.250 nan 0.000 0.427 314 K N 2.137 122.192 120.400 -0.575 0.000 2.152 314 K HA -0.122 4.199 4.320 0.001 0.000 0.206 314 K C 1.476 177.986 176.600 -0.150 0.000 1.048 314 K CA 1.185 57.028 56.287 -0.740 0.000 0.933 314 K CB 0.069 31.966 32.500 -1.005 0.000 0.721 314 K HN 0.434 nan 8.250 nan 0.000 0.447 315 I N 1.325 121.842 120.570 -0.088 0.000 2.830 315 I HA -0.018 4.152 4.170 0.001 0.000 0.263 315 I C 0.166 176.301 176.117 0.030 0.000 1.230 315 I CA 0.626 61.914 61.300 -0.020 0.000 1.480 315 I CB 0.141 38.129 38.000 -0.020 0.000 1.095 315 I HN 0.089 nan 8.210 nan 0.000 0.455 316 I N 1.144 121.773 120.570 0.099 0.000 2.291 316 I HA 0.087 4.258 4.170 0.001 0.000 0.292 316 I C 1.203 177.438 176.117 0.196 0.000 1.064 316 I CA 0.063 61.422 61.300 0.099 0.000 1.269 316 I CB 0.580 38.632 38.000 0.087 0.000 1.418 316 I HN 0.169 nan 8.210 nan 0.000 0.485 317 T N 0.128 114.756 114.554 0.123 0.000 3.054 317 T HA 0.185 4.536 4.350 0.001 0.000 0.255 317 T C 0.486 175.320 174.700 0.222 0.000 1.035 317 T CA -0.139 62.075 62.100 0.188 0.000 0.941 317 T CB 0.078 69.015 68.868 0.115 0.000 1.026 317 T HN 0.565 nan 8.240 nan 0.000 0.533 318 S N -0.506 115.244 115.700 0.082 0.000 2.607 318 S HA 0.777 5.248 4.470 0.001 0.000 0.273 318 S C -1.520 172.950 174.600 -0.216 0.000 1.148 318 S CA -0.772 57.459 58.200 0.052 0.000 0.833 318 S CB 2.097 65.412 63.200 0.191 0.000 1.130 318 S HN 0.262 nan 8.310 nan 0.000 0.470 319 V N 0.441 120.223 119.914 -0.219 0.000 2.925 319 V HA 0.657 4.778 4.120 0.001 0.000 0.311 319 V C -1.504 174.547 176.094 -0.071 0.000 1.104 319 V CA -0.454 61.682 62.300 -0.274 0.000 0.954 319 V CB 2.160 33.679 31.823 -0.506 0.000 1.022 319 V HN 1.080 nan 8.190 nan 0.000 0.427 320 E N 5.695 125.837 120.200 -0.097 0.000 3.626 320 E HA 0.347 4.697 4.350 0.001 0.000 0.245 320 E C -1.752 174.783 176.600 -0.110 0.000 1.236 320 E CA -0.200 56.171 56.400 -0.049 0.000 1.072 320 E CB 1.306 30.993 29.700 -0.022 0.000 1.309 320 E HN 0.385 nan 8.360 nan 0.000 0.400 321 L N 1.353 122.505 121.223 -0.119 0.000 2.401 321 L HA 0.308 4.648 4.340 0.001 0.000 0.263 321 L C 0.712 177.634 176.870 0.086 0.000 1.004 321 L CA -0.172 54.560 54.840 -0.179 0.000 0.881 321 L CB 1.344 43.037 42.059 -0.610 0.000 1.219 321 L HN 0.187 nan 8.230 nan 0.000 0.441 322 T N -3.229 111.305 114.554 -0.033 0.000 3.231 322 T HA 0.175 4.526 4.350 0.001 0.000 0.292 322 T C 1.470 175.993 174.700 -0.296 0.000 1.001 322 T CA 0.261 62.304 62.100 -0.095 0.000 0.920 322 T CB 0.734 69.531 68.868 -0.118 0.000 1.140 322 T HN 0.484 nan 8.240 nan 0.000 0.525 323 G N 3.002 111.630 108.800 -0.287 0.000 2.446 323 G HA2 -0.078 3.883 3.960 0.001 0.000 0.217 323 G HA3 -0.078 3.883 3.960 0.001 0.000 0.217 323 G C -0.630 173.918 174.900 -0.588 0.000 1.168 323 G CA 0.734 45.503 45.100 -0.551 0.000 0.771 323 G HN 0.448 nan 8.290 nan 0.000 0.551 324 P HA -0.069 nan 4.420 nan 0.000 0.218 324 P C 1.415 178.615 177.300 -0.168 0.000 1.146 324 P CA 0.965 64.078 63.100 0.021 0.000 0.813 324 P CB -0.165 31.647 31.700 0.186 0.000 0.778 325 L N -5.045 115.944 121.223 -0.389 0.000 2.791 325 L HA 0.375 4.715 4.340 0.001 0.000 0.239 325 L C 1.146 177.853 176.870 -0.272 0.000 1.203 325 L CA 0.758 55.402 54.840 -0.327 0.000 1.002 325 L CB -0.418 41.378 42.059 -0.439 0.000 1.295 325 L HN -0.278 nan 8.230 nan 0.000 0.504 326 K N -0.770 119.384 120.400 -0.411 0.000 2.425 326 K HA 0.318 4.639 4.320 0.001 0.000 0.201 326 K C -0.293 176.129 176.600 -0.297 0.000 1.128 326 K CA -0.147 55.900 56.287 -0.400 0.000 1.000 326 K CB 0.485 32.625 32.500 -0.599 0.000 0.961 326 K HN 0.108 nan 8.250 nan 0.000 0.555 327 F N 0.905 120.808 119.950 -0.078 0.000 2.371 327 F HA 0.084 4.611 4.527 0.001 0.000 0.329 327 F C 1.890 177.667 175.800 -0.039 0.000 1.107 327 F CA -0.575 57.390 58.000 -0.058 0.000 1.137 327 F CB 0.998 39.962 39.000 -0.060 0.000 1.214 327 F HN -0.069 nan 8.300 nan 0.000 0.536 328 T N -2.446 112.221 114.554 0.189 0.000 3.044 328 T HA 0.262 4.613 4.350 0.001 0.000 0.250 328 T C 0.253 174.994 174.700 0.070 0.000 1.081 328 T CA 0.164 62.320 62.100 0.093 0.000 1.040 328 T CB -0.163 68.742 68.868 0.063 0.000 0.962 328 T HN 0.440 nan 8.240 nan 0.000 0.506 329 K N 0.981 121.424 120.400 0.071 0.000 2.535 329 K HA 0.500 4.821 4.320 0.001 0.000 0.251 329 K C -2.041 174.551 176.600 -0.014 0.000 0.942 329 K CA -0.746 55.549 56.287 0.012 0.000 0.798 329 K CB 2.194 34.674 32.500 -0.032 0.000 1.267 329 K HN 0.004 nan 8.250 nan 0.000 0.434 330 D N 2.386 122.784 120.400 -0.003 0.000 2.738 330 D HA 0.267 4.907 4.640 0.001 0.000 0.237 330 D C 0.643 176.913 176.300 -0.050 0.000 1.123 330 D CA -0.718 53.276 54.000 -0.010 0.000 0.856 330 D CB 1.635 42.487 40.800 0.087 0.000 1.552 330 D HN 0.583 nan 8.370 nan 0.000 0.480 331 I N -0.033 120.486 120.570 -0.086 0.000 3.428 331 I HA 0.382 4.552 4.170 0.001 0.000 0.286 331 I C 0.779 176.827 176.117 -0.115 0.000 1.287 331 I CA -0.040 61.191 61.300 -0.116 0.000 1.396 331 I CB 0.192 38.101 38.000 -0.151 0.000 1.062 331 I HN 0.179 nan 8.210 nan 0.000 0.471 332 G N 1.884 110.651 108.800 -0.056 0.000 2.816 332 G HA2 0.403 4.364 3.960 0.001 0.000 0.288 332 G HA3 0.403 4.364 3.960 0.001 0.000 0.288 332 G C -0.701 174.212 174.900 0.021 0.000 1.334 332 G CA -0.605 44.472 45.100 -0.039 0.000 0.978 332 G HN 0.329 nan 8.290 nan 0.000 0.493 333 N N 0.101 118.824 118.700 0.038 0.000 2.599 333 N HA 0.144 4.885 4.740 0.001 0.000 0.309 333 N C -0.575 175.011 175.510 0.127 0.000 1.743 333 N CA -0.556 52.541 53.050 0.077 0.000 0.918 333 N CB 0.753 39.265 38.487 0.042 0.000 1.339 333 N HN 0.314 nan 8.380 nan 0.000 0.493 334 L N 1.875 123.199 121.223 0.168 0.000 2.477 334 L HA 0.191 4.532 4.340 0.001 0.000 0.272 334 L C -0.108 176.917 176.870 0.259 0.000 1.157 334 L CA 0.134 55.085 54.840 0.186 0.000 0.889 334 L CB -0.069 42.134 42.059 0.240 0.000 1.158 334 L HN 0.422 nan 8.230 nan 0.000 0.473 335 H N 4.324 123.434 119.070 0.065 0.000 2.562 335 H HA 0.390 4.946 4.556 0.001 0.000 0.314 335 H C -1.479 173.876 175.328 0.045 0.000 1.079 335 H CA -0.121 55.985 56.048 0.097 0.000 1.349 335 H CB 0.397 30.179 29.762 0.033 0.000 1.432 335 H HN 0.548 nan 8.280 nan 0.000 0.479 336 Y N 2.989 122.916 120.300 -0.622 0.000 2.341 336 Y HA 0.190 4.741 4.550 0.001 0.000 0.337 336 Y C 0.268 175.772 175.900 -0.659 0.000 1.014 336 Y CA -0.808 57.002 58.100 -0.484 0.000 1.111 336 Y CB 1.372 39.718 38.460 -0.190 0.000 1.194 336 Y HN 0.681 nan 8.280 nan 0.000 0.462 337 D N 3.262 123.515 120.400 -0.246 0.000 3.139 337 D HA 0.136 4.776 4.640 0.001 0.000 0.268 337 D C -0.310 176.023 176.300 0.055 0.000 1.322 337 D CA 0.040 53.998 54.000 -0.069 0.000 0.940 337 D CB 0.453 41.265 40.800 0.019 0.000 1.050 337 D HN 0.241 nan 8.370 nan 0.000 0.503 338 V N 3.206 123.123 119.914 0.006 0.000 2.780 338 V HA -0.092 4.028 4.120 0.001 0.000 0.301 338 V C -1.142 174.882 176.094 -0.116 0.000 1.168 338 V CA -0.122 62.119 62.300 -0.097 0.000 1.305 338 V CB -0.041 31.681 31.823 -0.169 0.000 0.858 338 V HN 0.298 nan 8.190 nan 0.000 0.502 339 P HA 0.361 nan 4.420 nan 0.000 0.220 339 P C -0.795 176.122 177.300 -0.637 0.000 1.793 339 P CA 0.070 62.827 63.100 -0.572 0.000 0.917 339 P CB -0.204 31.012 31.700 -0.806 0.000 1.755 340 F N 0.091 120.003 119.950 -0.063 0.000 2.643 340 F HA 0.489 5.016 4.527 0.001 0.000 0.314 340 F C 0.026 175.795 175.800 -0.053 0.000 1.096 340 F CA -1.277 56.709 58.000 -0.023 0.000 0.953 340 F CB 1.271 40.250 39.000 -0.035 0.000 1.345 340 F HN -0.304 nan 8.300 nan 0.000 0.468 341 I N 1.117 121.772 120.570 0.142 0.000 2.545 341 I HA 0.682 4.853 4.170 0.001 0.000 0.292 341 I C -0.937 175.212 176.117 0.052 0.000 1.040 341 I CA -0.889 60.320 61.300 -0.152 0.000 1.068 341 I CB 2.103 39.749 38.000 -0.589 0.000 1.251 341 I HN 0.434 nan 8.210 nan 0.000 0.424 342 R N 5.093 125.527 120.500 -0.109 0.000 2.621 342 R HA 0.713 5.054 4.340 0.001 0.000 0.284 342 R C -1.423 174.673 176.300 -0.340 0.000 0.998 342 R CA -0.923 55.146 56.100 -0.052 0.000 0.895 342 R CB 2.441 32.729 30.300 -0.020 0.000 1.195 342 R HN 0.490 nan 8.270 nan 0.000 0.450 343 L N 2.930 123.792 121.223 -0.601 0.000 2.357 343 L HA 0.334 4.674 4.340 0.001 0.000 0.273 343 L C 0.905 177.658 176.870 -0.196 0.000 1.080 343 L CA -0.619 53.899 54.840 -0.537 0.000 0.803 343 L CB 1.073 42.632 42.059 -0.834 0.000 1.174 343 L HN 0.765 nan 8.230 nan 0.000 0.443 344 N N 0.815 119.462 118.700 -0.088 0.000 2.328 344 N HA 0.018 4.759 4.740 0.001 0.000 0.277 344 N C -0.081 175.468 175.510 0.066 0.000 1.286 344 N CA -0.619 52.428 53.050 -0.004 0.000 0.949 344 N CB 0.876 39.365 38.487 0.003 0.000 1.136 344 N HN 0.524 nan 8.380 nan 0.000 0.550 345 E N -1.014 119.222 120.200 0.059 0.000 2.501 345 E HA 0.150 4.500 4.350 0.001 0.000 0.200 345 E C -0.645 175.967 176.600 0.019 0.000 1.016 345 E CA -0.212 56.232 56.400 0.074 0.000 0.921 345 E CB 0.207 29.948 29.700 0.068 0.000 1.034 345 E HN 0.368 nan 8.360 nan 0.000 0.468 346 K N 2.023 122.432 120.400 0.014 0.000 2.319 346 K HA 0.125 4.446 4.320 0.001 0.000 0.265 346 K C -2.259 174.328 176.600 -0.022 0.000 1.000 346 K CA -1.572 54.715 56.287 0.001 0.000 0.943 346 K CB 0.193 32.699 32.500 0.011 0.000 0.950 346 K HN 0.053 nan 8.250 nan 0.000 0.485 347 P HA -0.067 nan 4.420 nan 0.000 0.269 347 P C 0.590 177.861 177.300 -0.048 0.000 1.215 347 P CA 0.391 63.466 63.100 -0.041 0.000 0.780 347 P CB 0.645 32.332 31.700 -0.021 0.000 0.898 348 G N 1.816 110.569 108.800 -0.078 0.000 2.574 348 G HA2 -0.325 3.636 3.960 0.001 0.000 0.286 348 G HA3 -0.325 3.636 3.960 0.001 0.000 0.286 348 G C 0.869 175.655 174.900 -0.190 0.000 1.212 348 G CA 0.336 45.381 45.100 -0.092 0.000 0.979 348 G HN 0.487 nan 8.290 nan 0.000 0.557 349 L N 2.326 123.481 121.223 -0.114 0.000 2.551 349 L HA 0.295 4.635 4.340 0.001 0.000 0.228 349 L C 2.397 179.311 176.870 0.073 0.000 1.153 349 L CA 1.015 55.800 54.840 -0.092 0.000 0.851 349 L CB -0.706 41.362 42.059 0.014 0.000 0.959 349 L HN 1.955 nan 8.230 nan 0.000 0.451 350 G N 0.717 109.540 108.800 0.037 0.000 2.249 350 G HA2 -0.262 3.698 3.960 0.001 0.000 0.273 350 G HA3 -0.262 3.698 3.960 0.001 0.000 0.273 350 G C 0.118 175.048 174.900 0.051 0.000 1.036 350 G CA 0.153 45.286 45.100 0.055 0.000 0.824 350 G HN 0.193 nan 8.290 nan 0.000 0.504 351 I N -0.970 119.622 120.570 0.037 0.000 2.957 351 I HA 0.658 4.828 4.170 0.001 0.000 0.310 351 I C -0.131 175.973 176.117 -0.021 0.000 1.063 351 I CA -1.468 59.843 61.300 0.019 0.000 1.033 351 I CB 2.070 40.086 38.000 0.027 0.000 1.230 351 I HN 0.049 nan 8.210 nan 0.000 0.447 352 E N 2.910 123.083 120.200 -0.044 0.000 2.210 352 E HA 0.500 4.850 4.350 0.001 0.000 0.266 352 E C -0.908 175.605 176.600 -0.146 0.000 0.883 352 E CA -0.461 55.892 56.400 -0.079 0.000 0.761 352 E CB 1.941 31.613 29.700 -0.047 0.000 1.156 352 E HN 0.180 nan 8.360 nan 0.000 0.412 353 I N 2.713 123.130 120.570 -0.254 0.000 2.331 353 I HA 0.184 4.355 4.170 0.001 0.000 0.292 353 I C 0.146 176.128 176.117 -0.225 0.000 0.998 353 I CA -0.611 60.475 61.300 -0.356 0.000 1.267 353 I CB 0.877 38.391 38.000 -0.809 0.000 1.386 353 I HN 0.466 nan 8.210 nan 0.000 0.476 354 N N 6.602 125.199 118.700 -0.172 0.000 2.482 354 N HA 0.010 4.750 4.740 0.001 0.000 0.242 354 N C 1.020 176.453 175.510 -0.129 0.000 1.100 354 N CA -0.023 52.956 53.050 -0.117 0.000 0.946 354 N CB 0.785 39.221 38.487 -0.085 0.000 1.227 354 N HN 0.365 nan 8.380 nan 0.000 0.508 355 E N 2.287 122.419 120.200 -0.113 0.000 2.114 355 E HA -0.224 4.127 4.350 0.001 0.000 0.199 355 E C 0.570 177.114 176.600 -0.093 0.000 1.008 355 E CA 1.390 57.726 56.400 -0.106 0.000 0.810 355 E CB 0.191 29.855 29.700 -0.061 0.000 0.739 355 E HN 0.667 nan 8.360 nan 0.000 0.456 356 D N -0.226 120.134 120.400 -0.066 0.000 2.117 356 D HA -0.102 4.538 4.640 0.001 0.000 0.197 356 D C 1.902 178.167 176.300 -0.059 0.000 0.987 356 D CA 1.511 55.481 54.000 -0.050 0.000 0.829 356 D CB -0.325 40.454 40.800 -0.035 0.000 0.961 356 D HN 0.194 nan 8.370 nan 0.000 0.460 357 T N 1.691 116.202 114.554 -0.071 0.000 2.777 357 T HA -0.131 4.220 4.350 0.001 0.000 0.266 357 T C 1.995 176.637 174.700 -0.098 0.000 1.040 357 T CA 0.433 62.488 62.100 -0.075 0.000 1.141 357 T CB -0.333 68.489 68.868 -0.077 0.000 0.868 357 T HN 0.022 nan 8.240 nan 0.000 0.444 358 L N 1.312 122.453 121.223 -0.136 0.000 1.989 358 L HA -0.101 4.240 4.340 0.001 0.000 0.211 358 L C 2.502 179.287 176.870 -0.143 0.000 1.071 358 L CA 1.898 56.626 54.840 -0.186 0.000 0.749 358 L CB -0.871 41.006 42.059 -0.302 0.000 0.890 358 L HN 0.069 nan 8.230 nan 0.000 0.431 359 Q N 0.122 119.855 119.800 -0.111 0.000 2.124 359 Q HA -0.244 4.097 4.340 0.001 0.000 0.202 359 Q C 2.085 178.078 176.000 -0.011 0.000 0.977 359 Q CA 2.102 57.882 55.803 -0.038 0.000 0.850 359 Q CB -0.257 28.470 28.738 -0.018 0.000 0.901 359 Q HN 0.827 nan 8.270 nan 0.000 0.429 360 E N -1.099 119.086 120.200 -0.026 0.000 2.285 360 E HA -0.102 4.249 4.350 0.001 0.000 0.194 360 E C 1.466 178.057 176.600 -0.015 0.000 0.997 360 E CA 0.674 57.067 56.400 -0.013 0.000 0.845 360 E CB -0.175 29.514 29.700 -0.018 0.000 0.782 360 E HN 0.372 nan 8.360 nan 0.000 0.491 361 L N 1.133 122.335 121.223 -0.034 0.000 2.477 361 L HA 0.117 4.457 4.340 0.001 0.000 0.220 361 L C 0.614 177.480 176.870 -0.007 0.000 1.106 361 L CA 0.047 54.863 54.840 -0.040 0.000 0.851 361 L CB 0.090 42.099 42.059 -0.084 0.000 0.994 361 L HN 0.003 nan 8.230 nan 0.000 0.462 362 T N 0.256 114.819 114.554 0.014 0.000 2.853 362 T HA 0.057 4.408 4.350 0.001 0.000 0.298 362 T C 1.238 175.968 174.700 0.049 0.000 0.978 362 T CA -0.103 62.025 62.100 0.047 0.000 1.152 362 T CB 2.068 71.005 68.868 0.115 0.000 0.914 362 T HN -0.132 nan 8.240 nan 0.000 0.539 363 V N 3.471 123.399 119.914 0.024 0.000 2.825 363 V HA 0.262 4.383 4.120 0.001 0.000 0.246 363 V C 0.153 176.342 176.094 0.157 0.000 1.068 363 V CA 0.832 63.202 62.300 0.116 0.000 1.088 363 V CB -0.556 31.440 31.823 0.289 0.000 0.733 363 V HN 0.919 nan 8.190 nan 0.000 0.468 364 F N -0.585 119.332 119.950 -0.054 0.000 2.719 364 F HA 0.733 5.261 4.527 0.001 0.000 0.309 364 F C -1.045 174.652 175.800 -0.171 0.000 1.138 364 F CA -1.324 56.586 58.000 -0.149 0.000 0.943 364 F CB 1.139 39.971 39.000 -0.281 0.000 1.304 364 F HN 0.111 nan 8.300 nan 0.000 0.445 365 Q N 0.424 120.319 119.800 0.158 0.000 2.685 365 Q HA 0.750 5.091 4.340 0.001 0.000 0.301 365 Q C -2.347 173.781 176.000 0.213 0.000 0.924 365 Q CA -1.063 54.822 55.803 0.137 0.000 0.755 365 Q CB 3.332 32.083 28.738 0.021 0.000 1.470 365 Q HN 0.727 nan 8.270 nan 0.000 0.434 366 D N -0.436 120.034 120.400 0.117 0.000 2.671 366 D HA 0.576 5.216 4.640 0.001 0.000 0.273 366 D C -1.274 174.949 176.300 -0.127 0.000 1.264 366 D CA -0.388 53.629 54.000 0.027 0.000 0.788 366 D CB 2.183 43.015 40.800 0.054 0.000 1.324 366 D HN 0.550 nan 8.370 nan 0.000 0.424 367 I N 0.751 121.226 120.570 -0.157 0.000 2.647 367 I HA 0.432 4.602 4.170 0.001 0.000 0.295 367 I C -0.739 175.225 176.117 -0.255 0.000 1.078 367 I CA -0.959 60.172 61.300 -0.282 0.000 1.048 367 I CB 2.549 40.375 38.000 -0.291 0.000 1.239 367 I HN -0.038 nan 8.210 nan 0.000 0.421 368 V N 5.973 125.711 119.914 -0.293 0.000 2.531 368 V HA 0.601 4.721 4.120 0.001 0.000 0.301 368 V C -0.270 175.703 176.094 -0.201 0.000 1.034 368 V CA -0.573 61.593 62.300 -0.223 0.000 0.865 368 V CB 1.806 33.494 31.823 -0.226 0.000 0.995 368 V HN 0.828 nan 8.190 nan 0.000 0.424 369 R N 0.000 120.410 120.500 -0.149 0.000 2.786 369 R HA 0.000 4.340 4.340 0.001 0.000 0.208 369 R CA 0.000 56.027 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