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 1qis_1_A DATA FIRST_RESID 5 DATA SEQUENCE MFENITAAPA DPILGLADLF RADERPGKIN LGIGVYKDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKNYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGTGALRV AADFLAKNTS VKXXRXXXVW VSNPSWPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGFCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSKNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAIRAN YSNPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GRVNVAGMTP DNMAPLCEAI DATA SEQUENCE VXAVL 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.202 176.300 -0.164 0.000 1.140 5 M CA 0.000 55.099 55.300 -0.335 0.000 0.988 5 M CB 0.000 32.260 32.600 -0.567 0.000 1.302 6 F N 0.813 120.762 119.950 -0.001 0.000 2.695 6 F HA 0.410 4.953 4.527 0.026 0.000 0.303 6 F C 1.433 177.232 175.800 -0.002 0.000 1.091 6 F CA 0.151 58.150 58.000 -0.002 0.000 1.300 6 F CB -0.717 38.282 39.000 -0.001 0.000 1.071 6 F HN 0.126 nan 8.300 nan 0.000 0.578 7 E N 0.637 120.909 120.200 0.121 0.000 2.097 7 E HA -0.191 4.174 4.350 0.025 0.000 0.196 7 E C 1.303 177.942 176.600 0.064 0.000 1.000 7 E CA 1.447 57.890 56.400 0.073 0.000 0.804 7 E CB -0.280 29.436 29.700 0.028 0.000 0.740 7 E HN 0.223 nan 8.360 nan 0.000 0.454 8 N N 0.224 118.961 118.700 0.062 0.000 2.270 8 N HA 0.098 4.853 4.740 0.025 0.000 0.198 8 N C -0.251 175.288 175.510 0.049 0.000 1.117 8 N CA 0.125 53.202 53.050 0.045 0.000 0.845 8 N CB 0.384 38.891 38.487 0.034 0.000 0.980 8 N HN 0.181 nan 8.380 nan 0.000 0.486 9 I N 1.172 121.785 120.570 0.071 0.000 2.517 9 I HA -0.050 4.135 4.170 0.025 0.000 0.285 9 I C 0.980 177.111 176.117 0.024 0.000 1.106 9 I CA 0.380 61.710 61.300 0.050 0.000 1.402 9 I CB 0.509 38.540 38.000 0.052 0.000 1.399 9 I HN -0.158 nan 8.210 nan 0.000 0.535 10 T N 5.896 120.457 114.554 0.012 0.000 2.889 10 T HA 0.493 4.858 4.350 0.025 0.000 0.291 10 T C 0.219 174.915 174.700 -0.007 0.000 0.995 10 T CA -0.655 61.447 62.100 0.003 0.000 1.092 10 T CB 0.668 69.537 68.868 0.002 0.000 0.954 10 T HN 0.678 nan 8.240 nan 0.000 0.506 11 A N 3.271 126.086 122.820 -0.009 0.000 2.462 11 A HA 0.611 4.946 4.320 0.025 0.000 0.243 11 A C 0.739 178.311 177.584 -0.019 0.000 1.076 11 A CA -0.196 51.831 52.037 -0.016 0.000 0.773 11 A CB -0.255 18.737 19.000 -0.013 0.000 1.010 11 A HN 1.161 nan 8.150 nan 0.000 0.493 12 A N 3.636 126.440 122.820 -0.026 0.000 2.371 12 A HA 0.600 4.935 4.320 0.025 0.000 0.257 12 A C -1.620 175.948 177.584 -0.026 0.000 1.089 12 A CA -1.088 50.931 52.037 -0.029 0.000 0.794 12 A CB -0.506 18.472 19.000 -0.037 0.000 1.029 12 A HN 0.784 nan 8.150 nan 0.000 0.488 13 P HA 0.408 nan 4.420 nan 0.000 0.275 13 P C -0.160 177.123 177.300 -0.028 0.000 1.228 13 P CA -0.089 62.996 63.100 -0.025 0.000 0.786 13 P CB 0.891 32.575 31.700 -0.027 0.000 0.927 14 A N 2.022 124.830 122.820 -0.020 0.000 2.445 14 A HA 0.048 4.383 4.320 0.025 0.000 0.242 14 A C 0.559 178.124 177.584 -0.032 0.000 1.075 14 A CA -0.254 51.771 52.037 -0.020 0.000 0.777 14 A CB -0.208 18.790 19.000 -0.004 0.000 1.013 14 A HN 0.677 nan 8.150 nan 0.000 0.493 15 D N 2.437 122.813 120.400 -0.040 0.000 2.458 15 D HA 0.061 4.717 4.640 0.025 0.000 0.243 15 D C -1.208 175.064 176.300 -0.047 0.000 1.146 15 D CA -1.085 52.877 54.000 -0.062 0.000 0.877 15 D CB 0.971 41.730 40.800 -0.068 0.000 1.176 15 D HN 0.274 nan 8.370 nan 0.000 0.461 16 P HA -0.099 nan 4.420 nan 0.000 0.222 16 P C 1.432 178.716 177.300 -0.027 0.000 1.147 16 P CA 0.914 63.989 63.100 -0.043 0.000 0.790 16 P CB 0.570 32.233 31.700 -0.063 0.000 0.780 17 I N -1.292 119.254 120.570 -0.040 0.000 2.962 17 I HA -0.026 4.159 4.170 0.025 0.000 0.246 17 I C 2.558 178.681 176.117 0.011 0.000 1.091 17 I CA 0.256 61.553 61.300 -0.006 0.000 1.469 17 I CB -0.500 37.504 38.000 0.007 0.000 1.324 17 I HN -0.258 nan 8.210 nan 0.000 0.461 18 L N 0.884 122.106 121.223 -0.002 0.000 2.191 18 L HA -0.101 4.254 4.340 0.025 0.000 0.212 18 L C 2.482 179.359 176.870 0.012 0.000 1.103 18 L CA 1.627 56.471 54.840 0.007 0.000 0.769 18 L CB -1.126 40.932 42.059 -0.001 0.000 0.908 18 L HN 0.380 nan 8.230 nan 0.000 0.438 19 G N -0.247 108.559 108.800 0.011 0.000 2.484 19 G HA2 -0.187 3.788 3.960 0.025 0.000 0.218 19 G HA3 -0.187 3.788 3.960 0.025 0.000 0.218 19 G C 1.568 176.506 174.900 0.062 0.000 1.130 19 G CA 0.007 45.122 45.100 0.026 0.000 0.784 19 G HN 0.149 nan 8.290 nan 0.000 0.543 20 L N 1.310 122.578 121.223 0.075 0.000 2.083 20 L HA 0.096 4.451 4.340 0.025 0.000 0.209 20 L C 3.089 180.036 176.870 0.129 0.000 1.083 20 L CA 1.821 56.747 54.840 0.144 0.000 0.752 20 L CB -0.554 41.582 42.059 0.129 0.000 0.899 20 L HN 0.242 nan 8.230 nan 0.000 0.433 21 A N -1.043 121.810 122.820 0.055 0.000 1.933 21 A HA -0.207 4.128 4.320 0.025 0.000 0.218 21 A C 1.969 179.590 177.584 0.063 0.000 1.175 21 A CA 1.782 53.837 52.037 0.031 0.000 0.628 21 A CB -0.650 18.350 19.000 0.000 0.000 0.814 21 A HN 0.481 nan 8.150 nan 0.000 0.444 22 D N 0.259 120.693 120.400 0.056 0.000 2.117 22 D HA -0.129 4.526 4.640 0.025 0.000 0.197 22 D C 1.994 178.330 176.300 0.061 0.000 0.987 22 D CA 1.112 55.140 54.000 0.047 0.000 0.829 22 D CB -0.370 40.452 40.800 0.037 0.000 0.961 22 D HN 0.472 nan 8.370 nan 0.000 0.460 23 L N -0.239 121.051 121.223 0.111 0.000 1.994 23 L HA -0.160 4.195 4.340 0.025 0.000 0.208 23 L C 2.469 179.391 176.870 0.086 0.000 1.071 23 L CA 0.944 55.886 54.840 0.170 0.000 0.745 23 L CB -0.553 41.716 42.059 0.350 0.000 0.892 23 L HN -0.041 nan 8.230 nan 0.000 0.431 24 F N 0.998 120.778 119.950 -0.284 0.000 2.120 24 F HA -0.165 4.377 4.527 0.024 0.000 0.300 24 F C 1.590 177.213 175.800 -0.296 0.000 1.095 24 F CA 1.222 58.811 58.000 -0.686 0.000 1.249 24 F CB 0.036 38.548 39.000 -0.814 0.000 0.995 24 F HN -0.061 nan 8.300 nan 0.000 0.480 25 R N 0.755 121.224 120.500 -0.050 0.000 3.701 25 R HA 0.464 4.819 4.340 0.025 0.000 0.210 25 R C 0.302 176.559 176.300 -0.072 0.000 1.598 25 R CA 0.577 56.634 56.100 -0.072 0.000 1.427 25 R CB -0.451 29.857 30.300 0.013 0.000 1.339 25 R HN 0.381 nan 8.270 nan 0.000 0.720 26 A N -0.135 122.615 122.820 -0.117 0.000 2.399 26 A HA -0.077 4.258 4.320 0.025 0.000 0.208 26 A C -0.147 177.391 177.584 -0.077 0.000 2.793 26 A CA -0.384 51.614 52.037 -0.065 0.000 1.473 26 A CB -0.091 18.899 19.000 -0.017 0.000 0.580 26 A HN 0.310 nan 8.150 nan 0.000 0.500 27 D N 1.487 121.802 120.400 -0.142 0.000 2.338 27 D HA 0.280 4.935 4.640 0.025 0.000 0.255 27 D C 0.876 177.083 176.300 -0.155 0.000 1.237 27 D CA 0.056 53.984 54.000 -0.120 0.000 0.883 27 D CB 0.836 41.539 40.800 -0.162 0.000 1.087 27 D HN 0.344 nan 8.370 nan 0.000 0.485 28 E N 2.941 123.088 120.200 -0.088 0.000 2.347 28 E HA -0.054 4.311 4.350 0.025 0.000 0.196 28 E C 0.421 176.974 176.600 -0.078 0.000 1.008 28 E CA 0.233 56.585 56.400 -0.080 0.000 0.852 28 E CB 0.234 29.905 29.700 -0.049 0.000 0.783 28 E HN 0.412 nan 8.360 nan 0.000 0.505 29 R N 2.134 122.591 120.500 -0.071 0.000 2.585 29 R HA -0.028 4.327 4.340 0.025 0.000 0.275 29 R C -1.112 175.148 176.300 -0.067 0.000 1.018 29 R CA -0.671 55.399 56.100 -0.049 0.000 1.072 29 R CB 0.274 30.565 30.300 -0.016 0.000 0.953 29 R HN 0.029 nan 8.270 nan 0.000 0.419 30 P HA -0.124 nan 4.420 nan 0.000 0.214 30 P C 0.761 178.050 177.300 -0.018 0.000 1.162 30 P CA 1.388 64.469 63.100 -0.033 0.000 0.879 30 P CB 0.111 31.802 31.700 -0.015 0.000 0.786 31 G N 0.394 109.201 108.800 0.013 0.000 3.424 31 G HA2 0.105 4.080 3.960 0.025 0.000 0.263 31 G HA3 0.105 4.080 3.960 0.025 0.000 0.263 31 G C 0.003 174.953 174.900 0.083 0.000 1.310 31 G CA -0.422 44.705 45.100 0.045 0.000 1.089 31 G HN 0.349 nan 8.290 nan 0.000 0.534 32 K N 0.137 120.570 120.400 0.054 0.000 2.414 32 K HA 0.452 4.787 4.320 0.025 0.000 0.272 32 K C -0.386 176.415 176.600 0.334 0.000 0.993 32 K CA 0.191 56.572 56.287 0.157 0.000 0.964 32 K CB 1.238 33.680 32.500 -0.097 0.000 0.925 32 K HN 0.064 nan 8.250 nan 0.000 0.487 33 I N 1.397 122.246 120.570 0.466 0.000 2.466 33 I HA 0.185 4.370 4.170 0.025 0.000 0.289 33 I C -0.614 175.638 176.117 0.225 0.000 1.026 33 I CA -0.659 60.828 61.300 0.312 0.000 1.078 33 I CB 1.950 40.046 38.000 0.159 0.000 1.249 33 I HN 0.719 nan 8.210 nan 0.000 0.429 34 N N 7.194 125.756 118.700 -0.229 0.000 2.485 34 N HA 0.406 5.161 4.740 0.025 0.000 0.243 34 N C -0.407 174.934 175.510 -0.282 0.000 0.987 34 N CA -0.409 52.250 53.050 -0.651 0.000 0.940 34 N CB 0.799 38.381 38.487 -1.508 0.000 1.122 34 N HN 0.627 nan 8.380 nan 0.000 0.509 35 L N 3.147 124.297 121.223 -0.122 0.000 3.110 35 L HA 0.358 4.713 4.340 0.025 0.000 0.266 35 L C 1.464 178.332 176.870 -0.003 0.000 1.257 35 L CA -0.392 54.408 54.840 -0.066 0.000 1.038 35 L CB 0.620 42.648 42.059 -0.053 0.000 1.395 35 L HN 0.596 nan 8.230 nan 0.000 0.566 36 G N 0.507 109.288 108.800 -0.032 0.000 2.558 36 G HA2 0.101 4.076 3.960 0.025 0.000 0.218 36 G HA3 0.101 4.076 3.960 0.025 0.000 0.218 36 G C 0.514 175.456 174.900 0.069 0.000 1.567 36 G CA -0.300 44.813 45.100 0.022 0.000 0.950 36 G HN 0.111 nan 8.290 nan 0.000 0.517 37 I N 2.079 122.666 120.570 0.027 0.000 2.752 37 I HA 0.295 4.480 4.170 0.025 0.000 0.287 37 I C 1.262 177.474 176.117 0.158 0.000 1.188 37 I CA -0.024 61.325 61.300 0.083 0.000 1.427 37 I CB 0.952 38.958 38.000 0.010 0.000 1.365 37 I HN 0.221 nan 8.210 nan 0.000 0.585 38 G N 7.329 116.320 108.800 0.318 0.000 3.197 38 G HA2 0.351 4.326 3.960 0.025 0.000 0.257 38 G HA3 0.351 4.326 3.960 0.025 0.000 0.257 38 G C -0.434 174.524 174.900 0.097 0.000 0.835 38 G CA -0.200 45.097 45.100 0.328 0.000 2.001 38 G HN 0.362 nan 8.290 nan 0.000 0.625 39 V N 1.392 121.280 119.914 -0.044 0.000 2.555 39 V HA 0.291 4.426 4.120 0.025 0.000 0.302 39 V C -0.446 175.639 176.094 -0.016 0.000 1.038 39 V CA -1.326 60.865 62.300 -0.180 0.000 0.887 39 V CB 1.615 33.157 31.823 -0.469 0.000 0.991 39 V HN 0.512 nan 8.190 nan 0.000 0.434 40 Y N 4.822 125.166 120.300 0.072 0.000 2.411 40 Y HA 0.400 4.964 4.550 0.023 0.000 0.333 40 Y C 0.254 176.183 175.900 0.049 0.000 1.186 40 Y CA 0.190 58.342 58.100 0.088 0.000 1.381 40 Y CB 0.525 39.121 38.460 0.227 0.000 1.273 40 Y HN 0.559 nan 8.280 nan 0.000 0.546 41 K N 4.675 124.603 120.400 -0.786 0.000 2.371 41 K HA 0.245 4.580 4.320 0.025 0.000 0.251 41 K C -1.088 174.942 176.600 -0.951 0.000 0.934 41 K CA -1.060 54.872 56.287 -0.592 0.000 0.798 41 K CB 1.354 33.654 32.500 -0.334 0.000 1.204 41 K HN 0.745 nan 8.250 nan 0.000 0.427 42 D N 0.438 120.580 120.400 -0.430 0.000 2.478 42 D HA 0.013 4.668 4.640 0.025 0.000 0.269 42 D C 0.729 176.944 176.300 -0.141 0.000 1.232 42 D CA -0.398 53.479 54.000 -0.206 0.000 1.059 42 D CB 0.541 41.381 40.800 0.068 0.000 1.104 42 D HN 0.384 nan 8.370 nan 0.000 0.566 43 E N -1.485 118.686 120.200 -0.049 0.000 2.333 43 E HA -0.137 4.228 4.350 0.025 0.000 0.200 43 E C 1.458 178.038 176.600 -0.032 0.000 1.010 43 E CA 1.604 57.983 56.400 -0.035 0.000 0.841 43 E CB -0.386 29.313 29.700 -0.002 0.000 0.757 43 E HN 0.622 nan 8.360 nan 0.000 0.508 44 T N -4.605 109.932 114.554 -0.028 0.000 3.086 44 T HA 0.290 4.655 4.350 0.025 0.000 0.250 44 T C 1.355 176.038 174.700 -0.028 0.000 1.074 44 T CA 0.355 62.445 62.100 -0.018 0.000 0.988 44 T CB 0.374 69.241 68.868 -0.001 0.000 0.988 44 T HN 0.192 nan 8.240 nan 0.000 0.530 45 G N 1.032 109.796 108.800 -0.060 0.000 2.147 45 G HA2 -0.230 3.745 3.960 0.025 0.000 0.244 45 G HA3 -0.230 3.745 3.960 0.025 0.000 0.244 45 G C -0.154 174.712 174.900 -0.056 0.000 1.005 45 G CA 0.254 45.313 45.100 -0.069 0.000 0.713 45 G HN 0.694 nan 8.290 nan 0.000 0.515 46 K N -0.520 119.852 120.400 -0.046 0.000 2.238 46 K HA 0.693 5.028 4.320 0.025 0.000 0.239 46 K C -0.197 176.400 176.600 -0.004 0.000 0.987 46 K CA -0.484 55.795 56.287 -0.013 0.000 0.857 46 K CB 1.404 33.914 32.500 0.016 0.000 1.154 46 K HN 0.006 nan 8.250 nan 0.000 0.439 47 T N 3.656 118.233 114.554 0.038 0.000 3.250 47 T HA 0.242 4.607 4.350 0.025 0.000 0.391 47 T C -2.272 172.520 174.700 0.153 0.000 1.502 47 T CA -1.254 60.914 62.100 0.113 0.000 1.320 47 T CB 0.352 69.265 68.868 0.076 0.000 1.102 47 T HN 0.439 nan 8.240 nan 0.000 0.610 48 P HA 0.321 nan 4.420 nan 0.000 0.274 48 P C -0.278 177.120 177.300 0.164 0.000 1.237 48 P CA -0.441 62.743 63.100 0.141 0.000 0.793 48 P CB 0.904 32.678 31.700 0.123 0.000 0.977 49 V N 2.876 122.870 119.914 0.132 0.000 2.555 49 V HA 0.024 4.159 4.120 0.025 0.000 0.286 49 V C 1.166 177.330 176.094 0.116 0.000 1.044 49 V CA -0.367 62.011 62.300 0.131 0.000 1.026 49 V CB 0.112 32.001 31.823 0.109 0.000 0.981 49 V HN 0.377 nan 8.190 nan 0.000 0.480 50 L N 4.252 125.546 121.223 0.119 0.000 2.506 50 L HA 0.037 4.392 4.340 0.025 0.000 0.281 50 L C 1.804 178.725 176.870 0.086 0.000 1.228 50 L CA 0.152 55.051 54.840 0.099 0.000 0.850 50 L CB 0.087 42.213 42.059 0.111 0.000 1.110 50 L HN 0.743 nan 8.230 nan 0.000 0.496 51 T N -0.132 114.462 114.554 0.067 0.000 2.746 51 T HA -0.155 4.210 4.350 0.025 0.000 0.267 51 T C 1.944 176.681 174.700 0.062 0.000 1.039 51 T CA 1.698 63.831 62.100 0.056 0.000 1.142 51 T CB -0.075 68.816 68.868 0.039 0.000 0.866 51 T HN 0.878 nan 8.240 nan 0.000 0.444 52 S N 1.308 117.053 115.700 0.076 0.000 2.383 52 S HA -0.098 4.387 4.470 0.025 0.000 0.229 52 S C 2.153 176.799 174.600 0.077 0.000 1.030 52 S CA 0.984 59.236 58.200 0.086 0.000 1.002 52 S CB -0.954 62.336 63.200 0.149 0.000 0.829 52 S HN 0.300 nan 8.310 nan 0.000 0.467 53 V N 2.175 122.145 119.914 0.094 0.000 2.307 53 V HA -0.106 4.029 4.120 0.025 0.000 0.245 53 V C 2.852 178.984 176.094 0.063 0.000 1.045 53 V CA 1.694 64.040 62.300 0.077 0.000 1.024 53 V CB -0.591 31.294 31.823 0.104 0.000 0.651 53 V HN 0.380 nan 8.190 nan 0.000 0.449 54 K N 0.380 120.823 120.400 0.072 0.000 2.063 54 K HA -0.178 4.157 4.320 0.025 0.000 0.208 54 K C 2.150 178.789 176.600 0.066 0.000 1.048 54 K CA 1.479 57.808 56.287 0.070 0.000 0.928 54 K CB -0.374 32.165 32.500 0.065 0.000 0.713 54 K HN 0.450 nan 8.250 nan 0.000 0.442 55 K N 0.200 120.634 120.400 0.058 0.000 2.026 55 K HA -0.090 4.245 4.320 0.025 0.000 0.208 55 K C 2.186 178.827 176.600 0.069 0.000 1.048 55 K CA 1.292 57.614 56.287 0.057 0.000 0.929 55 K CB -0.158 32.365 32.500 0.039 0.000 0.713 55 K HN 0.105 nan 8.250 nan 0.000 0.439 56 A N 1.673 124.516 122.820 0.039 0.000 1.933 56 A HA -0.197 4.138 4.320 0.025 0.000 0.218 56 A C 1.877 179.512 177.584 0.086 0.000 1.175 56 A CA 1.441 53.495 52.037 0.029 0.000 0.628 56 A CB -0.345 18.627 19.000 -0.047 0.000 0.814 56 A HN 0.311 nan 8.150 nan 0.000 0.444 57 E N -0.960 119.279 120.200 0.065 0.000 2.110 57 E HA -0.250 4.115 4.350 0.025 0.000 0.193 57 E C 2.216 178.884 176.600 0.112 0.000 0.988 57 E CA 1.342 57.801 56.400 0.097 0.000 0.804 57 E CB -0.110 29.672 29.700 0.137 0.000 0.745 57 E HN 0.718 nan 8.360 nan 0.000 0.458 58 Q N 0.420 120.282 119.800 0.104 0.000 2.050 58 Q HA -0.225 4.130 4.340 0.025 0.000 0.202 58 Q C 1.878 177.932 176.000 0.090 0.000 0.980 58 Q CA 1.544 57.398 55.803 0.085 0.000 0.840 58 Q CB -0.535 28.251 28.738 0.080 0.000 0.898 58 Q HN 0.401 nan 8.270 nan 0.000 0.424 59 Y N 0.153 120.455 120.300 0.003 0.000 2.165 59 Y HA -0.209 4.353 4.550 0.020 0.000 0.286 59 Y C 1.658 177.554 175.900 -0.006 0.000 1.155 59 Y CA 1.917 60.014 58.100 -0.005 0.000 1.164 59 Y CB -0.129 38.323 38.460 -0.014 0.000 0.978 59 Y HN 0.171 nan 8.280 nan 0.000 0.513 60 L N -0.826 120.450 121.223 0.089 0.000 2.093 60 L HA -0.187 4.168 4.340 0.025 0.000 0.208 60 L C 2.404 179.247 176.870 -0.044 0.000 1.085 60 L CA 1.048 55.892 54.840 0.006 0.000 0.755 60 L CB -0.682 41.414 42.059 0.063 0.000 0.904 60 L HN 0.324 nan 8.230 nan 0.000 0.435 61 L N 0.016 121.236 121.223 -0.005 0.000 2.083 61 L HA -0.203 4.152 4.340 0.025 0.000 0.209 61 L C 2.590 179.422 176.870 -0.063 0.000 1.083 61 L CA 1.764 56.595 54.840 -0.015 0.000 0.752 61 L CB -0.426 41.639 42.059 0.010 0.000 0.899 61 L HN 0.253 nan 8.230 nan 0.000 0.433 62 E N -0.767 119.367 120.200 -0.110 0.000 2.158 62 E HA -0.118 4.247 4.350 0.025 0.000 0.191 62 E C 1.483 177.968 176.600 -0.192 0.000 0.982 62 E CA 1.388 57.705 56.400 -0.138 0.000 0.823 62 E CB -0.320 29.289 29.700 -0.152 0.000 0.766 62 E HN 0.658 nan 8.360 nan 0.000 0.468 63 N N 0.356 118.876 118.700 -0.300 0.000 2.356 63 N HA 0.031 4.786 4.740 0.025 0.000 0.178 63 N C 0.481 175.893 175.510 -0.164 0.000 1.075 63 N CA -0.002 52.869 53.050 -0.298 0.000 0.889 63 N CB 0.546 38.689 38.487 -0.573 0.000 0.999 63 N HN 0.114 nan 8.380 nan 0.000 0.464 67 T N 0.389 114.925 114.554 -0.029 0.000 2.840 67 T HA 0.571 4.936 4.350 0.025 0.000 0.317 67 T C -1.397 173.280 174.700 -0.038 0.000 1.401 67 T CA -0.595 61.485 62.100 -0.033 0.000 1.028 67 T CB 1.777 70.629 68.868 -0.026 0.000 1.317 67 T HN -0.060 nan 8.240 nan 0.000 0.495 68 K N 2.285 122.651 120.400 -0.057 0.000 2.537 68 K HA 0.251 4.586 4.320 0.025 0.000 0.206 68 K C 0.356 176.886 176.600 -0.115 0.000 1.041 68 K CA -0.483 55.759 56.287 -0.074 0.000 1.090 68 K CB -0.060 32.389 32.500 -0.086 0.000 0.833 68 K HN 0.460 nan 8.250 nan 0.000 0.493 69 N N 1.183 119.832 118.700 -0.086 0.000 2.407 69 N HA -0.117 4.638 4.740 0.025 0.000 0.250 69 N C -0.480 175.004 175.510 -0.043 0.000 1.236 69 N CA 0.286 53.283 53.050 -0.089 0.000 0.879 69 N CB 0.211 38.690 38.487 -0.014 0.000 1.088 69 N HN -0.042 nan 8.380 nan 0.000 0.450 70 Y N 1.890 122.194 120.300 0.005 0.000 2.904 70 Y HA -0.086 4.481 4.550 0.028 0.000 0.336 70 Y C 1.040 176.946 175.900 0.009 0.000 1.263 70 Y CA 0.440 58.545 58.100 0.008 0.000 1.547 70 Y CB 0.127 38.593 38.460 0.010 0.000 1.272 70 Y HN 0.292 nan 8.280 nan 0.000 0.596 71 L N 2.296 123.636 121.223 0.195 0.000 2.479 71 L HA 0.420 4.775 4.340 0.025 0.000 0.249 71 L C 1.246 178.178 176.870 0.104 0.000 1.178 71 L CA -0.511 54.396 54.840 0.112 0.000 0.811 71 L CB 0.223 42.325 42.059 0.072 0.000 1.187 71 L HN 0.796 nan 8.230 nan 0.000 0.480 72 G N -0.272 108.572 108.800 0.074 0.000 2.634 72 G HA2 0.279 4.255 3.960 0.025 0.000 0.255 72 G HA3 0.279 4.255 3.960 0.025 0.000 0.255 72 G C 0.904 175.831 174.900 0.045 0.000 1.205 72 G CA -0.505 44.626 45.100 0.052 0.000 0.884 72 G HN 0.643 nan 8.290 nan 0.000 0.549 73 I N 0.320 120.894 120.570 0.007 0.000 2.248 73 I HA -0.197 3.988 4.170 0.025 0.000 0.248 73 I C 2.122 178.256 176.117 0.029 0.000 1.107 73 I CA 1.741 63.027 61.300 -0.023 0.000 1.373 73 I CB -0.061 37.882 38.000 -0.094 0.000 1.055 73 I HN 0.591 nan 8.210 nan 0.000 0.418 74 D N 0.304 120.752 120.400 0.079 0.000 2.340 74 D HA 0.166 4.821 4.640 0.025 0.000 0.220 74 D C 1.087 177.489 176.300 0.171 0.000 1.039 74 D CA 0.810 54.917 54.000 0.178 0.000 0.866 74 D CB -0.225 40.795 40.800 0.366 0.000 0.913 74 D HN 0.384 nan 8.370 nan 0.000 0.523 75 G N 0.846 109.712 108.800 0.111 0.000 2.584 75 G HA2 -0.234 3.741 3.960 0.025 0.000 0.229 75 G HA3 -0.234 3.741 3.960 0.025 0.000 0.229 75 G C -0.439 174.502 174.900 0.069 0.000 1.320 75 G CA -0.332 44.807 45.100 0.064 0.000 0.891 75 G HN 0.304 nan 8.290 nan 0.000 0.573 76 I N 2.704 123.295 120.570 0.034 0.000 2.436 76 I HA 0.168 4.354 4.170 0.025 0.000 0.289 76 I C -0.954 175.243 176.117 0.134 0.000 1.083 76 I CA -1.423 59.914 61.300 0.063 0.000 1.372 76 I CB 1.482 39.494 38.000 0.020 0.000 1.408 76 I HN 0.287 nan 8.210 nan 0.000 0.516 77 P HA -0.201 nan 4.420 nan 0.000 0.216 77 P C 1.046 178.388 177.300 0.070 0.000 1.153 77 P CA 1.331 64.480 63.100 0.082 0.000 0.858 77 P CB 0.249 31.981 31.700 0.053 0.000 0.789 78 E N -1.604 118.633 120.200 0.060 0.000 2.110 78 E HA -0.160 4.205 4.350 0.025 0.000 0.193 78 E C 1.715 178.328 176.600 0.022 0.000 0.988 78 E CA 0.814 57.229 56.400 0.025 0.000 0.804 78 E CB -1.179 28.529 29.700 0.013 0.000 0.745 78 E HN 0.262 nan 8.360 nan 0.000 0.458 79 F N 0.850 120.755 119.950 -0.075 0.000 2.095 79 F HA -0.110 4.432 4.527 0.025 0.000 0.298 79 F C 2.160 177.931 175.800 -0.048 0.000 1.104 79 F CA 1.925 59.862 58.000 -0.104 0.000 1.232 79 F CB -0.617 38.318 39.000 -0.109 0.000 0.987 79 F HN 0.066 nan 8.300 nan 0.000 0.475 80 G N -0.097 108.746 108.800 0.071 0.000 2.418 80 G HA2 -0.257 3.718 3.960 0.025 0.000 0.217 80 G HA3 -0.257 3.718 3.960 0.025 0.000 0.217 80 G C 1.748 176.597 174.900 -0.085 0.000 1.158 80 G CA 0.820 45.916 45.100 -0.006 0.000 0.771 80 G HN 0.305 nan 8.290 nan 0.000 0.545 81 R N -0.533 119.932 120.500 -0.059 0.000 2.073 81 R HA -0.014 4.341 4.340 0.025 0.000 0.234 81 R C 2.693 178.941 176.300 -0.088 0.000 1.134 81 R CA 1.445 57.512 56.100 -0.055 0.000 0.952 81 R CB -0.841 29.440 30.300 -0.033 0.000 0.850 81 R HN 0.381 nan 8.270 nan 0.000 0.433 82 C N -0.321 118.896 119.300 -0.139 0.000 2.425 82 C HA -0.086 4.389 4.460 0.025 0.000 0.277 82 C C 2.558 177.444 174.990 -0.174 0.000 1.280 82 C CA 1.133 60.056 59.018 -0.158 0.000 1.744 82 C CB -0.867 26.744 27.740 -0.216 0.000 1.989 82 C HN 0.562 nan 8.230 nan 0.000 0.491 83 T N 0.579 114.974 114.554 -0.266 0.000 2.708 83 T HA -0.212 4.153 4.350 0.025 0.000 0.266 83 T C 1.824 176.419 174.700 -0.175 0.000 1.037 83 T CA 1.464 63.432 62.100 -0.221 0.000 1.146 83 T CB -0.310 68.366 68.868 -0.320 0.000 0.865 83 T HN 0.645 nan 8.240 nan 0.000 0.435 84 Q N 0.488 120.214 119.800 -0.125 0.000 2.124 84 Q HA -0.117 4.238 4.340 0.025 0.000 0.202 84 Q C 2.375 178.345 176.000 -0.050 0.000 0.977 84 Q CA 1.225 56.990 55.803 -0.064 0.000 0.850 84 Q CB -0.105 28.693 28.738 0.099 0.000 0.901 84 Q HN 0.612 nan 8.270 nan 0.000 0.429 85 E N 0.491 120.670 120.200 -0.034 0.000 2.072 85 E HA -0.140 4.225 4.350 0.025 0.000 0.191 85 E C 2.015 178.596 176.600 -0.032 0.000 0.985 85 E CA 0.595 56.990 56.400 -0.008 0.000 0.801 85 E CB 0.012 29.707 29.700 -0.008 0.000 0.750 85 E HN 0.301 nan 8.360 nan 0.000 0.452 86 L N 0.673 121.867 121.223 -0.049 0.000 2.046 86 L HA -0.221 4.134 4.340 0.025 0.000 0.208 86 L C 2.334 179.162 176.870 -0.070 0.000 1.077 86 L CA 1.003 55.834 54.840 -0.014 0.000 0.747 86 L CB -0.186 41.895 42.059 0.038 0.000 0.896 86 L HN 0.220 nan 8.230 nan 0.000 0.432 87 L N -1.803 119.273 121.223 -0.247 0.000 2.023 87 L HA -0.179 4.176 4.340 0.025 0.000 0.205 87 L C 2.128 178.668 176.870 -0.550 0.000 1.073 87 L CA 1.267 55.797 54.840 -0.516 0.000 0.745 87 L CB -0.388 41.019 42.059 -1.085 0.000 0.900 87 L HN 0.162 nan 8.230 nan 0.000 0.435 88 F N -0.596 119.311 119.950 -0.072 0.000 2.717 88 F HA 0.430 4.973 4.527 0.026 0.000 0.295 88 F C 1.179 176.946 175.800 -0.055 0.000 1.117 88 F CA 0.055 58.006 58.000 -0.082 0.000 1.361 88 F CB -0.217 38.736 39.000 -0.078 0.000 1.112 88 F HN 0.070 nan 8.300 nan 0.000 0.594 89 G N 0.447 109.306 108.800 0.098 0.000 2.576 89 G HA2 -0.150 3.825 3.960 0.025 0.000 0.686 89 G HA3 -0.150 3.825 3.960 0.025 0.000 0.686 89 G C 0.238 175.174 174.900 0.061 0.000 1.242 89 G CA -0.588 44.548 45.100 0.061 0.000 0.819 89 G HN 0.146 nan 8.290 nan 0.000 0.655 90 K N 0.642 121.062 120.400 0.033 0.000 2.009 90 K HA 0.013 4.348 4.320 0.025 0.000 0.210 90 K C 2.318 178.931 176.600 0.022 0.000 1.049 90 K CA 1.824 58.125 56.287 0.023 0.000 0.929 90 K CB -0.017 32.490 32.500 0.013 0.000 0.714 90 K HN 0.899 nan 8.250 nan 0.000 0.440 91 G N 0.720 109.530 108.800 0.018 0.000 3.518 91 G HA2 0.017 3.992 3.960 0.025 0.000 0.273 91 G HA3 0.017 3.992 3.960 0.025 0.000 0.273 91 G C -0.300 174.606 174.900 0.009 0.000 1.199 91 G CA -0.440 44.666 45.100 0.010 0.000 0.899 91 G HN 0.163 nan 8.290 nan 0.000 0.533 92 S N 0.087 115.801 115.700 0.024 0.000 2.558 92 S HA 0.306 4.791 4.470 0.025 0.000 0.293 92 S C 1.905 176.491 174.600 -0.025 0.000 1.292 92 S CA 0.263 58.470 58.200 0.012 0.000 1.063 92 S CB 0.852 64.089 63.200 0.063 0.000 0.831 92 S HN 0.532 nan 8.310 nan 0.000 0.499 93 A N 5.172 127.964 122.820 -0.047 0.000 1.933 93 A HA -0.034 4.301 4.320 0.025 0.000 0.218 93 A C 1.970 179.500 177.584 -0.090 0.000 1.175 93 A CA 1.350 53.352 52.037 -0.059 0.000 0.628 93 A CB -0.643 18.323 19.000 -0.057 0.000 0.814 93 A HN 0.807 nan 8.150 nan 0.000 0.444 94 L N -0.284 120.846 121.223 -0.155 0.000 2.079 94 L HA -0.184 4.171 4.340 0.025 0.000 0.210 94 L C 2.364 179.146 176.870 -0.146 0.000 1.081 94 L CA 1.566 56.267 54.840 -0.232 0.000 0.752 94 L CB -0.428 41.308 42.059 -0.538 0.000 0.896 94 L HN 0.412 nan 8.230 nan 0.000 0.433 95 I N -0.945 119.576 120.570 -0.081 0.000 2.286 95 I HA -0.240 3.945 4.170 0.025 0.000 0.245 95 I C 1.880 177.979 176.117 -0.030 0.000 1.104 95 I CA 1.322 62.608 61.300 -0.024 0.000 1.397 95 I CB -0.390 37.625 38.000 0.025 0.000 1.072 95 I HN 0.348 nan 8.210 nan 0.000 0.417 96 N N 0.573 119.254 118.700 -0.032 0.000 2.309 96 N HA -0.141 4.614 4.740 0.025 0.000 0.182 96 N C 0.696 176.187 175.510 -0.032 0.000 1.018 96 N CA 0.767 53.801 53.050 -0.027 0.000 0.876 96 N CB 0.099 38.572 38.487 -0.023 0.000 0.972 96 N HN 0.285 nan 8.380 nan 0.000 0.434 97 D N 0.631 121.005 120.400 -0.044 0.000 2.339 97 D HA 0.057 4.712 4.640 0.025 0.000 0.217 97 D C -0.145 176.129 176.300 -0.042 0.000 1.050 97 D CA 0.233 54.208 54.000 -0.041 0.000 0.856 97 D CB 0.307 41.080 40.800 -0.046 0.000 0.922 97 D HN 0.109 nan 8.370 nan 0.000 0.518 98 K N 0.183 120.555 120.400 -0.047 0.000 3.096 98 K HA -0.234 4.101 4.320 0.025 0.000 0.266 98 K C 0.790 177.355 176.600 -0.057 0.000 1.043 98 K CA 0.244 56.502 56.287 -0.049 0.000 0.758 98 K CB -1.151 31.328 32.500 -0.036 0.000 1.260 98 K HN 0.195 nan 8.250 nan 0.000 0.481 99 R N -0.197 120.259 120.500 -0.074 0.000 2.300 99 R HA 0.174 4.529 4.340 0.025 0.000 0.199 99 R C 0.601 176.851 176.300 -0.085 0.000 0.920 99 R CA 0.672 56.727 56.100 -0.074 0.000 1.046 99 R CB 0.626 30.872 30.300 -0.091 0.000 0.984 99 R HN 0.305 nan 8.270 nan 0.000 0.493 100 A N 1.146 123.908 122.820 -0.097 0.000 2.350 100 A HA 0.650 4.985 4.320 0.025 0.000 0.324 100 A C -0.706 176.790 177.584 -0.146 0.000 1.118 100 A CA -0.759 51.229 52.037 -0.082 0.000 0.783 100 A CB 1.152 20.142 19.000 -0.017 0.000 1.236 100 A HN -0.019 nan 8.150 nan 0.000 0.457 101 R N 1.117 121.471 120.500 -0.245 0.000 2.575 101 R HA 0.623 4.978 4.340 0.025 0.000 0.293 101 R C -1.290 174.727 176.300 -0.472 0.000 0.983 101 R CA -0.355 55.388 56.100 -0.594 0.000 0.887 101 R CB 1.829 31.400 30.300 -1.215 0.000 1.184 101 R HN 0.719 nan 8.270 nan 0.000 0.445 102 T N 1.237 115.593 114.554 -0.331 0.000 2.807 102 T HA 0.629 4.994 4.350 0.025 0.000 0.279 102 T C -0.489 174.345 174.700 0.224 0.000 0.993 102 T CA -0.583 61.518 62.100 0.002 0.000 0.970 102 T CB 1.832 70.722 68.868 0.038 0.000 0.950 102 T HN 0.592 nan 8.240 nan 0.000 0.441 103 A N 3.070 126.127 122.820 0.396 0.000 2.304 103 A HA 0.578 4.913 4.320 0.025 0.000 0.323 103 A C 0.073 177.845 177.584 0.313 0.000 1.195 103 A CA -0.745 51.539 52.037 0.412 0.000 0.826 103 A CB 0.792 19.988 19.000 0.327 0.000 1.184 103 A HN 0.786 nan 8.150 nan 0.000 0.496 104 Q N 1.732 121.699 119.800 0.278 0.000 2.313 104 Q HA 0.412 4.767 4.340 0.025 0.000 0.266 104 Q C -0.117 175.956 176.000 0.122 0.000 0.989 104 Q CA 0.378 56.292 55.803 0.186 0.000 0.890 104 Q CB 0.514 29.197 28.738 -0.091 0.000 1.200 104 Q HN 0.836 nan 8.270 nan 0.000 0.396 105 T N 0.761 115.367 114.554 0.087 0.000 2.901 105 T HA 0.573 4.938 4.350 0.025 0.000 0.293 105 T C -2.748 171.881 174.700 -0.118 0.000 1.084 105 T CA -2.189 59.931 62.100 0.032 0.000 1.008 105 T CB 1.724 70.659 68.868 0.112 0.000 1.170 105 T HN 0.436 nan 8.240 nan 0.000 0.509 106 P HA 0.406 nan 4.420 nan 0.000 0.252 106 P C 0.796 178.029 177.300 -0.113 0.000 1.727 106 P CA 0.868 63.816 63.100 -0.253 0.000 1.134 106 P CB -0.374 31.081 31.700 -0.408 0.000 1.876 107 G N 2.724 111.493 108.800 -0.052 0.000 2.828 107 G HA2 -0.129 3.846 3.960 0.025 0.000 0.463 107 G HA3 -0.129 3.846 3.960 0.025 0.000 0.463 107 G C 0.980 175.880 174.900 0.001 0.000 1.394 107 G CA -0.461 44.632 45.100 -0.011 0.000 0.862 107 G HN 0.451 nan 8.290 nan 0.000 0.540 108 G N -1.510 107.275 108.800 -0.025 0.000 2.443 108 G HA2 0.124 4.099 3.960 0.025 0.000 0.219 108 G HA3 0.124 4.099 3.960 0.025 0.000 0.219 108 G C 1.794 176.701 174.900 0.011 0.000 1.131 108 G CA 2.315 47.393 45.100 -0.037 0.000 0.775 108 G HN 1.160 nan 8.290 nan 0.000 0.547 109 T N 0.957 115.535 114.554 0.041 0.000 2.737 109 T HA -0.024 4.341 4.350 0.025 0.000 0.265 109 T C 2.533 177.282 174.700 0.082 0.000 1.038 109 T CA 1.340 63.517 62.100 0.127 0.000 1.144 109 T CB -0.519 68.466 68.868 0.196 0.000 0.866 109 T HN 0.326 nan 8.240 nan 0.000 0.434 110 G N 1.086 109.914 108.800 0.048 0.000 2.442 110 G HA2 -0.068 3.908 3.960 0.025 0.000 0.219 110 G HA3 -0.068 3.908 3.960 0.025 0.000 0.219 110 G C 1.793 176.756 174.900 0.106 0.000 1.141 110 G CA 0.930 46.061 45.100 0.051 0.000 0.763 110 G HN 0.580 nan 8.290 nan 0.000 0.554 111 A N 0.463 123.340 122.820 0.096 0.000 1.898 111 A HA 0.151 4.486 4.320 0.025 0.000 0.216 111 A C 2.421 180.090 177.584 0.140 0.000 1.181 111 A CA 1.142 53.255 52.037 0.126 0.000 0.620 111 A CB -0.343 18.724 19.000 0.112 0.000 0.819 111 A HN 0.352 nan 8.150 nan 0.000 0.442 112 L N -1.206 120.091 121.223 0.123 0.000 2.056 112 L HA -0.154 4.201 4.340 0.025 0.000 0.207 112 L C 2.744 179.665 176.870 0.085 0.000 1.078 112 L CA 1.576 56.492 54.840 0.127 0.000 0.749 112 L CB -0.382 41.725 42.059 0.080 0.000 0.901 112 L HN 0.343 nan 8.230 nan 0.000 0.433 113 R N 0.147 120.681 120.500 0.056 0.000 2.081 113 R HA -0.112 4.243 4.340 0.025 0.000 0.235 113 R C 2.042 178.419 176.300 0.128 0.000 1.131 113 R CA 1.569 57.704 56.100 0.058 0.000 0.960 113 R CB -0.875 29.459 30.300 0.057 0.000 0.856 113 R HN 0.101 nan 8.270 nan 0.000 0.436 114 V N 0.786 120.792 119.914 0.154 0.000 2.343 114 V HA -0.197 3.938 4.120 0.025 0.000 0.247 114 V C 2.324 178.541 176.094 0.204 0.000 1.051 114 V CA 1.911 64.307 62.300 0.161 0.000 1.036 114 V CB -0.879 31.038 31.823 0.155 0.000 0.654 114 V HN 0.536 nan 8.190 nan 0.000 0.451 115 A N -0.149 122.805 122.820 0.225 0.000 1.902 115 A HA -0.088 4.247 4.320 0.025 0.000 0.217 115 A C 2.422 180.230 177.584 0.372 0.000 1.181 115 A CA 2.005 54.226 52.037 0.306 0.000 0.623 115 A CB -0.732 18.444 19.000 0.292 0.000 0.818 115 A HN 0.555 nan 8.150 nan 0.000 0.443 116 A N 0.075 123.093 122.820 0.329 0.000 1.858 116 A HA -0.187 4.148 4.320 0.025 0.000 0.216 116 A C 1.826 179.542 177.584 0.220 0.000 1.190 116 A CA 1.923 54.155 52.037 0.326 0.000 0.617 116 A CB -0.676 18.519 19.000 0.324 0.000 0.827 116 A HN 0.436 nan 8.150 nan 0.000 0.443 117 D N -1.004 119.508 120.400 0.186 0.000 2.104 117 D HA -0.158 4.497 4.640 0.025 0.000 0.194 117 D C 1.643 178.031 176.300 0.148 0.000 0.994 117 D CA 1.552 55.634 54.000 0.136 0.000 0.830 117 D CB -0.495 40.373 40.800 0.113 0.000 0.959 117 D HN 0.483 nan 8.370 nan 0.000 0.452 118 F N 1.270 121.257 119.950 0.062 0.000 2.095 118 F HA -0.144 4.398 4.527 0.026 0.000 0.298 118 F C 2.078 177.917 175.800 0.065 0.000 1.104 118 F CA 1.216 59.248 58.000 0.053 0.000 1.232 118 F CB -0.407 38.631 39.000 0.063 0.000 0.987 118 F HN -0.098 nan 8.300 nan 0.000 0.475 119 L N 0.121 121.296 121.223 -0.080 0.000 2.056 119 L HA -0.161 4.194 4.340 0.025 0.000 0.207 119 L C 2.881 179.665 176.870 -0.144 0.000 1.078 119 L CA 1.171 55.896 54.840 -0.192 0.000 0.749 119 L CB -1.257 40.838 42.059 0.060 0.000 0.901 119 L HN 0.294 nan 8.230 nan 0.000 0.433 120 A N 0.564 123.362 122.820 -0.038 0.000 1.902 120 A HA -0.226 4.109 4.320 0.025 0.000 0.217 120 A C 2.367 179.918 177.584 -0.055 0.000 1.181 120 A CA 2.032 54.056 52.037 -0.022 0.000 0.623 120 A CB -0.401 18.614 19.000 0.024 0.000 0.818 120 A HN 0.438 nan 8.150 nan 0.000 0.443 121 K N -0.993 119.362 120.400 -0.074 0.000 2.356 121 K HA 0.066 4.401 4.320 0.025 0.000 0.195 121 K C 0.317 176.847 176.600 -0.116 0.000 1.037 121 K CA 1.358 57.603 56.287 -0.070 0.000 1.014 121 K CB -0.139 32.344 32.500 -0.029 0.000 0.815 121 K HN 0.483 nan 8.250 nan 0.000 0.507 122 N N 0.452 119.010 118.700 -0.236 0.000 2.159 122 N HA 0.003 4.758 4.740 0.025 0.000 0.217 122 N C -0.395 174.970 175.510 -0.242 0.000 1.223 122 N CA 0.129 53.023 53.050 -0.261 0.000 0.896 122 N CB 1.493 39.744 38.487 -0.394 0.000 1.064 122 N HN 0.319 nan 8.380 nan 0.000 0.518 123 T N -2.943 111.477 114.554 -0.224 0.000 2.831 123 T HA 0.341 4.706 4.350 0.025 0.000 0.287 123 T C 0.740 175.399 174.700 -0.068 0.000 1.070 123 T CA -0.569 61.451 62.100 -0.132 0.000 1.010 123 T CB 1.294 70.083 68.868 -0.133 0.000 1.264 123 T HN -0.071 nan 8.240 nan 0.000 0.532 124 S N -0.555 115.129 115.700 -0.028 0.000 2.605 124 S HA 0.239 4.724 4.470 0.025 0.000 0.217 124 S C 0.596 175.200 174.600 0.006 0.000 0.958 124 S CA -0.500 57.697 58.200 -0.005 0.000 0.919 124 S CB -0.586 62.621 63.200 0.012 0.000 0.780 124 S HN 0.631 nan 8.310 nan 0.000 0.507 125 V N 3.096 123.010 119.914 0.000 0.000 2.673 125 V HA 0.270 4.405 4.120 0.025 0.000 0.303 125 V C 0.137 176.233 176.094 0.002 0.000 1.046 125 V CA 0.141 62.449 62.300 0.013 0.000 1.126 125 V CB 0.144 31.973 31.823 0.011 0.000 0.934 125 V HN 0.569 nan 8.190 nan 0.000 0.487 134 W N 3.788 124.921 121.300 -0.278 0.000 2.361 134 W HA 0.764 5.439 4.660 0.025 0.000 0.309 134 W C -0.242 176.206 176.519 -0.119 0.000 1.122 134 W CA -0.502 56.745 57.345 -0.163 0.000 1.208 134 W CB 1.711 31.058 29.460 -0.189 0.000 1.246 134 W HN 0.393 nan 8.180 nan 0.000 0.490 135 V N 2.932 122.845 119.914 -0.002 0.000 2.769 135 V HA 0.443 4.578 4.120 0.025 0.000 0.312 135 V C 0.231 175.955 176.094 -0.616 0.000 1.061 135 V CA -1.322 60.868 62.300 -0.183 0.000 0.931 135 V CB 1.627 33.394 31.823 -0.094 0.000 1.010 135 V HN 0.558 nan 8.190 nan 0.000 0.433 136 S N 2.195 117.335 115.700 -0.934 0.000 2.584 136 S HA 0.173 4.658 4.470 0.025 0.000 0.270 136 S C -0.075 174.250 174.600 -0.459 0.000 1.346 136 S CA -0.449 57.050 58.200 -1.169 0.000 1.018 136 S CB 0.372 63.001 63.200 -0.953 0.000 0.899 136 S HN 0.881 nan 8.310 nan 0.000 0.542 137 N N 2.379 120.916 118.700 -0.272 0.000 2.518 137 N HA 0.357 5.113 4.740 0.025 0.000 0.254 137 N C -2.779 172.750 175.510 0.033 0.000 0.979 137 N CA -1.816 51.193 53.050 -0.068 0.000 0.930 137 N CB 1.523 40.009 38.487 -0.001 0.000 1.152 137 N HN 0.486 nan 8.380 nan 0.000 0.505 138 P HA 0.294 nan 4.420 nan 0.000 0.281 138 P C -0.829 176.421 177.300 -0.083 0.000 1.281 138 P CA -0.341 62.735 63.100 -0.040 0.000 0.811 138 P CB 1.918 33.582 31.700 -0.060 0.000 1.154 139 S N -1.573 114.106 115.700 -0.035 0.000 2.705 139 S HA 0.417 4.902 4.470 0.025 0.000 0.280 139 S C -1.770 172.894 174.600 0.106 0.000 1.174 139 S CA -0.634 57.604 58.200 0.063 0.000 0.823 139 S CB 0.206 63.560 63.200 0.257 0.000 1.162 139 S HN 0.456 nan 8.310 nan 0.000 0.487 140 W N 3.540 124.803 121.300 -0.061 0.000 2.417 140 W HA 0.299 4.973 4.660 0.025 0.000 0.332 140 W C -2.268 174.126 176.519 -0.209 0.000 1.413 140 W CA -1.339 55.855 57.345 -0.252 0.000 1.299 140 W CB 0.025 29.157 29.460 -0.547 0.000 1.304 140 W HN 0.540 nan 8.180 nan 0.000 0.565 141 P HA -0.285 nan 4.420 nan 0.000 0.217 141 P C 1.248 178.216 177.300 -0.552 0.000 1.148 141 P CA 2.049 64.920 63.100 -0.381 0.000 0.834 141 P CB 0.222 31.726 31.700 -0.325 0.000 0.783 142 N N -2.018 116.000 118.700 -1.137 0.000 2.515 142 N HA -0.092 4.663 4.740 0.025 0.000 0.185 142 N C 1.399 176.544 175.510 -0.608 0.000 1.109 142 N CA 0.566 52.971 53.050 -1.075 0.000 0.903 142 N CB -0.534 36.933 38.487 -1.700 0.000 0.969 142 N HN 0.303 nan 8.380 nan 0.000 0.450 143 H N -0.372 118.527 119.070 -0.285 0.000 2.293 143 H HA -0.088 4.483 4.556 0.025 0.000 0.300 143 H C 1.951 177.273 175.328 -0.011 0.000 1.082 143 H CA 1.403 57.444 56.048 -0.011 0.000 1.308 143 H CB 0.201 30.111 29.762 0.247 0.000 1.375 143 H HN 0.146 nan 8.280 nan 0.000 0.495 144 K N 0.299 120.781 120.400 0.137 0.000 2.032 144 K HA -0.183 4.152 4.320 0.025 0.000 0.209 144 K C 2.571 179.181 176.600 0.017 0.000 1.048 144 K CA 1.450 57.797 56.287 0.100 0.000 0.927 144 K CB -0.156 32.353 32.500 0.015 0.000 0.712 144 K HN 0.064 nan 8.250 nan 0.000 0.441 145 S N -0.091 115.558 115.700 -0.086 0.000 2.359 145 S HA -0.118 4.367 4.470 0.025 0.000 0.224 145 S C 1.883 176.403 174.600 -0.133 0.000 1.035 145 S CA 1.422 59.551 58.200 -0.119 0.000 1.018 145 S CB -0.175 62.914 63.200 -0.185 0.000 0.876 145 S HN 0.232 nan 8.310 nan 0.000 0.448 146 V N 1.114 120.889 119.914 -0.231 0.000 2.307 146 V HA -0.103 4.032 4.120 0.025 0.000 0.245 146 V C 2.083 178.010 176.094 -0.277 0.000 1.045 146 V CA 1.852 63.969 62.300 -0.306 0.000 1.024 146 V CB -0.878 30.665 31.823 -0.467 0.000 0.651 146 V HN 0.479 nan 8.190 nan 0.000 0.449 147 F N 0.768 120.737 119.950 0.031 0.000 2.146 147 F HA -0.077 4.466 4.527 0.026 0.000 0.298 147 F C 2.338 178.135 175.800 -0.006 0.000 1.096 147 F CA 1.151 59.160 58.000 0.014 0.000 1.275 147 F CB -1.072 37.926 39.000 -0.003 0.000 1.008 147 F HN 0.183 nan 8.300 nan 0.000 0.480 148 N N -0.106 118.667 118.700 0.121 0.000 2.223 148 N HA -0.139 4.616 4.740 0.025 0.000 0.185 148 N C 1.994 177.523 175.510 0.032 0.000 1.016 148 N CA 1.300 54.382 53.050 0.055 0.000 0.863 148 N CB -0.649 37.847 38.487 0.016 0.000 0.983 148 N HN 0.113 nan 8.380 nan 0.000 0.429 149 S N 0.355 116.062 115.700 0.012 0.000 2.383 149 S HA -0.053 4.432 4.470 0.025 0.000 0.229 149 S C 1.773 176.389 174.600 0.026 0.000 1.030 149 S CA 1.109 59.312 58.200 0.004 0.000 1.002 149 S CB -0.150 63.040 63.200 -0.017 0.000 0.829 149 S HN 0.519 nan 8.310 nan 0.000 0.467 150 A N -0.013 122.839 122.820 0.053 0.000 2.238 150 A HA 0.488 4.823 4.320 0.025 0.000 0.208 150 A C 1.506 179.125 177.584 0.059 0.000 1.177 150 A CA 0.768 52.846 52.037 0.069 0.000 0.804 150 A CB -0.640 18.429 19.000 0.116 0.000 0.823 150 A HN 0.893 nan 8.150 nan 0.000 0.482 151 G N -1.203 107.627 108.800 0.050 0.000 2.132 151 G HA2 -0.190 3.785 3.960 0.025 0.000 0.228 151 G HA3 -0.190 3.785 3.960 0.025 0.000 0.228 151 G C 0.028 174.947 174.900 0.031 0.000 1.000 151 G CA 0.406 45.525 45.100 0.032 0.000 0.693 151 G HN 0.427 nan 8.290 nan 0.000 0.515 155 V N 4.194 124.008 119.914 -0.165 0.000 2.398 155 V HA 0.682 4.817 4.120 0.025 0.000 0.286 155 V C 0.034 175.925 176.094 -0.338 0.000 1.026 155 V CA -0.704 61.457 62.300 -0.232 0.000 0.868 155 V CB 1.436 33.209 31.823 -0.084 0.000 0.982 155 V HN 0.459 nan 8.190 nan 0.000 0.443 156 R N 2.805 122.955 120.500 -0.583 0.000 2.778 156 R HA 0.609 4.964 4.340 0.025 0.000 0.277 156 R C -0.638 175.339 176.300 -0.537 0.000 0.977 156 R CA -0.667 54.955 56.100 -0.798 0.000 0.950 156 R CB 2.498 31.740 30.300 -1.763 0.000 1.165 156 R HN 0.752 nan 8.270 nan 0.000 0.474 157 E N 1.792 121.838 120.200 -0.257 0.000 2.207 157 E HA 0.282 4.647 4.350 0.025 0.000 0.270 157 E C -1.080 175.701 176.600 0.301 0.000 0.927 157 E CA -0.759 55.635 56.400 -0.010 0.000 0.799 157 E CB 1.829 31.507 29.700 -0.037 0.000 1.172 157 E HN 0.419 nan 8.360 nan 0.000 0.404 158 Y N -0.465 119.963 120.300 0.214 0.000 2.429 158 Y HA 0.715 5.280 4.550 0.025 0.000 0.342 158 Y C -0.216 175.761 175.900 0.128 0.000 1.004 158 Y CA -1.507 56.703 58.100 0.182 0.000 1.075 158 Y CB 0.769 39.283 38.460 0.091 0.000 1.214 158 Y HN 0.512 nan 8.280 nan 0.000 0.455 159 A N 2.880 125.870 122.820 0.284 0.000 2.507 159 A HA 0.292 4.627 4.320 0.025 0.000 0.235 159 A C -0.651 177.110 177.584 0.295 0.000 1.070 159 A CA 0.617 52.773 52.037 0.198 0.000 0.768 159 A CB -0.135 18.933 19.000 0.113 0.000 1.011 159 A HN 1.088 nan 8.150 nan 0.000 0.502 160 Y N 0.211 120.547 120.300 0.060 0.000 3.315 160 Y HA 0.207 4.772 4.550 0.025 0.000 0.189 160 Y C -0.339 175.601 175.900 0.067 0.000 0.984 160 Y CA 0.067 58.195 58.100 0.046 0.000 1.679 160 Y CB 0.121 38.542 38.460 -0.065 0.000 1.450 160 Y HN 0.656 nan 8.280 nan 0.000 0.351 161 Y N 3.099 123.448 120.300 0.082 0.000 2.313 161 Y HA 0.390 4.956 4.550 0.026 0.000 0.332 161 Y C -0.639 175.257 175.900 -0.007 0.000 1.071 161 Y CA -1.128 56.979 58.100 0.011 0.000 1.169 161 Y CB 0.742 39.260 38.460 0.095 0.000 1.192 161 Y HN 0.147 nan 8.280 nan 0.000 0.487 162 D N 4.921 124.984 120.400 -0.561 0.000 2.456 162 D HA 0.287 4.942 4.640 0.025 0.000 0.219 162 D C 0.565 176.285 176.300 -0.968 0.000 1.126 162 D CA 0.163 53.846 54.000 -0.528 0.000 0.890 162 D CB 1.132 41.721 40.800 -0.352 0.000 1.025 162 D HN 0.765 nan 8.370 nan 0.000 0.511 163 A N 3.898 126.281 122.820 -0.728 0.000 2.019 163 A HA -0.143 4.192 4.320 0.025 0.000 0.219 163 A C 1.891 179.080 177.584 -0.658 0.000 1.164 163 A CA 1.098 52.784 52.037 -0.585 0.000 0.644 163 A CB -0.191 18.739 19.000 -0.117 0.000 0.805 163 A HN 0.652 nan 8.150 nan 0.000 0.449 164 E N -0.403 119.470 120.200 -0.544 0.000 2.076 164 E HA -0.104 4.261 4.350 0.025 0.000 0.190 164 E C 0.846 177.048 176.600 -0.662 0.000 0.979 164 E CA 0.963 57.061 56.400 -0.503 0.000 0.807 164 E CB 0.006 29.537 29.700 -0.283 0.000 0.761 164 E HN 0.570 nan 8.360 nan 0.000 0.454 165 N N -0.020 118.345 118.700 -0.558 0.000 2.280 165 N HA -0.010 4.745 4.740 0.025 0.000 0.192 165 N C -0.833 174.486 175.510 -0.319 0.000 1.109 165 N CA 0.230 53.059 53.050 -0.368 0.000 0.855 165 N CB 0.295 38.660 38.487 -0.203 0.000 0.974 165 N HN 0.164 nan 8.380 nan 0.000 0.482 166 H N -0.577 118.264 119.070 -0.382 0.000 2.672 166 H HA -0.151 4.420 4.556 0.025 0.000 0.325 166 H C -0.350 174.935 175.328 -0.072 0.000 1.158 166 H CA 1.001 56.862 56.048 -0.312 0.000 1.134 166 H CB -1.991 27.533 29.762 -0.396 0.000 1.553 166 H HN 0.084 nan 8.280 nan 0.000 0.419 167 T N 0.456 114.904 114.554 -0.178 0.000 2.864 167 T HA 0.435 4.800 4.350 0.025 0.000 0.299 167 T C -0.564 174.093 174.700 -0.073 0.000 1.166 167 T CA -0.921 61.157 62.100 -0.037 0.000 1.007 167 T CB 1.928 70.756 68.868 -0.066 0.000 1.219 167 T HN 0.263 nan 8.240 nan 0.000 0.506 168 L N 3.310 124.495 121.223 -0.063 0.000 2.369 168 L HA 0.438 4.793 4.340 0.025 0.000 0.279 168 L C -0.114 176.676 176.870 -0.133 0.000 1.108 168 L CA 0.014 54.736 54.840 -0.196 0.000 0.852 168 L CB 0.417 42.322 42.059 -0.257 0.000 1.169 168 L HN 0.484 nan 8.230 nan 0.000 0.452 169 D N 4.209 124.519 120.400 -0.150 0.000 2.517 169 D HA -0.021 4.635 4.640 0.025 0.000 0.220 169 D C 0.882 177.162 176.300 -0.035 0.000 1.158 169 D CA 0.032 53.985 54.000 -0.078 0.000 0.992 169 D CB -0.037 40.709 40.800 -0.090 0.000 1.058 169 D HN 0.580 nan 8.370 nan 0.000 0.516 170 F N 2.038 121.904 119.950 -0.140 0.000 2.134 170 F HA -0.156 4.386 4.527 0.025 0.000 0.299 170 F C 1.794 177.559 175.800 -0.058 0.000 1.097 170 F CA 1.241 59.173 58.000 -0.112 0.000 1.264 170 F CB 0.327 39.263 39.000 -0.106 0.000 1.001 170 F HN 0.282 nan 8.300 nan 0.000 0.479 171 D N -0.032 120.363 120.400 -0.008 0.000 2.117 171 D HA -0.147 4.508 4.640 0.025 0.000 0.197 171 D C 2.350 178.586 176.300 -0.107 0.000 0.987 171 D CA 1.402 55.364 54.000 -0.065 0.000 0.829 171 D CB -0.446 40.352 40.800 -0.003 0.000 0.961 171 D HN 0.348 nan 8.370 nan 0.000 0.460 172 A N 1.076 123.851 122.820 -0.076 0.000 1.933 172 A HA -0.119 4.216 4.320 0.025 0.000 0.218 172 A C 2.293 179.836 177.584 -0.067 0.000 1.175 172 A CA 0.776 52.782 52.037 -0.053 0.000 0.628 172 A CB -0.764 18.221 19.000 -0.026 0.000 0.814 172 A HN 0.261 nan 8.150 nan 0.000 0.444 173 L N -0.272 120.878 121.223 -0.123 0.000 1.989 173 L HA -0.191 4.164 4.340 0.025 0.000 0.211 173 L C 2.279 179.014 176.870 -0.226 0.000 1.071 173 L CA 1.595 56.361 54.840 -0.123 0.000 0.749 173 L CB -0.253 41.674 42.059 -0.219 0.000 0.890 173 L HN 0.315 nan 8.230 nan 0.000 0.431 174 I N 0.512 120.871 120.570 -0.351 0.000 2.163 174 I HA -0.294 3.891 4.170 0.025 0.000 0.243 174 I C 2.217 178.255 176.117 -0.132 0.000 1.085 174 I CA 1.430 62.574 61.300 -0.261 0.000 1.347 174 I CB -1.780 36.052 38.000 -0.279 0.000 1.044 174 I HN 0.438 nan 8.210 nan 0.000 0.408 175 N N 0.642 119.279 118.700 -0.105 0.000 2.223 175 N HA -0.112 4.644 4.740 0.025 0.000 0.185 175 N C 2.031 177.509 175.510 -0.054 0.000 1.016 175 N CA 1.139 54.154 53.050 -0.059 0.000 0.863 175 N CB -0.376 38.088 38.487 -0.038 0.000 0.983 175 N HN 0.230 nan 8.380 nan 0.000 0.429 176 S N 0.751 116.417 115.700 -0.056 0.000 2.368 176 S HA 0.115 4.600 4.470 0.025 0.000 0.224 176 S C 1.894 176.381 174.600 -0.188 0.000 1.029 176 S CA 0.432 58.615 58.200 -0.029 0.000 0.988 176 S CB -0.073 63.169 63.200 0.070 0.000 0.838 176 S HN 0.245 nan 8.310 nan 0.000 0.462 177 L N 1.485 122.529 121.223 -0.298 0.000 2.465 177 L HA 0.020 4.375 4.340 0.025 0.000 0.224 177 L C 1.534 178.215 176.870 -0.315 0.000 1.145 177 L CA 0.534 55.025 54.840 -0.582 0.000 0.834 177 L CB -0.592 41.066 42.059 -0.668 0.000 0.944 177 L HN 0.349 nan 8.230 nan 0.000 0.451 178 N N -0.281 118.348 118.700 -0.119 0.000 2.520 178 N HA -0.179 4.576 4.740 0.025 0.000 0.185 178 N C 1.568 177.050 175.510 -0.046 0.000 1.068 178 N CA 0.370 53.412 53.050 -0.013 0.000 0.911 178 N CB 0.135 38.617 38.487 -0.008 0.000 0.961 178 N HN 0.318 nan 8.380 nan 0.000 0.446 179 E N 0.345 120.451 120.200 -0.157 0.000 2.478 179 E HA 0.102 4.467 4.350 0.025 0.000 0.194 179 E C -0.228 176.301 176.600 -0.119 0.000 1.045 179 E CA -0.241 56.119 56.400 -0.066 0.000 0.868 179 E CB 0.311 30.053 29.700 0.070 0.000 0.885 179 E HN 0.262 nan 8.360 nan 0.000 0.505 180 A N 1.372 123.907 122.820 -0.475 0.000 2.366 180 A HA 0.235 4.570 4.320 0.025 0.000 0.272 180 A C -0.038 177.598 177.584 0.087 0.000 1.135 180 A CA -0.274 51.473 52.037 -0.485 0.000 0.804 180 A CB 0.549 18.708 19.000 -1.401 0.000 1.064 180 A HN 0.117 nan 8.150 nan 0.000 0.499 181 Q N 0.686 120.599 119.800 0.189 0.000 2.249 181 Q HA 0.555 4.910 4.340 0.025 0.000 0.226 181 Q C 0.337 176.506 176.000 0.281 0.000 0.983 181 Q CA -0.388 55.543 55.803 0.213 0.000 0.930 181 Q CB 1.168 30.007 28.738 0.168 0.000 1.193 181 Q HN 0.908 nan 8.270 nan 0.000 0.508 182 A N 0.290 123.224 122.820 0.189 0.000 2.488 182 A HA 0.449 4.784 4.320 0.025 0.000 0.249 182 A C 0.979 178.666 177.584 0.172 0.000 1.083 182 A CA 0.729 52.864 52.037 0.163 0.000 0.768 182 A CB -0.738 18.306 19.000 0.073 0.000 1.017 182 A HN 0.927 nan 8.150 nan 0.000 0.496 183 G N 2.138 111.059 108.800 0.202 0.000 2.195 183 G HA2 -0.165 3.810 3.960 0.025 0.000 0.224 183 G HA3 -0.165 3.810 3.960 0.025 0.000 0.224 183 G C -0.107 174.896 174.900 0.171 0.000 0.990 183 G CA 0.232 45.429 45.100 0.162 0.000 0.639 183 G HN 0.775 nan 8.290 nan 0.000 0.514 184 D N 0.175 120.709 120.400 0.224 0.000 2.283 184 D HA 0.544 5.199 4.640 0.025 0.000 0.248 184 D C 0.594 176.988 176.300 0.157 0.000 1.072 184 D CA -0.157 53.961 54.000 0.196 0.000 0.929 184 D CB 1.815 42.770 40.800 0.258 0.000 1.182 184 D HN 0.151 nan 8.370 nan 0.000 0.433 185 V N 1.751 121.720 119.914 0.092 0.000 2.509 185 V HA 0.319 4.454 4.120 0.025 0.000 0.284 185 V C 0.113 176.176 176.094 -0.052 0.000 1.047 185 V CA -0.638 61.675 62.300 0.021 0.000 0.952 185 V CB 1.689 33.471 31.823 -0.067 0.000 0.988 185 V HN 0.220 nan 8.190 nan 0.000 0.469 186 V N 5.810 125.635 119.914 -0.149 0.000 2.378 186 V HA 0.332 4.467 4.120 0.025 0.000 0.288 186 V C -0.207 175.577 176.094 -0.516 0.000 1.016 186 V CA -0.593 61.470 62.300 -0.394 0.000 0.840 186 V CB 1.689 33.076 31.823 -0.727 0.000 0.994 186 V HN 0.629 nan 8.190 nan 0.000 0.431 187 L N 6.137 127.113 121.223 -0.412 0.000 2.313 187 L HA 0.537 4.892 4.340 0.025 0.000 0.282 187 L C -1.135 175.494 176.870 -0.402 0.000 1.092 187 L CA 0.586 55.216 54.840 -0.350 0.000 0.831 187 L CB 0.515 42.406 42.059 -0.281 0.000 1.159 187 L HN 0.462 nan 8.230 nan 0.000 0.442 188 F N 3.725 123.556 119.950 -0.197 0.000 2.508 188 F HA 0.443 4.985 4.527 0.025 0.000 0.325 188 F C 0.690 176.592 175.800 0.171 0.000 1.090 188 F CA -0.676 57.299 58.000 -0.041 0.000 0.945 188 F CB 1.177 39.874 39.000 -0.505 0.000 1.156 188 F HN 0.443 nan 8.300 nan 0.000 0.463 189 H N 1.169 120.527 119.070 0.479 0.000 2.582 189 H HA 0.182 4.753 4.556 0.025 0.000 0.345 189 H C 0.908 176.642 175.328 0.676 0.000 1.104 189 H CA 0.045 56.382 56.048 0.481 0.000 1.390 189 H CB 1.593 31.590 29.762 0.391 0.000 1.461 189 H HN 0.916 nan 8.280 nan 0.000 0.551 190 G N 2.725 112.010 108.800 0.808 0.000 2.453 190 G HA2 -0.133 3.842 3.960 0.025 0.000 0.215 190 G HA3 -0.133 3.842 3.960 0.025 0.000 0.215 190 G C -0.206 175.264 174.900 0.949 0.000 1.201 190 G CA 0.985 46.640 45.100 0.925 0.000 0.784 190 G HN 0.468 nan 8.290 nan 0.000 0.545 191 F N -3.716 116.610 119.950 0.627 0.000 2.799 191 F HA 0.377 4.918 4.527 0.025 0.000 0.316 191 F C -0.480 175.563 175.800 0.404 0.000 1.155 191 F CA -0.987 57.318 58.000 0.508 0.000 0.916 191 F CB 0.847 40.087 39.000 0.400 0.000 1.294 191 F HN 0.170 nan 8.300 nan 0.000 0.447 192 C N 3.145 122.621 119.300 0.293 0.000 3.873 192 C HA -0.197 4.278 4.460 0.025 0.000 0.302 192 C C 0.347 175.442 174.990 0.175 0.000 1.266 192 C CA 0.062 59.172 59.018 0.154 0.000 2.185 192 C CB -3.008 24.722 27.740 -0.016 0.000 1.380 192 C HN 0.867 nan 8.230 nan 0.000 0.623 193 H N 2.013 121.145 119.070 0.102 0.000 3.125 193 H HA 0.038 4.610 4.556 0.026 0.000 0.310 193 H C 0.548 175.905 175.328 0.049 0.000 0.980 193 H CA 1.523 57.610 56.048 0.064 0.000 1.422 193 H CB 0.412 30.125 29.762 -0.081 0.000 1.432 193 H HN 0.815 nan 8.280 nan 0.000 0.577 194 N N 6.581 125.123 118.700 -0.264 0.000 2.425 194 N HA 0.139 4.894 4.740 0.025 0.000 0.268 194 N C -1.953 173.285 175.510 -0.454 0.000 0.991 194 N CA -1.886 51.080 53.050 -0.139 0.000 0.931 194 N CB 1.366 39.922 38.487 0.115 0.000 1.130 194 N HN 0.441 nan 8.380 nan 0.000 0.493 195 P HA 0.053 nan 4.420 nan 0.000 0.267 195 P C 0.925 178.017 177.300 -0.347 0.000 1.289 195 P CA 0.369 63.250 63.100 -0.365 0.000 0.866 195 P CB 0.344 31.820 31.700 -0.373 0.000 1.309 196 T N -4.395 109.980 114.554 -0.299 0.000 2.985 196 T HA 0.164 4.529 4.350 0.025 0.000 0.266 196 T C 1.761 176.469 174.700 0.013 0.000 1.076 196 T CA 1.273 63.175 62.100 -0.329 0.000 1.135 196 T CB -1.242 67.326 68.868 -0.500 0.000 0.890 196 T HN 0.177 nan 8.240 nan 0.000 0.480 197 G N 1.294 110.170 108.800 0.127 0.000 2.184 197 G HA2 -0.186 3.789 3.960 0.025 0.000 0.264 197 G HA3 -0.186 3.789 3.960 0.025 0.000 0.264 197 G C 0.027 175.012 174.900 0.143 0.000 0.975 197 G CA 0.152 45.336 45.100 0.141 0.000 0.642 197 G HN 0.588 nan 8.290 nan 0.000 0.536 198 I N 1.931 122.583 120.570 0.137 0.000 2.315 198 I HA 0.432 4.617 4.170 0.025 0.000 0.291 198 I C -0.449 175.715 176.117 0.078 0.000 1.006 198 I CA -0.720 60.649 61.300 0.114 0.000 1.265 198 I CB 1.099 39.183 38.000 0.140 0.000 1.387 198 I HN 0.003 nan 8.210 nan 0.000 0.475 199 D N 7.644 128.036 120.400 -0.015 0.000 2.433 199 D HA 0.507 5.162 4.640 0.025 0.000 0.236 199 D C -2.419 173.794 176.300 -0.144 0.000 1.026 199 D CA -1.297 52.628 54.000 -0.126 0.000 0.884 199 D CB 1.861 42.296 40.800 -0.609 0.000 1.384 199 D HN 0.167 nan 8.370 nan 0.000 0.477 200 P HA 0.129 nan 4.420 nan 0.000 0.272 200 P C 0.110 177.325 177.300 -0.143 0.000 1.223 200 P CA -0.236 62.612 63.100 -0.420 0.000 0.784 200 P CB 0.407 31.489 31.700 -1.030 0.000 0.923 201 T N -0.686 113.804 114.554 -0.107 0.000 2.754 201 T HA 0.081 4.446 4.350 0.025 0.000 0.286 201 T C 1.221 176.057 174.700 0.226 0.000 0.997 201 T CA -0.674 61.483 62.100 0.094 0.000 0.982 201 T CB 0.200 69.063 68.868 -0.008 0.000 1.027 201 T HN 0.205 nan 8.240 nan 0.000 0.529 202 L N 0.158 121.560 121.223 0.297 0.000 2.131 202 L HA -0.075 4.280 4.340 0.025 0.000 0.210 202 L C 2.513 179.525 176.870 0.237 0.000 1.092 202 L CA 1.876 56.928 54.840 0.353 0.000 0.759 202 L CB -0.859 41.340 42.059 0.232 0.000 0.903 202 L HN 0.830 nan 8.230 nan 0.000 0.435 203 E N -0.620 119.641 120.200 0.101 0.000 2.072 203 E HA -0.255 4.110 4.350 0.025 0.000 0.191 203 E C 2.082 178.673 176.600 -0.015 0.000 0.985 203 E CA 1.080 57.500 56.400 0.034 0.000 0.801 203 E CB -0.012 29.675 29.700 -0.022 0.000 0.750 203 E HN 0.609 nan 8.360 nan 0.000 0.452 204 Q N -0.421 119.282 119.800 -0.161 0.000 2.124 204 Q HA -0.180 4.175 4.340 0.025 0.000 0.202 204 Q C 1.801 177.788 176.000 -0.022 0.000 0.977 204 Q CA 1.338 56.908 55.803 -0.388 0.000 0.850 204 Q CB -0.152 28.080 28.738 -0.843 0.000 0.901 204 Q HN 0.418 nan 8.270 nan 0.000 0.429 205 W N 0.920 122.298 121.300 0.130 0.000 2.388 205 W HA -0.172 4.504 4.660 0.026 0.000 0.294 205 W C 2.322 178.925 176.519 0.140 0.000 1.212 205 W CA 0.702 58.189 57.345 0.237 0.000 1.271 205 W CB 0.081 29.715 29.460 0.289 0.000 1.126 205 W HN 0.212 nan 8.180 nan 0.000 0.535 206 Q N -0.675 119.301 119.800 0.295 0.000 2.119 206 Q HA -0.157 4.198 4.340 0.025 0.000 0.201 206 Q C 2.066 178.111 176.000 0.074 0.000 0.972 206 Q CA 2.102 57.983 55.803 0.129 0.000 0.847 206 Q CB -0.401 28.391 28.738 0.090 0.000 0.903 206 Q HN 0.152 nan 8.270 nan 0.000 0.433 207 T N 0.853 115.481 114.554 0.123 0.000 2.737 207 T HA -0.091 4.274 4.350 0.025 0.000 0.265 207 T C 1.740 176.536 174.700 0.159 0.000 1.038 207 T CA 0.840 63.024 62.100 0.140 0.000 1.144 207 T CB -0.161 68.838 68.868 0.218 0.000 0.866 207 T HN 0.183 nan 8.240 nan 0.000 0.434 208 L N 0.709 122.086 121.223 0.258 0.000 2.083 208 L HA -0.092 4.263 4.340 0.025 0.000 0.209 208 L C 2.982 179.884 176.870 0.053 0.000 1.083 208 L CA 1.128 56.145 54.840 0.295 0.000 0.752 208 L CB -0.603 41.726 42.059 0.449 0.000 0.899 208 L HN 0.244 nan 8.230 nan 0.000 0.433 209 A N 0.248 122.865 122.820 -0.339 0.000 1.902 209 A HA -0.232 4.103 4.320 0.025 0.000 0.217 209 A C 2.292 179.711 177.584 -0.275 0.000 1.181 209 A CA 1.670 53.208 52.037 -0.832 0.000 0.623 209 A CB -0.498 18.026 19.000 -0.793 0.000 0.818 209 A HN 0.616 nan 8.150 nan 0.000 0.443 210 Q N -0.858 118.847 119.800 -0.159 0.000 2.123 210 Q HA -0.082 4.273 4.340 0.025 0.000 0.199 210 Q C 1.961 177.876 176.000 -0.141 0.000 0.966 210 Q CA 1.460 57.183 55.803 -0.133 0.000 0.845 210 Q CB -0.551 28.133 28.738 -0.089 0.000 0.907 210 Q HN 0.445 nan 8.270 nan 0.000 0.439 211 L N 2.430 123.592 121.223 -0.101 0.000 2.017 211 L HA -0.158 4.197 4.340 0.025 0.000 0.208 211 L C 2.494 179.105 176.870 -0.430 0.000 1.073 211 L CA 2.408 57.134 54.840 -0.189 0.000 0.745 211 L CB -0.647 41.380 42.059 -0.055 0.000 0.894 211 L HN 0.426 nan 8.230 nan 0.000 0.432 212 S N -2.169 113.423 115.700 -0.179 0.000 2.402 212 S HA -0.143 4.342 4.470 0.025 0.000 0.229 212 S C 2.024 176.554 174.600 -0.118 0.000 1.021 212 S CA 1.104 59.220 58.200 -0.140 0.000 0.974 212 S CB -1.102 62.573 63.200 0.793 0.000 0.800 212 S HN 0.284 nan 8.310 nan 0.000 0.484 213 V N 1.632 121.459 119.914 -0.144 0.000 2.548 213 V HA -0.074 4.061 4.120 0.025 0.000 0.249 213 V C 2.548 178.495 176.094 -0.245 0.000 1.055 213 V CA 1.981 64.110 62.300 -0.285 0.000 1.065 213 V CB -0.409 31.154 31.823 -0.435 0.000 0.681 213 V HN 0.585 nan 8.190 nan 0.000 0.462 214 E N -0.733 119.302 120.200 -0.275 0.000 2.112 214 E HA -0.125 4.240 4.350 0.025 0.000 0.190 214 E C 1.846 178.257 176.600 -0.316 0.000 0.979 214 E CA 0.662 56.909 56.400 -0.254 0.000 0.814 214 E CB 0.129 29.688 29.700 -0.236 0.000 0.762 214 E HN 0.404 nan 8.360 nan 0.000 0.460 215 K N -0.667 119.404 120.400 -0.549 0.000 2.426 215 K HA 0.059 4.394 4.320 0.025 0.000 0.193 215 K C 0.881 177.199 176.600 -0.470 0.000 1.028 215 K CA 0.753 56.649 56.287 -0.651 0.000 1.047 215 K CB 0.881 32.591 32.500 -1.318 0.000 0.821 215 K HN 0.266 nan 8.250 nan 0.000 0.513 216 G N 1.753 110.363 108.800 -0.317 0.000 2.198 216 G HA2 -0.176 3.799 3.960 0.025 0.000 0.257 216 G HA3 -0.176 3.799 3.960 0.025 0.000 0.257 216 G C -0.452 174.530 174.900 0.137 0.000 1.042 216 G CA -0.205 44.859 45.100 -0.060 0.000 0.791 216 G HN 0.096 nan 8.290 nan 0.000 0.502 217 W N -0.941 120.442 121.300 0.137 0.000 2.313 217 W HA 0.685 5.360 4.660 0.025 0.000 0.328 217 W C 0.285 176.932 176.519 0.214 0.000 1.197 217 W CA -1.755 55.677 57.345 0.146 0.000 1.235 217 W CB 0.724 30.269 29.460 0.142 0.000 1.158 217 W HN 0.202 nan 8.180 nan 0.000 0.578 218 L N 5.701 127.165 121.223 0.402 0.000 2.257 218 L HA 0.468 4.823 4.340 0.025 0.000 0.290 218 L C -2.380 174.650 176.870 0.267 0.000 1.044 218 L CA -1.977 53.050 54.840 0.312 0.000 0.810 218 L CB 0.638 42.833 42.059 0.228 0.000 1.193 218 L HN 0.001 nan 8.230 nan 0.000 0.425 219 P HA 0.287 nan 4.420 nan 0.000 0.280 219 P C -1.492 175.895 177.300 0.145 0.000 1.244 219 P CA -0.353 62.867 63.100 0.201 0.000 0.784 219 P CB 1.174 32.972 31.700 0.164 0.000 0.913 220 L N 4.982 126.215 121.223 0.016 0.000 2.372 220 L HA 0.558 4.913 4.340 0.025 0.000 0.274 220 L C -1.647 175.210 176.870 -0.022 0.000 0.988 220 L CA -0.637 54.247 54.840 0.075 0.000 0.833 220 L CB 0.255 42.340 42.059 0.044 0.000 1.236 220 L HN 0.120 nan 8.230 nan 0.000 0.410 221 F N 3.087 123.078 119.950 0.069 0.000 2.421 221 F HA 0.400 4.942 4.527 0.025 0.000 0.337 221 F C 0.392 176.246 175.800 0.090 0.000 1.105 221 F CA -0.294 57.744 58.000 0.063 0.000 1.049 221 F CB 1.359 40.303 39.000 -0.093 0.000 1.139 221 F HN 0.449 nan 8.300 nan 0.000 0.479 222 D N 3.588 124.137 120.400 0.248 0.000 2.427 222 D HA 0.148 4.803 4.640 0.025 0.000 0.226 222 D C -1.436 175.040 176.300 0.294 0.000 1.076 222 D CA -0.226 53.879 54.000 0.174 0.000 0.849 222 D CB 0.265 41.089 40.800 0.040 0.000 1.052 222 D HN 0.194 nan 8.370 nan 0.000 0.515 223 F N 3.328 123.309 119.950 0.052 0.000 2.307 223 F HA 0.506 5.049 4.527 0.026 0.000 0.369 223 F C 0.502 176.254 175.800 -0.080 0.000 1.076 223 F CA -1.052 56.971 58.000 0.039 0.000 1.149 223 F CB 1.031 40.028 39.000 -0.006 0.000 1.410 223 F HN 0.445 nan 8.300 nan 0.000 0.481 224 A N 3.623 126.366 122.820 -0.129 0.000 2.343 224 A HA 0.184 4.519 4.320 0.025 0.000 0.223 224 A C -0.184 177.010 177.584 -0.649 0.000 1.214 224 A CA 0.297 52.079 52.037 -0.425 0.000 0.900 224 A CB -0.150 18.511 19.000 -0.566 0.000 0.942 224 A HN 0.555 nan 8.150 nan 0.000 0.507 225 Y N 0.131 120.346 120.300 -0.141 0.000 2.666 225 Y HA 0.300 4.865 4.550 0.026 0.000 0.264 225 Y C 0.503 176.428 175.900 0.041 0.000 1.054 225 Y CA -0.835 57.277 58.100 0.021 0.000 1.121 225 Y CB 0.054 38.523 38.460 0.014 0.000 1.190 225 Y HN 0.342 nan 8.280 nan 0.000 0.587 226 Q N 0.707 120.386 119.800 -0.203 0.000 2.247 226 Q HA 0.318 4.673 4.340 0.025 0.000 0.288 226 Q C 1.136 177.097 176.000 -0.065 0.000 1.079 226 Q CA 1.571 57.195 55.803 -0.298 0.000 0.932 226 Q CB 0.228 28.651 28.738 -0.525 0.000 1.133 226 Q HN 0.837 nan 8.270 nan 0.000 0.377 227 G N 3.266 112.021 108.800 -0.076 0.000 2.238 227 G HA2 -0.265 3.710 3.960 0.025 0.000 0.217 227 G HA3 -0.265 3.710 3.960 0.025 0.000 0.217 227 G C 0.214 174.963 174.900 -0.251 0.000 0.996 227 G CA 0.033 45.007 45.100 -0.210 0.000 0.632 227 G HN 0.658 nan 8.290 nan 0.000 0.503 228 F N 1.542 121.484 119.950 -0.012 0.000 2.789 228 F HA 0.545 5.086 4.527 0.024 0.000 0.300 228 F C 2.491 178.309 175.800 0.030 0.000 1.132 228 F CA 1.348 59.351 58.000 0.006 0.000 1.404 228 F CB 0.253 39.284 39.000 0.053 0.000 1.114 228 F HN 0.386 nan 8.300 nan 0.000 0.584 229 A N 0.085 123.040 122.820 0.225 0.000 1.919 229 A HA 0.198 4.533 4.320 0.025 0.000 0.211 229 A C 2.021 179.676 177.584 0.119 0.000 1.310 229 A CA 0.643 52.819 52.037 0.231 0.000 0.651 229 A CB 0.018 19.277 19.000 0.433 0.000 0.996 229 A HN 0.238 nan 8.150 nan 0.000 0.479 230 R N -2.519 118.004 120.500 0.037 0.000 2.551 230 R HA 0.410 4.765 4.340 0.025 0.000 0.202 230 R C 0.568 176.825 176.300 -0.071 0.000 0.861 230 R CA 0.664 56.755 56.100 -0.015 0.000 1.018 230 R CB 1.318 31.604 30.300 -0.023 0.000 1.435 230 R HN 0.628 nan 8.270 nan 0.000 0.659 234 E N 1.257 121.430 120.200 -0.045 0.000 2.152 234 E HA -0.135 4.230 4.350 0.025 0.000 0.192 234 E C 1.514 178.078 176.600 -0.059 0.000 0.983 234 E CA 1.288 57.667 56.400 -0.035 0.000 0.818 234 E CB 0.211 29.892 29.700 -0.031 0.000 0.758 234 E HN 0.482 nan 8.360 nan 0.000 0.467 235 E N 1.030 121.176 120.200 -0.090 0.000 2.072 235 E HA -0.124 4.241 4.350 0.025 0.000 0.190 235 E C 1.560 178.011 176.600 -0.248 0.000 0.982 235 E CA 1.015 57.332 56.400 -0.138 0.000 0.803 235 E CB -0.088 29.534 29.700 -0.129 0.000 0.755 235 E HN 0.115 nan 8.360 nan 0.000 0.453 236 D N 0.052 120.317 120.400 -0.224 0.000 2.309 236 D HA -0.075 4.580 4.640 0.025 0.000 0.212 236 D C 1.176 177.460 176.300 -0.027 0.000 0.968 236 D CA 1.079 54.911 54.000 -0.280 0.000 0.882 236 D CB -0.079 40.662 40.800 -0.099 0.000 0.918 236 D HN 0.209 nan 8.370 nan 0.000 0.503 237 A N 0.100 122.950 122.820 0.050 0.000 2.307 237 A HA 0.043 4.378 4.320 0.025 0.000 0.218 237 A C 1.765 179.267 177.584 -0.136 0.000 1.228 237 A CA -0.010 52.084 52.037 0.096 0.000 0.857 237 A CB -0.128 18.924 19.000 0.087 0.000 0.897 237 A HN 0.074 nan 8.150 nan 0.000 0.495 238 E N 0.066 120.172 120.200 -0.158 0.000 2.058 238 E HA -0.184 4.182 4.350 0.025 0.000 0.194 238 E C 2.139 178.626 176.600 -0.188 0.000 0.997 238 E CA 1.188 57.507 56.400 -0.136 0.000 0.801 238 E CB -0.265 29.383 29.700 -0.086 0.000 0.746 238 E HN 0.607 nan 8.360 nan 0.000 0.450 239 G N 1.420 109.982 108.800 -0.397 0.000 2.421 239 G HA2 -0.263 3.712 3.960 0.025 0.000 0.216 239 G HA3 -0.263 3.712 3.960 0.025 0.000 0.216 239 G C 1.563 176.126 174.900 -0.561 0.000 1.171 239 G CA 0.761 45.347 45.100 -0.856 0.000 0.775 239 G HN 0.174 nan 8.290 nan 0.000 0.543 240 L N 0.609 121.394 121.223 -0.730 0.000 2.046 240 L HA 0.041 4.396 4.340 0.025 0.000 0.208 240 L C 2.778 179.409 176.870 -0.399 0.000 1.077 240 L CA 1.747 56.009 54.840 -0.963 0.000 0.747 240 L CB -0.528 40.767 42.059 -1.272 0.000 0.896 240 L HN 0.146 nan 8.230 nan 0.000 0.432 241 R N -0.554 119.810 120.500 -0.228 0.000 2.115 241 R HA -0.005 4.350 4.340 0.025 0.000 0.230 241 R C 2.269 178.573 176.300 0.007 0.000 1.111 241 R CA 1.005 57.076 56.100 -0.049 0.000 0.976 241 R CB -0.552 29.731 30.300 -0.027 0.000 0.870 241 R HN 0.535 nan 8.270 nan 0.000 0.445 242 A N 0.482 123.315 122.820 0.020 0.000 1.933 242 A HA -0.149 4.186 4.320 0.025 0.000 0.218 242 A C 1.816 179.457 177.584 0.096 0.000 1.175 242 A CA 1.138 53.216 52.037 0.070 0.000 0.628 242 A CB -0.485 18.591 19.000 0.127 0.000 0.814 242 A HN 0.206 nan 8.150 nan 0.000 0.444 243 F N 0.003 119.955 119.950 0.004 0.000 2.163 243 F HA -0.008 4.534 4.527 0.026 0.000 0.297 243 F C 2.745 178.616 175.800 0.119 0.000 1.094 243 F CA 1.097 59.158 58.000 0.102 0.000 1.290 243 F CB -0.316 38.710 39.000 0.042 0.000 1.017 243 F HN 0.247 nan 8.300 nan 0.000 0.483 244 A N -0.263 122.664 122.820 0.179 0.000 2.019 244 A HA -0.057 4.278 4.320 0.025 0.000 0.219 244 A C 2.303 179.901 177.584 0.023 0.000 1.164 244 A CA 1.491 53.563 52.037 0.058 0.000 0.644 244 A CB -1.182 17.778 19.000 -0.067 0.000 0.805 244 A HN 0.310 nan 8.150 nan 0.000 0.449 245 A N 0.078 122.918 122.820 0.033 0.000 2.015 245 A HA 0.005 4.340 4.320 0.025 0.000 0.219 245 A C 2.105 179.689 177.584 -0.000 0.000 1.163 245 A CA 1.639 53.676 52.037 0.000 0.000 0.646 245 A CB -0.502 18.498 19.000 -0.001 0.000 0.806 245 A HN 0.797 nan 8.150 nan 0.000 0.448 246 M N -3.010 116.609 119.600 0.033 0.000 2.292 246 M HA 0.347 4.842 4.480 0.025 0.000 0.286 246 M C -0.112 176.124 176.300 -0.106 0.000 1.002 246 M CA -0.115 55.158 55.300 -0.045 0.000 1.029 246 M CB 0.188 32.720 32.600 -0.114 0.000 1.537 246 M HN 0.148 nan 8.290 nan 0.000 0.543 247 H N 1.696 120.785 119.070 0.031 0.000 2.463 247 H HA 0.381 4.952 4.556 0.025 0.000 0.332 247 H C 0.036 175.391 175.328 0.045 0.000 1.127 247 H CA -0.364 55.728 56.048 0.074 0.000 1.238 247 H CB 2.139 32.013 29.762 0.186 0.000 1.478 247 H HN 0.196 nan 8.280 nan 0.000 0.499 248 K N 1.397 121.868 120.400 0.118 0.000 2.243 248 K HA 0.021 4.356 4.320 0.025 0.000 0.201 248 K C -0.098 176.571 176.600 0.116 0.000 1.051 248 K CA 0.882 57.217 56.287 0.079 0.000 0.970 248 K CB 0.484 33.012 32.500 0.046 0.000 0.755 248 K HN 0.636 nan 8.250 nan 0.000 0.465 249 E N 0.503 120.820 120.200 0.194 0.000 2.317 249 E HA 0.481 4.846 4.350 0.025 0.000 0.270 249 E C -1.230 175.517 176.600 0.244 0.000 0.885 249 E CA -0.805 55.712 56.400 0.195 0.000 0.760 249 E CB 2.085 31.902 29.700 0.194 0.000 1.227 249 E HN -0.049 nan 8.360 nan 0.000 0.434 250 L N -1.457 119.890 121.223 0.206 0.000 2.869 250 L HA 0.637 4.992 4.340 0.025 0.000 0.265 250 L C -1.704 175.295 176.870 0.215 0.000 1.011 250 L CA -0.777 54.198 54.840 0.225 0.000 0.913 250 L CB 1.053 43.249 42.059 0.228 0.000 1.490 250 L HN 0.550 nan 8.230 nan 0.000 0.410 251 I N 1.068 121.783 120.570 0.240 0.000 2.582 251 I HA 0.738 4.923 4.170 0.025 0.000 0.292 251 I C -1.080 175.180 176.117 0.238 0.000 1.066 251 I CA -1.075 60.356 61.300 0.218 0.000 1.053 251 I CB 2.345 40.477 38.000 0.220 0.000 1.241 251 I HN 0.422 nan 8.210 nan 0.000 0.421 252 V N 4.659 124.686 119.914 0.187 0.000 2.444 252 V HA 0.660 4.795 4.120 0.025 0.000 0.294 252 V C -0.023 176.151 176.094 0.134 0.000 1.022 252 V CA -0.609 61.782 62.300 0.151 0.000 0.850 252 V CB 1.673 33.500 31.823 0.005 0.000 0.992 252 V HN 0.807 nan 8.190 nan 0.000 0.426 253 A N 3.889 126.803 122.820 0.157 0.000 2.273 253 A HA 0.797 5.132 4.320 0.025 0.000 0.320 253 A C 0.243 177.887 177.584 0.099 0.000 1.358 253 A CA -0.344 51.770 52.037 0.129 0.000 0.910 253 A CB 0.615 19.705 19.000 0.150 0.000 1.159 253 A HN 0.980 nan 8.150 nan 0.000 0.526 254 S N 1.448 117.172 115.700 0.040 0.000 2.621 254 S HA 0.841 5.327 4.470 0.025 0.000 0.302 254 S C -0.105 174.400 174.600 -0.159 0.000 1.093 254 S CA -0.575 57.600 58.200 -0.042 0.000 1.017 254 S CB 1.769 64.918 63.200 -0.084 0.000 1.077 254 S HN 0.995 nan 8.310 nan 0.000 0.517 255 S N -0.124 115.410 115.700 -0.276 0.000 2.526 255 S HA 0.613 5.098 4.470 0.025 0.000 0.293 255 S C -1.372 173.026 174.600 -0.336 0.000 1.092 255 S CA -0.589 57.458 58.200 -0.254 0.000 0.980 255 S CB 0.771 63.831 63.200 -0.234 0.000 1.048 255 S HN 0.698 nan 8.310 nan 0.000 0.483 256 Y N 2.001 122.281 120.300 -0.033 0.000 2.531 256 Y HA 0.304 4.871 4.550 0.029 0.000 0.249 256 Y C 2.178 178.067 175.900 -0.018 0.000 1.168 256 Y CA -0.166 57.944 58.100 0.016 0.000 1.226 256 Y CB 0.238 38.638 38.460 -0.100 0.000 1.177 256 Y HN 0.587 nan 8.280 nan 0.000 0.527 257 S N 0.292 115.998 115.700 0.010 0.000 2.359 257 S HA -0.198 4.287 4.470 0.025 0.000 0.224 257 S C 1.836 176.196 174.600 -0.401 0.000 1.035 257 S CA 1.798 59.911 58.200 -0.144 0.000 1.018 257 S CB 0.003 63.170 63.200 -0.055 0.000 0.876 257 S HN 0.403 nan 8.310 nan 0.000 0.448 258 K N 1.565 121.856 120.400 -0.183 0.000 2.128 258 K HA 0.079 4.414 4.320 0.025 0.000 0.202 258 K C 1.687 178.457 176.600 0.283 0.000 1.050 258 K CA 1.033 57.289 56.287 -0.051 0.000 0.966 258 K CB -0.174 32.246 32.500 -0.132 0.000 0.759 258 K HN 0.368 nan 8.250 nan 0.000 0.454 259 N N -0.015 118.912 118.700 0.377 0.000 2.512 259 N HA -0.099 4.656 4.740 0.025 0.000 0.183 259 N C 0.668 176.318 175.510 0.234 0.000 1.073 259 N CA 1.045 54.288 53.050 0.321 0.000 0.911 259 N CB -0.163 38.491 38.487 0.279 0.000 0.964 259 N HN 0.107 nan 8.380 nan 0.000 0.447 260 F N -0.591 119.455 119.950 0.159 0.000 2.706 260 F HA 0.431 4.970 4.527 0.020 0.000 0.313 260 F C 1.515 177.295 175.800 -0.032 0.000 1.096 260 F CA -0.112 57.940 58.000 0.086 0.000 1.219 260 F CB 0.395 39.336 39.000 -0.098 0.000 1.051 260 F HN 0.142 nan 8.300 nan 0.000 0.568 261 G N 1.498 110.275 108.800 -0.039 0.000 2.305 261 G HA2 -0.311 3.664 3.960 0.025 0.000 0.287 261 G HA3 -0.311 3.664 3.960 0.025 0.000 0.287 261 G C 0.558 175.331 174.900 -0.213 0.000 1.036 261 G CA 0.382 45.334 45.100 -0.246 0.000 0.887 261 G HN 0.432 nan 8.290 nan 0.000 0.505 262 L N -0.509 120.570 121.223 -0.240 0.000 2.928 262 L HA 0.263 4.618 4.340 0.025 0.000 0.246 262 L C 2.158 179.007 176.870 -0.035 0.000 1.239 262 L CA -0.768 54.032 54.840 -0.065 0.000 1.035 262 L CB -0.309 41.733 42.059 -0.028 0.000 1.360 262 L HN 0.332 nan 8.230 nan 0.000 0.529 263 Y N 0.889 121.245 120.300 0.094 0.000 2.003 263 Y HA -0.419 4.145 4.550 0.023 0.000 0.261 263 Y C 2.473 178.400 175.900 0.045 0.000 1.211 263 Y CA 2.109 60.247 58.100 0.065 0.000 1.098 263 Y CB -0.859 37.641 38.460 0.067 0.000 0.925 263 Y HN 0.550 nan 8.280 nan 0.000 0.498 264 N N -0.255 118.583 118.700 0.231 0.000 2.461 264 N HA -0.095 4.660 4.740 0.025 0.000 0.188 264 N C 0.788 176.343 175.510 0.075 0.000 1.134 264 N CA 0.939 54.066 53.050 0.128 0.000 0.878 264 N CB -0.337 38.214 38.487 0.107 0.000 0.972 264 N HN 0.406 nan 8.380 nan 0.000 0.456 265 E N 0.630 120.871 120.200 0.068 0.000 2.447 265 E HA 0.052 4.418 4.350 0.025 0.000 0.195 265 E C -0.248 176.348 176.600 -0.007 0.000 1.028 265 E CA -0.006 56.418 56.400 0.040 0.000 0.876 265 E CB 0.088 29.826 29.700 0.062 0.000 0.885 265 E HN 0.181 nan 8.360 nan 0.000 0.500 266 R N -0.199 120.300 120.500 -0.002 0.000 2.717 266 R HA -0.110 4.245 4.340 0.025 0.000 0.298 266 R C -0.875 175.389 176.300 -0.061 0.000 0.971 266 R CA 0.194 56.276 56.100 -0.029 0.000 0.773 266 R CB -2.959 27.306 30.300 -0.058 0.000 2.073 266 R HN -0.086 nan 8.270 nan 0.000 0.494 267 V N 0.865 120.767 119.914 -0.021 0.000 2.376 267 V HA 0.879 5.014 4.120 0.025 0.000 0.287 267 V C 1.025 177.220 176.094 0.168 0.000 1.015 267 V CA -0.011 62.293 62.300 0.006 0.000 0.834 267 V CB 2.116 33.925 31.823 -0.024 0.000 1.001 267 V HN 0.769 nan 8.190 nan 0.000 0.428 268 G N 2.779 111.688 108.800 0.180 0.000 2.721 268 G HA2 0.924 4.900 3.960 0.025 0.000 0.296 268 G HA3 0.924 4.900 3.960 0.025 0.000 0.296 268 G C -1.449 173.633 174.900 0.304 0.000 1.383 268 G CA -0.221 44.996 45.100 0.195 0.000 0.788 268 G HN 1.145 nan 8.290 nan 0.000 0.500 269 A N -1.534 121.409 122.820 0.206 0.000 2.520 269 A HA 0.617 4.952 4.320 0.025 0.000 0.298 269 A C -1.155 176.520 177.584 0.153 0.000 1.051 269 A CA -0.375 51.808 52.037 0.244 0.000 0.690 269 A CB 1.437 20.584 19.000 0.244 0.000 1.281 269 A HN 1.743 nan 8.150 nan 0.000 0.402 270 C N 2.198 121.605 119.300 0.178 0.000 2.293 270 C HA 0.761 5.236 4.460 0.025 0.000 0.323 270 C C 0.049 175.137 174.990 0.163 0.000 1.240 270 C CA 0.028 59.141 59.018 0.158 0.000 1.497 270 C CB -0.663 27.173 27.740 0.160 0.000 2.171 270 C HN 0.785 nan 8.230 nan 0.000 0.465 271 T N 6.736 121.367 114.554 0.128 0.000 2.758 271 T HA 0.436 4.801 4.350 0.025 0.000 0.285 271 T C -0.544 174.233 174.700 0.128 0.000 0.981 271 T CA -0.191 61.980 62.100 0.118 0.000 0.965 271 T CB 1.013 69.949 68.868 0.113 0.000 0.927 271 T HN 0.594 nan 8.240 nan 0.000 0.448 272 L N 5.670 126.947 121.223 0.090 0.000 2.282 272 L HA 0.663 5.018 4.340 0.025 0.000 0.288 272 L C -0.901 176.002 176.870 0.055 0.000 1.033 272 L CA -0.378 54.506 54.840 0.073 0.000 0.807 272 L CB 1.084 43.173 42.059 0.050 0.000 1.209 272 L HN 0.409 nan 8.230 nan 0.000 0.423 273 V N 5.215 125.176 119.914 0.079 0.000 2.495 273 V HA 0.918 5.053 4.120 0.025 0.000 0.298 273 V C 0.124 176.255 176.094 0.062 0.000 1.031 273 V CA -0.168 62.150 62.300 0.029 0.000 0.871 273 V CB 1.116 32.930 31.823 -0.015 0.000 0.988 273 V HN 1.000 nan 8.190 nan 0.000 0.432 274 A N 3.339 126.183 122.820 0.039 0.000 2.437 274 A HA 0.915 5.250 4.320 0.025 0.000 0.288 274 A C 1.124 178.728 177.584 0.034 0.000 1.201 274 A CA 0.070 52.146 52.037 0.064 0.000 0.795 274 A CB 1.284 20.331 19.000 0.079 0.000 1.359 274 A HN 1.136 nan 8.150 nan 0.000 0.435 275 A N -0.571 122.273 122.820 0.041 0.000 1.972 275 A HA 0.237 4.573 4.320 0.025 0.000 0.219 275 A C 0.545 178.132 177.584 0.005 0.000 1.169 275 A CA 2.300 54.350 52.037 0.021 0.000 0.635 275 A CB -0.759 18.256 19.000 0.026 0.000 0.810 275 A HN 1.033 nan 8.150 nan 0.000 0.446 276 D N -4.596 115.810 120.400 0.010 0.000 2.643 276 D HA 0.364 5.019 4.640 0.025 0.000 0.283 276 D C 0.606 176.907 176.300 0.003 0.000 1.242 276 D CA 0.086 54.086 54.000 0.001 0.000 0.863 276 D CB 0.475 41.277 40.800 0.004 0.000 1.382 276 D HN -0.106 nan 8.370 nan 0.000 0.444 277 S N -0.461 115.236 115.700 -0.004 0.000 2.365 277 S HA -0.244 4.241 4.470 0.025 0.000 0.225 277 S C 1.441 176.048 174.600 0.012 0.000 1.039 277 S CA 1.913 60.110 58.200 -0.005 0.000 1.033 277 S CB -0.581 62.614 63.200 -0.008 0.000 0.887 277 S HN 0.548 nan 8.310 nan 0.000 0.447 278 E N 0.643 120.854 120.200 0.019 0.000 2.152 278 E HA -0.050 4.315 4.350 0.025 0.000 0.192 278 E C 2.110 178.739 176.600 0.047 0.000 0.983 278 E CA 1.462 57.881 56.400 0.031 0.000 0.818 278 E CB -1.579 28.137 29.700 0.027 0.000 0.758 278 E HN 0.574 nan 8.360 nan 0.000 0.467 279 T N 1.704 116.287 114.554 0.048 0.000 2.770 279 T HA -0.057 4.308 4.350 0.025 0.000 0.263 279 T C 2.043 176.796 174.700 0.088 0.000 1.039 279 T CA 1.217 63.358 62.100 0.068 0.000 1.142 279 T CB -0.370 68.537 68.868 0.064 0.000 0.868 279 T HN 0.058 nan 8.240 nan 0.000 0.435 280 V N 2.021 121.975 119.914 0.067 0.000 2.407 280 V HA -0.182 3.953 4.120 0.025 0.000 0.248 280 V C 1.949 178.104 176.094 0.102 0.000 1.055 280 V CA 1.989 64.332 62.300 0.071 0.000 1.049 280 V CB -0.532 31.298 31.823 0.011 0.000 0.662 280 V HN 0.377 nan 8.190 nan 0.000 0.455 281 D N -0.542 119.908 120.400 0.083 0.000 2.117 281 D HA -0.125 4.530 4.640 0.025 0.000 0.198 281 D C 2.375 178.769 176.300 0.157 0.000 0.982 281 D CA 1.143 55.214 54.000 0.119 0.000 0.828 281 D CB -0.270 40.575 40.800 0.076 0.000 0.967 281 D HN 0.375 nan 8.370 nan 0.000 0.464 282 R N 0.307 120.882 120.500 0.125 0.000 2.073 282 R HA -0.033 4.322 4.340 0.025 0.000 0.234 282 R C 2.175 178.574 176.300 0.164 0.000 1.134 282 R CA 1.252 57.426 56.100 0.123 0.000 0.952 282 R CB -0.180 30.180 30.300 0.100 0.000 0.850 282 R HN 0.110 nan 8.270 nan 0.000 0.433 283 A N 0.193 123.133 122.820 0.200 0.000 1.902 283 A HA -0.191 4.144 4.320 0.025 0.000 0.217 283 A C 1.910 179.638 177.584 0.240 0.000 1.181 283 A CA 1.075 53.285 52.037 0.289 0.000 0.623 283 A CB -0.624 18.561 19.000 0.308 0.000 0.818 283 A HN 0.383 nan 8.150 nan 0.000 0.443 284 F N 1.818 121.777 119.950 0.015 0.000 2.234 284 F HA -0.156 4.385 4.527 0.024 0.000 0.299 284 F C 2.755 178.554 175.800 -0.002 0.000 1.087 284 F CA 1.512 59.484 58.000 -0.047 0.000 1.340 284 F CB -0.247 38.735 39.000 -0.031 0.000 1.031 284 F HN 0.344 nan 8.300 nan 0.000 0.500 285 S N -0.644 115.102 115.700 0.075 0.000 2.382 285 S HA -0.220 4.265 4.470 0.025 0.000 0.228 285 S C 1.880 176.456 174.600 -0.040 0.000 1.027 285 S CA 1.059 59.255 58.200 -0.007 0.000 0.991 285 S CB -0.563 62.668 63.200 0.052 0.000 0.823 285 S HN 0.454 nan 8.310 nan 0.000 0.469 286 Q N 0.479 120.312 119.800 0.054 0.000 2.172 286 Q HA 0.114 4.470 4.340 0.025 0.000 0.200 286 Q C 2.135 178.193 176.000 0.096 0.000 0.964 286 Q CA 1.178 57.051 55.803 0.117 0.000 0.855 286 Q CB -0.432 28.457 28.738 0.252 0.000 0.918 286 Q HN 0.735 nan 8.270 nan 0.000 0.444 287 M N 0.622 120.190 119.600 -0.053 0.000 2.132 287 M HA -0.178 4.317 4.480 0.025 0.000 0.263 287 M C 1.756 177.880 176.300 -0.293 0.000 1.065 287 M CA 1.521 56.687 55.300 -0.223 0.000 1.122 287 M CB 0.100 32.371 32.600 -0.549 0.000 1.365 287 M HN -0.039 nan 8.290 nan 0.000 0.411 288 K N 0.132 120.265 120.400 -0.445 0.000 2.097 288 K HA -0.106 4.229 4.320 0.025 0.000 0.206 288 K C 1.931 178.407 176.600 -0.208 0.000 1.049 288 K CA 1.433 57.499 56.287 -0.368 0.000 0.933 288 K CB -0.285 31.993 32.500 -0.370 0.000 0.717 288 K HN 0.459 nan 8.250 nan 0.000 0.442 289 A N 1.207 123.946 122.820 -0.136 0.000 1.930 289 A HA -0.084 4.251 4.320 0.025 0.000 0.217 289 A C 2.304 179.838 177.584 -0.084 0.000 1.175 289 A CA 1.719 53.703 52.037 -0.087 0.000 0.627 289 A CB -0.571 18.406 19.000 -0.039 0.000 0.815 289 A HN 0.330 nan 8.150 nan 0.000 0.443 290 A N -0.167 122.617 122.820 -0.060 0.000 1.969 290 A HA -0.004 4.332 4.320 0.025 0.000 0.218 290 A C 2.067 179.576 177.584 -0.124 0.000 1.169 290 A CA 1.364 53.377 52.037 -0.040 0.000 0.635 290 A CB -0.514 18.515 19.000 0.049 0.000 0.810 290 A HN 0.493 nan 8.150 nan 0.000 0.445 291 I N -1.034 119.413 120.570 -0.205 0.000 2.202 291 I HA -0.202 3.983 4.170 0.025 0.000 0.242 291 I C 2.601 178.445 176.117 -0.455 0.000 1.091 291 I CA 1.541 62.597 61.300 -0.406 0.000 1.368 291 I CB -0.209 37.563 38.000 -0.381 0.000 1.058 291 I HN 0.270 nan 8.210 nan 0.000 0.410 292 R N 1.913 122.242 120.500 -0.285 0.000 2.127 292 R HA -0.108 4.247 4.340 0.025 0.000 0.238 292 R C 1.878 178.071 176.300 -0.177 0.000 1.134 292 R CA 1.823 57.789 56.100 -0.223 0.000 0.975 292 R CB -0.543 29.662 30.300 -0.158 0.000 0.865 292 R HN 0.355 nan 8.270 nan 0.000 0.447 293 A N -0.400 122.332 122.820 -0.146 0.000 2.251 293 A HA 0.081 4.416 4.320 0.025 0.000 0.209 293 A C 1.513 179.047 177.584 -0.084 0.000 1.187 293 A CA 0.629 52.611 52.037 -0.092 0.000 0.823 293 A CB -0.414 18.550 19.000 -0.060 0.000 0.846 293 A HN 0.441 nan 8.150 nan 0.000 0.486 294 N N -0.605 118.008 118.700 -0.145 0.000 2.831 294 N HA 0.034 4.789 4.740 0.025 0.000 0.233 294 N C 0.965 176.455 175.510 -0.034 0.000 1.031 294 N CA 1.512 54.513 53.050 -0.082 0.000 1.198 294 N CB -0.063 38.378 38.487 -0.077 0.000 1.595 294 N HN 0.421 nan 8.380 nan 0.000 0.588 295 Y N -1.397 118.900 120.300 -0.004 0.000 2.557 295 Y HA 0.593 5.159 4.550 0.026 0.000 0.247 295 Y C 1.251 177.147 175.900 -0.007 0.000 1.164 295 Y CA 0.279 58.379 58.100 -0.000 0.000 1.218 295 Y CB 0.000 38.464 38.460 0.006 0.000 1.210 295 Y HN 0.140 nan 8.280 nan 0.000 0.529 296 S N 0.831 116.378 115.700 -0.256 0.000 1.480 296 S HA -0.265 4.220 4.470 0.025 0.000 0.244 296 S C -0.034 174.473 174.600 -0.154 0.000 0.702 296 S CA 1.651 59.743 58.200 -0.180 0.000 1.288 296 S CB -1.816 61.329 63.200 -0.092 0.000 1.411 296 S HN 0.929 nan 8.310 nan 0.000 0.505 297 N N 1.182 119.917 118.700 0.059 0.000 2.591 297 N HA 0.531 5.286 4.740 0.025 0.000 0.263 297 N C -3.564 172.162 175.510 0.360 0.000 1.308 297 N CA -1.413 51.726 53.050 0.148 0.000 0.837 297 N CB 1.884 40.420 38.487 0.081 0.000 1.548 297 N HN 0.351 nan 8.380 nan 0.000 0.493 298 P HA 0.318 nan 4.420 nan 0.000 0.276 298 P C -2.662 174.645 177.300 0.012 0.000 1.244 298 P CA -1.112 62.057 63.100 0.115 0.000 0.801 298 P CB -0.068 31.658 31.700 0.043 0.000 1.006 299 P HA 0.112 nan 4.420 nan 0.000 0.276 299 P C 0.436 177.688 177.300 -0.080 0.000 1.243 299 P CA -0.056 63.013 63.100 -0.051 0.000 0.768 299 P CB 0.725 32.386 31.700 -0.065 0.000 0.856 300 A N 3.369 126.163 122.820 -0.043 0.000 1.898 300 A HA -0.221 4.114 4.320 0.025 0.000 0.216 300 A C 2.148 179.690 177.584 -0.069 0.000 1.181 300 A CA 1.707 53.706 52.037 -0.064 0.000 0.620 300 A CB -1.632 17.353 19.000 -0.026 0.000 0.819 300 A HN 0.686 nan 8.150 nan 0.000 0.442 301 H N -0.310 118.699 119.070 -0.102 0.000 2.252 301 H HA -0.125 4.432 4.556 0.002 0.000 0.292 301 H C 2.228 177.482 175.328 -0.123 0.000 1.082 301 H CA 2.570 58.563 56.048 -0.093 0.000 1.229 301 H CB -0.566 29.157 29.762 -0.064 0.000 1.353 301 H HN 0.350 nan 8.280 nan 0.000 0.488 302 G N -0.551 108.167 108.800 -0.136 0.000 2.418 302 G HA2 -0.229 3.746 3.960 0.025 0.000 0.217 302 G HA3 -0.229 3.746 3.960 0.025 0.000 0.217 302 G C 1.859 176.550 174.900 -0.349 0.000 1.158 302 G CA 0.878 45.841 45.100 -0.229 0.000 0.771 302 G HN 0.631 nan 8.290 nan 0.000 0.545 303 A N 0.289 122.867 122.820 -0.403 0.000 1.969 303 A HA 0.080 4.415 4.320 0.025 0.000 0.218 303 A C 2.589 179.956 177.584 -0.362 0.000 1.169 303 A CA 2.089 53.765 52.037 -0.602 0.000 0.635 303 A CB -0.596 17.805 19.000 -0.998 0.000 0.810 303 A HN 0.357 nan 8.150 nan 0.000 0.445 304 S N -0.692 114.829 115.700 -0.300 0.000 2.368 304 S HA -0.106 4.379 4.470 0.025 0.000 0.224 304 S C 1.915 176.374 174.600 -0.234 0.000 1.029 304 S CA 1.418 59.493 58.200 -0.208 0.000 0.988 304 S CB -0.382 62.718 63.200 -0.167 0.000 0.838 304 S HN 0.303 nan 8.310 nan 0.000 0.462 305 V N 1.304 121.018 119.914 -0.333 0.000 2.295 305 V HA -0.133 4.002 4.120 0.025 0.000 0.246 305 V C 2.387 178.270 176.094 -0.352 0.000 1.049 305 V CA 1.766 63.879 62.300 -0.312 0.000 1.024 305 V CB -0.660 30.963 31.823 -0.334 0.000 0.648 305 V HN 0.380 nan 8.190 nan 0.000 0.447 306 V N 0.158 119.763 119.914 -0.515 0.000 2.343 306 V HA -0.256 3.879 4.120 0.025 0.000 0.247 306 V C 2.665 178.461 176.094 -0.497 0.000 1.051 306 V CA 2.039 63.846 62.300 -0.821 0.000 1.036 306 V CB -1.032 30.098 31.823 -1.156 0.000 0.654 306 V HN 0.570 nan 8.190 nan 0.000 0.451 307 A N -0.489 122.181 122.820 -0.250 0.000 1.898 307 A HA -0.205 4.130 4.320 0.025 0.000 0.216 307 A C 2.396 179.880 177.584 -0.166 0.000 1.181 307 A CA 2.389 54.333 52.037 -0.154 0.000 0.620 307 A CB -0.916 18.065 19.000 -0.032 0.000 0.819 307 A HN 0.499 nan 8.150 nan 0.000 0.442 308 T N 0.418 114.869 114.554 -0.173 0.000 2.708 308 T HA -0.113 4.252 4.350 0.025 0.000 0.266 308 T C 1.811 176.396 174.700 -0.192 0.000 1.037 308 T CA 1.619 63.607 62.100 -0.188 0.000 1.146 308 T CB -0.406 68.353 68.868 -0.181 0.000 0.865 308 T HN 0.423 nan 8.240 nan 0.000 0.435 309 I N 0.613 121.078 120.570 -0.175 0.000 2.202 309 I HA -0.107 4.078 4.170 0.025 0.000 0.242 309 I C 2.216 178.275 176.117 -0.096 0.000 1.091 309 I CA 1.211 62.445 61.300 -0.110 0.000 1.368 309 I CB -0.341 37.627 38.000 -0.053 0.000 1.058 309 I HN 0.183 nan 8.210 nan 0.000 0.410 310 L N -0.325 120.803 121.223 -0.159 0.000 2.275 310 L HA -0.126 4.229 4.340 0.025 0.000 0.215 310 L C 2.297 179.120 176.870 -0.078 0.000 1.119 310 L CA 0.869 55.638 54.840 -0.118 0.000 0.790 310 L CB -0.348 41.596 42.059 -0.192 0.000 0.919 310 L HN 0.151 nan 8.230 nan 0.000 0.443 311 S N -1.063 114.578 115.700 -0.100 0.000 2.528 311 S HA 0.024 4.509 4.470 0.025 0.000 0.219 311 S C 0.767 175.321 174.600 -0.077 0.000 0.985 311 S CA 0.029 58.180 58.200 -0.081 0.000 0.914 311 S CB -0.155 62.991 63.200 -0.089 0.000 0.776 311 S HN 0.333 nan 8.310 nan 0.000 0.526 312 N N 1.366 120.014 118.700 -0.086 0.000 2.417 312 N HA 0.134 4.889 4.740 0.025 0.000 0.274 312 N C -0.521 174.965 175.510 -0.040 0.000 0.987 312 N CA -0.144 52.856 53.050 -0.084 0.000 0.912 312 N CB 1.417 39.819 38.487 -0.141 0.000 1.177 312 N HN -0.150 nan 8.380 nan 0.000 0.490 313 D N 3.030 123.413 120.400 -0.028 0.000 2.116 313 D HA -0.144 4.511 4.640 0.025 0.000 0.193 313 D C 1.607 177.904 176.300 -0.004 0.000 0.998 313 D CA 1.487 55.481 54.000 -0.010 0.000 0.836 313 D CB 0.014 40.807 40.800 -0.012 0.000 0.951 313 D HN 0.707 nan 8.370 nan 0.000 0.449 314 A N 0.388 123.199 122.820 -0.014 0.000 1.873 314 A HA -0.078 4.257 4.320 0.025 0.000 0.215 314 A C 2.406 179.992 177.584 0.002 0.000 1.186 314 A CA 0.810 52.841 52.037 -0.009 0.000 0.616 314 A CB -0.735 18.256 19.000 -0.015 0.000 0.823 314 A HN 0.206 nan 8.150 nan 0.000 0.442 315 L N -1.159 120.061 121.223 -0.006 0.000 2.093 315 L HA -0.140 4.215 4.340 0.025 0.000 0.208 315 L C 2.829 179.750 176.870 0.085 0.000 1.085 315 L CA 1.369 56.220 54.840 0.018 0.000 0.755 315 L CB -0.473 41.569 42.059 -0.028 0.000 0.904 315 L HN 0.432 nan 8.230 nan 0.000 0.435 316 R N 0.302 120.854 120.500 0.085 0.000 2.092 316 R HA -0.147 4.208 4.340 0.025 0.000 0.231 316 R C 2.306 178.698 176.300 0.152 0.000 1.119 316 R CA 1.359 57.571 56.100 0.187 0.000 0.970 316 R CB -0.147 30.237 30.300 0.141 0.000 0.864 316 R HN 0.333 nan 8.270 nan 0.000 0.440 317 A N 1.040 123.893 122.820 0.054 0.000 1.902 317 A HA -0.140 4.195 4.320 0.025 0.000 0.217 317 A C 2.135 179.700 177.584 -0.032 0.000 1.181 317 A CA 1.264 53.297 52.037 -0.005 0.000 0.623 317 A CB -0.419 18.572 19.000 -0.014 0.000 0.818 317 A HN 0.306 nan 8.150 nan 0.000 0.443 318 I N -2.402 118.171 120.570 0.004 0.000 2.202 318 I HA -0.244 3.941 4.170 0.025 0.000 0.242 318 I C 2.409 178.508 176.117 -0.031 0.000 1.091 318 I CA 1.535 62.828 61.300 -0.012 0.000 1.368 318 I CB -0.381 37.629 38.000 0.016 0.000 1.058 318 I HN 0.728 nan 8.210 nan 0.000 0.410 319 W N 2.386 123.605 121.300 -0.135 0.000 2.335 319 W HA -0.215 4.460 4.660 0.025 0.000 0.311 319 W C 2.323 178.683 176.519 -0.266 0.000 1.213 319 W CA 1.594 58.807 57.345 -0.220 0.000 1.274 319 W CB -0.383 28.922 29.460 -0.258 0.000 1.148 319 W HN 0.066 nan 8.180 nan 0.000 0.498 320 E N -0.335 119.464 120.200 -0.669 0.000 2.160 320 E HA -0.324 4.041 4.350 0.025 0.000 0.195 320 E C 2.007 178.238 176.600 -0.615 0.000 0.991 320 E CA 1.635 57.501 56.400 -0.890 0.000 0.810 320 E CB -0.265 29.138 29.700 -0.494 0.000 0.742 320 E HN 0.264 nan 8.360 nan 0.000 0.466 321 Q N 1.091 120.658 119.800 -0.389 0.000 2.123 321 Q HA -0.137 4.218 4.340 0.025 0.000 0.199 321 Q C 1.544 177.360 176.000 -0.307 0.000 0.966 321 Q CA 1.440 57.073 55.803 -0.283 0.000 0.845 321 Q CB 0.097 28.731 28.738 -0.174 0.000 0.907 321 Q HN 0.266 nan 8.270 nan 0.000 0.439 322 E N -0.382 119.620 120.200 -0.331 0.000 2.110 322 E HA -0.174 4.191 4.350 0.025 0.000 0.193 322 E C 1.804 178.147 176.600 -0.427 0.000 0.988 322 E CA 1.047 57.269 56.400 -0.297 0.000 0.804 322 E CB -0.159 29.416 29.700 -0.209 0.000 0.745 322 E HN 0.275 nan 8.360 nan 0.000 0.458 323 L N 0.913 121.744 121.223 -0.653 0.000 2.093 323 L HA -0.108 4.247 4.340 0.025 0.000 0.208 323 L C 2.184 178.698 176.870 -0.594 0.000 1.085 323 L CA 1.824 56.215 54.840 -0.749 0.000 0.755 323 L CB -0.618 40.812 42.059 -1.048 0.000 0.904 323 L HN -0.021 nan 8.230 nan 0.000 0.435 324 T N -0.294 113.968 114.554 -0.486 0.000 2.788 324 T HA -0.152 4.213 4.350 0.025 0.000 0.268 324 T C 1.410 175.962 174.700 -0.247 0.000 1.044 324 T CA 1.562 63.461 62.100 -0.335 0.000 1.139 324 T CB -0.318 68.387 68.868 -0.272 0.000 0.867 324 T HN 0.408 nan 8.240 nan 0.000 0.454 325 D N 0.888 121.147 120.400 -0.235 0.000 2.144 325 D HA 0.019 4.674 4.640 0.025 0.000 0.200 325 D C 2.087 178.311 176.300 -0.128 0.000 0.978 325 D CA 0.865 54.780 54.000 -0.143 0.000 0.833 325 D CB -0.255 40.480 40.800 -0.108 0.000 0.961 325 D HN 0.399 nan 8.370 nan 0.000 0.470 326 M N 0.052 119.480 119.600 -0.287 0.000 2.099 326 M HA -0.111 4.384 4.480 0.025 0.000 0.262 326 M C 2.375 178.631 176.300 -0.073 0.000 1.067 326 M CA 1.072 56.145 55.300 -0.378 0.000 1.124 326 M CB -0.212 31.930 32.600 -0.764 0.000 1.353 326 M HN -0.085 nan 8.290 nan 0.000 0.410 327 R N 0.716 121.115 120.500 -0.168 0.000 2.083 327 R HA -0.200 4.155 4.340 0.025 0.000 0.237 327 R C 2.071 178.380 176.300 0.015 0.000 1.137 327 R CA 1.955 58.028 56.100 -0.044 0.000 0.951 327 R CB -0.184 30.024 30.300 -0.152 0.000 0.851 327 R HN 0.467 nan 8.270 nan 0.000 0.434 328 Q N -0.391 119.394 119.800 -0.025 0.000 2.124 328 Q HA -0.172 4.183 4.340 0.025 0.000 0.202 328 Q C 2.259 178.284 176.000 0.042 0.000 0.977 328 Q CA 1.447 57.251 55.803 0.002 0.000 0.850 328 Q CB -0.156 28.569 28.738 -0.023 0.000 0.901 328 Q HN 0.322 nan 8.270 nan 0.000 0.429 329 R N 0.727 121.273 120.500 0.078 0.000 2.096 329 R HA -0.111 4.244 4.340 0.025 0.000 0.235 329 R C 2.065 178.429 176.300 0.107 0.000 1.127 329 R CA 1.001 57.167 56.100 0.110 0.000 0.968 329 R CB -0.098 30.316 30.300 0.189 0.000 0.861 329 R HN 0.250 nan 8.270 nan 0.000 0.440 330 I N 0.580 121.235 120.570 0.142 0.000 2.252 330 I HA -0.282 3.903 4.170 0.025 0.000 0.245 330 I C 2.381 178.534 176.117 0.061 0.000 1.102 330 I CA 1.334 62.694 61.300 0.101 0.000 1.385 330 I CB -0.216 37.863 38.000 0.132 0.000 1.064 330 I HN 0.276 nan 8.210 nan 0.000 0.414 331 Q N 0.210 120.048 119.800 0.064 0.000 2.084 331 Q HA -0.177 4.178 4.340 0.025 0.000 0.202 331 Q C 2.396 178.423 176.000 0.045 0.000 0.978 331 Q CA 1.264 57.099 55.803 0.053 0.000 0.844 331 Q CB -0.041 28.725 28.738 0.047 0.000 0.898 331 Q HN 0.370 nan 8.270 nan 0.000 0.426 332 R N -0.199 120.326 120.500 0.041 0.000 2.092 332 R HA -0.029 4.326 4.340 0.025 0.000 0.231 332 R C 2.052 178.373 176.300 0.036 0.000 1.119 332 R CA 0.930 57.050 56.100 0.034 0.000 0.970 332 R CB -0.245 30.073 30.300 0.029 0.000 0.864 332 R HN 0.353 nan 8.270 nan 0.000 0.440 333 M N 0.076 119.695 119.600 0.032 0.000 2.229 333 M HA -0.070 4.425 4.480 0.025 0.000 0.264 333 M C 2.115 178.447 176.300 0.054 0.000 1.063 333 M CA 1.247 56.560 55.300 0.022 0.000 1.114 333 M CB -0.736 31.853 32.600 -0.018 0.000 1.387 333 M HN 0.070 nan 8.290 nan 0.000 0.420 334 R N -0.110 120.424 120.500 0.056 0.000 2.070 334 R HA -0.194 4.161 4.340 0.025 0.000 0.233 334 R C 2.289 178.654 176.300 0.108 0.000 1.137 334 R CA 1.712 57.869 56.100 0.095 0.000 0.945 334 R CB -0.196 30.148 30.300 0.074 0.000 0.845 334 R HN 0.349 nan 8.270 nan 0.000 0.430 335 Q N 0.197 120.037 119.800 0.066 0.000 2.061 335 Q HA -0.184 4.172 4.340 0.025 0.000 0.204 335 Q C 2.004 178.029 176.000 0.041 0.000 0.984 335 Q CA 1.516 57.345 55.803 0.043 0.000 0.846 335 Q CB -0.202 28.555 28.738 0.032 0.000 0.902 335 Q HN 0.166 nan 8.270 nan 0.000 0.421 336 L N -0.318 120.937 121.223 0.054 0.000 2.042 336 L HA -0.163 4.192 4.340 0.025 0.000 0.210 336 L C 1.931 178.848 176.870 0.079 0.000 1.076 336 L CA 1.686 56.556 54.840 0.050 0.000 0.749 336 L CB -0.708 41.379 42.059 0.047 0.000 0.893 336 L HN 0.294 nan 8.230 nan 0.000 0.432 337 F N -0.073 119.835 119.950 -0.072 0.000 2.075 337 F HA -0.188 4.354 4.527 0.026 0.000 0.297 337 F C 2.414 178.132 175.800 -0.136 0.000 1.113 337 F CA 2.138 60.071 58.000 -0.113 0.000 1.218 337 F CB -0.878 38.049 39.000 -0.123 0.000 0.984 337 F HN 0.069 nan 8.300 nan 0.000 0.472 338 V N -1.097 118.711 119.914 -0.176 0.000 2.626 338 V HA -0.210 3.925 4.120 0.025 0.000 0.252 338 V C 1.808 177.792 176.094 -0.184 0.000 1.067 338 V CA 2.283 64.412 62.300 -0.285 0.000 1.081 338 V CB -1.266 30.466 31.823 -0.151 0.000 0.686 338 V HN 0.461 nan 8.190 nan 0.000 0.468 339 N N 0.763 119.402 118.700 -0.102 0.000 2.135 339 N HA -0.118 4.637 4.740 0.025 0.000 0.186 339 N C 1.864 177.324 175.510 -0.083 0.000 1.027 339 N CA 1.797 54.806 53.050 -0.067 0.000 0.849 339 N CB -0.356 38.112 38.487 -0.031 0.000 1.002 339 N HN 0.496 nan 8.380 nan 0.000 0.425 340 T N 1.540 116.040 114.554 -0.089 0.000 2.788 340 T HA -0.061 4.304 4.350 0.025 0.000 0.268 340 T C 1.966 176.583 174.700 -0.137 0.000 1.044 340 T CA 0.709 62.759 62.100 -0.084 0.000 1.139 340 T CB -0.209 68.632 68.868 -0.046 0.000 0.867 340 T HN 0.147 nan 8.240 nan 0.000 0.454 341 L N 0.604 121.674 121.223 -0.256 0.000 2.056 341 L HA -0.123 4.232 4.340 0.025 0.000 0.207 341 L C 2.970 179.752 176.870 -0.147 0.000 1.078 341 L CA 1.358 56.012 54.840 -0.310 0.000 0.749 341 L CB -0.463 41.219 42.059 -0.628 0.000 0.901 341 L HN 0.309 nan 8.230 nan 0.000 0.433 342 Q N 0.093 119.826 119.800 -0.111 0.000 2.084 342 Q HA -0.248 4.107 4.340 0.025 0.000 0.202 342 Q C 1.951 177.928 176.000 -0.038 0.000 0.978 342 Q CA 1.724 57.499 55.803 -0.046 0.000 0.844 342 Q CB 0.113 28.828 28.738 -0.039 0.000 0.898 342 Q HN 0.531 nan 8.270 nan 0.000 0.426 343 E N -0.236 119.935 120.200 -0.048 0.000 2.152 343 E HA -0.124 4.241 4.350 0.025 0.000 0.192 343 E C 1.492 178.074 176.600 -0.031 0.000 0.983 343 E CA 0.609 56.989 56.400 -0.033 0.000 0.818 343 E CB 0.230 29.912 29.700 -0.030 0.000 0.758 343 E HN -0.014 nan 8.360 nan 0.000 0.467 344 K N -0.422 119.950 120.400 -0.046 0.000 2.525 344 K HA 0.060 4.395 4.320 0.025 0.000 0.192 344 K C 0.785 177.366 176.600 -0.031 0.000 1.029 344 K CA 0.579 56.841 56.287 -0.042 0.000 1.029 344 K CB 0.195 32.657 32.500 -0.064 0.000 0.814 344 K HN 0.266 nan 8.250 nan 0.000 0.503 345 G N -0.593 108.195 108.800 -0.021 0.000 2.157 345 G HA2 -0.254 3.721 3.960 0.025 0.000 0.239 345 G HA3 -0.254 3.721 3.960 0.025 0.000 0.239 345 G C 0.185 175.090 174.900 0.009 0.000 0.982 345 G CA 0.037 45.134 45.100 -0.005 0.000 0.650 345 G HN 0.479 nan 8.290 nan 0.000 0.527 346 A N 0.445 123.272 122.820 0.011 0.000 2.491 346 A HA 0.539 4.874 4.320 0.025 0.000 0.261 346 A C 1.275 178.909 177.584 0.085 0.000 1.101 346 A CA 0.767 52.849 52.037 0.075 0.000 0.772 346 A CB 0.093 19.157 19.000 0.105 0.000 1.043 346 A HN 0.856 nan 8.150 nan 0.000 0.501 347 N N 2.351 121.093 118.700 0.071 0.000 2.463 347 N HA -0.033 4.722 4.740 0.025 0.000 0.181 347 N C 0.671 176.181 175.510 0.000 0.000 1.078 347 N CA 0.376 53.444 53.050 0.031 0.000 0.902 347 N CB 0.045 38.543 38.487 0.019 0.000 0.970 347 N HN 0.672 nan 8.380 nan 0.000 0.451 348 R N 0.725 121.209 120.500 -0.027 0.000 2.500 348 R HA 0.141 4.496 4.340 0.025 0.000 0.275 348 R C -1.168 175.012 176.300 -0.200 0.000 1.051 348 R CA -0.517 55.462 56.100 -0.201 0.000 1.088 348 R CB 0.583 30.571 30.300 -0.521 0.000 1.063 348 R HN 0.045 nan 8.270 nan 0.000 0.511 349 D N 1.970 122.261 120.400 -0.181 0.000 2.316 349 D HA 0.084 4.739 4.640 0.025 0.000 0.245 349 D C -0.505 175.682 176.300 -0.189 0.000 1.171 349 D CA -0.114 53.834 54.000 -0.088 0.000 0.856 349 D CB 0.328 41.124 40.800 -0.007 0.000 1.090 349 D HN 0.383 nan 8.370 nan 0.000 0.476 350 F N 2.079 121.921 119.950 -0.180 0.000 2.639 350 F HA 0.164 4.706 4.527 0.025 0.000 0.300 350 F C 2.133 177.568 175.800 -0.608 0.000 1.109 350 F CA -0.247 57.437 58.000 -0.526 0.000 1.335 350 F CB 0.298 38.982 39.000 -0.526 0.000 1.014 350 F HN 0.338 nan 8.300 nan 0.000 0.537 351 S N 0.441 116.059 115.700 -0.136 0.000 2.419 351 S HA -0.219 4.266 4.470 0.025 0.000 0.235 351 S C 2.012 176.588 174.600 -0.039 0.000 1.019 351 S CA 1.366 59.527 58.200 -0.065 0.000 0.982 351 S CB -0.590 62.621 63.200 0.019 0.000 0.789 351 S HN 0.625 nan 8.310 nan 0.000 0.490 352 F N 1.168 121.127 119.950 0.016 0.000 2.250 352 F HA -0.049 4.493 4.527 0.025 0.000 0.301 352 F C 1.669 177.530 175.800 0.100 0.000 1.077 352 F CA 0.588 58.610 58.000 0.036 0.000 1.348 352 F CB -0.974 37.976 39.000 -0.084 0.000 1.040 352 F HN 0.109 nan 8.300 nan 0.000 0.509 353 I N 0.617 120.996 120.570 -0.318 0.000 2.335 353 I HA -0.274 3.911 4.170 0.025 0.000 0.251 353 I C 2.363 178.522 176.117 0.070 0.000 1.129 353 I CA 0.764 62.017 61.300 -0.079 0.000 1.402 353 I CB -0.439 37.466 38.000 -0.158 0.000 1.069 353 I HN 0.182 nan 8.210 nan 0.000 0.424 354 I N 0.847 121.444 120.570 0.045 0.000 2.454 354 I HA -0.248 3.938 4.170 0.025 0.000 0.254 354 I C 2.068 178.251 176.117 0.109 0.000 1.156 354 I CA 1.629 62.973 61.300 0.073 0.000 1.433 354 I CB -0.902 37.131 38.000 0.054 0.000 1.082 354 I HN 0.303 nan 8.210 nan 0.000 0.432 355 K N 0.301 120.790 120.400 0.147 0.000 2.459 355 K HA 0.025 4.360 4.320 0.025 0.000 0.193 355 K C 0.550 177.259 176.600 0.181 0.000 1.030 355 K CA 0.065 56.452 56.287 0.166 0.000 1.026 355 K CB 0.095 32.710 32.500 0.191 0.000 0.809 355 K HN 0.454 nan 8.250 nan 0.000 0.504 356 Q N 1.051 120.966 119.800 0.192 0.000 2.259 356 Q HA 0.177 4.532 4.340 0.025 0.000 0.246 356 Q C -0.510 175.578 176.000 0.146 0.000 0.920 356 Q CA -0.490 55.425 55.803 0.185 0.000 0.895 356 Q CB 0.929 29.799 28.738 0.221 0.000 1.220 356 Q HN 0.038 nan 8.270 nan 0.000 0.439 357 N N 0.370 119.153 118.700 0.138 0.000 2.466 357 N HA 0.577 5.332 4.740 0.025 0.000 0.294 357 N C 0.146 175.684 175.510 0.047 0.000 1.129 357 N CA 0.456 53.586 53.050 0.133 0.000 0.931 357 N CB 1.694 40.307 38.487 0.211 0.000 1.193 357 N HN 0.845 nan 8.380 nan 0.000 0.500 358 G N 0.319 109.127 108.800 0.013 0.000 2.615 358 G HA2 -0.253 3.722 3.960 0.025 0.000 0.218 358 G HA3 -0.253 3.722 3.960 0.025 0.000 0.218 358 G C 0.688 175.407 174.900 -0.301 0.000 1.339 358 G CA -0.017 44.962 45.100 -0.201 0.000 0.884 358 G HN 0.487 nan 8.290 nan 0.000 0.559 359 M N -0.343 118.854 119.600 -0.672 0.000 2.394 359 M HA 0.228 4.723 4.480 0.025 0.000 0.264 359 M C 0.275 176.196 176.300 -0.631 0.000 1.073 359 M CA 1.208 56.071 55.300 -0.728 0.000 1.111 359 M CB -0.025 31.891 32.600 -1.140 0.000 1.401 359 M HN 0.257 nan 8.290 nan 0.000 0.448 360 F N -0.802 119.060 119.950 -0.146 0.000 2.469 360 F HA 0.388 4.930 4.527 0.025 0.000 0.332 360 F C 0.387 176.202 175.800 0.025 0.000 1.103 360 F CA -1.289 56.679 58.000 -0.053 0.000 0.979 360 F CB 1.198 40.181 39.000 -0.029 0.000 1.137 360 F HN -0.298 nan 8.300 nan 0.000 0.463 361 S N 3.374 119.248 115.700 0.290 0.000 2.438 361 S HA 0.459 4.944 4.470 0.025 0.000 0.316 361 S C -1.100 173.732 174.600 0.386 0.000 1.084 361 S CA -0.411 57.954 58.200 0.276 0.000 1.107 361 S CB -0.014 63.270 63.200 0.140 0.000 0.981 361 S HN 0.443 nan 8.310 nan 0.000 0.466 362 F N 5.502 125.589 119.950 0.228 0.000 2.377 362 F HA 0.287 4.829 4.527 0.025 0.000 0.360 362 F C 1.673 177.708 175.800 0.390 0.000 1.147 362 F CA -0.862 57.252 58.000 0.190 0.000 1.170 362 F CB 0.544 39.554 39.000 0.017 0.000 1.339 362 F HN 0.775 nan 8.300 nan 0.000 0.552 363 S N 2.778 118.649 115.700 0.285 0.000 2.423 363 S HA 0.045 4.530 4.470 0.025 0.000 0.231 363 S C 1.792 176.662 174.600 0.449 0.000 1.014 363 S CA 0.759 59.214 58.200 0.425 0.000 0.965 363 S CB -0.620 62.760 63.200 0.301 0.000 0.785 363 S HN 1.407 nan 8.310 nan 0.000 0.495 364 G N 0.620 109.494 108.800 0.122 0.000 2.141 364 G HA2 -0.205 3.770 3.960 0.025 0.000 0.242 364 G HA3 -0.205 3.770 3.960 0.025 0.000 0.242 364 G C -0.078 174.869 174.900 0.080 0.000 0.982 364 G CA 0.180 45.342 45.100 0.103 0.000 0.662 364 G HN 0.552 nan 8.290 nan 0.000 0.527 365 L N 1.740 123.001 121.223 0.063 0.000 2.417 365 L HA 0.499 4.854 4.340 0.025 0.000 0.268 365 L C 1.624 178.493 176.870 -0.001 0.000 1.158 365 L CA 0.084 54.960 54.840 0.061 0.000 0.819 365 L CB 0.819 42.917 42.059 0.065 0.000 1.112 365 L HN 0.409 nan 8.230 nan 0.000 0.458 366 T N -1.507 113.057 114.554 0.016 0.000 2.849 366 T HA 0.119 4.484 4.350 0.025 0.000 0.284 366 T C 1.004 175.704 174.700 -0.000 0.000 1.004 366 T CA -0.675 61.427 62.100 0.003 0.000 1.021 366 T CB 1.221 70.097 68.868 0.014 0.000 1.013 366 T HN 0.733 nan 8.240 nan 0.000 0.527 367 K N 0.561 120.959 120.400 -0.003 0.000 2.089 367 K HA -0.256 4.079 4.320 0.025 0.000 0.210 367 K C 1.740 178.341 176.600 0.002 0.000 1.048 367 K CA 2.180 58.465 56.287 -0.003 0.000 0.926 367 K CB -0.226 32.273 32.500 -0.000 0.000 0.714 367 K HN 0.722 nan 8.250 nan 0.000 0.448 368 E N 0.498 120.703 120.200 0.009 0.000 2.152 368 E HA -0.114 4.251 4.350 0.025 0.000 0.192 368 E C 2.124 178.738 176.600 0.024 0.000 0.983 368 E CA 1.140 57.548 56.400 0.014 0.000 0.818 368 E CB 0.044 29.754 29.700 0.016 0.000 0.758 368 E HN 0.415 nan 8.360 nan 0.000 0.467 369 Q N -0.059 119.759 119.800 0.030 0.000 2.083 369 Q HA -0.075 4.280 4.340 0.025 0.000 0.198 369 Q C 2.178 178.200 176.000 0.037 0.000 0.969 369 Q CA 1.119 56.948 55.803 0.044 0.000 0.838 369 Q CB 0.055 28.823 28.738 0.049 0.000 0.900 369 Q HN 0.146 nan 8.270 nan 0.000 0.436 370 V N 0.860 120.785 119.914 0.017 0.000 2.343 370 V HA -0.234 3.901 4.120 0.025 0.000 0.247 370 V C 2.082 178.167 176.094 -0.015 0.000 1.051 370 V CA 1.253 63.554 62.300 0.001 0.000 1.036 370 V CB -0.405 31.412 31.823 -0.010 0.000 0.654 370 V HN 0.325 nan 8.190 nan 0.000 0.451 371 L N 0.209 121.425 121.223 -0.011 0.000 2.056 371 L HA -0.105 4.250 4.340 0.025 0.000 0.207 371 L C 2.507 179.370 176.870 -0.012 0.000 1.078 371 L CA 1.953 56.777 54.840 -0.025 0.000 0.749 371 L CB -0.936 41.115 42.059 -0.014 0.000 0.901 371 L HN 0.215 nan 8.230 nan 0.000 0.433 372 R N -1.018 119.501 120.500 0.031 0.000 2.092 372 R HA -0.108 4.247 4.340 0.025 0.000 0.231 372 R C 2.343 178.741 176.300 0.164 0.000 1.119 372 R CA 1.218 57.363 56.100 0.075 0.000 0.970 372 R CB -0.226 30.139 30.300 0.108 0.000 0.864 372 R HN 0.386 nan 8.270 nan 0.000 0.440 373 L N 0.284 121.602 121.223 0.159 0.000 2.042 373 L HA -0.219 4.136 4.340 0.025 0.000 0.210 373 L C 2.848 179.803 176.870 0.143 0.000 1.076 373 L CA 1.647 56.616 54.840 0.216 0.000 0.749 373 L CB -0.369 41.728 42.059 0.064 0.000 0.893 373 L HN 0.268 nan 8.230 nan 0.000 0.432 374 R N 0.544 121.018 120.500 -0.044 0.000 2.055 374 R HA -0.196 4.159 4.340 0.025 0.000 0.228 374 R C 2.287 178.509 176.300 -0.129 0.000 1.143 374 R CA 1.739 57.692 56.100 -0.245 0.000 0.945 374 R CB -0.202 29.832 30.300 -0.444 0.000 0.841 374 R HN 0.524 nan 8.270 nan 0.000 0.429 375 E N -0.120 120.029 120.200 -0.086 0.000 2.085 375 E HA -0.256 4.109 4.350 0.025 0.000 0.194 375 E C 1.783 178.331 176.600 -0.086 0.000 0.994 375 E CA 1.712 58.073 56.400 -0.065 0.000 0.801 375 E CB -0.192 29.476 29.700 -0.054 0.000 0.743 375 E HN 0.552 nan 8.360 nan 0.000 0.453 376 E N -0.878 119.248 120.200 -0.124 0.000 2.307 376 E HA 0.033 4.398 4.350 0.025 0.000 0.195 376 E C 0.769 177.070 176.600 -0.500 0.000 0.975 376 E CA 0.234 56.413 56.400 -0.367 0.000 0.878 376 E CB 0.247 29.599 29.700 -0.579 0.000 0.845 376 E HN 0.342 nan 8.360 nan 0.000 0.488 377 F N -1.021 118.931 119.950 0.003 0.000 2.706 377 F HA 0.365 4.907 4.527 0.025 0.000 0.313 377 F C 1.250 177.086 175.800 0.060 0.000 1.096 377 F CA 0.266 58.282 58.000 0.026 0.000 1.219 377 F CB 1.442 40.456 39.000 0.025 0.000 1.051 377 F HN 0.082 nan 8.300 nan 0.000 0.568 378 G N 1.448 110.372 108.800 0.207 0.000 2.203 378 G HA2 -0.267 3.708 3.960 0.025 0.000 0.263 378 G HA3 -0.267 3.708 3.960 0.025 0.000 0.263 378 G C -0.135 175.016 174.900 0.419 0.000 1.012 378 G CA 0.300 45.575 45.100 0.293 0.000 0.749 378 G HN 0.185 nan 8.290 nan 0.000 0.512 379 V N 0.932 121.006 119.914 0.267 0.000 2.333 379 V HA 0.468 4.603 4.120 0.025 0.000 0.274 379 V C -0.186 176.003 176.094 0.158 0.000 1.028 379 V CA -0.909 61.543 62.300 0.253 0.000 0.851 379 V CB 0.748 32.650 31.823 0.131 0.000 1.000 379 V HN 0.235 nan 8.190 nan 0.000 0.456 380 Y N 3.709 124.079 120.300 0.117 0.000 2.367 380 Y HA 0.705 5.271 4.550 0.026 0.000 0.342 380 Y C 0.504 176.407 175.900 0.004 0.000 0.979 380 Y CA -0.384 57.760 58.100 0.074 0.000 1.161 380 Y CB 1.447 39.961 38.460 0.091 0.000 1.155 380 Y HN 0.709 nan 8.280 nan 0.000 0.503 381 A N 2.366 125.230 122.820 0.074 0.000 2.479 381 A HA 0.801 5.136 4.320 0.025 0.000 0.296 381 A C -1.141 176.463 177.584 0.033 0.000 1.121 381 A CA -0.839 51.224 52.037 0.044 0.000 0.743 381 A CB 0.881 19.893 19.000 0.020 0.000 1.323 381 A HN 0.416 nan 8.150 nan 0.000 0.415 382 V N 1.404 121.332 119.914 0.024 0.000 2.715 382 V HA 0.308 4.443 4.120 0.025 0.000 0.299 382 V C 1.818 177.914 176.094 0.004 0.000 1.054 382 V CA 0.710 63.017 62.300 0.012 0.000 1.077 382 V CB 1.075 32.895 31.823 -0.006 0.000 0.972 382 V HN 1.285 nan 8.190 nan 0.000 0.484 383 A N 3.470 126.290 122.820 0.001 0.000 2.084 383 A HA -0.153 4.182 4.320 0.025 0.000 0.221 383 A C 2.213 179.791 177.584 -0.010 0.000 1.161 383 A CA 2.041 54.075 52.037 -0.006 0.000 0.653 383 A CB -0.592 18.405 19.000 -0.004 0.000 0.802 383 A HN 1.107 nan 8.150 nan 0.000 0.457 384 S N -2.031 113.674 115.700 0.008 0.000 2.555 384 S HA 0.326 4.811 4.470 0.025 0.000 0.230 384 S C 1.476 175.970 174.600 -0.177 0.000 0.978 384 S CA 1.084 59.290 58.200 0.009 0.000 0.934 384 S CB -0.426 62.888 63.200 0.190 0.000 0.766 384 S HN 1.938 nan 8.310 nan 0.000 0.533 385 G N 1.241 109.969 108.800 -0.120 0.000 2.175 385 G HA2 -0.287 3.688 3.960 0.025 0.000 0.244 385 G HA3 -0.287 3.688 3.960 0.025 0.000 0.244 385 G C 0.087 174.924 174.900 -0.106 0.000 0.982 385 G CA -0.004 44.997 45.100 -0.165 0.000 0.641 385 G HN 0.688 nan 8.290 nan 0.000 0.527 386 R N 0.561 121.071 120.500 0.018 0.000 2.401 386 R HA 0.473 4.828 4.340 0.025 0.000 0.299 386 R C 0.445 176.798 176.300 0.089 0.000 1.064 386 R CA 0.405 56.599 56.100 0.157 0.000 1.000 386 R CB 0.583 30.941 30.300 0.097 0.000 0.973 386 R HN 0.654 nan 8.270 nan 0.000 0.438 387 V N 2.007 122.001 119.914 0.133 0.000 2.555 387 V HA 0.370 4.505 4.120 0.025 0.000 0.302 387 V C -0.465 175.726 176.094 0.162 0.000 1.038 387 V CA -1.290 61.054 62.300 0.074 0.000 0.887 387 V CB 1.775 33.563 31.823 -0.059 0.000 0.991 387 V HN 0.698 nan 8.190 nan 0.000 0.434 388 N N 3.357 122.137 118.700 0.133 0.000 2.415 388 N HA 0.234 4.989 4.740 0.025 0.000 0.250 388 N C 0.691 176.132 175.510 -0.116 0.000 1.127 388 N CA -0.019 53.084 53.050 0.088 0.000 0.945 388 N CB 1.298 39.826 38.487 0.069 0.000 1.196 388 N HN 0.590 nan 8.380 nan 0.000 0.499 389 V N 3.214 123.033 119.914 -0.159 0.000 2.626 389 V HA -0.172 3.963 4.120 0.025 0.000 0.252 389 V C 2.059 178.051 176.094 -0.170 0.000 1.067 389 V CA 2.003 64.177 62.300 -0.211 0.000 1.081 389 V CB -0.881 30.848 31.823 -0.157 0.000 0.686 389 V HN 0.777 nan 8.190 nan 0.000 0.468 390 A N 0.305 123.027 122.820 -0.163 0.000 2.209 390 A HA 0.098 4.433 4.320 0.025 0.000 0.212 390 A C 2.150 179.601 177.584 -0.220 0.000 1.158 390 A CA 1.244 53.193 52.037 -0.147 0.000 0.742 390 A CB -0.556 18.408 19.000 -0.060 0.000 0.790 390 A HN 0.539 nan 8.150 nan 0.000 0.472 391 G N -1.190 107.498 108.800 -0.187 0.000 2.939 391 G HA2 0.320 4.295 3.960 0.025 0.000 0.210 391 G HA3 0.320 4.295 3.960 0.025 0.000 0.210 391 G C 0.570 175.372 174.900 -0.162 0.000 1.160 391 G CA -0.293 44.698 45.100 -0.182 0.000 0.770 391 G HN 0.450 nan 8.290 nan 0.000 0.543 392 M N 1.613 121.114 119.600 -0.165 0.000 2.274 392 M HA 0.455 4.950 4.480 0.025 0.000 0.344 392 M C 0.259 176.497 176.300 -0.104 0.000 1.161 392 M CA -0.128 55.091 55.300 -0.134 0.000 1.126 392 M CB 1.741 34.244 32.600 -0.162 0.000 1.522 392 M HN 0.102 nan 8.290 nan 0.000 0.461 393 T N -1.565 112.949 114.554 -0.068 0.000 2.841 393 T HA 0.497 4.862 4.350 0.025 0.000 0.296 393 T C -2.629 172.058 174.700 -0.022 0.000 1.166 393 T CA -1.635 60.436 62.100 -0.048 0.000 1.007 393 T CB 1.718 70.556 68.868 -0.049 0.000 1.253 393 T HN 0.284 nan 8.240 nan 0.000 0.511 394 P HA 0.093 nan 4.420 nan 0.000 0.223 394 P C 0.381 177.682 177.300 0.002 0.000 1.151 394 P CA 0.799 63.899 63.100 -0.000 0.000 0.787 394 P CB -0.010 31.690 31.700 0.002 0.000 0.788 395 D N -0.961 119.438 120.400 -0.001 0.000 2.162 395 D HA -0.096 4.559 4.640 0.025 0.000 0.203 395 D C 1.517 177.822 176.300 0.008 0.000 0.967 395 D CA 0.979 54.981 54.000 0.004 0.000 0.840 395 D CB -0.516 40.285 40.800 0.002 0.000 0.972 395 D HN 0.381 nan 8.370 nan 0.000 0.482 396 N N -0.333 118.370 118.700 0.004 0.000 2.280 396 N HA -0.005 4.750 4.740 0.025 0.000 0.192 396 N C 1.430 176.948 175.510 0.012 0.000 1.109 396 N CA -0.135 52.922 53.050 0.012 0.000 0.855 396 N CB 0.153 38.648 38.487 0.013 0.000 0.974 396 N HN -0.025 nan 8.380 nan 0.000 0.482 397 M N 1.944 121.551 119.600 0.012 0.000 2.117 397 M HA 0.049 4.544 4.480 0.025 0.000 0.262 397 M C 2.127 178.445 176.300 0.030 0.000 1.065 397 M CA 1.234 56.552 55.300 0.029 0.000 1.114 397 M CB -0.388 32.233 32.600 0.034 0.000 1.361 397 M HN 0.331 nan 8.290 nan 0.000 0.408 398 A N 0.780 123.610 122.820 0.016 0.000 1.855 398 A HA -0.026 4.309 4.320 0.025 0.000 0.215 398 A C -0.308 177.278 177.584 0.004 0.000 1.191 398 A CA 1.501 53.542 52.037 0.007 0.000 0.613 398 A CB -2.250 16.754 19.000 0.006 0.000 0.829 398 A HN 0.486 nan 8.150 nan 0.000 0.442 399 P HA -0.129 nan 4.420 nan 0.000 0.218 399 P C 1.673 178.974 177.300 0.001 0.000 1.149 399 P CA 1.182 64.294 63.100 0.021 0.000 0.817 399 P CB -0.179 31.548 31.700 0.044 0.000 0.785 400 L N 0.082 121.311 121.223 0.009 0.000 2.027 400 L HA -0.058 4.297 4.340 0.025 0.000 0.206 400 L C 2.283 179.142 176.870 -0.018 0.000 1.074 400 L CA 1.944 56.786 54.840 0.004 0.000 0.745 400 L CB -1.551 40.521 42.059 0.021 0.000 0.898 400 L HN -0.097 nan 8.230 nan 0.000 0.433 401 C N 0.076 119.375 119.300 -0.002 0.000 2.432 401 C HA -0.063 4.412 4.460 0.025 0.000 0.280 401 C C 2.573 177.497 174.990 -0.110 0.000 1.353 401 C CA 0.815 59.800 59.018 -0.055 0.000 1.766 401 C CB -1.006 26.693 27.740 -0.068 0.000 1.924 401 C HN 0.631 nan 8.230 nan 0.000 0.509 402 E N 0.972 121.115 120.200 -0.095 0.000 2.072 402 E HA -0.117 4.248 4.350 0.025 0.000 0.191 402 E C 2.375 178.827 176.600 -0.245 0.000 0.985 402 E CA 1.243 57.576 56.400 -0.112 0.000 0.801 402 E CB -0.197 29.473 29.700 -0.050 0.000 0.750 402 E HN 0.648 nan 8.360 nan 0.000 0.452 403 A N 1.056 123.662 122.820 -0.356 0.000 1.877 403 A HA -0.188 4.147 4.320 0.025 0.000 0.216 403 A C 2.162 179.358 177.584 -0.646 0.000 1.186 403 A CA 1.143 52.673 52.037 -0.845 0.000 0.620 403 A CB -0.602 18.026 19.000 -0.620 0.000 0.822 403 A HN 0.152 nan 8.150 nan 0.000 0.443 404 I N 0.325 120.707 120.570 -0.313 0.000 2.179 404 I HA -0.159 4.026 4.170 0.025 0.000 0.242 404 I C 1.607 177.640 176.117 -0.141 0.000 1.088 404 I CA 0.950 62.139 61.300 -0.187 0.000 1.357 404 I CB -0.621 37.300 38.000 -0.132 0.000 1.051 404 I HN 0.361 nan 8.210 nan 0.000 0.409 408 V N -0.560 119.338 119.914 -0.026 0.000 3.650 408 V HA 0.453 4.588 4.120 0.025 0.000 0.271 408 V C 0.930 177.057 176.094 0.056 0.000 1.281 408 V CA 0.111 62.444 62.300 0.055 0.000 1.120 408 V CB -0.795 31.066 31.823 0.063 0.000 0.856 408 V HN 0.351 nan 8.190 nan 0.000 0.443 409 L N 0.000 121.252 121.223 0.049 0.000 2.949 409 L HA 0.000 4.355 4.340 0.025 0.000 0.249 409 L CA 0.000 54.880 54.840 0.067 0.000 0.813 409 L CB 0.000 42.114 42.059 0.092 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502