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 1olc_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADVPAGVQLA DKQTLVRNNG SEVQSLDPHK IEGVPESNVS RDLFEGLLIS DATA SEQUENCE DVEGHPSPGV AEKWENKDFK VWTFHLRENA KWSDGTPVTA HDFVYSWQRL DATA SEQUENCE ADPNTASPYA SYLQYGHIAN IDDIIAGKKP ATDLGVKALD DHTFEVTLSE DATA SEQUENCE PVPYFYKLLV HPSVSPVPKS AVEKFGDKWT QPANIVTNGA YKLKNWVVNE DATA SEQUENCE RIVLERNPQY WDNAKTVINQ VTYLPISSEV TDVNRYRSGE IDMTYNNMPI DATA SEQUENCE ELFQKLKKEI PNEVRVDPYL cTYYYEINNQ KAPFNDVRVR TALKLALDRD DATA SEQUENCE IIVNKVKNQG DLPAYSYTPP YTDGAKLVEP EWFKWSQQKR NEEAKKLLAE DATA SEQUENCE AGFTADKPLT FDLLYNTSDL HKKLAIAVAS IWKKNLGVNV NLENQEWKTF DATA SEQUENCE LDTRHQGTFD VARAGWcADY NEPTSFLNTM LSDSSNNTAH YKSPAFDKLI DATA SEQUENCE ADTLKVADDT QRSELYAKAE QQLDKDSAIV PVYYYVNARL VKPWVGGYTG DATA SEQUENCE KDPLDNIYVK NLYIIKH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.634 177.584 0.083 0.000 1.274 1 A CA 0.000 52.125 52.037 0.147 0.000 0.836 1 A CB 0.000 19.133 19.000 0.221 0.000 0.831 2 D N 2.180 122.640 120.400 0.101 0.000 2.477 2 D HA 0.394 5.087 4.640 0.089 0.000 0.239 2 D C -0.212 176.064 176.300 -0.040 0.000 1.102 2 D CA 0.059 54.079 54.000 0.033 0.000 0.901 2 D CB 1.580 42.416 40.800 0.059 0.000 1.026 2 D HN 0.300 nan 8.370 nan 0.000 0.515 3 V N 3.763 123.555 119.914 -0.204 0.000 2.479 3 V HA 0.135 4.308 4.120 0.089 0.000 0.281 3 V C -1.601 174.369 176.094 -0.207 0.000 1.031 3 V CA -1.129 60.905 62.300 -0.444 0.000 1.038 3 V CB 0.165 31.655 31.823 -0.555 0.000 0.981 3 V HN 0.309 nan 8.190 nan 0.000 0.478 4 P HA 0.290 nan 4.420 nan 0.000 0.270 4 P C -0.337 176.935 177.300 -0.046 0.000 1.223 4 P CA -0.199 62.880 63.100 -0.036 0.000 0.785 4 P CB 0.456 32.173 31.700 0.029 0.000 0.923 5 A N 1.379 124.189 122.820 -0.017 0.000 2.409 5 A HA 0.515 4.889 4.320 0.089 0.000 0.262 5 A C 1.302 178.885 177.584 -0.002 0.000 1.113 5 A CA 0.465 52.493 52.037 -0.014 0.000 0.790 5 A CB -0.778 18.218 19.000 -0.007 0.000 1.046 5 A HN 0.870 nan 8.150 nan 0.000 0.496 6 G N 1.201 109.999 108.800 -0.004 0.000 2.213 6 G HA2 -0.167 3.846 3.960 0.089 0.000 0.226 6 G HA3 -0.167 3.846 3.960 0.089 0.000 0.226 6 G C 0.266 175.176 174.900 0.018 0.000 0.992 6 G CA 0.029 45.134 45.100 0.009 0.000 0.632 6 G HN 1.261 nan 8.290 nan 0.000 0.511 7 V N 1.385 121.306 119.914 0.012 0.000 2.614 7 V HA 0.438 4.611 4.120 0.089 0.000 0.291 7 V C 0.656 176.766 176.094 0.026 0.000 1.049 7 V CA 0.271 62.596 62.300 0.040 0.000 1.038 7 V CB 1.537 33.386 31.823 0.045 0.000 0.980 7 V HN 0.439 nan 8.190 nan 0.000 0.481 8 Q N 4.112 123.945 119.800 0.055 0.000 2.314 8 Q HA 0.532 4.926 4.340 0.089 0.000 0.259 8 Q C -0.880 175.164 176.000 0.074 0.000 0.951 8 Q CA -0.151 55.678 55.803 0.044 0.000 0.909 8 Q CB 1.612 30.374 28.738 0.039 0.000 1.236 8 Q HN 0.605 nan 8.270 nan 0.000 0.444 9 L N 2.036 123.292 121.223 0.054 0.000 2.312 9 L HA 0.555 4.949 4.340 0.089 0.000 0.281 9 L C 0.360 177.265 176.870 0.058 0.000 1.070 9 L CA -0.785 54.106 54.840 0.085 0.000 0.805 9 L CB 1.097 43.187 42.059 0.053 0.000 1.174 9 L HN 0.665 nan 8.230 nan 0.000 0.434 10 A N 2.037 124.902 122.820 0.074 0.000 2.429 10 A HA 0.004 4.377 4.320 0.089 0.000 0.242 10 A C 0.596 178.177 177.584 -0.005 0.000 1.088 10 A CA -0.034 52.006 52.037 0.005 0.000 0.784 10 A CB 0.123 19.125 19.000 0.004 0.000 1.038 10 A HN 0.879 nan 8.150 nan 0.000 0.501 11 D N -0.485 119.890 120.400 -0.042 0.000 2.162 11 D HA 0.050 4.743 4.640 0.089 0.000 0.203 11 D C 0.047 176.333 176.300 -0.024 0.000 0.967 11 D CA 1.352 55.332 54.000 -0.033 0.000 0.840 11 D CB 0.080 40.851 40.800 -0.048 0.000 0.972 11 D HN 0.389 nan 8.370 nan 0.000 0.482 12 K N 1.265 121.643 120.400 -0.037 0.000 2.281 12 K HA 0.255 4.628 4.320 0.089 0.000 0.272 12 K C -0.643 175.962 176.600 0.008 0.000 1.048 12 K CA -0.236 56.039 56.287 -0.021 0.000 0.898 12 K CB 1.235 33.710 32.500 -0.041 0.000 1.128 12 K HN -0.149 nan 8.250 nan 0.000 0.460 13 Q N 2.646 122.465 119.800 0.031 0.000 2.810 13 Q HA 0.160 4.553 4.340 0.089 0.000 0.236 13 Q C -0.530 175.502 176.000 0.053 0.000 1.278 13 Q CA -0.192 55.648 55.803 0.061 0.000 1.065 13 Q CB 0.547 29.333 28.738 0.080 0.000 1.364 13 Q HN 0.750 nan 8.270 nan 0.000 0.570 14 T N -1.434 113.142 114.554 0.037 0.000 2.906 14 T HA 0.784 5.187 4.350 0.089 0.000 0.295 14 T C -0.712 173.990 174.700 0.003 0.000 1.075 14 T CA -0.906 61.201 62.100 0.013 0.000 1.005 14 T CB 1.948 70.815 68.868 -0.001 0.000 1.136 14 T HN 0.250 nan 8.240 nan 0.000 0.498 15 L N 1.306 122.499 121.223 -0.050 0.000 2.445 15 L HA 0.815 5.208 4.340 0.089 0.000 0.262 15 L C -1.667 175.120 176.870 -0.138 0.000 0.974 15 L CA -0.705 54.092 54.840 -0.073 0.000 0.822 15 L CB 2.374 44.361 42.059 -0.120 0.000 1.339 15 L HN 0.710 nan 8.230 nan 0.000 0.409 16 V N 4.827 124.673 119.914 -0.113 0.000 2.444 16 V HA 0.649 4.823 4.120 0.089 0.000 0.294 16 V C -0.306 175.682 176.094 -0.177 0.000 1.022 16 V CA -0.616 61.596 62.300 -0.148 0.000 0.850 16 V CB 1.532 33.311 31.823 -0.073 0.000 0.992 16 V HN 0.692 nan 8.190 nan 0.000 0.426 17 R N 2.814 123.138 120.500 -0.294 0.000 2.637 17 R HA 0.452 4.846 4.340 0.089 0.000 0.291 17 R C -0.659 175.567 176.300 -0.124 0.000 0.963 17 R CA -0.880 55.071 56.100 -0.249 0.000 0.901 17 R CB 2.117 32.143 30.300 -0.456 0.000 1.160 17 R HN 0.700 nan 8.270 nan 0.000 0.457 18 N N 0.697 119.383 118.700 -0.024 0.000 2.518 18 N HA 0.022 4.815 4.740 0.089 0.000 0.283 18 N C 0.040 175.594 175.510 0.074 0.000 1.119 18 N CA -0.023 53.039 53.050 0.020 0.000 0.983 18 N CB 0.791 39.301 38.487 0.039 0.000 1.139 18 N HN 0.460 nan 8.380 nan 0.000 0.465 19 N N 1.336 120.032 118.700 -0.006 0.000 2.197 19 N HA 0.233 5.026 4.740 0.089 0.000 0.228 19 N C 0.725 175.851 175.510 -0.641 0.000 1.212 19 N CA 0.553 53.538 53.050 -0.108 0.000 0.883 19 N CB 0.224 38.724 38.487 0.022 0.000 1.107 19 N HN 0.771 nan 8.380 nan 0.000 0.519 20 G N -0.262 108.075 108.800 -0.771 0.000 2.458 20 G HA2 -0.307 3.707 3.960 0.089 0.000 0.237 20 G HA3 -0.307 3.707 3.960 0.089 0.000 0.237 20 G C 0.142 174.700 174.900 -0.570 0.000 1.113 20 G CA 0.770 45.244 45.100 -1.044 0.000 0.655 20 G HN 1.085 nan 8.290 nan 0.000 0.513 21 S N -1.346 114.087 115.700 -0.446 0.000 2.656 21 S HA 0.537 5.060 4.470 0.089 0.000 0.265 21 S C -1.087 173.448 174.600 -0.108 0.000 1.132 21 S CA 0.186 58.243 58.200 -0.237 0.000 0.819 21 S CB 1.867 64.909 63.200 -0.264 0.000 1.119 21 S HN 1.097 nan 8.310 nan 0.000 0.476 22 E N 1.492 121.715 120.200 0.037 0.000 2.316 22 E HA 0.440 4.844 4.350 0.089 0.000 0.275 22 E C 0.315 177.034 176.600 0.198 0.000 1.029 22 E CA -0.488 55.984 56.400 0.120 0.000 0.871 22 E CB 0.824 30.617 29.700 0.155 0.000 1.022 22 E HN 0.930 nan 8.360 nan 0.000 0.418 23 V N 2.995 122.993 119.914 0.140 0.000 2.963 23 V HA -0.005 4.168 4.120 0.089 0.000 0.306 23 V C 1.286 177.513 176.094 0.221 0.000 1.077 23 V CA 0.535 62.924 62.300 0.149 0.000 1.124 23 V CB 1.122 32.919 31.823 -0.044 0.000 0.987 23 V HN 0.915 nan 8.190 nan 0.000 0.487 24 Q N 2.073 121.996 119.800 0.206 0.000 2.230 24 Q HA 0.117 4.511 4.340 0.089 0.000 0.202 24 Q C 0.923 177.003 176.000 0.133 0.000 0.963 24 Q CA 1.216 57.096 55.803 0.129 0.000 0.866 24 Q CB 0.227 28.989 28.738 0.040 0.000 0.931 24 Q HN 0.978 nan 8.270 nan 0.000 0.452 25 S N -1.824 113.931 115.700 0.092 0.000 2.633 25 S HA 0.282 4.806 4.470 0.089 0.000 0.271 25 S C -0.668 173.872 174.600 -0.100 0.000 1.112 25 S CA -0.808 57.441 58.200 0.081 0.000 0.828 25 S CB 0.489 63.727 63.200 0.063 0.000 1.086 25 S HN 0.250 nan 8.310 nan 0.000 0.461 26 L N 1.251 122.365 121.223 -0.182 0.000 2.640 26 L HA 0.365 4.759 4.340 0.089 0.000 0.230 26 L C 0.300 177.057 176.870 -0.187 0.000 1.123 26 L CA -0.004 54.670 54.840 -0.275 0.000 0.900 26 L CB 0.133 41.936 42.059 -0.427 0.000 1.146 26 L HN 0.595 nan 8.230 nan 0.000 0.484 27 D N 1.488 121.789 120.400 -0.164 0.000 2.325 27 D HA 0.101 4.795 4.640 0.089 0.000 0.251 27 D C -1.660 174.574 176.300 -0.110 0.000 1.196 27 D CA -2.001 51.948 54.000 -0.086 0.000 0.866 27 D CB 1.846 42.697 40.800 0.085 0.000 1.101 27 D HN -0.114 nan 8.370 nan 0.000 0.476 28 P HA -0.103 nan 4.420 nan 0.000 0.223 28 P C 0.398 177.647 177.300 -0.084 0.000 1.144 28 P CA 1.219 64.167 63.100 -0.254 0.000 0.783 28 P CB 0.034 31.489 31.700 -0.408 0.000 0.771 29 H N -1.499 117.546 119.070 -0.041 0.000 2.539 29 H HA 0.194 4.803 4.556 0.089 0.000 0.269 29 H C 1.143 176.480 175.328 0.015 0.000 0.980 29 H CA 0.010 56.047 56.048 -0.017 0.000 1.152 29 H CB 0.425 30.182 29.762 -0.007 0.000 1.407 29 H HN -0.073 nan 8.280 nan 0.000 0.564 30 K N 1.009 121.480 120.400 0.118 0.000 2.413 30 K HA 0.193 4.566 4.320 0.089 0.000 0.204 30 K C 0.285 176.921 176.600 0.060 0.000 1.041 30 K CA 0.026 56.362 56.287 0.081 0.000 1.082 30 K CB 0.912 33.456 32.500 0.073 0.000 0.871 30 K HN 0.381 nan 8.250 nan 0.000 0.535 31 I N -2.694 117.917 120.570 0.069 0.000 2.707 31 I HA 0.355 4.579 4.170 0.089 0.000 0.309 31 I C 0.489 176.728 176.117 0.203 0.000 1.001 31 I CA -0.485 60.863 61.300 0.081 0.000 1.129 31 I CB 2.003 40.010 38.000 0.010 0.000 1.308 31 I HN -0.098 nan 8.210 nan 0.000 0.466 32 E N 1.906 122.237 120.200 0.219 0.000 2.679 32 E HA 0.286 4.690 4.350 0.089 0.000 0.221 32 E C 0.416 177.215 176.600 0.332 0.000 0.928 32 E CA -0.189 56.437 56.400 0.376 0.000 1.296 32 E CB 1.081 30.904 29.700 0.205 0.000 1.235 32 E HN 0.981 nan 8.360 nan 0.000 0.622 33 G N -0.035 108.941 108.800 0.295 0.000 2.601 33 G HA2 0.334 4.348 3.960 0.089 0.000 0.317 33 G HA3 0.334 4.348 3.960 0.089 0.000 0.317 33 G C 0.800 175.808 174.900 0.179 0.000 1.246 33 G CA -0.431 44.894 45.100 0.375 0.000 1.012 33 G HN -0.019 nan 8.290 nan 0.000 0.494 34 V N 1.090 121.078 119.914 0.124 0.000 2.307 34 V HA -0.064 4.110 4.120 0.089 0.000 0.245 34 V C -0.098 175.997 176.094 0.002 0.000 1.045 34 V CA 2.102 64.420 62.300 0.029 0.000 1.024 34 V CB -0.844 31.006 31.823 0.045 0.000 0.651 34 V HN 0.499 nan 8.190 nan 0.000 0.449 35 P HA -0.155 nan 4.420 nan 0.000 0.215 35 P C 1.475 178.694 177.300 -0.135 0.000 1.157 35 P CA 1.399 64.408 63.100 -0.152 0.000 0.874 35 P CB 0.007 31.520 31.700 -0.311 0.000 0.790 36 E N -0.708 119.474 120.200 -0.030 0.000 2.085 36 E HA -0.127 4.277 4.350 0.089 0.000 0.194 36 E C 2.132 178.643 176.600 -0.147 0.000 0.994 36 E CA 1.562 57.921 56.400 -0.068 0.000 0.801 36 E CB -1.068 28.648 29.700 0.027 0.000 0.743 36 E HN 0.161 nan 8.360 nan 0.000 0.453 37 S N 0.568 116.187 115.700 -0.134 0.000 2.406 37 S HA -0.053 4.471 4.470 0.089 0.000 0.228 37 S C 1.546 176.018 174.600 -0.215 0.000 1.020 37 S CA 0.562 58.650 58.200 -0.187 0.000 0.965 37 S CB -0.201 62.888 63.200 -0.185 0.000 0.798 37 S HN 0.240 nan 8.310 nan 0.000 0.488 38 N N 1.598 120.168 118.700 -0.216 0.000 2.084 38 N HA -0.063 4.730 4.740 0.089 0.000 0.190 38 N C 1.717 176.978 175.510 -0.415 0.000 1.030 38 N CA 1.103 54.005 53.050 -0.248 0.000 0.849 38 N CB -0.699 37.681 38.487 -0.178 0.000 1.012 38 N HN 0.213 nan 8.380 nan 0.000 0.423 39 V N 0.234 119.786 119.914 -0.603 0.000 2.453 39 V HA -0.104 4.070 4.120 0.089 0.000 0.247 39 V C 2.455 178.356 176.094 -0.321 0.000 1.048 39 V CA 1.398 63.288 62.300 -0.683 0.000 1.049 39 V CB -0.625 30.761 31.823 -0.729 0.000 0.672 39 V HN 0.298 nan 8.190 nan 0.000 0.457 40 S N -0.331 115.241 115.700 -0.213 0.000 2.370 40 S HA -0.210 4.314 4.470 0.089 0.000 0.226 40 S C 2.173 176.766 174.600 -0.011 0.000 1.033 40 S CA 1.473 59.651 58.200 -0.037 0.000 1.011 40 S CB -0.269 62.898 63.200 -0.055 0.000 0.852 40 S HN 0.517 nan 8.310 nan 0.000 0.457 41 R N 0.416 120.853 120.500 -0.105 0.000 2.152 41 R HA -0.050 4.343 4.340 0.089 0.000 0.232 41 R C 1.306 177.649 176.300 0.071 0.000 1.117 41 R CA 1.435 57.496 56.100 -0.064 0.000 0.981 41 R CB -0.241 29.804 30.300 -0.425 0.000 0.870 41 R HN 0.440 nan 8.270 nan 0.000 0.451 42 D N -0.068 120.337 120.400 0.008 0.000 2.305 42 D HA -0.008 4.685 4.640 0.089 0.000 0.206 42 D C 1.750 178.069 176.300 0.032 0.000 0.974 42 D CA 0.727 54.790 54.000 0.105 0.000 0.871 42 D CB 0.300 41.130 40.800 0.051 0.000 0.947 42 D HN 0.206 nan 8.370 nan 0.000 0.516 43 L N -1.194 119.970 121.223 -0.098 0.000 2.316 43 L HA 0.147 4.541 4.340 0.089 0.000 0.207 43 L C 0.012 176.568 176.870 -0.523 0.000 1.070 43 L CA 0.449 55.073 54.840 -0.361 0.000 0.820 43 L CB 0.275 41.961 42.059 -0.622 0.000 0.992 43 L HN -0.164 nan 8.230 nan 0.000 0.466 44 F N -0.323 119.659 119.950 0.054 0.000 2.529 44 F HA 0.412 4.992 4.527 0.088 0.000 0.320 44 F C -0.002 175.848 175.800 0.083 0.000 1.118 44 F CA -0.791 57.256 58.000 0.078 0.000 0.915 44 F CB 1.610 40.670 39.000 0.101 0.000 1.161 44 F HN -0.200 nan 8.300 nan 0.000 0.445 45 E N 1.637 121.988 120.200 0.251 0.000 2.199 45 E HA 0.660 5.063 4.350 0.089 0.000 0.269 45 E C -0.221 176.553 176.600 0.290 0.000 0.899 45 E CA -0.573 55.983 56.400 0.260 0.000 0.772 45 E CB 1.737 31.608 29.700 0.285 0.000 1.155 45 E HN 0.829 nan 8.360 nan 0.000 0.408 46 G N 2.680 111.665 108.800 0.308 0.000 2.736 46 G HA2 0.195 4.208 3.960 0.089 0.000 0.229 46 G HA3 0.195 4.208 3.960 0.089 0.000 0.229 46 G C 0.797 175.836 174.900 0.231 0.000 1.380 46 G CA -0.516 44.819 45.100 0.391 0.000 1.040 46 G HN 0.579 nan 8.290 nan 0.000 0.568 47 L N -1.228 119.990 121.223 -0.008 0.000 2.017 47 L HA 0.059 4.453 4.340 0.089 0.000 0.208 47 L C 0.535 177.353 176.870 -0.087 0.000 1.073 47 L CA 0.861 55.553 54.840 -0.248 0.000 0.745 47 L CB -0.493 41.188 42.059 -0.629 0.000 0.894 47 L HN 0.102 nan 8.230 nan 0.000 0.432 48 L N -1.251 119.934 121.223 -0.063 0.000 2.323 48 L HA 0.549 4.943 4.340 0.089 0.000 0.265 48 L C -0.264 176.675 176.870 0.114 0.000 1.012 48 L CA -0.431 54.413 54.840 0.008 0.000 0.820 48 L CB 1.993 44.001 42.059 -0.085 0.000 1.334 48 L HN -0.030 nan 8.230 nan 0.000 0.427 49 I N -3.268 117.395 120.570 0.155 0.000 3.239 49 I HA 0.715 4.938 4.170 0.089 0.000 0.314 49 I C -0.602 175.628 176.117 0.187 0.000 1.126 49 I CA -0.711 60.684 61.300 0.160 0.000 0.973 49 I CB 2.284 40.255 38.000 -0.048 0.000 1.252 49 I HN 0.347 nan 8.210 nan 0.000 0.463 50 S N 1.512 117.365 115.700 0.256 0.000 2.541 50 S HA 0.309 4.833 4.470 0.089 0.000 0.283 50 S C -0.669 174.048 174.600 0.195 0.000 1.196 50 S CA -0.625 57.736 58.200 0.269 0.000 1.062 50 S CB 1.067 64.470 63.200 0.338 0.000 1.009 50 S HN 0.797 nan 8.310 nan 0.000 0.502 51 D N 0.561 121.079 120.400 0.197 0.000 2.414 51 D HA 0.032 4.726 4.640 0.089 0.000 0.259 51 D C 1.522 177.916 176.300 0.156 0.000 1.269 51 D CA -0.646 53.458 54.000 0.173 0.000 1.028 51 D CB -0.112 40.828 40.800 0.233 0.000 1.093 51 D HN 0.275 nan 8.370 nan 0.000 0.545 52 V N -3.253 116.745 119.914 0.140 0.000 3.241 52 V HA -0.008 4.166 4.120 0.089 0.000 0.269 52 V C 1.148 177.271 176.094 0.049 0.000 1.151 52 V CA 1.192 63.565 62.300 0.121 0.000 1.158 52 V CB -1.131 30.767 31.823 0.124 0.000 0.764 52 V HN 0.531 nan 8.190 nan 0.000 0.508 53 E N 0.495 120.687 120.200 -0.014 0.000 2.498 53 E HA 0.388 4.792 4.350 0.089 0.000 0.203 53 E C 1.602 178.023 176.600 -0.299 0.000 1.013 53 E CA 0.456 56.761 56.400 -0.160 0.000 0.927 53 E CB 0.781 30.364 29.700 -0.195 0.000 1.012 53 E HN 0.759 nan 8.360 nan 0.000 0.482 54 G N 1.651 110.364 108.800 -0.145 0.000 2.176 54 G HA2 -0.232 3.782 3.960 0.089 0.000 0.232 54 G HA3 -0.232 3.782 3.960 0.089 0.000 0.232 54 G C -0.132 174.749 174.900 -0.032 0.000 0.986 54 G CA -0.112 44.945 45.100 -0.072 0.000 0.643 54 G HN 0.404 nan 8.290 nan 0.000 0.522 55 H N 1.339 120.510 119.070 0.168 0.000 2.582 55 H HA 0.446 5.033 4.556 0.052 0.000 0.345 55 H C -2.281 173.182 175.328 0.225 0.000 1.104 55 H CA -1.666 54.498 56.048 0.194 0.000 1.390 55 H CB 0.917 30.793 29.762 0.191 0.000 1.461 55 H HN 0.078 nan 8.280 nan 0.000 0.551 56 P HA 0.001 nan 4.420 nan 0.000 0.262 56 P C -0.812 176.735 177.300 0.411 0.000 1.199 56 P CA 0.487 63.796 63.100 0.349 0.000 0.763 56 P CB 0.726 32.664 31.700 0.398 0.000 0.790 57 S N 4.555 120.468 115.700 0.354 0.000 2.697 57 S HA 0.642 5.166 4.470 0.089 0.000 0.289 57 S C -2.843 171.994 174.600 0.395 0.000 1.149 57 S CA -1.861 56.577 58.200 0.396 0.000 0.850 57 S CB 0.959 64.336 63.200 0.295 0.000 1.151 57 S HN 0.178 nan 8.310 nan 0.000 0.491 58 P HA 0.262 nan 4.420 nan 0.000 0.267 58 P C 0.096 177.581 177.300 0.308 0.000 1.209 58 P CA 0.298 63.649 63.100 0.419 0.000 0.763 58 P CB 0.357 32.248 31.700 0.318 0.000 0.816 59 G N 1.593 110.540 108.800 0.245 0.000 3.110 59 G HA2 0.114 4.127 3.960 0.089 0.000 0.207 59 G HA3 0.114 4.127 3.960 0.089 0.000 0.207 59 G C 1.027 176.020 174.900 0.155 0.000 1.841 59 G CA -0.214 45.064 45.100 0.296 0.000 0.751 59 G HN 0.253 nan 8.290 nan 0.000 0.771 60 V N 1.850 121.840 119.914 0.126 0.000 2.427 60 V HA 0.165 4.339 4.120 0.089 0.000 0.248 60 V C 1.817 177.865 176.094 -0.076 0.000 1.051 60 V CA 1.444 63.738 62.300 -0.009 0.000 1.048 60 V CB -0.707 31.191 31.823 0.124 0.000 0.666 60 V HN 0.595 nan 8.190 nan 0.000 0.456 61 A N -0.143 122.687 122.820 0.017 0.000 2.309 61 A HA 0.287 4.660 4.320 0.089 0.000 0.290 61 A C 1.084 178.812 177.584 0.240 0.000 1.206 61 A CA -0.299 51.837 52.037 0.165 0.000 0.850 61 A CB 0.238 19.452 19.000 0.356 0.000 1.118 61 A HN 0.489 nan 8.150 nan 0.000 0.523 62 E N 1.450 121.738 120.200 0.147 0.000 2.072 62 E HA -0.066 4.337 4.350 0.089 0.000 0.190 62 E C 0.562 177.250 176.600 0.148 0.000 0.982 62 E CA 1.120 57.566 56.400 0.075 0.000 0.803 62 E CB 0.092 29.777 29.700 -0.025 0.000 0.755 62 E HN 0.758 nan 8.360 nan 0.000 0.453 63 K N -0.373 120.171 120.400 0.240 0.000 2.556 63 K HA 0.328 4.701 4.320 0.089 0.000 0.274 63 K C -1.893 174.923 176.600 0.359 0.000 0.966 63 K CA -0.843 55.458 56.287 0.025 0.000 0.865 63 K CB 1.394 33.789 32.500 -0.175 0.000 1.444 63 K HN 0.067 nan 8.250 nan 0.000 0.433 64 W N 0.115 121.489 121.300 0.123 0.000 3.074 64 W HA 0.692 5.400 4.660 0.081 0.000 0.332 64 W C -1.454 175.030 176.519 -0.057 0.000 1.253 64 W CA -0.628 56.709 57.345 -0.014 0.000 1.180 64 W CB 0.990 30.316 29.460 -0.224 0.000 1.445 64 W HN 0.665 nan 8.180 nan 0.000 0.573 65 E N 1.038 121.255 120.200 0.029 0.000 2.429 65 E HA 0.491 4.895 4.350 0.089 0.000 0.276 65 E C -1.318 175.143 176.600 -0.230 0.000 0.953 65 E CA -1.176 55.161 56.400 -0.105 0.000 0.787 65 E CB 2.168 31.801 29.700 -0.112 0.000 1.307 65 E HN 0.545 nan 8.360 nan 0.000 0.458 66 N N -0.554 117.880 118.700 -0.444 0.000 2.357 66 N HA 0.412 5.206 4.740 0.089 0.000 0.284 66 N C -1.540 173.611 175.510 -0.598 0.000 1.236 66 N CA -1.112 51.440 53.050 -0.830 0.000 0.774 66 N CB 1.837 39.276 38.487 -1.746 0.000 1.534 66 N HN 0.314 nan 8.380 nan 0.000 0.478 67 K N 1.134 121.193 120.400 -0.570 0.000 2.507 67 K HA 0.260 4.633 4.320 0.089 0.000 0.253 67 K C -1.003 175.330 176.600 -0.445 0.000 0.969 67 K CA -0.390 55.648 56.287 -0.415 0.000 0.908 67 K CB 0.293 32.631 32.500 -0.271 0.000 1.127 67 K HN 0.652 nan 8.250 nan 0.000 0.437 68 D N 4.057 124.132 120.400 -0.540 0.000 3.012 68 D HA -0.217 4.477 4.640 0.089 0.000 0.222 68 D C -0.437 175.590 176.300 -0.456 0.000 1.167 68 D CA 1.356 55.053 54.000 -0.506 0.000 0.854 68 D CB -1.150 39.515 40.800 -0.226 0.000 1.107 68 D HN 0.756 nan 8.370 nan 0.000 0.421 69 F N -2.272 117.534 119.950 -0.240 0.000 3.006 69 F HA -0.294 4.286 4.527 0.088 0.000 0.289 69 F C 1.697 177.569 175.800 0.119 0.000 0.772 69 F CA 1.533 59.507 58.000 -0.042 0.000 1.162 69 F CB -2.123 36.975 39.000 0.162 0.000 1.382 69 F HN 0.258 nan 8.300 nan 0.000 0.406 70 K N -0.730 119.652 120.400 -0.029 0.000 2.462 70 K HA 0.466 4.840 4.320 0.089 0.000 0.201 70 K C -0.120 176.492 176.600 0.020 0.000 1.268 70 K CA 0.625 56.953 56.287 0.068 0.000 0.933 70 K CB 0.963 33.467 32.500 0.006 0.000 1.162 70 K HN -0.016 nan 8.250 nan 0.000 0.527 71 V N 2.054 121.859 119.914 -0.182 0.000 2.376 71 V HA 0.356 4.529 4.120 0.089 0.000 0.287 71 V C -1.527 174.404 176.094 -0.270 0.000 1.015 71 V CA -0.681 61.544 62.300 -0.124 0.000 0.834 71 V CB 0.843 32.592 31.823 -0.123 0.000 1.001 71 V HN 0.181 nan 8.190 nan 0.000 0.428 72 W N 2.556 123.811 121.300 -0.076 0.000 2.429 72 W HA 0.669 5.381 4.660 0.087 0.000 0.314 72 W C 0.232 176.613 176.519 -0.230 0.000 1.062 72 W CA -0.395 56.896 57.345 -0.091 0.000 1.211 72 W CB 1.948 31.505 29.460 0.163 0.000 1.305 72 W HN 0.378 nan 8.180 nan 0.000 0.476 73 T N 3.982 118.403 114.554 -0.221 0.000 2.792 73 T HA 0.528 4.932 4.350 0.089 0.000 0.280 73 T C -1.134 173.297 174.700 -0.448 0.000 0.990 73 T CA -0.564 61.380 62.100 -0.260 0.000 0.960 73 T CB 0.526 69.281 68.868 -0.189 0.000 0.939 73 T HN -0.021 nan 8.240 nan 0.000 0.439 74 F N 2.505 122.431 119.950 -0.039 0.000 2.444 74 F HA 0.341 4.920 4.527 0.087 0.000 0.342 74 F C 0.891 176.567 175.800 -0.207 0.000 1.121 74 F CA -0.976 57.053 58.000 0.049 0.000 0.997 74 F CB 1.155 40.233 39.000 0.131 0.000 1.130 74 F HN 0.512 nan 8.300 nan 0.000 0.454 75 H N 5.461 124.692 119.070 0.268 0.000 2.690 75 H HA 0.319 4.928 4.556 0.088 0.000 0.289 75 H C -0.181 175.233 175.328 0.144 0.000 1.089 75 H CA -0.374 55.771 56.048 0.162 0.000 1.299 75 H CB 0.783 30.595 29.762 0.083 0.000 1.405 75 H HN 0.436 nan 8.280 nan 0.000 0.463 76 L N 3.862 125.193 121.223 0.180 0.000 2.380 76 L HA 0.232 4.625 4.340 0.089 0.000 0.273 76 L C 1.234 178.125 176.870 0.034 0.000 1.138 76 L CA -0.570 54.334 54.840 0.106 0.000 0.832 76 L CB 0.582 42.723 42.059 0.136 0.000 1.124 76 L HN 0.476 nan 8.230 nan 0.000 0.454 77 R N 1.497 121.937 120.500 -0.101 0.000 2.590 77 R HA 0.044 4.438 4.340 0.089 0.000 0.274 77 R C 0.215 176.397 176.300 -0.196 0.000 1.061 77 R CA -0.332 55.641 56.100 -0.212 0.000 1.081 77 R CB 0.743 30.792 30.300 -0.419 0.000 0.984 77 R HN 0.629 nan 8.270 nan 0.000 0.448 78 E N 1.019 121.060 120.200 -0.264 0.000 2.204 78 E HA -0.171 4.233 4.350 0.089 0.000 0.194 78 E C 0.688 177.214 176.600 -0.124 0.000 0.989 78 E CA 1.401 57.609 56.400 -0.319 0.000 0.824 78 E CB 0.093 29.597 29.700 -0.328 0.000 0.756 78 E HN 0.766 nan 8.360 nan 0.000 0.477 79 N N 0.175 118.817 118.700 -0.097 0.000 2.276 79 N HA 0.065 4.858 4.740 0.089 0.000 0.212 79 N C -0.441 175.084 175.510 0.025 0.000 1.127 79 N CA 0.056 53.099 53.050 -0.012 0.000 0.834 79 N CB 0.229 38.723 38.487 0.012 0.000 1.014 79 N HN -0.072 nan 8.380 nan 0.000 0.491 80 A N 1.064 123.868 122.820 -0.027 0.000 2.454 80 A HA 0.403 4.777 4.320 0.089 0.000 0.260 80 A C 0.162 177.772 177.584 0.043 0.000 1.106 80 A CA -0.129 51.919 52.037 0.018 0.000 0.780 80 A CB 0.409 19.377 19.000 -0.053 0.000 1.044 80 A HN 0.252 nan 8.150 nan 0.000 0.498 81 K N 1.764 122.198 120.400 0.057 0.000 2.482 81 K HA 0.342 4.716 4.320 0.089 0.000 0.257 81 K C -1.253 175.337 176.600 -0.017 0.000 0.969 81 K CA -0.488 55.828 56.287 0.049 0.000 0.842 81 K CB 1.294 33.870 32.500 0.127 0.000 1.359 81 K HN 0.728 nan 8.250 nan 0.000 0.441 82 W N 0.765 122.146 121.300 0.135 0.000 2.086 82 W HA 0.014 4.730 4.660 0.093 0.000 0.355 82 W C 1.764 178.343 176.519 0.100 0.000 1.313 82 W CA -0.059 57.358 57.345 0.120 0.000 1.358 82 W CB 0.493 30.014 29.460 0.102 0.000 1.166 82 W HN 0.731 nan 8.180 nan 0.000 0.630 83 S N -0.515 115.416 115.700 0.385 0.000 2.507 83 S HA -0.208 4.316 4.470 0.089 0.000 0.235 83 S C 0.911 175.624 174.600 0.188 0.000 0.988 83 S CA 1.295 59.627 58.200 0.220 0.000 0.944 83 S CB -0.451 62.849 63.200 0.166 0.000 0.762 83 S HN 0.615 nan 8.310 nan 0.000 0.526 84 D N 0.077 120.607 120.400 0.217 0.000 2.339 84 D HA 0.274 4.968 4.640 0.089 0.000 0.217 84 D C 1.398 177.785 176.300 0.144 0.000 1.050 84 D CA 0.531 54.620 54.000 0.148 0.000 0.856 84 D CB -0.493 40.377 40.800 0.116 0.000 0.922 84 D HN 0.519 nan 8.370 nan 0.000 0.518 85 G N 0.276 109.183 108.800 0.179 0.000 2.195 85 G HA2 -0.266 3.748 3.960 0.089 0.000 0.246 85 G HA3 -0.266 3.748 3.960 0.089 0.000 0.246 85 G C 0.520 175.528 174.900 0.180 0.000 0.984 85 G CA 0.390 45.583 45.100 0.155 0.000 0.633 85 G HN 0.784 nan 8.290 nan 0.000 0.525 86 T N 0.286 114.980 114.554 0.233 0.000 2.904 86 T HA 0.628 5.031 4.350 0.089 0.000 0.290 86 T C -2.223 172.692 174.700 0.358 0.000 1.018 86 T CA -1.294 60.954 62.100 0.247 0.000 1.075 86 T CB 2.241 71.224 68.868 0.192 0.000 0.986 86 T HN 0.137 nan 8.240 nan 0.000 0.523 87 P HA 0.282 nan 4.420 nan 0.000 0.275 87 P C -0.606 176.881 177.300 0.312 0.000 1.228 87 P CA -0.568 62.683 63.100 0.252 0.000 0.786 87 P CB 0.448 32.279 31.700 0.217 0.000 0.927 88 V N 2.967 122.955 119.914 0.123 0.000 2.406 88 V HA 0.361 4.534 4.120 0.089 0.000 0.272 88 V C 0.982 177.182 176.094 0.176 0.000 1.043 88 V CA 0.129 62.461 62.300 0.054 0.000 0.915 88 V CB 0.474 32.180 31.823 -0.195 0.000 0.988 88 V HN 0.780 nan 8.190 nan 0.000 0.466 89 T N 1.797 116.477 114.554 0.211 0.000 2.883 89 T HA 0.685 5.088 4.350 0.089 0.000 0.284 89 T C 1.152 175.916 174.700 0.107 0.000 1.041 89 T CA -0.058 62.115 62.100 0.122 0.000 1.007 89 T CB 1.945 70.885 68.868 0.121 0.000 1.220 89 T HN 0.571 nan 8.240 nan 0.000 0.552 90 A N -0.038 122.745 122.820 -0.062 0.000 1.972 90 A HA -0.104 4.269 4.320 0.089 0.000 0.219 90 A C 2.123 179.656 177.584 -0.085 0.000 1.169 90 A CA 1.399 53.395 52.037 -0.068 0.000 0.635 90 A CB -1.366 17.569 19.000 -0.108 0.000 0.810 90 A HN 0.948 nan 8.150 nan 0.000 0.446 91 H N 0.163 119.301 119.070 0.113 0.000 2.422 91 H HA -0.119 4.491 4.556 0.090 0.000 0.298 91 H C 1.395 176.786 175.328 0.105 0.000 1.098 91 H CA 1.560 57.672 56.048 0.106 0.000 1.315 91 H CB -0.288 29.512 29.762 0.064 0.000 1.382 91 H HN 0.459 nan 8.280 nan 0.000 0.523 92 D N 0.320 120.822 120.400 0.170 0.000 2.117 92 D HA -0.115 4.578 4.640 0.089 0.000 0.197 92 D C 2.055 178.309 176.300 -0.076 0.000 0.987 92 D CA 0.749 54.809 54.000 0.100 0.000 0.829 92 D CB -0.447 40.422 40.800 0.114 0.000 0.961 92 D HN 0.254 nan 8.370 nan 0.000 0.460 93 F N 0.461 120.283 119.950 -0.214 0.000 2.206 93 F HA -0.113 4.467 4.527 0.088 0.000 0.298 93 F C 2.481 178.002 175.800 -0.464 0.000 1.090 93 F CA 0.387 57.995 58.000 -0.653 0.000 1.323 93 F CB -0.541 37.472 39.000 -1.644 0.000 1.028 93 F HN -0.177 nan 8.300 nan 0.000 0.492 94 V N -0.636 119.306 119.914 0.048 0.000 2.295 94 V HA -0.338 3.836 4.120 0.089 0.000 0.246 94 V C 2.082 178.300 176.094 0.207 0.000 1.049 94 V CA 2.095 64.539 62.300 0.240 0.000 1.024 94 V CB -0.946 31.047 31.823 0.283 0.000 0.648 94 V HN 0.419 nan 8.190 nan 0.000 0.447 95 Y N 1.511 121.866 120.300 0.093 0.000 2.114 95 Y HA -0.245 4.358 4.550 0.089 0.000 0.284 95 Y C 2.722 178.690 175.900 0.113 0.000 1.143 95 Y CA 1.963 60.110 58.100 0.079 0.000 1.135 95 Y CB -0.503 37.974 38.460 0.030 0.000 0.980 95 Y HN 0.217 nan 8.280 nan 0.000 0.499 96 S N -0.252 115.454 115.700 0.011 0.000 2.356 96 S HA -0.211 4.313 4.470 0.089 0.000 0.223 96 S C 1.535 176.270 174.600 0.226 0.000 1.032 96 S CA 1.540 59.789 58.200 0.082 0.000 1.005 96 S CB -0.781 62.559 63.200 0.234 0.000 0.867 96 S HN 0.657 nan 8.310 nan 0.000 0.449 97 W N 2.262 123.567 121.300 0.008 0.000 2.425 97 W HA 0.043 4.755 4.660 0.087 0.000 0.277 97 W C 2.404 178.887 176.519 -0.060 0.000 1.231 97 W CA -0.007 57.348 57.345 0.017 0.000 1.248 97 W CB -1.050 28.521 29.460 0.186 0.000 1.117 97 W HN 0.436 nan 8.180 nan 0.000 0.568 98 Q N -0.230 119.654 119.800 0.141 0.000 2.123 98 Q HA -0.134 4.260 4.340 0.089 0.000 0.199 98 Q C 2.277 178.214 176.000 -0.106 0.000 0.966 98 Q CA 1.248 57.069 55.803 0.030 0.000 0.845 98 Q CB -0.394 28.363 28.738 0.033 0.000 0.907 98 Q HN 0.268 nan 8.270 nan 0.000 0.439 99 R N 0.670 121.018 120.500 -0.254 0.000 2.096 99 R HA -0.161 4.233 4.340 0.089 0.000 0.235 99 R C 2.153 178.249 176.300 -0.340 0.000 1.127 99 R CA 0.877 56.799 56.100 -0.297 0.000 0.968 99 R CB -0.132 29.938 30.300 -0.383 0.000 0.861 99 R HN 0.212 nan 8.270 nan 0.000 0.440 100 L N 0.407 121.310 121.223 -0.534 0.000 2.093 100 L HA 0.030 4.423 4.340 0.089 0.000 0.208 100 L C 2.136 178.856 176.870 -0.249 0.000 1.085 100 L CA 2.084 56.572 54.840 -0.588 0.000 0.755 100 L CB -0.537 41.162 42.059 -0.600 0.000 0.904 100 L HN 0.198 nan 8.230 nan 0.000 0.435 101 A N -1.406 121.325 122.820 -0.148 0.000 2.014 101 A HA -0.114 4.259 4.320 0.089 0.000 0.218 101 A C 1.028 178.575 177.584 -0.061 0.000 1.163 101 A CA 0.608 52.599 52.037 -0.077 0.000 0.652 101 A CB -0.769 18.220 19.000 -0.019 0.000 0.808 101 A HN 0.490 nan 8.150 nan 0.000 0.449 102 D N 0.077 120.435 120.400 -0.070 0.000 2.412 102 D HA 0.111 4.805 4.640 0.089 0.000 0.257 102 D C -1.561 174.715 176.300 -0.040 0.000 1.217 102 D CA -1.687 52.285 54.000 -0.047 0.000 0.897 102 D CB 1.039 41.808 40.800 -0.052 0.000 1.132 102 D HN 0.035 nan 8.370 nan 0.000 0.493 103 P HA -0.143 nan 4.420 nan 0.000 0.217 103 P C 0.978 178.269 177.300 -0.014 0.000 1.148 103 P CA 0.910 63.998 63.100 -0.019 0.000 0.828 103 P CB 0.248 31.942 31.700 -0.011 0.000 0.783 104 N N -1.269 117.426 118.700 -0.009 0.000 2.289 104 N HA -0.080 4.713 4.740 0.089 0.000 0.184 104 N C 1.407 176.920 175.510 0.005 0.000 1.016 104 N CA 1.399 54.450 53.050 0.001 0.000 0.872 104 N CB -0.678 37.814 38.487 0.007 0.000 0.973 104 N HN 0.221 nan 8.380 nan 0.000 0.433 105 T N 0.737 115.288 114.554 -0.004 0.000 2.951 105 T HA 0.105 4.508 4.350 0.089 0.000 0.268 105 T C 1.067 175.771 174.700 0.006 0.000 1.073 105 T CA 0.801 62.907 62.100 0.011 0.000 1.134 105 T CB -0.151 68.710 68.868 -0.012 0.000 0.884 105 T HN 0.402 nan 8.240 nan 0.000 0.479 106 A N 1.656 124.467 122.820 -0.015 0.000 2.739 106 A HA -0.146 4.227 4.320 0.089 0.000 0.296 106 A C 0.877 178.438 177.584 -0.039 0.000 1.488 106 A CA 0.648 52.667 52.037 -0.030 0.000 0.746 106 A CB -2.237 16.749 19.000 -0.023 0.000 1.047 106 A HN 0.494 nan 8.150 nan 0.000 0.477 107 S N 0.199 115.881 115.700 -0.031 0.000 2.549 107 S HA 0.495 5.018 4.470 0.089 0.000 0.279 107 S C -0.223 174.350 174.600 -0.045 0.000 1.321 107 S CA -0.749 57.445 58.200 -0.010 0.000 1.054 107 S CB 0.655 63.854 63.200 -0.002 0.000 0.899 107 S HN 0.400 nan 8.310 nan 0.000 0.497 108 P HA -0.044 nan 4.420 nan 0.000 0.225 108 P C 0.007 177.235 177.300 -0.119 0.000 1.148 108 P CA 1.082 64.089 63.100 -0.155 0.000 0.779 108 P CB -0.056 31.538 31.700 -0.176 0.000 0.780 109 Y N -0.749 119.540 120.300 -0.018 0.000 2.708 109 Y HA 0.443 5.047 4.550 0.090 0.000 0.287 109 Y C 2.159 178.008 175.900 -0.085 0.000 1.145 109 Y CA -0.317 57.773 58.100 -0.017 0.000 1.249 109 Y CB -0.573 37.891 38.460 0.006 0.000 1.152 109 Y HN -0.069 nan 8.280 nan 0.000 0.532 110 A N -0.623 122.192 122.820 -0.010 0.000 1.917 110 A HA -0.222 4.152 4.320 0.089 0.000 0.219 110 A C 2.370 179.886 177.584 -0.112 0.000 1.182 110 A CA 2.321 54.320 52.037 -0.063 0.000 0.633 110 A CB -0.744 18.216 19.000 -0.067 0.000 0.819 110 A HN 0.351 nan 8.150 nan 0.000 0.448 111 S N -1.961 113.636 115.700 -0.171 0.000 2.500 111 S HA -0.117 4.406 4.470 0.089 0.000 0.239 111 S C 1.531 175.679 174.600 -0.754 0.000 0.989 111 S CA 0.902 58.893 58.200 -0.347 0.000 0.951 111 S CB -0.520 62.516 63.200 -0.273 0.000 0.759 111 S HN 0.635 nan 8.310 nan 0.000 0.523 112 Y N 1.968 121.879 120.300 -0.649 0.000 2.333 112 Y HA -0.041 4.562 4.550 0.087 0.000 0.290 112 Y C 1.649 177.312 175.900 -0.394 0.000 1.144 112 Y CA 0.955 58.688 58.100 -0.612 0.000 1.228 112 Y CB -0.254 38.103 38.460 -0.172 0.000 0.985 112 Y HN 0.231 nan 8.280 nan 0.000 0.542 113 L N -0.839 120.242 121.223 -0.237 0.000 2.313 113 L HA -0.178 4.216 4.340 0.089 0.000 0.214 113 L C 2.202 178.957 176.870 -0.192 0.000 1.119 113 L CA 0.901 55.628 54.840 -0.188 0.000 0.809 113 L CB -0.410 41.580 42.059 -0.115 0.000 0.933 113 L HN 0.220 nan 8.230 nan 0.000 0.449 114 Q N -0.919 118.737 119.800 -0.240 0.000 2.123 114 Q HA -0.166 4.227 4.340 0.089 0.000 0.199 114 Q C 2.122 177.939 176.000 -0.305 0.000 0.966 114 Q CA 1.264 56.923 55.803 -0.239 0.000 0.845 114 Q CB -0.055 28.614 28.738 -0.116 0.000 0.907 114 Q HN 0.427 nan 8.270 nan 0.000 0.439 115 Y N -0.200 119.940 120.300 -0.267 0.000 2.207 115 Y HA -0.097 4.506 4.550 0.088 0.000 0.287 115 Y C 2.398 178.203 175.900 -0.159 0.000 1.156 115 Y CA 1.166 59.153 58.100 -0.188 0.000 1.182 115 Y CB -1.132 37.242 38.460 -0.143 0.000 0.979 115 Y HN 0.145 nan 8.280 nan 0.000 0.521 116 G N -2.145 106.621 108.800 -0.056 0.000 2.623 116 G HA2 -0.100 3.913 3.960 0.089 0.000 0.214 116 G HA3 -0.100 3.913 3.960 0.089 0.000 0.214 116 G C 0.094 175.069 174.900 0.125 0.000 1.138 116 G CA 0.403 45.571 45.100 0.113 0.000 0.794 116 G HN 0.631 nan 8.290 nan 0.000 0.535 117 H N -0.537 118.552 119.070 0.032 0.000 2.770 117 H HA -0.132 4.477 4.556 0.089 0.000 0.309 117 H C 0.331 175.651 175.328 -0.012 0.000 1.206 117 H CA 0.612 56.669 56.048 0.014 0.000 1.147 117 H CB -1.961 27.804 29.762 0.005 0.000 1.422 117 H HN 0.348 nan 8.280 nan 0.000 0.420 118 I N 0.663 121.254 120.570 0.036 0.000 2.710 118 I HA 0.101 4.325 4.170 0.089 0.000 0.286 118 I C 1.462 177.616 176.117 0.061 0.000 1.181 118 I CA 0.356 61.691 61.300 0.059 0.000 1.430 118 I CB 0.662 38.744 38.000 0.136 0.000 1.367 118 I HN 0.372 nan 8.210 nan 0.000 0.577 119 A N 5.805 128.659 122.820 0.056 0.000 2.565 119 A HA -0.002 4.372 4.320 0.089 0.000 0.237 119 A C 1.071 178.686 177.584 0.053 0.000 1.053 119 A CA 0.139 52.208 52.037 0.052 0.000 0.755 119 A CB -0.170 18.853 19.000 0.039 0.000 0.980 119 A HN 0.983 nan 8.150 nan 0.000 0.506 120 N N -0.377 118.351 118.700 0.046 0.000 2.936 120 N HA -0.229 4.564 4.740 0.089 0.000 0.236 120 N C 0.625 176.156 175.510 0.034 0.000 0.930 120 N CA 1.217 54.291 53.050 0.040 0.000 0.966 120 N CB -1.513 36.997 38.487 0.039 0.000 1.090 120 N HN 0.787 nan 8.380 nan 0.000 0.592 121 I N 2.054 122.642 120.570 0.031 0.000 2.208 121 I HA -0.216 4.007 4.170 0.089 0.000 0.245 121 I C 1.673 177.794 176.117 0.006 0.000 1.097 121 I CA 1.929 63.237 61.300 0.013 0.000 1.363 121 I CB -0.161 37.834 38.000 -0.008 0.000 1.051 121 I HN 0.076 nan 8.210 nan 0.000 0.413 122 D N 0.576 120.984 120.400 0.013 0.000 2.123 122 D HA -0.183 4.510 4.640 0.089 0.000 0.196 122 D C 1.779 178.088 176.300 0.015 0.000 0.992 122 D CA 1.642 55.651 54.000 0.015 0.000 0.833 122 D CB -0.414 40.403 40.800 0.028 0.000 0.954 122 D HN 0.444 nan 8.370 nan 0.000 0.455 123 D N -0.172 120.239 120.400 0.019 0.000 2.183 123 D HA -0.003 4.690 4.640 0.089 0.000 0.203 123 D C 2.170 178.478 176.300 0.014 0.000 0.969 123 D CA 0.259 54.269 54.000 0.017 0.000 0.842 123 D CB -0.136 40.676 40.800 0.020 0.000 0.957 123 D HN 0.253 nan 8.370 nan 0.000 0.484 124 I N 0.462 121.040 120.570 0.014 0.000 2.252 124 I HA -0.163 4.060 4.170 0.089 0.000 0.245 124 I C 2.230 178.347 176.117 0.001 0.000 1.102 124 I CA 0.684 61.990 61.300 0.010 0.000 1.385 124 I CB -0.061 37.947 38.000 0.014 0.000 1.064 124 I HN -0.023 nan 8.210 nan 0.000 0.414 125 I N 0.937 121.505 120.570 -0.003 0.000 2.226 125 I HA -0.264 3.960 4.170 0.089 0.000 0.245 125 I C 2.456 178.571 176.117 -0.003 0.000 1.100 125 I CA 1.365 62.659 61.300 -0.010 0.000 1.374 125 I CB -0.407 37.583 38.000 -0.016 0.000 1.057 125 I HN 0.186 nan 8.210 nan 0.000 0.413 126 A N 0.227 123.049 122.820 0.003 0.000 2.235 126 A HA 0.230 4.603 4.320 0.089 0.000 0.208 126 A C 1.864 179.451 177.584 0.006 0.000 1.172 126 A CA 0.856 52.897 52.037 0.006 0.000 0.786 126 A CB -0.737 18.269 19.000 0.009 0.000 0.804 126 A HN 0.613 nan 8.150 nan 0.000 0.479 127 G N -0.319 108.484 108.800 0.005 0.000 2.184 127 G HA2 -0.346 3.668 3.960 0.089 0.000 0.264 127 G HA3 -0.346 3.668 3.960 0.089 0.000 0.264 127 G C 1.032 175.937 174.900 0.008 0.000 0.975 127 G CA 0.897 46.001 45.100 0.006 0.000 0.642 127 G HN 0.579 nan 8.290 nan 0.000 0.536 128 K N -0.345 120.061 120.400 0.010 0.000 2.155 128 K HA 0.085 4.458 4.320 0.089 0.000 0.203 128 K C 1.037 177.645 176.600 0.013 0.000 1.052 128 K CA 0.854 57.148 56.287 0.012 0.000 0.948 128 K CB 0.109 32.617 32.500 0.013 0.000 0.728 128 K HN 0.297 nan 8.250 nan 0.000 0.448 129 K N 0.854 121.263 120.400 0.015 0.000 2.469 129 K HA 0.307 4.680 4.320 0.089 0.000 0.254 129 K C -2.817 173.794 176.600 0.018 0.000 0.939 129 K CA -2.244 54.053 56.287 0.017 0.000 0.812 129 K CB 2.227 34.740 32.500 0.021 0.000 1.301 129 K HN -0.191 nan 8.250 nan 0.000 0.433 130 P HA 0.014 nan 4.420 nan 0.000 0.271 130 P C 0.154 177.470 177.300 0.026 0.000 1.218 130 P CA 0.044 63.156 63.100 0.021 0.000 0.780 130 P CB 0.755 32.469 31.700 0.023 0.000 0.901 131 A N 2.794 125.628 122.820 0.024 0.000 2.032 131 A HA -0.189 4.184 4.320 0.089 0.000 0.221 131 A C 1.906 179.519 177.584 0.048 0.000 1.165 131 A CA 2.401 54.455 52.037 0.029 0.000 0.645 131 A CB -1.965 17.042 19.000 0.011 0.000 0.807 131 A HN 0.676 nan 8.150 nan 0.000 0.453 132 T N -2.447 112.137 114.554 0.050 0.000 2.929 132 T HA -0.124 4.279 4.350 0.089 0.000 0.271 132 T C 1.011 175.746 174.700 0.059 0.000 1.085 132 T CA 1.542 63.678 62.100 0.061 0.000 1.125 132 T CB -0.442 68.459 68.868 0.055 0.000 0.874 132 T HN 0.400 nan 8.240 nan 0.000 0.494 133 D N 0.346 120.776 120.400 0.049 0.000 2.363 133 D HA 0.196 4.890 4.640 0.089 0.000 0.226 133 D C 0.387 176.721 176.300 0.056 0.000 1.020 133 D CA -0.148 53.880 54.000 0.046 0.000 0.892 133 D CB -0.343 40.479 40.800 0.037 0.000 0.900 133 D HN 0.270 nan 8.370 nan 0.000 0.531 134 L N 0.563 121.829 121.223 0.072 0.000 2.559 134 L HA 0.158 4.551 4.340 0.089 0.000 0.282 134 L C 1.362 178.286 176.870 0.090 0.000 1.232 134 L CA 0.263 55.158 54.840 0.093 0.000 0.885 134 L CB 0.574 42.714 42.059 0.135 0.000 1.131 134 L HN 0.048 nan 8.230 nan 0.000 0.498 135 G N 5.374 114.223 108.800 0.083 0.000 3.180 135 G HA2 0.360 4.373 3.960 0.089 0.000 0.246 135 G HA3 0.360 4.373 3.960 0.089 0.000 0.246 135 G C -0.315 174.605 174.900 0.034 0.000 0.939 135 G CA 0.450 45.583 45.100 0.055 0.000 1.920 135 G HN 0.749 nan 8.290 nan 0.000 0.612 136 V N -2.488 117.443 119.914 0.029 0.000 2.876 136 V HA 0.923 5.096 4.120 0.089 0.000 0.312 136 V C -0.654 175.404 176.094 -0.060 0.000 1.085 136 V CA -1.496 60.747 62.300 -0.095 0.000 0.945 136 V CB 2.248 34.082 31.823 0.018 0.000 1.017 136 V HN 0.310 nan 8.190 nan 0.000 0.428 137 K N 3.167 123.462 120.400 -0.176 0.000 2.546 137 K HA 0.835 5.208 4.320 0.089 0.000 0.264 137 K C -1.261 175.336 176.600 -0.006 0.000 0.937 137 K CA -0.285 55.986 56.287 -0.026 0.000 0.833 137 K CB 2.481 34.965 32.500 -0.027 0.000 1.378 137 K HN 1.417 nan 8.250 nan 0.000 0.432 138 A N 4.933 127.796 122.820 0.071 0.000 2.294 138 A HA 0.345 4.718 4.320 0.089 0.000 0.316 138 A C 0.790 178.378 177.584 0.007 0.000 1.359 138 A CA -0.787 51.251 52.037 0.002 0.000 0.956 138 A CB -0.058 18.809 19.000 -0.220 0.000 1.155 138 A HN 0.802 nan 8.150 nan 0.000 0.544 139 L N 0.955 122.174 121.223 -0.008 0.000 2.217 139 L HA 0.062 4.456 4.340 0.089 0.000 0.211 139 L C 0.547 177.434 176.870 0.027 0.000 1.107 139 L CA 1.109 55.955 54.840 0.011 0.000 0.783 139 L CB -0.459 41.599 42.059 -0.002 0.000 0.919 139 L HN 0.926 nan 8.230 nan 0.000 0.442 140 D N -4.675 115.723 120.400 -0.003 0.000 2.779 140 D HA 0.065 4.758 4.640 0.089 0.000 0.331 140 D C -0.052 176.174 176.300 -0.124 0.000 1.331 140 D CA -0.637 53.366 54.000 0.006 0.000 0.866 140 D CB 0.175 40.999 40.800 0.040 0.000 1.409 140 D HN -0.342 nan 8.370 nan 0.000 0.486 141 D N -1.460 118.848 120.400 -0.154 0.000 2.263 141 D HA -0.093 4.600 4.640 0.089 0.000 0.208 141 D C 0.514 176.429 176.300 -0.641 0.000 0.971 141 D CA 1.220 54.987 54.000 -0.387 0.000 0.867 141 D CB -0.046 40.493 40.800 -0.435 0.000 0.929 141 D HN 0.388 nan 8.370 nan 0.000 0.492 142 H N -1.233 117.857 119.070 0.033 0.000 2.581 142 H HA 0.294 4.904 4.556 0.089 0.000 0.275 142 H C -0.188 175.165 175.328 0.042 0.000 1.126 142 H CA 0.119 56.192 56.048 0.042 0.000 1.097 142 H CB 0.509 30.306 29.762 0.058 0.000 1.626 142 H HN -0.120 nan 8.280 nan 0.000 0.565 143 T N 1.280 115.871 114.554 0.061 0.000 2.949 143 T HA 0.210 4.614 4.350 0.089 0.000 0.300 143 T C -1.162 173.574 174.700 0.060 0.000 0.988 143 T CA -0.532 61.582 62.100 0.024 0.000 0.993 143 T CB 1.286 70.155 68.868 0.002 0.000 0.984 143 T HN 0.043 nan 8.240 nan 0.000 0.442 144 F N 2.958 122.857 119.950 -0.084 0.000 2.426 144 F HA 0.584 5.164 4.527 0.088 0.000 0.348 144 F C 0.029 175.855 175.800 0.043 0.000 1.124 144 F CA -1.110 56.849 58.000 -0.069 0.000 1.008 144 F CB 1.032 39.929 39.000 -0.172 0.000 1.139 144 F HN 0.521 nan 8.300 nan 0.000 0.452 145 E N 5.481 125.415 120.200 -0.443 0.000 2.176 145 E HA 0.577 4.980 4.350 0.089 0.000 0.267 145 E C -1.809 174.513 176.600 -0.462 0.000 0.893 145 E CA -0.727 55.481 56.400 -0.320 0.000 0.761 145 E CB 1.893 31.489 29.700 -0.173 0.000 1.133 145 E HN 0.506 nan 8.360 nan 0.000 0.409 146 V N 3.539 123.334 119.914 -0.198 0.000 2.448 146 V HA 0.352 4.525 4.120 0.089 0.000 0.295 146 V C -0.291 175.812 176.094 0.016 0.000 1.025 146 V CA -0.653 61.590 62.300 -0.095 0.000 0.859 146 V CB 1.986 33.911 31.823 0.171 0.000 0.988 146 V HN 0.712 nan 8.190 nan 0.000 0.431 147 T N 6.476 121.026 114.554 -0.006 0.000 2.770 147 T HA 0.636 5.040 4.350 0.089 0.000 0.283 147 T C -0.255 174.447 174.700 0.004 0.000 0.988 147 T CA -0.301 61.803 62.100 0.006 0.000 0.957 147 T CB 0.794 69.659 68.868 -0.005 0.000 0.930 147 T HN 0.342 nan 8.240 nan 0.000 0.443 148 L N 2.095 123.320 121.223 0.004 0.000 2.375 148 L HA 0.417 4.810 4.340 0.089 0.000 0.268 148 L C 1.625 178.516 176.870 0.034 0.000 1.058 148 L CA -0.815 54.023 54.840 -0.002 0.000 0.803 148 L CB 1.303 43.345 42.059 -0.029 0.000 1.212 148 L HN 0.737 nan 8.230 nan 0.000 0.451 149 S N -0.928 114.809 115.700 0.062 0.000 2.562 149 S HA 0.136 4.660 4.470 0.089 0.000 0.221 149 S C 0.314 174.933 174.600 0.031 0.000 0.975 149 S CA 0.040 58.273 58.200 0.054 0.000 0.918 149 S CB -0.024 63.226 63.200 0.082 0.000 0.772 149 S HN 0.725 nan 8.310 nan 0.000 0.531 150 E N 0.659 120.869 120.200 0.017 0.000 2.390 150 E HA 0.370 4.773 4.350 0.089 0.000 0.280 150 E C -3.230 173.381 176.600 0.019 0.000 0.992 150 E CA -2.529 53.862 56.400 -0.014 0.000 0.790 150 E CB 2.097 31.727 29.700 -0.117 0.000 1.248 150 E HN 0.014 nan 8.360 nan 0.000 0.447 151 P HA 0.085 nan 4.420 nan 0.000 0.271 151 P C -0.842 176.516 177.300 0.097 0.000 1.226 151 P CA -0.098 63.108 63.100 0.178 0.000 0.765 151 P CB 0.466 32.317 31.700 0.251 0.000 0.835 152 V N 7.227 127.234 119.914 0.154 0.000 2.385 152 V HA 0.171 4.344 4.120 0.089 0.000 0.277 152 V C -1.601 174.494 176.094 0.002 0.000 1.012 152 V CA -1.413 60.811 62.300 -0.126 0.000 0.832 152 V CB 1.647 33.331 31.823 -0.232 0.000 1.028 152 V HN 0.358 nan 8.190 nan 0.000 0.436 153 P HA -0.136 nan 4.420 nan 0.000 0.218 153 P C 0.993 178.406 177.300 0.189 0.000 1.148 153 P CA 1.311 64.228 63.100 -0.304 0.000 0.822 153 P CB -0.017 31.304 31.700 -0.631 0.000 0.784 154 Y N -4.365 116.008 120.300 0.122 0.000 2.461 154 Y HA 0.312 4.915 4.550 0.088 0.000 0.277 154 Y C 1.792 177.578 175.900 -0.191 0.000 1.182 154 Y CA -1.049 57.054 58.100 0.005 0.000 1.276 154 Y CB -1.557 36.889 38.460 -0.024 0.000 1.087 154 Y HN -0.200 nan 8.280 nan 0.000 0.519 155 F N 2.549 122.221 119.950 -0.464 0.000 2.087 155 F HA -0.330 4.253 4.527 0.092 0.000 0.299 155 F C 2.341 177.778 175.800 -0.605 0.000 1.100 155 F CA 1.891 59.495 58.000 -0.660 0.000 1.226 155 F CB -0.830 37.565 39.000 -1.008 0.000 0.983 155 F HN 0.319 nan 8.300 nan 0.000 0.479 156 Y N -0.235 119.667 120.300 -0.663 0.000 2.483 156 Y HA -0.005 4.596 4.550 0.084 0.000 0.291 156 Y C 1.942 177.629 175.900 -0.355 0.000 1.143 156 Y CA 1.025 58.793 58.100 -0.553 0.000 1.289 156 Y CB -1.463 36.861 38.460 -0.225 0.000 0.983 156 Y HN 0.044 nan 8.280 nan 0.000 0.556 157 K N 0.146 119.948 120.400 -0.997 0.000 2.211 157 K HA -0.059 4.315 4.320 0.089 0.000 0.203 157 K C 1.583 177.981 176.600 -0.338 0.000 1.050 157 K CA 1.184 57.127 56.287 -0.572 0.000 0.945 157 K CB -0.188 32.067 32.500 -0.408 0.000 0.732 157 K HN 0.293 nan 8.250 nan 0.000 0.451 158 L N 0.659 121.547 121.223 -0.558 0.000 2.217 158 L HA -0.091 4.303 4.340 0.089 0.000 0.211 158 L C 1.674 178.470 176.870 -0.123 0.000 1.107 158 L CA 1.212 55.789 54.840 -0.438 0.000 0.783 158 L CB -0.205 41.370 42.059 -0.807 0.000 0.919 158 L HN 0.134 nan 8.230 nan 0.000 0.442 159 L N -1.587 119.472 121.223 -0.274 0.000 2.622 159 L HA -0.069 4.324 4.340 0.089 0.000 0.233 159 L C 2.093 178.959 176.870 -0.007 0.000 1.156 159 L CA 0.092 54.833 54.840 -0.164 0.000 0.866 159 L CB -0.362 41.509 42.059 -0.314 0.000 0.980 159 L HN 0.110 nan 8.230 nan 0.000 0.448 160 V N -1.376 118.569 119.914 0.051 0.000 3.541 160 V HA -0.040 4.133 4.120 0.089 0.000 0.267 160 V C 1.195 177.359 176.094 0.115 0.000 1.213 160 V CA 0.079 62.452 62.300 0.120 0.000 1.149 160 V CB -0.509 31.406 31.823 0.153 0.000 0.822 160 V HN 0.384 nan 8.190 nan 0.000 0.462 161 H N 0.820 119.866 119.070 -0.040 0.000 2.652 161 H HA 0.195 4.804 4.556 0.088 0.000 0.349 161 H C -1.584 173.609 175.328 -0.225 0.000 1.099 161 H CA -1.397 54.529 56.048 -0.204 0.000 1.417 161 H CB 2.006 31.515 29.762 -0.422 0.000 1.457 161 H HN 0.140 nan 8.280 nan 0.000 0.568 162 P HA -0.156 nan 4.420 nan 0.000 0.216 162 P C 1.529 178.581 177.300 -0.413 0.000 1.150 162 P CA 1.298 64.093 63.100 -0.509 0.000 0.843 162 P CB 0.236 31.618 31.700 -0.531 0.000 0.787 163 S N -0.547 114.816 115.700 -0.562 0.000 2.387 163 S HA -0.118 4.405 4.470 0.089 0.000 0.230 163 S C 1.582 176.126 174.600 -0.094 0.000 1.035 163 S CA 1.661 59.713 58.200 -0.246 0.000 1.014 163 S CB -1.064 61.940 63.200 -0.327 0.000 0.836 163 S HN 0.149 nan 8.310 nan 0.000 0.466 164 V N -0.763 119.078 119.914 -0.123 0.000 3.421 164 V HA 0.340 4.513 4.120 0.089 0.000 0.316 164 V C 0.407 176.709 176.094 0.345 0.000 1.347 164 V CA -0.455 61.803 62.300 -0.071 0.000 1.183 164 V CB -0.444 31.182 31.823 -0.327 0.000 1.092 164 V HN 0.096 nan 8.190 nan 0.000 0.433 165 S N 3.001 118.817 115.700 0.194 0.000 2.603 165 S HA 0.457 4.981 4.470 0.089 0.000 0.268 165 S C -2.201 172.471 174.600 0.120 0.000 1.317 165 S CA -0.512 57.816 58.200 0.213 0.000 1.012 165 S CB 1.035 64.305 63.200 0.116 0.000 0.926 165 S HN 0.498 nan 8.310 nan 0.000 0.539 166 P HA 0.297 nan 4.420 nan 0.000 0.278 166 P C -1.000 176.377 177.300 0.128 0.000 1.238 166 P CA -0.430 62.564 63.100 -0.177 0.000 0.794 166 P CB 0.637 32.018 31.700 -0.531 0.000 0.955 167 V N -1.242 118.719 119.914 0.078 0.000 2.680 167 V HA 0.628 4.802 4.120 0.089 0.000 0.309 167 V C -2.647 173.331 176.094 -0.195 0.000 1.052 167 V CA -3.048 59.183 62.300 -0.116 0.000 0.908 167 V CB 1.750 33.312 31.823 -0.435 0.000 1.001 167 V HN 0.354 nan 8.190 nan 0.000 0.431 168 P HA 0.247 nan 4.420 nan 0.000 0.280 168 P C 0.373 177.294 177.300 -0.632 0.000 1.386 168 P CA -0.240 62.326 63.100 -0.889 0.000 0.899 168 P CB 1.361 32.418 31.700 -1.071 0.000 1.098 169 K N 3.471 123.502 120.400 -0.615 0.000 2.059 169 K HA -0.219 4.155 4.320 0.089 0.000 0.212 169 K C 1.862 178.164 176.600 -0.496 0.000 1.050 169 K CA 2.503 58.318 56.287 -0.786 0.000 0.927 169 K CB -0.333 31.461 32.500 -1.177 0.000 0.714 169 K HN 0.438 nan 8.250 nan 0.000 0.447 170 S N 0.229 115.686 115.700 -0.405 0.000 2.374 170 S HA -0.182 4.342 4.470 0.089 0.000 0.227 170 S C 2.179 176.672 174.600 -0.179 0.000 1.037 170 S CA 1.227 59.268 58.200 -0.264 0.000 1.024 170 S CB -0.515 62.554 63.200 -0.219 0.000 0.861 170 S HN 0.454 nan 8.310 nan 0.000 0.456 171 A N 1.287 124.019 122.820 -0.147 0.000 1.898 171 A HA 0.209 4.583 4.320 0.089 0.000 0.214 171 A C 2.430 180.064 177.584 0.083 0.000 1.183 171 A CA 1.215 53.333 52.037 0.135 0.000 0.622 171 A CB -0.982 18.156 19.000 0.230 0.000 0.824 171 A HN 0.433 nan 8.150 nan 0.000 0.444 172 V N 0.005 119.727 119.914 -0.320 0.000 2.295 172 V HA -0.249 3.925 4.120 0.089 0.000 0.246 172 V C 2.503 178.529 176.094 -0.114 0.000 1.049 172 V CA 2.444 64.507 62.300 -0.394 0.000 1.024 172 V CB -0.673 30.840 31.823 -0.518 0.000 0.648 172 V HN 0.652 nan 8.190 nan 0.000 0.447 173 E N -0.425 119.683 120.200 -0.153 0.000 2.274 173 E HA -0.139 4.265 4.350 0.089 0.000 0.194 173 E C 2.209 178.714 176.600 -0.159 0.000 0.996 173 E CA 0.863 57.190 56.400 -0.121 0.000 0.840 173 E CB -0.031 29.581 29.700 -0.146 0.000 0.772 173 E HN 0.488 nan 8.360 nan 0.000 0.491 174 K N -1.203 119.042 120.400 -0.259 0.000 2.128 174 K HA 0.018 4.392 4.320 0.089 0.000 0.202 174 K C 0.507 176.703 176.600 -0.673 0.000 1.050 174 K CA 0.711 56.677 56.287 -0.535 0.000 0.966 174 K CB 0.170 32.201 32.500 -0.782 0.000 0.759 174 K HN 0.114 nan 8.250 nan 0.000 0.454 175 F N 0.192 120.188 119.950 0.077 0.000 2.678 175 F HA 0.289 4.869 4.527 0.089 0.000 0.305 175 F C 1.253 177.143 175.800 0.151 0.000 1.090 175 F CA 0.115 58.187 58.000 0.119 0.000 1.272 175 F CB 0.373 39.479 39.000 0.176 0.000 1.060 175 F HN 0.177 nan 8.300 nan 0.000 0.576 176 G N 1.917 110.869 108.800 0.252 0.000 2.614 176 G HA2 -0.434 3.580 3.960 0.089 0.000 0.303 176 G HA3 -0.434 3.580 3.960 0.089 0.000 0.303 176 G C 1.168 176.306 174.900 0.396 0.000 1.270 176 G CA 0.652 45.898 45.100 0.244 0.000 0.988 176 G HN 0.420 nan 8.290 nan 0.000 0.551 177 D N 1.154 121.720 120.400 0.277 0.000 2.351 177 D HA -0.129 4.565 4.640 0.089 0.000 0.216 177 D C 1.707 178.100 176.300 0.155 0.000 0.968 177 D CA 1.623 55.760 54.000 0.227 0.000 0.899 177 D CB -0.244 40.634 40.800 0.130 0.000 0.907 177 D HN 0.809 nan 8.370 nan 0.000 0.514 178 K N 0.601 121.119 120.400 0.197 0.000 2.437 178 K HA 0.074 4.448 4.320 0.089 0.000 0.205 178 K C 1.797 178.464 176.600 0.111 0.000 1.026 178 K CA -0.640 55.706 56.287 0.098 0.000 1.153 178 K CB -0.663 31.882 32.500 0.076 0.000 0.863 178 K HN 0.324 nan 8.250 nan 0.000 0.502 179 W N 2.271 123.656 121.300 0.142 0.000 2.525 179 W HA -0.122 4.590 4.660 0.088 0.000 0.259 179 W C 0.559 177.112 176.519 0.057 0.000 1.253 179 W CA 1.357 58.774 57.345 0.119 0.000 1.262 179 W CB -0.724 28.855 29.460 0.199 0.000 1.122 179 W HN 0.124 nan 8.180 nan 0.000 0.607 180 T N -1.244 112.971 114.554 -0.566 0.000 3.081 180 T HA 0.015 4.418 4.350 0.089 0.000 0.250 180 T C 0.892 175.529 174.700 -0.104 0.000 1.100 180 T CA 0.027 61.801 62.100 -0.542 0.000 1.038 180 T CB -0.138 68.374 68.868 -0.593 0.000 0.962 180 T HN -0.115 nan 8.240 nan 0.000 0.516 181 Q N 2.003 121.755 119.800 -0.080 0.000 2.392 181 Q HA 0.199 4.592 4.340 0.089 0.000 0.262 181 Q C -1.599 174.384 176.000 -0.029 0.000 1.003 181 Q CA -2.230 53.557 55.803 -0.027 0.000 0.888 181 Q CB 0.985 29.664 28.738 -0.098 0.000 1.260 181 Q HN 0.138 nan 8.270 nan 0.000 0.435 182 P HA -0.203 nan 4.420 nan 0.000 0.217 182 P C 0.572 177.857 177.300 -0.026 0.000 1.151 182 P CA 2.109 65.218 63.100 0.015 0.000 0.849 182 P CB 0.172 31.896 31.700 0.039 0.000 0.787 183 A N -1.298 121.482 122.820 -0.067 0.000 2.067 183 A HA -0.088 4.286 4.320 0.089 0.000 0.217 183 A C 1.913 179.396 177.584 -0.168 0.000 1.156 183 A CA 1.286 53.268 52.037 -0.091 0.000 0.683 183 A CB -0.708 18.237 19.000 -0.093 0.000 0.808 183 A HN 0.143 nan 8.150 nan 0.000 0.455 184 N N -1.006 117.536 118.700 -0.263 0.000 2.407 184 N HA 0.172 4.965 4.740 0.089 0.000 0.182 184 N C 0.473 175.933 175.510 -0.084 0.000 1.079 184 N CA -0.173 52.619 53.050 -0.431 0.000 0.882 184 N CB 0.089 38.069 38.487 -0.846 0.000 1.106 184 N HN 0.511 nan 8.380 nan 0.000 0.461 185 I N 1.813 122.389 120.570 0.010 0.000 2.752 185 I HA -0.040 4.184 4.170 0.089 0.000 0.287 185 I C -0.650 175.591 176.117 0.207 0.000 1.188 185 I CA 0.131 61.540 61.300 0.183 0.000 1.427 185 I CB 0.620 38.657 38.000 0.062 0.000 1.365 185 I HN -0.293 nan 8.210 nan 0.000 0.585 186 V N 6.080 126.185 119.914 0.319 0.000 2.531 186 V HA 0.483 4.657 4.120 0.089 0.000 0.301 186 V C -0.093 176.270 176.094 0.448 0.000 1.034 186 V CA -0.433 62.022 62.300 0.259 0.000 0.865 186 V CB 1.836 33.710 31.823 0.084 0.000 0.995 186 V HN 0.874 nan 8.190 nan 0.000 0.424 187 T N 0.181 114.978 114.554 0.404 0.000 2.906 187 T HA 0.474 4.877 4.350 0.089 0.000 0.295 187 T C 0.098 174.982 174.700 0.307 0.000 1.075 187 T CA -0.675 61.576 62.100 0.252 0.000 1.005 187 T CB 2.077 70.797 68.868 -0.246 0.000 1.136 187 T HN 0.634 nan 8.240 nan 0.000 0.498 188 N N -0.152 118.575 118.700 0.045 0.000 2.170 188 N HA 0.230 5.024 4.740 0.089 0.000 0.222 188 N C 0.597 176.096 175.510 -0.019 0.000 1.218 188 N CA -0.331 52.639 53.050 -0.134 0.000 0.889 188 N CB 0.454 38.545 38.487 -0.660 0.000 1.083 188 N HN 0.827 nan 8.380 nan 0.000 0.520 189 G N -0.088 108.634 108.800 -0.130 0.000 2.531 189 G HA2 0.531 4.544 3.960 0.089 0.000 0.281 189 G HA3 0.531 4.544 3.960 0.089 0.000 0.281 189 G C 0.710 175.229 174.900 -0.635 0.000 1.382 189 G CA -0.063 44.867 45.100 -0.283 0.000 1.045 189 G HN 0.205 nan 8.290 nan 0.000 0.533 190 A N -1.786 120.458 122.820 -0.959 0.000 2.168 190 A HA 0.345 4.719 4.320 0.089 0.000 0.215 190 A C 0.265 177.290 177.584 -0.932 0.000 1.152 190 A CA 0.819 52.188 52.037 -1.112 0.000 0.716 190 A CB -0.311 18.080 19.000 -1.014 0.000 0.794 190 A HN 0.444 nan 8.150 nan 0.000 0.465 191 Y N -0.632 119.526 120.300 -0.237 0.000 2.633 191 Y HA 0.533 5.134 4.550 0.085 0.000 0.339 191 Y C 0.170 175.987 175.900 -0.139 0.000 1.045 191 Y CA -1.151 56.866 58.100 -0.138 0.000 1.098 191 Y CB 1.568 39.966 38.460 -0.104 0.000 1.296 191 Y HN 0.156 nan 8.280 nan 0.000 0.494 192 K N 0.603 121.039 120.400 0.060 0.000 2.443 192 K HA 0.634 5.007 4.320 0.089 0.000 0.251 192 K C -1.787 174.820 176.600 0.013 0.000 0.972 192 K CA -1.112 55.173 56.287 -0.003 0.000 0.833 192 K CB 2.306 34.812 32.500 0.009 0.000 1.317 192 K HN 0.515 nan 8.250 nan 0.000 0.441 193 L N 2.395 123.603 121.223 -0.025 0.000 2.418 193 L HA 0.152 4.545 4.340 0.089 0.000 0.274 193 L C 1.094 177.976 176.870 0.021 0.000 1.135 193 L CA 0.670 55.501 54.840 -0.015 0.000 0.870 193 L CB 0.569 42.606 42.059 -0.038 0.000 1.154 193 L HN 0.943 nan 8.230 nan 0.000 0.462 194 K N 3.273 123.693 120.400 0.033 0.000 2.190 194 K HA 0.138 4.511 4.320 0.089 0.000 0.202 194 K C 0.103 176.734 176.600 0.051 0.000 1.045 194 K CA 0.158 56.469 56.287 0.040 0.000 0.976 194 K CB 0.331 32.855 32.500 0.040 0.000 0.849 194 K HN 0.667 nan 8.250 nan 0.000 0.468 195 N N -0.745 117.996 118.700 0.069 0.000 2.308 195 N HA 0.161 4.954 4.740 0.089 0.000 0.283 195 N C -2.455 173.170 175.510 0.191 0.000 1.105 195 N CA -0.570 52.541 53.050 0.103 0.000 0.840 195 N CB 1.455 39.984 38.487 0.071 0.000 1.633 195 N HN 0.132 nan 8.380 nan 0.000 0.476 196 W N 4.708 125.992 121.300 -0.027 0.000 2.631 196 W HA 0.527 5.242 4.660 0.092 0.000 0.321 196 W C -1.875 174.628 176.519 -0.026 0.000 1.004 196 W CA -0.747 56.580 57.345 -0.030 0.000 1.291 196 W CB 0.493 29.925 29.460 -0.047 0.000 1.300 196 W HN 0.173 nan 8.180 nan 0.000 0.422 197 V N 6.985 127.055 119.914 0.260 0.000 2.326 197 V HA 0.233 4.406 4.120 0.089 0.000 0.281 197 V C 0.282 176.427 176.094 0.085 0.000 1.015 197 V CA -1.107 61.228 62.300 0.059 0.000 0.823 197 V CB 1.049 32.903 31.823 0.051 0.000 1.009 197 V HN 0.212 nan 8.190 nan 0.000 0.436 198 V N 5.687 125.548 119.914 -0.088 0.000 2.584 198 V HA -0.005 4.169 4.120 0.089 0.000 0.303 198 V C 1.242 177.359 176.094 0.038 0.000 1.035 198 V CA 0.987 63.276 62.300 -0.017 0.000 1.172 198 V CB -0.788 30.947 31.823 -0.147 0.000 0.896 198 V HN 1.158 nan 8.190 nan 0.000 0.486 199 N N 2.360 121.114 118.700 0.090 0.000 2.800 199 N HA -0.192 4.601 4.740 0.089 0.000 0.250 199 N C 0.842 176.384 175.510 0.053 0.000 1.078 199 N CA 1.128 54.216 53.050 0.063 0.000 0.804 199 N CB -0.422 38.087 38.487 0.036 0.000 1.135 199 N HN 0.880 nan 8.380 nan 0.000 0.565 200 E N -0.467 119.776 120.200 0.072 0.000 3.441 200 E HA 0.203 4.606 4.350 0.089 0.000 0.195 200 E C 0.396 177.037 176.600 0.069 0.000 1.172 200 E CA 0.226 56.658 56.400 0.055 0.000 1.457 200 E CB 0.877 30.603 29.700 0.044 0.000 1.388 200 E HN 0.377 nan 8.360 nan 0.000 0.551 201 R N 0.116 120.680 120.500 0.106 0.000 2.741 201 R HA 0.517 4.911 4.340 0.089 0.000 0.276 201 R C -1.737 174.655 176.300 0.153 0.000 1.028 201 R CA -0.632 55.528 56.100 0.100 0.000 0.865 201 R CB 0.650 30.987 30.300 0.061 0.000 1.268 201 R HN -0.041 nan 8.270 nan 0.000 0.475 202 I N 1.678 122.306 120.570 0.097 0.000 2.478 202 I HA 0.402 4.626 4.170 0.089 0.000 0.287 202 I C -0.913 175.237 176.117 0.055 0.000 1.042 202 I CA -1.162 60.166 61.300 0.047 0.000 1.067 202 I CB 2.401 40.332 38.000 -0.114 0.000 1.233 202 I HN 0.311 nan 8.210 nan 0.000 0.431 203 V N 7.108 127.048 119.914 0.043 0.000 2.448 203 V HA 0.536 4.710 4.120 0.089 0.000 0.295 203 V C -0.165 175.940 176.094 0.019 0.000 1.025 203 V CA -0.554 61.761 62.300 0.024 0.000 0.859 203 V CB 1.886 33.724 31.823 0.024 0.000 0.988 203 V HN 0.468 nan 8.190 nan 0.000 0.431 204 L N 4.630 125.856 121.223 0.005 0.000 2.354 204 L HA 0.774 5.168 4.340 0.089 0.000 0.269 204 L C -0.164 176.758 176.870 0.087 0.000 1.005 204 L CA -0.587 54.270 54.840 0.029 0.000 0.819 204 L CB 2.204 44.252 42.059 -0.020 0.000 1.311 204 L HN 0.824 nan 8.230 nan 0.000 0.423 205 E N 1.320 121.621 120.200 0.168 0.000 2.392 205 E HA 0.458 4.861 4.350 0.089 0.000 0.269 205 E C -0.974 175.776 176.600 0.249 0.000 0.924 205 E CA -1.202 55.317 56.400 0.198 0.000 0.784 205 E CB 1.997 31.755 29.700 0.097 0.000 1.292 205 E HN 0.542 nan 8.360 nan 0.000 0.447 206 R N 1.515 122.100 120.500 0.142 0.000 2.640 206 R HA 0.004 4.397 4.340 0.089 0.000 0.270 206 R C -0.710 175.516 176.300 -0.122 0.000 1.024 206 R CA -0.134 55.872 56.100 -0.157 0.000 1.085 206 R CB 0.280 30.502 30.300 -0.130 0.000 0.963 206 R HN 0.565 nan 8.270 nan 0.000 0.426 207 N N 4.639 123.215 118.700 -0.207 0.000 2.527 207 N HA 0.229 5.023 4.740 0.089 0.000 0.236 207 N C -2.100 173.385 175.510 -0.042 0.000 0.999 207 N CA -2.642 50.354 53.050 -0.089 0.000 0.935 207 N CB 1.644 40.077 38.487 -0.090 0.000 1.132 207 N HN 0.414 nan 8.380 nan 0.000 0.511 208 P HA -0.109 nan 4.420 nan 0.000 0.222 208 P C 0.639 177.962 177.300 0.039 0.000 1.147 208 P CA 1.101 64.208 63.100 0.011 0.000 0.790 208 P CB 0.404 32.113 31.700 0.016 0.000 0.780 209 Q N -1.957 117.883 119.800 0.066 0.000 2.451 209 Q HA -0.034 4.360 4.340 0.089 0.000 0.206 209 Q C 0.471 176.539 176.000 0.113 0.000 0.947 209 Q CA -0.008 55.848 55.803 0.089 0.000 0.937 209 Q CB -0.769 28.040 28.738 0.117 0.000 1.025 209 Q HN 0.349 nan 8.270 nan 0.000 0.511 210 Y N 2.456 122.724 120.300 -0.053 0.000 2.717 210 Y HA -0.183 4.418 4.550 0.085 0.000 0.330 210 Y C 1.339 177.188 175.900 -0.086 0.000 1.217 210 Y CA -0.509 57.528 58.100 -0.105 0.000 1.506 210 Y CB 0.303 38.622 38.460 -0.235 0.000 1.268 210 Y HN 0.255 nan 8.280 nan 0.000 0.561 211 W N 4.274 125.226 121.300 -0.580 0.000 2.350 211 W HA -0.182 4.529 4.660 0.085 0.000 0.289 211 W C 0.156 176.362 176.519 -0.521 0.000 1.215 211 W CA 1.344 58.407 57.345 -0.470 0.000 1.236 211 W CB -0.246 28.996 29.460 -0.363 0.000 1.130 211 W HN 0.539 nan 8.180 nan 0.000 0.541 212 D N 0.598 119.956 120.400 -1.736 0.000 2.463 212 D HA -0.019 4.674 4.640 0.089 0.000 0.224 212 D C 1.462 177.485 176.300 -0.462 0.000 1.174 212 D CA 0.010 53.315 54.000 -1.159 0.000 0.829 212 D CB -0.587 39.131 40.800 -1.804 0.000 0.993 212 D HN 0.002 nan 8.370 nan 0.000 0.497 213 N N 0.503 119.044 118.700 -0.265 0.000 2.184 213 N HA -0.214 4.580 4.740 0.089 0.000 0.190 213 N C 1.623 177.095 175.510 -0.063 0.000 1.011 213 N CA 1.677 54.699 53.050 -0.047 0.000 0.867 213 N CB -0.032 38.440 38.487 -0.026 0.000 0.993 213 N HN 0.154 nan 8.380 nan 0.000 0.433 214 A N -0.161 122.613 122.820 -0.078 0.000 2.125 214 A HA -0.074 4.299 4.320 0.089 0.000 0.219 214 A C 1.821 179.380 177.584 -0.041 0.000 1.156 214 A CA 1.063 53.073 52.037 -0.046 0.000 0.671 214 A CB -0.180 18.800 19.000 -0.033 0.000 0.794 214 A HN 0.246 nan 8.150 nan 0.000 0.459 215 K N -0.213 120.152 120.400 -0.058 0.000 2.367 215 K HA 0.066 4.440 4.320 0.089 0.000 0.194 215 K C -0.136 176.461 176.600 -0.005 0.000 1.027 215 K CA 0.161 56.429 56.287 -0.033 0.000 1.075 215 K CB 0.152 32.625 32.500 -0.045 0.000 0.845 215 K HN 0.318 nan 8.250 nan 0.000 0.529 216 T N 1.125 115.670 114.554 -0.014 0.000 2.901 216 T HA 0.102 4.505 4.350 0.089 0.000 0.301 216 T C 1.453 176.175 174.700 0.036 0.000 1.012 216 T CA -0.100 62.001 62.100 0.002 0.000 1.135 216 T CB 1.725 70.540 68.868 -0.088 0.000 0.936 216 T HN -0.217 nan 8.240 nan 0.000 0.539 217 V N 3.261 123.232 119.914 0.095 0.000 2.743 217 V HA 0.238 4.412 4.120 0.089 0.000 0.237 217 V C 1.027 177.197 176.094 0.128 0.000 1.113 217 V CA 0.266 62.629 62.300 0.106 0.000 1.141 217 V CB 0.025 31.938 31.823 0.149 0.000 0.873 217 V HN 0.753 nan 8.190 nan 0.000 0.486 218 I N 2.440 123.116 120.570 0.178 0.000 2.598 218 I HA 0.033 4.257 4.170 0.089 0.000 0.284 218 I C 1.079 177.335 176.117 0.230 0.000 1.140 218 I CA 0.178 61.585 61.300 0.179 0.000 1.420 218 I CB 0.433 38.523 38.000 0.151 0.000 1.387 218 I HN 0.265 nan 8.210 nan 0.000 0.553 219 N N 4.451 123.245 118.700 0.157 0.000 2.395 219 N HA -0.014 4.780 4.740 0.089 0.000 0.175 219 N C 0.159 175.779 175.510 0.184 0.000 1.029 219 N CA 0.611 53.751 53.050 0.150 0.000 0.897 219 N CB 0.361 38.894 38.487 0.077 0.000 0.991 219 N HN 0.631 nan 8.380 nan 0.000 0.441 220 Q N 0.438 120.308 119.800 0.117 0.000 2.309 220 Q HA 0.435 4.828 4.340 0.089 0.000 0.273 220 Q C -2.115 173.845 176.000 -0.067 0.000 1.040 220 Q CA -0.437 55.392 55.803 0.043 0.000 0.834 220 Q CB 2.593 31.345 28.738 0.023 0.000 1.345 220 Q HN -0.102 nan 8.270 nan 0.000 0.414 221 V N 2.860 122.675 119.914 -0.165 0.000 2.638 221 V HA 0.679 4.853 4.120 0.089 0.000 0.306 221 V C -1.321 174.628 176.094 -0.242 0.000 1.052 221 V CA -0.038 62.093 62.300 -0.282 0.000 0.885 221 V CB 2.363 33.902 31.823 -0.474 0.000 0.999 221 V HN 0.875 nan 8.190 nan 0.000 0.424 222 T N 6.723 121.118 114.554 -0.264 0.000 2.824 222 T HA 0.597 5.001 4.350 0.089 0.000 0.280 222 T C -1.284 173.220 174.700 -0.327 0.000 0.995 222 T CA 0.022 62.012 62.100 -0.185 0.000 1.009 222 T CB 1.029 69.837 68.868 -0.100 0.000 0.955 222 T HN 0.558 nan 8.240 nan 0.000 0.452 223 Y N 2.305 122.543 120.300 -0.104 0.000 2.331 223 Y HA 0.535 5.137 4.550 0.087 0.000 0.338 223 Y C 0.132 175.985 175.900 -0.079 0.000 0.992 223 Y CA -0.895 57.140 58.100 -0.108 0.000 1.121 223 Y CB 0.893 39.266 38.460 -0.146 0.000 1.184 223 Y HN 0.406 nan 8.280 nan 0.000 0.469 224 L N 6.078 127.330 121.223 0.048 0.000 2.352 224 L HA 0.524 4.917 4.340 0.089 0.000 0.269 224 L C -1.977 174.894 176.870 0.002 0.000 1.034 224 L CA -1.940 52.913 54.840 0.022 0.000 0.806 224 L CB 1.865 43.924 42.059 -0.001 0.000 1.244 224 L HN 0.429 nan 8.230 nan 0.000 0.447 225 P HA 0.284 nan 4.420 nan 0.000 0.269 225 P C -0.457 176.806 177.300 -0.062 0.000 1.857 225 P CA -0.113 62.959 63.100 -0.046 0.000 1.213 225 P CB -0.016 31.689 31.700 0.010 0.000 1.702 226 I N 1.015 121.547 120.570 -0.064 0.000 2.379 226 I HA 0.068 4.292 4.170 0.089 0.000 0.290 226 I C 1.605 177.675 176.117 -0.078 0.000 1.063 226 I CA 0.093 61.365 61.300 -0.047 0.000 1.351 226 I CB 0.869 38.859 38.000 -0.017 0.000 1.410 226 I HN 0.002 nan 8.210 nan 0.000 0.505 227 S N 2.235 117.897 115.700 -0.063 0.000 2.548 227 S HA 0.027 4.550 4.470 0.089 0.000 0.215 227 S C 0.888 175.474 174.600 -0.023 0.000 0.976 227 S CA -0.402 57.758 58.200 -0.067 0.000 0.908 227 S CB 0.136 63.306 63.200 -0.050 0.000 0.781 227 S HN 0.580 nan 8.310 nan 0.000 0.519 228 S N 1.185 116.879 115.700 -0.010 0.000 2.416 228 S HA 0.292 4.816 4.470 0.089 0.000 0.287 228 S C 0.657 175.257 174.600 -0.001 0.000 1.139 228 S CA -0.531 57.669 58.200 -0.001 0.000 1.058 228 S CB 0.733 63.936 63.200 0.005 0.000 0.967 228 S HN 0.376 nan 8.310 nan 0.000 0.495 229 E N 3.410 123.605 120.200 -0.008 0.000 2.204 229 E HA -0.079 4.324 4.350 0.089 0.000 0.195 229 E C 1.819 178.419 176.600 -0.000 0.000 0.990 229 E CA 0.909 57.308 56.400 -0.003 0.000 0.821 229 E CB -0.082 29.600 29.700 -0.029 0.000 0.750 229 E HN 0.564 nan 8.360 nan 0.000 0.477 230 V N 0.477 120.390 119.914 -0.001 0.000 2.358 230 V HA -0.240 3.934 4.120 0.089 0.000 0.246 230 V C 2.056 178.159 176.094 0.015 0.000 1.047 230 V CA 2.126 64.430 62.300 0.006 0.000 1.035 230 V CB -0.523 31.302 31.823 0.003 0.000 0.658 230 V HN 0.349 nan 8.190 nan 0.000 0.452 231 T N -0.639 113.923 114.554 0.015 0.000 2.821 231 T HA -0.180 4.223 4.350 0.089 0.000 0.267 231 T C 1.761 176.479 174.700 0.031 0.000 1.046 231 T CA 1.558 63.670 62.100 0.020 0.000 1.139 231 T CB -0.330 68.547 68.868 0.015 0.000 0.871 231 T HN 0.510 nan 8.240 nan 0.000 0.454 232 D N 1.038 121.455 120.400 0.028 0.000 2.117 232 D HA -0.082 4.612 4.640 0.089 0.000 0.197 232 D C 2.109 178.448 176.300 0.064 0.000 0.987 232 D CA 0.723 54.748 54.000 0.042 0.000 0.829 232 D CB -0.366 40.455 40.800 0.035 0.000 0.961 232 D HN 0.188 nan 8.370 nan 0.000 0.460 233 V N 0.983 120.921 119.914 0.039 0.000 2.358 233 V HA -0.207 3.966 4.120 0.089 0.000 0.246 233 V C 2.249 178.406 176.094 0.105 0.000 1.047 233 V CA 1.644 63.972 62.300 0.046 0.000 1.035 233 V CB -0.620 31.206 31.823 0.005 0.000 0.658 233 V HN 0.222 nan 8.190 nan 0.000 0.452 234 N N 0.531 119.272 118.700 0.069 0.000 2.084 234 N HA -0.146 4.647 4.740 0.089 0.000 0.190 234 N C 1.953 177.507 175.510 0.073 0.000 1.030 234 N CA 1.454 54.541 53.050 0.062 0.000 0.849 234 N CB -0.376 38.134 38.487 0.038 0.000 1.012 234 N HN 0.466 nan 8.380 nan 0.000 0.423 235 R N -0.601 119.942 120.500 0.072 0.000 2.148 235 R HA -0.087 4.306 4.340 0.089 0.000 0.227 235 R C 1.944 178.295 176.300 0.085 0.000 1.103 235 R CA 0.586 56.723 56.100 0.062 0.000 0.983 235 R CB -0.331 29.998 30.300 0.047 0.000 0.874 235 R HN 0.367 nan 8.270 nan 0.000 0.451 236 Y N 1.646 121.942 120.300 -0.008 0.000 2.133 236 Y HA -0.156 4.446 4.550 0.087 0.000 0.287 236 Y C 2.089 177.986 175.900 -0.005 0.000 1.134 236 Y CA 1.460 59.550 58.100 -0.017 0.000 1.133 236 Y CB 0.048 38.484 38.460 -0.040 0.000 0.987 236 Y HN -0.186 nan 8.280 nan 0.000 0.502 237 R N -0.088 120.514 120.500 0.170 0.000 2.189 237 R HA -0.077 4.317 4.340 0.089 0.000 0.218 237 R C 2.312 178.614 176.300 0.003 0.000 1.074 237 R CA 1.126 57.267 56.100 0.068 0.000 0.991 237 R CB -0.396 29.981 30.300 0.128 0.000 0.883 237 R HN 0.481 nan 8.270 nan 0.000 0.457 238 S N -0.894 114.813 115.700 0.012 0.000 2.562 238 S HA 0.076 4.600 4.470 0.089 0.000 0.221 238 S C 1.389 175.984 174.600 -0.008 0.000 0.975 238 S CA 0.588 58.792 58.200 0.006 0.000 0.918 238 S CB 0.593 63.801 63.200 0.014 0.000 0.772 238 S HN 0.474 nan 8.310 nan 0.000 0.531 239 G N 0.959 109.734 108.800 -0.042 0.000 2.179 239 G HA2 -0.255 3.758 3.960 0.089 0.000 0.220 239 G HA3 -0.255 3.758 3.960 0.089 0.000 0.220 239 G C 0.522 175.417 174.900 -0.007 0.000 0.990 239 G CA 0.366 45.453 45.100 -0.022 0.000 0.646 239 G HN 0.551 nan 8.290 nan 0.000 0.517 240 E N -0.377 119.815 120.200 -0.014 0.000 2.190 240 E HA 0.227 4.630 4.350 0.089 0.000 0.191 240 E C 0.824 177.424 176.600 -0.001 0.000 0.978 240 E CA 0.101 56.500 56.400 -0.001 0.000 0.839 240 E CB 0.076 29.779 29.700 0.005 0.000 0.787 240 E HN 0.574 nan 8.360 nan 0.000 0.473 241 I N 1.897 122.464 120.570 -0.005 0.000 2.354 241 I HA 0.094 4.317 4.170 0.089 0.000 0.292 241 I C 0.181 176.290 176.117 -0.014 0.000 0.989 241 I CA -0.578 60.736 61.300 0.023 0.000 1.188 241 I CB 1.665 39.721 38.000 0.093 0.000 1.342 241 I HN -0.023 nan 8.210 nan 0.000 0.457 242 D N 5.784 126.185 120.400 0.000 0.000 2.271 242 D HA 0.141 4.834 4.640 0.089 0.000 0.206 242 D C 0.231 176.552 176.300 0.036 0.000 0.967 242 D CA 1.274 55.251 54.000 -0.039 0.000 0.867 242 D CB 0.572 41.376 40.800 0.007 0.000 0.960 242 D HN 0.414 nan 8.370 nan 0.000 0.509 243 M N 0.701 120.327 119.600 0.043 0.000 2.224 243 M HA 0.152 4.686 4.480 0.089 0.000 0.281 243 M C -0.200 176.091 176.300 -0.015 0.000 1.025 243 M CA -0.481 54.806 55.300 -0.020 0.000 0.954 243 M CB 2.677 35.173 32.600 -0.175 0.000 1.639 243 M HN -0.226 nan 8.290 nan 0.000 0.461 244 T N -0.631 113.885 114.554 -0.064 0.000 2.726 244 T HA 0.305 4.709 4.350 0.089 0.000 0.294 244 T C -0.202 174.489 174.700 -0.016 0.000 1.013 244 T CA -0.252 61.820 62.100 -0.046 0.000 0.996 244 T CB 0.940 69.728 68.868 -0.133 0.000 1.016 244 T HN 0.480 nan 8.240 nan 0.000 0.529 245 Y N 1.761 122.006 120.300 -0.092 0.000 2.281 245 Y HA 0.267 4.871 4.550 0.091 0.000 0.337 245 Y C 1.041 176.891 175.900 -0.084 0.000 1.304 245 Y CA -1.132 56.917 58.100 -0.084 0.000 1.465 245 Y CB 0.473 38.889 38.460 -0.074 0.000 1.350 245 Y HN 0.805 nan 8.280 nan 0.000 0.575 246 N N 2.090 120.251 118.700 -0.899 0.000 2.920 246 N HA 0.124 4.918 4.740 0.089 0.000 0.310 246 N C -1.711 173.559 175.510 -0.400 0.000 1.384 246 N CA -0.237 52.499 53.050 -0.523 0.000 1.083 246 N CB -0.726 37.482 38.487 -0.464 0.000 1.389 246 N HN 0.339 nan 8.380 nan 0.000 0.521 247 N N 0.821 119.387 118.700 -0.224 0.000 2.399 247 N HA 0.325 5.119 4.740 0.089 0.000 0.280 247 N C -0.745 174.722 175.510 -0.072 0.000 1.008 247 N CA -0.287 52.733 53.050 -0.050 0.000 0.894 247 N CB 1.387 39.921 38.487 0.078 0.000 1.273 247 N HN 0.172 nan 8.380 nan 0.000 0.486 248 M N 2.650 122.172 119.600 -0.130 0.000 2.404 248 M HA 0.459 4.992 4.480 0.089 0.000 0.338 248 M C -2.305 173.921 176.300 -0.123 0.000 1.150 248 M CA -2.272 52.956 55.300 -0.119 0.000 1.016 248 M CB 1.601 34.077 32.600 -0.206 0.000 1.672 248 M HN 0.179 nan 8.290 nan 0.000 0.448 249 P HA 0.242 nan 4.420 nan 0.000 0.280 249 P C 0.656 177.937 177.300 -0.032 0.000 1.244 249 P CA -0.135 62.938 63.100 -0.045 0.000 0.784 249 P CB 1.024 32.716 31.700 -0.014 0.000 0.913 250 I N 2.057 122.588 120.570 -0.065 0.000 2.361 250 I HA -0.264 3.959 4.170 0.089 0.000 0.251 250 I C 2.109 178.225 176.117 -0.001 0.000 1.133 250 I CA 1.550 62.821 61.300 -0.049 0.000 1.413 250 I CB -0.324 37.629 38.000 -0.077 0.000 1.073 250 I HN 0.414 nan 8.210 nan 0.000 0.424 251 E N 0.581 120.777 120.200 -0.006 0.000 2.085 251 E HA -0.195 4.209 4.350 0.089 0.000 0.194 251 E C 1.922 178.532 176.600 0.017 0.000 0.994 251 E CA 1.266 57.667 56.400 0.002 0.000 0.801 251 E CB -0.031 29.666 29.700 -0.005 0.000 0.743 251 E HN 0.491 nan 8.360 nan 0.000 0.453 252 L N -0.871 120.373 121.223 0.034 0.000 2.638 252 L HA 0.155 4.549 4.340 0.089 0.000 0.232 252 L C 1.761 178.663 176.870 0.052 0.000 1.099 252 L CA -0.378 54.480 54.840 0.030 0.000 0.883 252 L CB 0.017 42.087 42.059 0.019 0.000 1.136 252 L HN 0.058 nan 8.230 nan 0.000 0.492 253 F N 1.931 121.840 119.950 -0.069 0.000 2.065 253 F HA -0.299 4.279 4.527 0.087 0.000 0.298 253 F C 2.678 178.436 175.800 -0.069 0.000 1.112 253 F CA 1.874 59.828 58.000 -0.078 0.000 1.212 253 F CB -0.015 38.931 39.000 -0.090 0.000 0.975 253 F HN 0.079 nan 8.300 nan 0.000 0.476 254 Q N 0.620 120.401 119.800 -0.032 0.000 2.135 254 Q HA -0.245 4.148 4.340 0.089 0.000 0.204 254 Q C 2.243 178.136 176.000 -0.178 0.000 0.981 254 Q CA 1.937 57.655 55.803 -0.141 0.000 0.856 254 Q CB -0.754 27.968 28.738 -0.027 0.000 0.902 254 Q HN 0.586 nan 8.270 nan 0.000 0.425 255 K N 0.688 121.013 120.400 -0.124 0.000 2.155 255 K HA -0.068 4.306 4.320 0.089 0.000 0.203 255 K C 2.034 178.550 176.600 -0.139 0.000 1.052 255 K CA 0.637 56.862 56.287 -0.103 0.000 0.948 255 K CB -0.054 32.412 32.500 -0.057 0.000 0.728 255 K HN 0.144 nan 8.250 nan 0.000 0.448 256 L N 0.972 122.077 121.223 -0.197 0.000 2.156 256 L HA -0.056 4.338 4.340 0.089 0.000 0.208 256 L C 2.656 179.370 176.870 -0.259 0.000 1.095 256 L CA 1.018 55.735 54.840 -0.205 0.000 0.770 256 L CB -0.294 41.631 42.059 -0.223 0.000 0.914 256 L HN 0.185 nan 8.230 nan 0.000 0.439 257 K N 0.148 120.314 120.400 -0.390 0.000 2.147 257 K HA -0.202 4.172 4.320 0.089 0.000 0.205 257 K C 2.064 178.543 176.600 -0.201 0.000 1.049 257 K CA 1.269 57.347 56.287 -0.348 0.000 0.936 257 K CB 0.193 32.428 32.500 -0.442 0.000 0.722 257 K HN 0.017 nan 8.250 nan 0.000 0.446 258 K N 0.592 120.892 120.400 -0.166 0.000 2.044 258 K HA -0.033 4.340 4.320 0.089 0.000 0.204 258 K C 1.751 178.300 176.600 -0.086 0.000 1.049 258 K CA 1.288 57.510 56.287 -0.108 0.000 0.945 258 K CB 0.124 32.570 32.500 -0.090 0.000 0.724 258 K HN 0.186 nan 8.250 nan 0.000 0.440 259 E N -0.050 120.098 120.200 -0.088 0.000 2.122 259 E HA 0.049 4.453 4.350 0.089 0.000 0.190 259 E C 0.365 176.932 176.600 -0.054 0.000 0.977 259 E CA 0.889 57.253 56.400 -0.060 0.000 0.820 259 E CB 0.289 29.961 29.700 -0.047 0.000 0.770 259 E HN 0.349 nan 8.360 nan 0.000 0.462 260 I N -2.163 118.364 120.570 -0.072 0.000 2.948 260 I HA 0.248 4.471 4.170 0.089 0.000 0.308 260 I C -2.285 173.780 176.117 -0.086 0.000 1.478 260 I CA -1.646 59.620 61.300 -0.057 0.000 0.843 260 I CB 1.237 39.223 38.000 -0.024 0.000 2.100 260 I HN -0.224 nan 8.210 nan 0.000 0.625 261 P HA -0.149 nan 4.420 nan 0.000 0.218 261 P C 0.921 178.169 177.300 -0.086 0.000 1.148 261 P CA 1.453 64.491 63.100 -0.104 0.000 0.822 261 P CB 0.238 31.884 31.700 -0.090 0.000 0.784 262 N N -0.118 118.542 118.700 -0.068 0.000 2.381 262 N HA -0.096 4.698 4.740 0.089 0.000 0.182 262 N C 1.632 177.101 175.510 -0.069 0.000 1.025 262 N CA 0.899 53.913 53.050 -0.060 0.000 0.888 262 N CB -0.259 38.199 38.487 -0.049 0.000 0.965 262 N HN 0.318 nan 8.380 nan 0.000 0.438 263 E N -0.790 119.365 120.200 -0.074 0.000 2.400 263 E HA 0.076 4.479 4.350 0.089 0.000 0.195 263 E C -0.383 176.154 176.600 -0.106 0.000 1.012 263 E CA 0.106 56.460 56.400 -0.077 0.000 0.875 263 E CB 0.710 30.394 29.700 -0.027 0.000 0.859 263 E HN 0.019 nan 8.360 nan 0.000 0.498 264 V N 3.659 123.506 119.914 -0.111 0.000 2.372 264 V HA 0.133 4.306 4.120 0.089 0.000 0.261 264 V C 0.070 176.126 176.094 -0.064 0.000 1.055 264 V CA -0.311 61.924 62.300 -0.108 0.000 0.930 264 V CB 0.443 32.170 31.823 -0.161 0.000 1.031 264 V HN 0.104 nan 8.190 nan 0.000 0.479 265 R N 4.133 124.608 120.500 -0.042 0.000 2.255 265 R HA 0.629 5.022 4.340 0.089 0.000 0.326 265 R C -0.983 175.305 176.300 -0.020 0.000 0.986 265 R CA -0.528 55.553 56.100 -0.032 0.000 0.847 265 R CB 1.692 31.994 30.300 0.004 0.000 1.111 265 R HN 0.436 nan 8.270 nan 0.000 0.452 266 V N 4.228 124.124 119.914 -0.029 0.000 2.488 266 V HA 0.355 4.529 4.120 0.089 0.000 0.293 266 V C -0.491 175.575 176.094 -0.048 0.000 1.027 266 V CA -0.716 61.575 62.300 -0.015 0.000 0.862 266 V CB 1.951 33.798 31.823 0.039 0.000 1.008 266 V HN 0.692 nan 8.190 nan 0.000 0.428 267 D N 4.664 125.023 120.400 -0.067 0.000 2.559 267 D HA 0.479 5.173 4.640 0.089 0.000 0.250 267 D C -2.946 173.333 176.300 -0.036 0.000 1.135 267 D CA -1.525 52.430 54.000 -0.076 0.000 0.955 267 D CB 2.809 43.534 40.800 -0.124 0.000 1.442 267 D HN 0.205 nan 8.370 nan 0.000 0.471 268 P HA 0.089 nan 4.420 nan 0.000 0.268 268 P C -1.019 176.383 177.300 0.170 0.000 1.205 268 P CA 0.145 63.243 63.100 -0.004 0.000 0.771 268 P CB 0.244 31.868 31.700 -0.127 0.000 0.858 269 Y N 2.110 122.481 120.300 0.119 0.000 2.433 269 Y HA 0.342 4.946 4.550 0.090 0.000 0.337 269 Y C -0.790 175.292 175.900 0.302 0.000 1.026 269 Y CA -1.399 56.798 58.100 0.162 0.000 1.037 269 Y CB 1.462 39.998 38.460 0.127 0.000 1.245 269 Y HN 0.165 nan 8.280 nan 0.000 0.443 270 L N 6.090 127.451 121.223 0.231 0.000 2.423 270 L HA 0.326 4.720 4.340 0.089 0.000 0.249 270 L C -0.913 175.921 176.870 -0.059 0.000 1.276 270 L CA 0.193 55.066 54.840 0.055 0.000 1.199 270 L CB -0.651 41.434 42.059 0.042 0.000 1.407 270 L HN 0.550 nan 8.230 nan 0.000 0.410 271 c N -0.347 118.202 118.600 -0.085 0.000 2.994 271 c HA 0.681 5.304 4.570 0.089 0.000 0.305 271 c C 0.234 174.513 174.090 0.314 0.000 1.251 271 c CA -0.686 55.588 56.329 -0.091 0.000 1.478 271 c CB 2.266 44.262 42.510 -0.857 0.000 1.922 271 c HN 0.471 nan 8.230 nan 0.000 0.472 272 T N 1.179 116.005 114.554 0.454 0.000 2.848 272 T HA 0.423 4.826 4.350 0.089 0.000 0.285 272 T C -1.254 173.775 174.700 0.547 0.000 0.995 272 T CA -0.214 62.175 62.100 0.481 0.000 0.970 272 T CB 0.904 69.988 68.868 0.360 0.000 0.976 272 T HN 0.548 nan 8.240 nan 0.000 0.441 273 Y N 4.468 124.783 120.300 0.025 0.000 2.313 273 Y HA 0.556 5.159 4.550 0.088 0.000 0.332 273 Y C -0.629 175.179 175.900 -0.153 0.000 1.071 273 Y CA -0.329 57.586 58.100 -0.309 0.000 1.169 273 Y CB 0.467 38.060 38.460 -1.446 0.000 1.192 273 Y HN 0.731 nan 8.280 nan 0.000 0.487 274 Y N 2.238 122.310 120.300 -0.380 0.000 2.689 274 Y HA 0.542 5.145 4.550 0.088 0.000 0.333 274 Y C -2.484 173.103 175.900 -0.522 0.000 1.208 274 Y CA -2.267 55.667 58.100 -0.276 0.000 1.055 274 Y CB 0.577 38.993 38.460 -0.073 0.000 1.304 274 Y HN 0.407 nan 8.280 nan 0.000 0.455 275 Y N 1.322 121.701 120.300 0.132 0.000 2.335 275 Y HA 0.363 4.967 4.550 0.090 0.000 0.339 275 Y C 0.176 176.145 175.900 0.115 0.000 0.987 275 Y CA -0.759 57.379 58.100 0.064 0.000 1.140 275 Y CB 1.560 40.159 38.460 0.233 0.000 1.173 275 Y HN 0.672 nan 8.280 nan 0.000 0.486 276 E N 4.359 124.607 120.200 0.080 0.000 2.223 276 E HA 0.346 4.750 4.350 0.089 0.000 0.282 276 E C -0.985 175.732 176.600 0.195 0.000 1.046 276 E CA -0.276 56.211 56.400 0.145 0.000 0.857 276 E CB 0.576 30.269 29.700 -0.012 0.000 1.055 276 E HN 0.593 nan 8.360 nan 0.000 0.409 277 I N 4.181 124.802 120.570 0.086 0.000 2.353 277 I HA 0.101 4.324 4.170 0.089 0.000 0.293 277 I C 0.358 176.398 176.117 -0.129 0.000 0.992 277 I CA -0.769 60.468 61.300 -0.105 0.000 1.268 277 I CB 1.153 39.070 38.000 -0.137 0.000 1.387 277 I HN 0.458 nan 8.210 nan 0.000 0.478 278 N N 6.095 124.534 118.700 -0.436 0.000 2.402 278 N HA 0.043 4.837 4.740 0.089 0.000 0.259 278 N C 0.590 175.987 175.510 -0.187 0.000 1.167 278 N CA 0.416 53.162 53.050 -0.507 0.000 0.949 278 N CB 0.153 37.995 38.487 -1.074 0.000 1.212 278 N HN 0.534 nan 8.380 nan 0.000 0.493 279 N N 1.759 120.441 118.700 -0.030 0.000 2.453 279 N HA -0.098 4.695 4.740 0.089 0.000 0.183 279 N C 0.313 175.832 175.510 0.016 0.000 1.041 279 N CA 0.722 53.792 53.050 0.033 0.000 0.900 279 N CB 0.360 38.909 38.487 0.103 0.000 0.961 279 N HN 0.619 nan 8.380 nan 0.000 0.443 280 Q N 0.628 120.413 119.800 -0.025 0.000 2.360 280 Q HA 0.078 4.472 4.340 0.089 0.000 0.202 280 Q C 0.250 176.213 176.000 -0.062 0.000 0.915 280 Q CA 0.333 56.109 55.803 -0.046 0.000 0.943 280 Q CB 0.321 29.020 28.738 -0.064 0.000 1.064 280 Q HN 0.220 nan 8.270 nan 0.000 0.511 281 K N 0.813 121.184 120.400 -0.048 0.000 2.265 281 K HA 0.504 4.877 4.320 0.089 0.000 0.267 281 K C -0.829 175.807 176.600 0.060 0.000 0.994 281 K CA -0.326 55.956 56.287 -0.009 0.000 0.860 281 K CB 1.211 33.679 32.500 -0.053 0.000 1.099 281 K HN -0.045 nan 8.250 nan 0.000 0.448 282 A N 4.994 127.798 122.820 -0.027 0.000 2.498 282 A HA 0.229 4.603 4.320 0.089 0.000 0.239 282 A C -1.704 175.750 177.584 -0.218 0.000 1.068 282 A CA -0.995 50.976 52.037 -0.111 0.000 0.766 282 A CB -0.111 18.846 19.000 -0.072 0.000 1.003 282 A HN 0.801 nan 8.150 nan 0.000 0.497 283 P HA 0.146 nan 4.420 nan 0.000 0.258 283 P C 0.126 177.051 177.300 -0.625 0.000 1.416 283 P CA 0.191 63.017 63.100 -0.455 0.000 0.927 283 P CB -0.050 31.456 31.700 -0.323 0.000 1.444 284 F N 1.682 121.543 119.950 -0.149 0.000 2.748 284 F HA -0.026 4.555 4.527 0.090 0.000 0.299 284 F C 1.879 177.607 175.800 -0.121 0.000 1.154 284 F CA 0.517 58.409 58.000 -0.179 0.000 1.446 284 F CB -0.993 37.868 39.000 -0.231 0.000 1.112 284 F HN 0.068 nan 8.300 nan 0.000 0.584 285 N N -0.556 118.138 118.700 -0.011 0.000 2.461 285 N HA -0.095 4.699 4.740 0.089 0.000 0.188 285 N C -0.302 175.195 175.510 -0.023 0.000 1.134 285 N CA 0.357 53.403 53.050 -0.007 0.000 0.878 285 N CB -0.414 38.061 38.487 -0.021 0.000 0.972 285 N HN 0.144 nan 8.380 nan 0.000 0.456 286 D N 0.417 120.790 120.400 -0.046 0.000 2.303 286 D HA 0.060 4.754 4.640 0.089 0.000 0.236 286 D C 0.829 177.113 176.300 -0.026 0.000 1.068 286 D CA -0.644 53.333 54.000 -0.037 0.000 0.830 286 D CB 2.266 43.038 40.800 -0.047 0.000 1.109 286 D HN -0.180 nan 8.370 nan 0.000 0.496 287 V N 5.287 125.197 119.914 -0.007 0.000 2.568 287 V HA -0.236 3.938 4.120 0.089 0.000 0.253 287 V C 1.994 178.080 176.094 -0.014 0.000 1.072 287 V CA 1.881 64.180 62.300 -0.002 0.000 1.084 287 V CB -0.181 31.650 31.823 0.015 0.000 0.676 287 V HN 0.473 nan 8.190 nan 0.000 0.469 288 R N -0.779 119.714 120.500 -0.013 0.000 2.090 288 R HA -0.032 4.361 4.340 0.089 0.000 0.228 288 R C 2.110 178.389 176.300 -0.034 0.000 1.110 288 R CA 1.478 57.572 56.100 -0.010 0.000 0.973 288 R CB -0.660 29.644 30.300 0.006 0.000 0.869 288 R HN 0.468 nan 8.270 nan 0.000 0.440 289 V N 1.069 120.951 119.914 -0.053 0.000 2.261 289 V HA -0.253 3.921 4.120 0.089 0.000 0.246 289 V C 2.194 178.214 176.094 -0.124 0.000 1.047 289 V CA 1.858 64.087 62.300 -0.119 0.000 1.015 289 V CB -0.424 31.275 31.823 -0.207 0.000 0.642 289 V HN 0.285 nan 8.190 nan 0.000 0.446 290 R N -0.159 120.298 120.500 -0.071 0.000 2.096 290 R HA -0.136 4.258 4.340 0.089 0.000 0.235 290 R C 2.328 178.571 176.300 -0.094 0.000 1.127 290 R CA 1.887 57.947 56.100 -0.067 0.000 0.968 290 R CB -0.852 29.431 30.300 -0.028 0.000 0.861 290 R HN 0.503 nan 8.270 nan 0.000 0.440 291 T N 1.064 115.568 114.554 -0.084 0.000 2.821 291 T HA -0.097 4.306 4.350 0.089 0.000 0.267 291 T C 1.999 176.634 174.700 -0.108 0.000 1.046 291 T CA 1.311 63.347 62.100 -0.107 0.000 1.139 291 T CB -0.177 68.651 68.868 -0.066 0.000 0.871 291 T HN 0.379 nan 8.240 nan 0.000 0.454 292 A N 1.390 124.157 122.820 -0.088 0.000 1.902 292 A HA 0.021 4.394 4.320 0.089 0.000 0.217 292 A C 2.300 179.819 177.584 -0.109 0.000 1.181 292 A CA 1.133 53.124 52.037 -0.078 0.000 0.623 292 A CB -0.823 18.127 19.000 -0.082 0.000 0.818 292 A HN 0.467 nan 8.150 nan 0.000 0.443 293 L N -0.664 120.434 121.223 -0.209 0.000 2.046 293 L HA -0.213 4.180 4.340 0.089 0.000 0.208 293 L C 2.661 179.603 176.870 0.121 0.000 1.077 293 L CA 2.002 56.669 54.840 -0.289 0.000 0.747 293 L CB -0.499 41.258 42.059 -0.502 0.000 0.896 293 L HN 0.487 nan 8.230 nan 0.000 0.432 294 K N 0.714 121.116 120.400 0.003 0.000 2.009 294 K HA -0.189 4.185 4.320 0.089 0.000 0.210 294 K C 2.160 178.695 176.600 -0.109 0.000 1.049 294 K CA 1.420 57.685 56.287 -0.037 0.000 0.929 294 K CB -0.085 32.283 32.500 -0.220 0.000 0.714 294 K HN 0.211 nan 8.250 nan 0.000 0.440 295 L N 0.299 121.424 121.223 -0.164 0.000 2.056 295 L HA -0.100 4.293 4.340 0.089 0.000 0.207 295 L C 2.570 179.504 176.870 0.106 0.000 1.078 295 L CA 1.116 55.898 54.840 -0.095 0.000 0.749 295 L CB -0.493 41.546 42.059 -0.033 0.000 0.901 295 L HN 0.288 nan 8.230 nan 0.000 0.433 296 A N -0.262 122.662 122.820 0.173 0.000 2.121 296 A HA -0.074 4.299 4.320 0.089 0.000 0.218 296 A C 1.211 178.990 177.584 0.325 0.000 1.154 296 A CA 0.313 52.505 52.037 0.257 0.000 0.679 296 A CB -0.531 18.622 19.000 0.255 0.000 0.795 296 A HN 0.279 nan 8.150 nan 0.000 0.458 297 L N 1.041 122.483 121.223 0.365 0.000 2.418 297 L HA 0.098 4.492 4.340 0.089 0.000 0.274 297 L C -0.322 176.629 176.870 0.135 0.000 1.135 297 L CA -0.167 54.782 54.840 0.181 0.000 0.870 297 L CB 0.456 42.637 42.059 0.203 0.000 1.154 297 L HN 0.134 nan 8.230 nan 0.000 0.462 298 D N 4.863 125.305 120.400 0.070 0.000 2.441 298 D HA 0.115 4.809 4.640 0.089 0.000 0.221 298 D C 1.037 177.378 176.300 0.069 0.000 1.156 298 D CA -0.149 53.898 54.000 0.079 0.000 0.896 298 D CB 0.717 41.547 40.800 0.050 0.000 1.028 298 D HN 0.532 nan 8.370 nan 0.000 0.509 299 R N 2.087 122.659 120.500 0.122 0.000 2.148 299 R HA -0.092 4.301 4.340 0.089 0.000 0.227 299 R C 0.835 177.182 176.300 0.078 0.000 1.103 299 R CA 1.246 57.422 56.100 0.127 0.000 0.983 299 R CB 0.204 30.638 30.300 0.222 0.000 0.874 299 R HN 0.388 nan 8.270 nan 0.000 0.451 300 D N 0.457 120.891 120.400 0.056 0.000 2.149 300 D HA -0.076 4.617 4.640 0.089 0.000 0.201 300 D C 1.641 177.946 176.300 0.009 0.000 0.972 300 D CA 0.828 54.844 54.000 0.028 0.000 0.835 300 D CB 0.036 40.846 40.800 0.017 0.000 0.966 300 D HN 0.145 nan 8.370 nan 0.000 0.476 301 I N 0.352 120.927 120.570 0.008 0.000 2.133 301 I HA -0.204 4.019 4.170 0.089 0.000 0.238 301 I C 2.088 178.189 176.117 -0.026 0.000 1.074 301 I CA 0.892 62.186 61.300 -0.010 0.000 1.342 301 I CB -0.111 37.884 38.000 -0.009 0.000 1.053 301 I HN -0.023 nan 8.210 nan 0.000 0.404 302 I N -0.107 120.449 120.570 -0.024 0.000 2.163 302 I HA -0.294 3.930 4.170 0.089 0.000 0.243 302 I C 2.395 178.467 176.117 -0.074 0.000 1.085 302 I CA 1.417 62.691 61.300 -0.043 0.000 1.347 302 I CB -0.325 37.665 38.000 -0.017 0.000 1.044 302 I HN 0.020 nan 8.210 nan 0.000 0.408 303 V N 0.585 120.464 119.914 -0.057 0.000 2.323 303 V HA -0.170 4.004 4.120 0.089 0.000 0.244 303 V C 1.864 177.882 176.094 -0.127 0.000 1.041 303 V CA 1.792 64.016 62.300 -0.127 0.000 1.025 303 V CB -0.625 31.159 31.823 -0.066 0.000 0.656 303 V HN 0.436 nan 8.190 nan 0.000 0.451 304 N N -0.202 118.458 118.700 -0.066 0.000 2.415 304 N HA 0.039 4.833 4.740 0.089 0.000 0.174 304 N C 1.540 177.023 175.510 -0.045 0.000 1.048 304 N CA 0.578 53.597 53.050 -0.051 0.000 0.895 304 N CB 0.282 38.756 38.487 -0.021 0.000 1.036 304 N HN 0.453 nan 8.380 nan 0.000 0.449 305 K N -0.382 119.992 120.400 -0.043 0.000 2.373 305 K HA 0.282 4.655 4.320 0.089 0.000 0.200 305 K C 1.077 177.649 176.600 -0.046 0.000 1.054 305 K CA 0.021 56.286 56.287 -0.036 0.000 1.065 305 K CB 1.455 33.940 32.500 -0.024 0.000 0.886 305 K HN -0.130 nan 8.250 nan 0.000 0.546 306 V N 0.103 119.978 119.914 -0.066 0.000 3.054 306 V HA 0.035 4.209 4.120 0.089 0.000 0.227 306 V C 1.804 177.835 176.094 -0.106 0.000 1.252 306 V CA 0.576 62.831 62.300 -0.075 0.000 1.279 306 V CB 0.404 32.180 31.823 -0.078 0.000 1.118 306 V HN 0.069 nan 8.190 nan 0.000 0.504 307 K N 0.653 120.961 120.400 -0.154 0.000 2.029 307 K HA -0.051 4.323 4.320 0.089 0.000 0.205 307 K C 0.973 177.455 176.600 -0.198 0.000 1.042 307 K CA 1.275 57.428 56.287 -0.223 0.000 0.949 307 K CB 0.021 32.314 32.500 -0.345 0.000 0.740 307 K HN 0.385 nan 8.250 nan 0.000 0.442 308 N N 1.153 119.742 118.700 -0.184 0.000 2.714 308 N HA -0.178 4.615 4.740 0.089 0.000 0.253 308 N C -0.824 174.621 175.510 -0.108 0.000 1.024 308 N CA 0.884 53.866 53.050 -0.114 0.000 0.726 308 N CB -1.152 37.305 38.487 -0.049 0.000 0.908 308 N HN 0.537 nan 8.380 nan 0.000 0.542 309 Q N -0.971 118.676 119.800 -0.255 0.000 2.171 309 Q HA 0.355 4.749 4.340 0.089 0.000 0.218 309 Q C 1.292 177.188 176.000 -0.174 0.000 0.822 309 Q CA 0.318 55.919 55.803 -0.336 0.000 0.987 309 Q CB 0.618 28.852 28.738 -0.840 0.000 1.144 309 Q HN 0.543 nan 8.270 nan 0.000 0.494 310 G N 0.863 109.582 108.800 -0.134 0.000 2.192 310 G HA2 -0.154 3.860 3.960 0.089 0.000 0.193 310 G HA3 -0.154 3.860 3.960 0.089 0.000 0.193 310 G C -0.247 174.601 174.900 -0.087 0.000 0.999 310 G CA -0.400 44.658 45.100 -0.071 0.000 0.659 310 G HN 0.261 nan 8.290 nan 0.000 0.503 311 D N 0.427 120.710 120.400 -0.195 0.000 2.360 311 D HA 0.431 5.124 4.640 0.089 0.000 0.242 311 D C 0.411 176.696 176.300 -0.025 0.000 1.184 311 D CA 0.153 54.057 54.000 -0.161 0.000 0.930 311 D CB 1.109 41.542 40.800 -0.612 0.000 1.161 311 D HN 0.011 nan 8.370 nan 0.000 0.447 312 L N 1.660 122.962 121.223 0.131 0.000 2.322 312 L HA 0.313 4.707 4.340 0.089 0.000 0.281 312 L C -2.293 174.670 176.870 0.154 0.000 1.014 312 L CA -2.053 52.906 54.840 0.199 0.000 0.815 312 L CB 1.034 43.314 42.059 0.367 0.000 1.247 312 L HN -0.026 nan 8.230 nan 0.000 0.421 313 P HA 0.084 nan 4.420 nan 0.000 0.262 313 P C -0.639 176.678 177.300 0.028 0.000 1.182 313 P CA 0.061 63.271 63.100 0.183 0.000 0.761 313 P CB 0.599 32.497 31.700 0.329 0.000 0.795 314 A N 3.449 126.128 122.820 -0.234 0.000 2.325 314 A HA 0.585 4.959 4.320 0.089 0.000 0.333 314 A C -0.293 177.131 177.584 -0.266 0.000 1.155 314 A CA -0.458 51.116 52.037 -0.772 0.000 0.814 314 A CB 0.462 18.746 19.000 -1.193 0.000 1.206 314 A HN 0.673 nan 8.150 nan 0.000 0.482 315 Y N -0.039 120.067 120.300 -0.323 0.000 2.563 315 Y HA 0.472 5.076 4.550 0.090 0.000 0.250 315 Y C 0.360 176.230 175.900 -0.049 0.000 1.126 315 Y CA -0.047 57.862 58.100 -0.318 0.000 1.231 315 Y CB -0.367 37.426 38.460 -1.112 0.000 1.288 315 Y HN 0.655 nan 8.280 nan 0.000 0.537 316 S N -1.869 113.710 115.700 -0.202 0.000 2.705 316 S HA 0.334 4.858 4.470 0.089 0.000 0.280 316 S C -0.337 174.265 174.600 0.003 0.000 1.174 316 S CA -0.569 57.599 58.200 -0.053 0.000 0.823 316 S CB 1.381 64.481 63.200 -0.168 0.000 1.162 316 S HN 0.101 nan 8.310 nan 0.000 0.487 317 Y N 1.952 122.145 120.300 -0.177 0.000 2.190 317 Y HA 0.289 4.894 4.550 0.092 0.000 0.290 317 Y C 1.175 176.866 175.900 -0.349 0.000 1.115 317 Y CA 1.236 59.203 58.100 -0.222 0.000 1.107 317 Y CB -0.896 37.423 38.460 -0.235 0.000 1.033 317 Y HN 0.719 nan 8.280 nan 0.000 0.502 318 T N 5.248 119.506 114.554 -0.495 0.000 2.867 318 T HA 0.129 4.532 4.350 0.089 0.000 0.297 318 T C -2.593 171.527 174.700 -0.967 0.000 0.989 318 T CA -0.885 60.571 62.100 -1.073 0.000 1.159 318 T CB 0.653 69.151 68.868 -0.617 0.000 0.928 318 T HN 0.094 nan 8.240 nan 0.000 0.538 319 P HA 0.116 nan 4.420 nan 0.000 0.268 319 P C -1.762 174.847 177.300 -1.151 0.000 1.204 319 P CA -1.460 60.828 63.100 -1.354 0.000 0.768 319 P CB 0.157 30.972 31.700 -1.475 0.000 0.842 320 P HA -0.139 nan 4.420 nan 0.000 0.225 320 P C 0.511 177.623 177.300 -0.313 0.000 1.148 320 P CA 1.482 64.267 63.100 -0.524 0.000 0.779 320 P CB -0.443 31.066 31.700 -0.318 0.000 0.780 321 Y N -2.692 117.421 120.300 -0.311 0.000 2.468 321 Y HA 0.393 4.996 4.550 0.088 0.000 0.268 321 Y C 0.558 176.362 175.900 -0.160 0.000 1.177 321 Y CA -0.884 57.105 58.100 -0.185 0.000 1.265 321 Y CB -1.570 36.804 38.460 -0.144 0.000 1.103 321 Y HN -0.327 nan 8.280 nan 0.000 0.522 322 T N 2.123 116.471 114.554 -0.344 0.000 2.926 322 T HA -0.065 4.339 4.350 0.089 0.000 0.307 322 T C -0.216 174.410 174.700 -0.123 0.000 1.059 322 T CA -0.240 61.708 62.100 -0.254 0.000 1.122 322 T CB 0.413 69.057 68.868 -0.374 0.000 0.972 322 T HN 0.256 nan 8.240 nan 0.000 0.545 323 D N 1.008 121.369 120.400 -0.065 0.000 2.382 323 D HA 0.242 4.936 4.640 0.089 0.000 0.259 323 D C 1.272 177.554 176.300 -0.030 0.000 1.224 323 D CA 1.260 55.251 54.000 -0.015 0.000 0.894 323 D CB -0.046 40.766 40.800 0.020 0.000 1.127 323 D HN 0.849 nan 8.370 nan 0.000 0.487 324 G N 2.580 111.383 108.800 0.004 0.000 2.176 324 G HA2 -0.134 3.879 3.960 0.089 0.000 0.232 324 G HA3 -0.134 3.879 3.960 0.089 0.000 0.232 324 G C 0.347 175.281 174.900 0.057 0.000 0.986 324 G CA 0.182 45.312 45.100 0.050 0.000 0.643 324 G HN 0.891 nan 8.290 nan 0.000 0.522 325 A N -0.108 122.694 122.820 -0.031 0.000 2.320 325 A HA 0.776 5.150 4.320 0.089 0.000 0.287 325 A C 0.329 177.900 177.584 -0.022 0.000 1.181 325 A CA 0.351 52.356 52.037 -0.053 0.000 0.831 325 A CB 0.821 19.709 19.000 -0.186 0.000 1.102 325 A HN 0.479 nan 8.150 nan 0.000 0.513 326 K N 3.242 123.647 120.400 0.009 0.000 2.954 326 K HA 0.398 4.772 4.320 0.089 0.000 0.171 326 K C -1.010 175.598 176.600 0.014 0.000 1.079 326 K CA 0.007 56.300 56.287 0.010 0.000 0.908 326 K CB -0.098 32.411 32.500 0.016 0.000 1.142 326 K HN 0.710 nan 8.250 nan 0.000 0.613 327 L N 1.510 122.740 121.223 0.011 0.000 2.417 327 L HA 0.364 4.758 4.340 0.089 0.000 0.268 327 L C 0.335 177.224 176.870 0.033 0.000 1.158 327 L CA -1.014 53.848 54.840 0.037 0.000 0.819 327 L CB 1.205 43.305 42.059 0.068 0.000 1.112 327 L HN 0.115 nan 8.230 nan 0.000 0.458 328 V N 2.482 122.403 119.914 0.012 0.000 2.439 328 V HA 0.260 4.434 4.120 0.089 0.000 0.282 328 V C 0.217 176.219 176.094 -0.154 0.000 1.039 328 V CA -0.583 61.683 62.300 -0.057 0.000 0.913 328 V CB 1.377 33.171 31.823 -0.048 0.000 0.983 328 V HN 0.774 nan 8.190 nan 0.000 0.460 329 E N 7.885 127.883 120.200 -0.337 0.000 2.366 329 E HA 0.250 4.654 4.350 0.089 0.000 0.266 329 E C -2.207 174.098 176.600 -0.493 0.000 1.015 329 E CA -1.337 54.633 56.400 -0.716 0.000 0.906 329 E CB 0.720 30.015 29.700 -0.675 0.000 0.979 329 E HN 0.704 nan 8.360 nan 0.000 0.443 330 P HA -0.008 nan 4.420 nan 0.000 0.272 330 P C -0.340 176.613 177.300 -0.578 0.000 1.223 330 P CA 0.024 62.817 63.100 -0.512 0.000 0.784 330 P CB 0.768 32.113 31.700 -0.592 0.000 0.923 331 E N 1.332 121.286 120.200 -0.409 0.000 2.216 331 E HA -0.098 4.305 4.350 0.089 0.000 0.192 331 E C 1.842 177.963 176.600 -0.799 0.000 0.988 331 E CA 0.920 57.088 56.400 -0.386 0.000 0.834 331 E CB -0.757 28.869 29.700 -0.123 0.000 0.772 331 E HN 0.643 nan 8.360 nan 0.000 0.479 332 W N 0.411 121.098 121.300 -1.021 0.000 2.364 332 W HA -0.150 4.564 4.660 0.089 0.000 0.281 332 W C 1.240 177.379 176.519 -0.634 0.000 1.219 332 W CA 0.260 56.639 57.345 -1.610 0.000 1.220 332 W CB -0.855 27.987 29.460 -1.030 0.000 1.127 332 W HN 0.032 nan 8.180 nan 0.000 0.556 333 F N 2.754 122.115 119.950 -0.981 0.000 2.407 333 F HA 0.021 4.602 4.527 0.089 0.000 0.299 333 F C 2.272 177.890 175.800 -0.303 0.000 1.097 333 F CA 1.396 58.949 58.000 -0.745 0.000 1.422 333 F CB -0.188 38.106 39.000 -1.176 0.000 1.067 333 F HN -0.264 nan 8.300 nan 0.000 0.539 334 K N -0.716 119.506 120.400 -0.297 0.000 2.243 334 K HA -0.068 4.306 4.320 0.089 0.000 0.201 334 K C 0.465 177.095 176.600 0.050 0.000 1.051 334 K CA 0.124 56.325 56.287 -0.144 0.000 0.970 334 K CB -0.186 32.268 32.500 -0.077 0.000 0.755 334 K HN 0.097 nan 8.250 nan 0.000 0.465 335 W N 2.453 123.752 121.300 -0.002 0.000 1.902 335 W HA 0.031 4.745 4.660 0.090 0.000 0.360 335 W C 1.266 177.788 176.519 0.004 0.000 1.414 335 W CA -1.083 56.280 57.345 0.030 0.000 1.457 335 W CB -0.553 28.966 29.460 0.098 0.000 1.279 335 W HN -0.067 nan 8.180 nan 0.000 0.665 336 S N -0.120 115.745 115.700 0.275 0.000 2.645 336 S HA 0.078 4.601 4.470 0.089 0.000 0.266 336 S C 0.757 175.469 174.600 0.187 0.000 1.258 336 S CA -0.426 57.864 58.200 0.150 0.000 0.990 336 S CB 1.309 64.559 63.200 0.085 0.000 0.967 336 S HN 0.379 nan 8.310 nan 0.000 0.556 337 Q N 0.832 120.709 119.800 0.128 0.000 2.119 337 Q HA -0.172 4.221 4.340 0.089 0.000 0.201 337 Q C 2.386 178.468 176.000 0.136 0.000 0.972 337 Q CA 2.161 58.050 55.803 0.143 0.000 0.847 337 Q CB -0.613 28.185 28.738 0.099 0.000 0.903 337 Q HN 0.912 nan 8.270 nan 0.000 0.433 338 Q N -0.102 119.754 119.800 0.093 0.000 2.061 338 Q HA -0.258 4.136 4.340 0.089 0.000 0.204 338 Q C 1.976 178.007 176.000 0.053 0.000 0.984 338 Q CA 1.911 57.751 55.803 0.061 0.000 0.846 338 Q CB -0.450 28.309 28.738 0.036 0.000 0.902 338 Q HN 0.337 nan 8.270 nan 0.000 0.421 339 K N 0.351 120.780 120.400 0.048 0.000 2.097 339 K HA -0.081 4.293 4.320 0.089 0.000 0.205 339 K C 2.349 179.000 176.600 0.084 0.000 1.050 339 K CA 0.834 57.098 56.287 -0.038 0.000 0.938 339 K CB 0.077 32.446 32.500 -0.217 0.000 0.718 339 K HN 0.197 nan 8.250 nan 0.000 0.442 340 R N 0.421 121.107 120.500 0.309 0.000 2.081 340 R HA -0.086 4.307 4.340 0.089 0.000 0.235 340 R C 1.982 178.419 176.300 0.228 0.000 1.131 340 R CA 1.470 57.819 56.100 0.414 0.000 0.960 340 R CB -0.355 30.187 30.300 0.402 0.000 0.856 340 R HN 0.276 nan 8.270 nan 0.000 0.436 341 N N 0.761 119.556 118.700 0.158 0.000 2.120 341 N HA -0.182 4.611 4.740 0.089 0.000 0.188 341 N C 1.703 177.261 175.510 0.081 0.000 1.024 341 N CA 1.147 54.266 53.050 0.115 0.000 0.852 341 N CB -0.290 38.255 38.487 0.096 0.000 1.003 341 N HN 0.166 nan 8.380 nan 0.000 0.424 342 E N 1.418 121.650 120.200 0.054 0.000 2.058 342 E HA -0.141 4.263 4.350 0.089 0.000 0.194 342 E C 1.630 178.244 176.600 0.024 0.000 0.997 342 E CA 1.177 57.589 56.400 0.021 0.000 0.801 342 E CB -0.133 29.558 29.700 -0.015 0.000 0.746 342 E HN 0.225 nan 8.360 nan 0.000 0.450 343 E N -0.127 120.095 120.200 0.037 0.000 2.072 343 E HA -0.138 4.265 4.350 0.089 0.000 0.191 343 E C 1.951 178.600 176.600 0.082 0.000 0.985 343 E CA 1.064 57.502 56.400 0.064 0.000 0.801 343 E CB -0.379 29.410 29.700 0.148 0.000 0.750 343 E HN 0.332 nan 8.360 nan 0.000 0.452 344 A N 1.589 124.466 122.820 0.095 0.000 1.883 344 A HA -0.232 4.142 4.320 0.089 0.000 0.217 344 A C 2.130 179.740 177.584 0.044 0.000 1.186 344 A CA 1.845 53.920 52.037 0.062 0.000 0.624 344 A CB -0.426 18.617 19.000 0.072 0.000 0.822 344 A HN 0.121 nan 8.150 nan 0.000 0.444 345 K N -0.542 119.888 120.400 0.049 0.000 2.063 345 K HA -0.172 4.202 4.320 0.089 0.000 0.208 345 K C 2.299 178.921 176.600 0.036 0.000 1.048 345 K CA 1.562 57.874 56.287 0.042 0.000 0.928 345 K CB -0.134 32.390 32.500 0.040 0.000 0.713 345 K HN 0.412 nan 8.250 nan 0.000 0.442 346 K N 1.235 121.654 120.400 0.032 0.000 2.002 346 K HA -0.143 4.231 4.320 0.089 0.000 0.209 346 K C 2.100 178.717 176.600 0.028 0.000 1.048 346 K CA 1.296 57.597 56.287 0.025 0.000 0.930 346 K CB -0.185 32.326 32.500 0.018 0.000 0.714 346 K HN 0.104 nan 8.250 nan 0.000 0.438 347 L N 1.079 122.322 121.223 0.034 0.000 2.042 347 L HA -0.207 4.187 4.340 0.089 0.000 0.210 347 L C 2.629 179.522 176.870 0.038 0.000 1.076 347 L CA 0.849 55.708 54.840 0.031 0.000 0.749 347 L CB -0.404 41.671 42.059 0.028 0.000 0.893 347 L HN 0.256 nan 8.230 nan 0.000 0.432 348 L N -0.298 120.953 121.223 0.047 0.000 2.042 348 L HA -0.242 4.152 4.340 0.089 0.000 0.210 348 L C 2.828 179.770 176.870 0.120 0.000 1.076 348 L CA 1.574 56.472 54.840 0.096 0.000 0.749 348 L CB -0.551 41.553 42.059 0.075 0.000 0.893 348 L HN 0.301 nan 8.230 nan 0.000 0.432 349 A N -0.244 122.615 122.820 0.065 0.000 1.933 349 A HA -0.204 4.169 4.320 0.089 0.000 0.218 349 A C 1.996 179.576 177.584 -0.006 0.000 1.175 349 A CA 1.506 53.561 52.037 0.029 0.000 0.628 349 A CB -0.353 18.659 19.000 0.020 0.000 0.814 349 A HN 0.524 nan 8.150 nan 0.000 0.444 350 E N 0.123 120.323 120.200 0.002 0.000 2.150 350 E HA -0.114 4.290 4.350 0.089 0.000 0.193 350 E C 2.038 178.615 176.600 -0.040 0.000 0.985 350 E CA 1.103 57.492 56.400 -0.017 0.000 0.814 350 E CB -0.433 29.265 29.700 -0.004 0.000 0.752 350 E HN 0.612 nan 8.360 nan 0.000 0.466 351 A N 0.632 123.443 122.820 -0.015 0.000 2.167 351 A HA 0.228 4.602 4.320 0.089 0.000 0.214 351 A C 1.752 179.171 177.584 -0.274 0.000 1.151 351 A CA 1.109 53.120 52.037 -0.043 0.000 0.735 351 A CB -0.143 18.929 19.000 0.120 0.000 0.802 351 A HN 0.350 nan 8.150 nan 0.000 0.467 352 G N -2.434 106.170 108.800 -0.326 0.000 2.143 352 G HA2 -0.155 3.858 3.960 0.089 0.000 0.175 352 G HA3 -0.155 3.858 3.960 0.089 0.000 0.175 352 G C -0.246 174.204 174.900 -0.750 0.000 1.004 352 G CA -0.198 44.598 45.100 -0.507 0.000 0.671 352 G HN 0.290 nan 8.290 nan 0.000 0.512 353 F N 2.675 122.597 119.950 -0.047 0.000 2.308 353 F HA 0.565 5.146 4.527 0.090 0.000 0.370 353 F C 1.217 177.002 175.800 -0.025 0.000 1.100 353 F CA -0.096 57.881 58.000 -0.039 0.000 1.108 353 F CB 1.102 40.073 39.000 -0.049 0.000 1.293 353 F HN 0.226 nan 8.300 nan 0.000 0.478 354 T N -0.709 113.898 114.554 0.089 0.000 2.891 354 T HA 0.632 5.036 4.350 0.089 0.000 0.294 354 T C 1.228 175.973 174.700 0.077 0.000 1.065 354 T CA -0.011 62.122 62.100 0.055 0.000 0.936 354 T CB 1.297 70.169 68.868 0.008 0.000 1.415 354 T HN 0.434 nan 8.240 nan 0.000 0.572 355 A N -0.578 122.270 122.820 0.048 0.000 2.095 355 A HA 0.187 4.560 4.320 0.089 0.000 0.212 355 A C 1.921 179.530 177.584 0.040 0.000 1.162 355 A CA 1.017 53.081 52.037 0.046 0.000 0.753 355 A CB -0.827 18.194 19.000 0.034 0.000 0.840 355 A HN 0.871 nan 8.150 nan 0.000 0.468 356 D N 0.669 121.088 120.400 0.032 0.000 2.234 356 D HA -0.068 4.626 4.640 0.089 0.000 0.205 356 D C 0.677 176.999 176.300 0.036 0.000 0.962 356 D CA 1.056 55.071 54.000 0.025 0.000 0.855 356 D CB 0.099 40.906 40.800 0.011 0.000 0.951 356 D HN 0.511 nan 8.370 nan 0.000 0.500 357 K N 0.153 120.587 120.400 0.056 0.000 2.814 357 K HA 0.349 4.723 4.320 0.089 0.000 0.205 357 K C -3.054 173.656 176.600 0.184 0.000 1.093 357 K CA -1.651 54.691 56.287 0.090 0.000 1.035 357 K CB 1.996 34.529 32.500 0.055 0.000 1.220 357 K HN -0.125 nan 8.250 nan 0.000 0.576 358 P HA 0.043 nan 4.420 nan 0.000 0.272 358 P C -0.305 177.066 177.300 0.119 0.000 1.230 358 P CA -0.721 62.456 63.100 0.127 0.000 0.788 358 P CB 0.657 32.392 31.700 0.058 0.000 0.949 359 L N 1.914 123.105 121.223 -0.052 0.000 2.331 359 L HA 0.413 4.806 4.340 0.089 0.000 0.278 359 L C -0.400 176.432 176.870 -0.064 0.000 1.106 359 L CA 0.822 55.450 54.840 -0.354 0.000 0.824 359 L CB 0.293 41.827 42.059 -0.875 0.000 1.142 359 L HN 0.266 nan 8.230 nan 0.000 0.443 360 T N 6.671 121.228 114.554 0.006 0.000 2.824 360 T HA 0.741 5.145 4.350 0.089 0.000 0.282 360 T C -0.874 173.930 174.700 0.173 0.000 0.993 360 T CA -0.070 62.043 62.100 0.022 0.000 0.967 360 T CB 0.768 69.642 68.868 0.010 0.000 0.960 360 T HN 0.529 nan 8.240 nan 0.000 0.441 361 F N -0.363 119.608 119.950 0.035 0.000 2.779 361 F HA 0.701 5.282 4.527 0.089 0.000 0.316 361 F C -1.437 174.413 175.800 0.084 0.000 1.164 361 F CA -1.348 56.710 58.000 0.098 0.000 0.924 361 F CB 0.915 40.054 39.000 0.232 0.000 1.348 361 F HN 0.233 nan 8.300 nan 0.000 0.467 362 D N 1.582 122.135 120.400 0.254 0.000 2.193 362 D HA 0.468 5.161 4.640 0.089 0.000 0.249 362 D C -1.305 175.169 176.300 0.291 0.000 1.034 362 D CA -0.162 53.936 54.000 0.163 0.000 0.902 362 D CB 2.594 43.494 40.800 0.167 0.000 1.182 362 D HN 0.561 nan 8.370 nan 0.000 0.436 363 L N 2.719 124.072 121.223 0.216 0.000 2.345 363 L HA 0.332 4.725 4.340 0.089 0.000 0.274 363 L C -1.503 175.549 176.870 0.303 0.000 0.999 363 L CA -0.791 54.228 54.840 0.300 0.000 0.849 363 L CB 1.140 43.359 42.059 0.267 0.000 1.220 363 L HN 0.201 nan 8.230 nan 0.000 0.422 364 L N 6.601 128.009 121.223 0.308 0.000 2.312 364 L HA 0.647 5.040 4.340 0.089 0.000 0.281 364 L C -1.003 176.065 176.870 0.331 0.000 1.070 364 L CA -0.035 54.954 54.840 0.249 0.000 0.805 364 L CB 0.952 43.155 42.059 0.240 0.000 1.174 364 L HN 0.637 nan 8.230 nan 0.000 0.434 365 Y N 2.222 122.570 120.300 0.081 0.000 2.615 365 Y HA 0.603 5.206 4.550 0.089 0.000 0.341 365 Y C -0.831 174.694 175.900 -0.625 0.000 1.089 365 Y CA -1.557 56.436 58.100 -0.179 0.000 1.049 365 Y CB 0.799 39.256 38.460 -0.005 0.000 1.296 365 Y HN 0.686 nan 8.280 nan 0.000 0.470 366 N N 0.527 118.638 118.700 -0.982 0.000 2.472 366 N HA 0.114 4.907 4.740 0.089 0.000 0.277 366 N C -0.666 174.799 175.510 -0.076 0.000 1.081 366 N CA -0.344 52.247 53.050 -0.765 0.000 0.973 366 N CB 1.210 39.383 38.487 -0.524 0.000 1.105 366 N HN 0.783 nan 8.380 nan 0.000 0.470 367 T N 1.378 115.867 114.554 -0.109 0.000 2.718 367 T HA 0.083 4.486 4.350 0.089 0.000 0.265 367 T C 0.379 175.178 174.700 0.165 0.000 1.014 367 T CA 0.608 62.742 62.100 0.056 0.000 1.172 367 T CB -0.372 68.501 68.868 0.007 0.000 1.007 367 T HN 0.759 nan 8.240 nan 0.000 0.500 368 S N 1.867 117.716 115.700 0.248 0.000 2.678 368 S HA 0.156 4.680 4.470 0.089 0.000 0.290 368 S C 0.218 174.850 174.600 0.054 0.000 1.047 368 S CA -0.812 57.455 58.200 0.113 0.000 0.851 368 S CB 1.237 64.503 63.200 0.110 0.000 1.058 368 S HN 0.535 nan 8.310 nan 0.000 0.451 369 D N 1.332 121.720 120.400 -0.021 0.000 2.097 369 D HA -0.057 4.637 4.640 0.089 0.000 0.197 369 D C 1.900 178.137 176.300 -0.104 0.000 0.984 369 D CA 1.558 55.532 54.000 -0.044 0.000 0.826 369 D CB -0.053 40.720 40.800 -0.045 0.000 0.973 369 D HN 0.445 nan 8.370 nan 0.000 0.460 370 L N 1.234 122.354 121.223 -0.172 0.000 1.989 370 L HA -0.193 4.201 4.340 0.089 0.000 0.211 370 L C 2.280 179.032 176.870 -0.198 0.000 1.071 370 L CA 1.866 56.573 54.840 -0.223 0.000 0.749 370 L CB -0.781 41.092 42.059 -0.309 0.000 0.890 370 L HN 0.129 nan 8.230 nan 0.000 0.431 371 H N -0.270 118.796 119.070 -0.008 0.000 2.387 371 H HA -0.166 4.443 4.556 0.088 0.000 0.299 371 H C 2.180 177.252 175.328 -0.426 0.000 1.090 371 H CA 1.627 57.638 56.048 -0.062 0.000 1.332 371 H CB -0.298 29.504 29.762 0.066 0.000 1.386 371 H HN 0.459 nan 8.280 nan 0.000 0.516 372 K N 1.181 121.323 120.400 -0.431 0.000 2.002 372 K HA -0.136 4.238 4.320 0.089 0.000 0.209 372 K C 2.032 178.468 176.600 -0.274 0.000 1.048 372 K CA 1.082 57.023 56.287 -0.577 0.000 0.930 372 K CB 0.238 32.617 32.500 -0.202 0.000 0.714 372 K HN -0.078 nan 8.250 nan 0.000 0.438 373 K N 1.017 121.322 120.400 -0.159 0.000 2.063 373 K HA -0.136 4.237 4.320 0.089 0.000 0.208 373 K C 2.171 178.712 176.600 -0.097 0.000 1.048 373 K CA 1.378 57.601 56.287 -0.107 0.000 0.928 373 K CB -0.504 31.942 32.500 -0.090 0.000 0.713 373 K HN 0.283 nan 8.250 nan 0.000 0.442 374 L N 0.229 121.406 121.223 -0.077 0.000 2.056 374 L HA -0.123 4.270 4.340 0.089 0.000 0.207 374 L C 2.538 179.400 176.870 -0.013 0.000 1.078 374 L CA 1.217 56.045 54.840 -0.019 0.000 0.749 374 L CB -0.619 41.476 42.059 0.061 0.000 0.901 374 L HN 0.088 nan 8.230 nan 0.000 0.433 375 A N 0.293 123.079 122.820 -0.058 0.000 1.933 375 A HA -0.166 4.207 4.320 0.089 0.000 0.218 375 A C 2.225 179.741 177.584 -0.113 0.000 1.175 375 A CA 1.418 53.404 52.037 -0.084 0.000 0.628 375 A CB -0.632 18.270 19.000 -0.162 0.000 0.814 375 A HN 0.333 nan 8.150 nan 0.000 0.444 376 I N -0.252 120.252 120.570 -0.110 0.000 2.179 376 I HA -0.303 3.921 4.170 0.089 0.000 0.242 376 I C 2.975 179.042 176.117 -0.083 0.000 1.088 376 I CA 1.162 62.417 61.300 -0.076 0.000 1.357 376 I CB -0.291 37.671 38.000 -0.062 0.000 1.051 376 I HN 0.360 nan 8.210 nan 0.000 0.409 377 A N 0.069 122.834 122.820 -0.092 0.000 1.902 377 A HA -0.140 4.234 4.320 0.089 0.000 0.217 377 A C 2.412 179.905 177.584 -0.152 0.000 1.181 377 A CA 1.661 53.640 52.037 -0.097 0.000 0.623 377 A CB -0.870 18.079 19.000 -0.085 0.000 0.818 377 A HN 0.252 nan 8.150 nan 0.000 0.443 378 V N -0.328 119.450 119.914 -0.227 0.000 2.379 378 V HA -0.176 3.998 4.120 0.089 0.000 0.245 378 V C 3.035 178.871 176.094 -0.429 0.000 1.044 378 V CA 1.701 63.720 62.300 -0.468 0.000 1.036 378 V CB -1.047 30.377 31.823 -0.665 0.000 0.664 378 V HN 0.605 nan 8.190 nan 0.000 0.453 379 A N -0.837 121.858 122.820 -0.208 0.000 1.908 379 A HA -0.245 4.129 4.320 0.089 0.000 0.218 379 A C 2.548 180.142 177.584 0.017 0.000 1.181 379 A CA 2.306 54.328 52.037 -0.026 0.000 0.627 379 A CB -0.747 18.235 19.000 -0.031 0.000 0.818 379 A HN 0.466 nan 8.150 nan 0.000 0.445 380 S N -0.645 115.033 115.700 -0.037 0.000 2.355 380 S HA -0.094 4.429 4.470 0.089 0.000 0.222 380 S C 1.883 176.486 174.600 0.006 0.000 1.031 380 S CA 1.380 59.572 58.200 -0.012 0.000 0.993 380 S CB -0.456 62.726 63.200 -0.030 0.000 0.859 380 S HN 0.482 nan 8.310 nan 0.000 0.453 381 I N 0.099 120.641 120.570 -0.046 0.000 2.202 381 I HA -0.158 4.066 4.170 0.089 0.000 0.242 381 I C 2.086 178.276 176.117 0.122 0.000 1.091 381 I CA 0.962 62.254 61.300 -0.014 0.000 1.368 381 I CB -0.315 37.618 38.000 -0.111 0.000 1.058 381 I HN 0.412 nan 8.210 nan 0.000 0.410 382 W N 1.195 122.500 121.300 0.008 0.000 2.374 382 W HA -0.155 4.558 4.660 0.090 0.000 0.288 382 W C 2.592 179.120 176.519 0.015 0.000 1.218 382 W CA 0.852 58.211 57.345 0.024 0.000 1.245 382 W CB -0.770 28.713 29.460 0.038 0.000 1.126 382 W HN 0.047 nan 8.180 nan 0.000 0.545 383 K N 0.842 121.375 120.400 0.221 0.000 2.025 383 K HA -0.155 4.218 4.320 0.089 0.000 0.207 383 K C 2.007 178.664 176.600 0.095 0.000 1.049 383 K CA 1.146 57.503 56.287 0.117 0.000 0.933 383 K CB -0.558 31.982 32.500 0.067 0.000 0.714 383 K HN 0.017 nan 8.250 nan 0.000 0.438 384 K N 0.787 121.240 120.400 0.089 0.000 2.025 384 K HA -0.101 4.273 4.320 0.089 0.000 0.207 384 K C 1.259 177.909 176.600 0.083 0.000 1.049 384 K CA 1.273 57.602 56.287 0.070 0.000 0.933 384 K CB 0.026 32.557 32.500 0.053 0.000 0.714 384 K HN 0.083 nan 8.250 nan 0.000 0.438 385 N N 0.165 118.936 118.700 0.118 0.000 2.373 385 N HA -0.024 4.770 4.740 0.089 0.000 0.181 385 N C 1.021 176.601 175.510 0.117 0.000 1.082 385 N CA 0.394 53.516 53.050 0.120 0.000 0.885 385 N CB 0.505 39.085 38.487 0.155 0.000 0.977 385 N HN 0.120 nan 8.380 nan 0.000 0.462 386 L N -1.634 119.661 121.223 0.120 0.000 3.284 386 L HA 0.367 4.761 4.340 0.089 0.000 0.294 386 L C 0.921 177.829 176.870 0.063 0.000 1.183 386 L CA 0.578 55.467 54.840 0.081 0.000 1.056 386 L CB 0.092 42.191 42.059 0.066 0.000 1.513 386 L HN 0.157 nan 8.230 nan 0.000 0.601 387 G N 0.619 109.461 108.800 0.070 0.000 2.143 387 G HA2 -0.221 3.792 3.960 0.089 0.000 0.248 387 G HA3 -0.221 3.792 3.960 0.089 0.000 0.248 387 G C 0.295 175.219 174.900 0.040 0.000 0.991 387 G CA 0.460 45.592 45.100 0.053 0.000 0.689 387 G HN 0.701 nan 8.290 nan 0.000 0.522 388 V N -2.445 117.492 119.914 0.039 0.000 2.785 388 V HA 0.766 4.939 4.120 0.089 0.000 0.300 388 V C 0.152 176.229 176.094 -0.028 0.000 1.062 388 V CA -1.553 60.752 62.300 0.009 0.000 1.029 388 V CB 1.734 33.581 31.823 0.040 0.000 1.024 388 V HN 0.141 nan 8.190 nan 0.000 0.477 389 N N 2.358 121.007 118.700 -0.085 0.000 2.425 389 N HA 0.590 5.383 4.740 0.089 0.000 0.268 389 N C -0.874 174.455 175.510 -0.303 0.000 0.991 389 N CA -0.233 52.744 53.050 -0.122 0.000 0.931 389 N CB 1.618 40.064 38.487 -0.068 0.000 1.130 389 N HN 0.700 nan 8.380 nan 0.000 0.493 390 V N 2.625 122.370 119.914 -0.281 0.000 2.448 390 V HA 0.389 4.562 4.120 0.089 0.000 0.295 390 V C -0.124 175.855 176.094 -0.193 0.000 1.025 390 V CA -0.993 61.056 62.300 -0.419 0.000 0.859 390 V CB 1.363 32.992 31.823 -0.324 0.000 0.988 390 V HN 0.529 nan 8.190 nan 0.000 0.431 391 N N 4.318 122.924 118.700 -0.156 0.000 2.426 391 N HA 0.532 5.326 4.740 0.089 0.000 0.257 391 N C -0.967 174.560 175.510 0.028 0.000 1.002 391 N CA -0.614 52.413 53.050 -0.038 0.000 0.942 391 N CB 1.340 39.822 38.487 -0.008 0.000 1.112 391 N HN 0.439 nan 8.380 nan 0.000 0.499 392 L N 2.332 123.597 121.223 0.069 0.000 2.349 392 L HA 0.300 4.693 4.340 0.089 0.000 0.275 392 L C 0.116 177.070 176.870 0.142 0.000 1.115 392 L CA 0.239 55.178 54.840 0.164 0.000 0.820 392 L CB 0.490 42.671 42.059 0.203 0.000 1.135 392 L HN 0.548 nan 8.230 nan 0.000 0.445 393 E N 2.969 123.241 120.200 0.121 0.000 2.290 393 E HA 0.310 4.713 4.350 0.089 0.000 0.274 393 E C -1.203 175.214 176.600 -0.306 0.000 0.889 393 E CA -0.796 55.591 56.400 -0.021 0.000 0.760 393 E CB 1.944 31.656 29.700 0.019 0.000 1.206 393 E HN 0.581 nan 8.360 nan 0.000 0.419 394 N N 2.721 121.170 118.700 -0.417 0.000 2.405 394 N HA 0.272 5.065 4.740 0.089 0.000 0.299 394 N C -0.778 174.544 175.510 -0.315 0.000 1.075 394 N CA -0.531 52.093 53.050 -0.710 0.000 0.884 394 N CB 2.238 40.347 38.487 -0.629 0.000 1.194 394 N HN 0.449 nan 8.380 nan 0.000 0.491 395 Q N 0.222 119.850 119.800 -0.286 0.000 2.389 395 Q HA 0.188 4.581 4.340 0.089 0.000 0.277 395 Q C -1.055 174.912 176.000 -0.055 0.000 1.082 395 Q CA -0.740 55.010 55.803 -0.089 0.000 0.810 395 Q CB 2.779 31.551 28.738 0.058 0.000 1.374 395 Q HN 0.666 nan 8.270 nan 0.000 0.422 396 E N 1.729 121.941 120.200 0.020 0.000 2.418 396 E HA -0.123 4.280 4.350 0.089 0.000 0.261 396 E C 0.343 177.054 176.600 0.185 0.000 1.070 396 E CA 0.031 56.481 56.400 0.082 0.000 0.931 396 E CB 0.554 30.302 29.700 0.080 0.000 0.954 396 E HN 0.735 nan 8.360 nan 0.000 0.439 397 W N 4.844 126.151 121.300 0.011 0.000 2.289 397 W HA -0.345 4.369 4.660 0.090 0.000 0.331 397 W C 1.927 178.538 176.519 0.154 0.000 1.283 397 W CA 2.063 59.461 57.345 0.088 0.000 1.252 397 W CB -0.130 29.354 29.460 0.040 0.000 1.153 397 W HN 0.606 nan 8.180 nan 0.000 0.467 398 K N 0.200 120.606 120.400 0.010 0.000 2.097 398 K HA -0.150 4.223 4.320 0.089 0.000 0.206 398 K C 1.675 178.216 176.600 -0.099 0.000 1.049 398 K CA 2.354 58.550 56.287 -0.151 0.000 0.933 398 K CB -1.487 31.016 32.500 0.006 0.000 0.717 398 K HN 0.102 nan 8.250 nan 0.000 0.442 399 T N 1.371 115.925 114.554 0.001 0.000 2.777 399 T HA -0.070 4.334 4.350 0.089 0.000 0.266 399 T C 1.462 176.168 174.700 0.010 0.000 1.040 399 T CA 1.273 63.378 62.100 0.008 0.000 1.141 399 T CB -0.473 68.418 68.868 0.039 0.000 0.868 399 T HN 0.307 nan 8.240 nan 0.000 0.444 400 F N 1.964 121.827 119.950 -0.144 0.000 2.120 400 F HA -0.091 4.489 4.527 0.088 0.000 0.300 400 F C 1.853 177.485 175.800 -0.280 0.000 1.095 400 F CA 1.106 58.994 58.000 -0.187 0.000 1.249 400 F CB -0.546 38.377 39.000 -0.128 0.000 0.995 400 F HN 0.069 nan 8.300 nan 0.000 0.480 401 L N -0.300 120.671 121.223 -0.420 0.000 2.046 401 L HA -0.222 4.172 4.340 0.089 0.000 0.208 401 L C 2.400 179.127 176.870 -0.239 0.000 1.077 401 L CA 1.650 56.193 54.840 -0.496 0.000 0.747 401 L CB -0.924 40.843 42.059 -0.486 0.000 0.896 401 L HN 0.150 nan 8.230 nan 0.000 0.432 402 D N -0.255 120.055 120.400 -0.150 0.000 2.092 402 D HA -0.174 4.520 4.640 0.089 0.000 0.193 402 D C 1.994 178.262 176.300 -0.053 0.000 0.994 402 D CA 1.941 55.909 54.000 -0.054 0.000 0.828 402 D CB 0.167 40.938 40.800 -0.050 0.000 0.963 402 D HN 0.260 nan 8.370 nan 0.000 0.450 403 T N 0.719 115.207 114.554 -0.110 0.000 2.720 403 T HA -0.161 4.243 4.350 0.089 0.000 0.268 403 T C 2.063 176.691 174.700 -0.120 0.000 1.037 403 T CA 1.106 63.154 62.100 -0.085 0.000 1.144 403 T CB -0.048 68.764 68.868 -0.094 0.000 0.864 403 T HN 0.176 nan 8.240 nan 0.000 0.444 404 R N -0.180 120.082 120.500 -0.398 0.000 2.073 404 R HA -0.001 4.393 4.340 0.089 0.000 0.229 404 R C 2.513 178.764 176.300 -0.082 0.000 1.120 404 R CA 0.979 56.754 56.100 -0.542 0.000 0.967 404 R CB -0.273 29.439 30.300 -0.979 0.000 0.862 404 R HN 0.487 nan 8.270 nan 0.000 0.436 405 H N 0.629 119.664 119.070 -0.059 0.000 2.387 405 H HA -0.089 4.520 4.556 0.089 0.000 0.299 405 H C 1.878 177.302 175.328 0.161 0.000 1.090 405 H CA 1.430 57.505 56.048 0.044 0.000 1.332 405 H CB 0.202 29.935 29.762 -0.049 0.000 1.386 405 H HN 0.320 nan 8.280 nan 0.000 0.516 406 Q N -0.601 119.311 119.800 0.186 0.000 2.297 406 Q HA 0.009 4.402 4.340 0.089 0.000 0.204 406 Q C 1.217 177.239 176.000 0.037 0.000 0.962 406 Q CA 0.749 56.616 55.803 0.106 0.000 0.879 406 Q CB 0.460 29.233 28.738 0.059 0.000 0.947 406 Q HN 0.651 nan 8.270 nan 0.000 0.462 407 G N 0.917 109.770 108.800 0.087 0.000 2.132 407 G HA2 -0.253 3.761 3.960 0.089 0.000 0.234 407 G HA3 -0.253 3.761 3.960 0.089 0.000 0.234 407 G C 0.313 175.197 174.900 -0.026 0.000 0.989 407 G CA 0.426 45.443 45.100 -0.139 0.000 0.676 407 G HN 0.386 nan 8.290 nan 0.000 0.522 408 T N -0.802 113.840 114.554 0.146 0.000 3.540 408 T HA 0.634 5.037 4.350 0.089 0.000 0.269 408 T C -0.003 174.825 174.700 0.212 0.000 1.481 408 T CA 0.028 62.185 62.100 0.095 0.000 1.224 408 T CB -0.707 68.200 68.868 0.065 0.000 1.192 408 T HN 1.535 nan 8.240 nan 0.000 0.756 409 F N -1.714 118.201 119.950 -0.059 0.000 2.711 409 F HA 0.742 5.323 4.527 0.090 0.000 0.313 409 F C -0.642 175.121 175.800 -0.061 0.000 1.141 409 F CA -1.467 56.508 58.000 -0.040 0.000 0.941 409 F CB 0.682 39.648 39.000 -0.057 0.000 1.349 409 F HN -0.123 nan 8.300 nan 0.000 0.464 410 D N 0.450 120.846 120.400 -0.007 0.000 2.805 410 D HA 0.260 4.954 4.640 0.089 0.000 0.271 410 D C -0.310 175.705 176.300 -0.475 0.000 1.166 410 D CA 1.113 54.915 54.000 -0.329 0.000 1.004 410 D CB 0.669 41.415 40.800 -0.089 0.000 1.136 410 D HN 0.232 nan 8.370 nan 0.000 0.444 411 V N 0.556 120.453 119.914 -0.028 0.000 2.656 411 V HA 0.754 4.928 4.120 0.089 0.000 0.307 411 V C -0.734 175.583 176.094 0.371 0.000 1.051 411 V CA -0.844 61.520 62.300 0.107 0.000 0.893 411 V CB 1.818 33.684 31.823 0.072 0.000 0.999 411 V HN 0.302 nan 8.190 nan 0.000 0.426 412 A N 4.156 127.180 122.820 0.341 0.000 2.449 412 A HA 0.777 5.150 4.320 0.089 0.000 0.302 412 A C -0.355 177.359 177.584 0.216 0.000 1.048 412 A CA -0.770 51.403 52.037 0.226 0.000 0.708 412 A CB 1.646 20.533 19.000 -0.190 0.000 1.274 412 A HN 0.737 nan 8.150 nan 0.000 0.410 413 R N 1.301 121.971 120.500 0.283 0.000 2.623 413 R HA 0.506 4.900 4.340 0.089 0.000 0.271 413 R C -0.326 175.788 176.300 -0.311 0.000 1.043 413 R CA 1.119 57.177 56.100 -0.070 0.000 1.083 413 R CB 0.451 30.761 30.300 0.016 0.000 0.974 413 R HN 1.325 nan 8.270 nan 0.000 0.436 414 A N 1.588 123.930 122.820 -0.796 0.000 2.602 414 A HA 0.708 5.082 4.320 0.089 0.000 0.290 414 A C -1.042 176.012 177.584 -0.883 0.000 1.114 414 A CA -0.157 51.394 52.037 -0.810 0.000 0.683 414 A CB 1.905 20.188 19.000 -1.196 0.000 1.281 414 A HN 0.820 nan 8.150 nan 0.000 0.416 415 G N -0.352 108.231 108.800 -0.363 0.000 2.505 415 G HA2 0.475 4.489 3.960 0.089 0.000 0.292 415 G HA3 0.475 4.489 3.960 0.089 0.000 0.292 415 G C -1.292 173.762 174.900 0.257 0.000 1.332 415 G CA -0.201 44.935 45.100 0.060 0.000 1.286 415 G HN 0.980 nan 8.290 nan 0.000 0.606 416 W N 3.487 124.925 121.300 0.229 0.000 2.478 416 W HA 0.575 5.290 4.660 0.092 0.000 0.318 416 W C -0.933 175.441 176.519 -0.241 0.000 1.062 416 W CA -0.755 56.577 57.345 -0.022 0.000 1.210 416 W CB 1.817 31.230 29.460 -0.079 0.000 1.325 416 W HN 0.498 nan 8.180 nan 0.000 0.496 417 c N 4.490 122.528 118.600 -0.937 0.000 2.376 417 c HA 0.651 5.275 4.570 0.089 0.000 0.335 417 c C 0.884 174.345 174.090 -1.047 0.000 1.229 417 c CA -0.541 55.303 56.329 -0.810 0.000 1.867 417 c CB 0.578 42.686 42.510 -0.670 0.000 2.319 417 c HN 0.703 nan 8.230 nan 0.000 0.515 418 A N 2.111 124.579 122.820 -0.587 0.000 2.520 418 A HA 0.191 4.564 4.320 0.089 0.000 0.235 418 A C 0.825 178.213 177.584 -0.326 0.000 1.065 418 A CA 0.333 52.111 52.037 -0.432 0.000 0.764 418 A CB 0.194 19.144 19.000 -0.084 0.000 1.002 418 A HN 0.931 nan 8.150 nan 0.000 0.502 419 D N -0.964 119.305 120.400 -0.218 0.000 2.392 419 D HA 0.180 4.874 4.640 0.089 0.000 0.206 419 D C -0.454 175.969 176.300 0.204 0.000 1.046 419 D CA 1.324 55.322 54.000 -0.003 0.000 0.865 419 D CB 0.229 41.031 40.800 0.004 0.000 0.969 419 D HN 0.653 nan 8.370 nan 0.000 0.509 420 Y N -1.686 118.626 120.300 0.021 0.000 2.592 420 Y HA 0.445 5.047 4.550 0.086 0.000 0.334 420 Y C -0.876 175.016 175.900 -0.013 0.000 1.136 420 Y CA -1.539 56.566 58.100 0.007 0.000 1.042 420 Y CB 0.388 38.845 38.460 -0.006 0.000 1.325 420 Y HN -0.403 nan 8.280 nan 0.000 0.457 421 N N 2.807 121.553 118.700 0.078 0.000 2.868 421 N HA 0.223 5.016 4.740 0.089 0.000 0.252 421 N C -1.189 174.299 175.510 -0.037 0.000 1.130 421 N CA 0.331 53.376 53.050 -0.009 0.000 1.026 421 N CB -0.127 38.387 38.487 0.045 0.000 1.335 421 N HN 0.759 nan 8.380 nan 0.000 0.516 422 E N 2.138 122.232 120.200 -0.177 0.000 2.378 422 E HA 0.231 4.635 4.350 0.089 0.000 0.283 422 E C -2.364 173.991 176.600 -0.409 0.000 0.979 422 E CA -1.511 54.734 56.400 -0.259 0.000 0.795 422 E CB 1.913 31.463 29.700 -0.249 0.000 1.221 422 E HN 0.085 nan 8.360 nan 0.000 0.428 423 P HA -0.129 nan 4.420 nan 0.000 0.221 423 P C 1.136 178.083 177.300 -0.588 0.000 1.145 423 P CA 1.676 64.418 63.100 -0.597 0.000 0.795 423 P CB 0.028 31.246 31.700 -0.804 0.000 0.775 424 T N -4.662 109.543 114.554 -0.582 0.000 3.035 424 T HA -0.055 4.349 4.350 0.089 0.000 0.268 424 T C 1.971 176.475 174.700 -0.326 0.000 1.109 424 T CA 1.087 62.989 62.100 -0.330 0.000 1.119 424 T CB -1.089 67.740 68.868 -0.065 0.000 0.900 424 T HN 0.009 nan 8.240 nan 0.000 0.503 425 S N -0.068 115.280 115.700 -0.587 0.000 2.399 425 S HA -0.009 4.514 4.470 0.089 0.000 0.231 425 S C 1.322 175.744 174.600 -0.296 0.000 1.022 425 S CA 0.761 58.544 58.200 -0.695 0.000 0.983 425 S CB -0.560 61.962 63.200 -1.130 0.000 0.803 425 S HN 0.559 nan 8.310 nan 0.000 0.480 426 F N 1.014 120.754 119.950 -0.350 0.000 2.164 426 F HA 0.312 4.891 4.527 0.086 0.000 0.287 426 F C 1.996 177.586 175.800 -0.349 0.000 1.086 426 F CA 0.604 58.330 58.000 -0.456 0.000 1.249 426 F CB -0.522 38.090 39.000 -0.647 0.000 1.059 426 F HN 0.096 nan 8.300 nan 0.000 0.490 427 L N 0.052 121.260 121.223 -0.025 0.000 2.127 427 L HA -0.240 4.153 4.340 0.089 0.000 0.211 427 L C 1.865 178.800 176.870 0.109 0.000 1.089 427 L CA 0.928 55.854 54.840 0.143 0.000 0.757 427 L CB -0.704 41.410 42.059 0.092 0.000 0.899 427 L HN 0.161 nan 8.230 nan 0.000 0.434 428 N N -0.390 118.207 118.700 -0.171 0.000 2.381 428 N HA -0.137 4.656 4.740 0.089 0.000 0.182 428 N C 1.926 177.278 175.510 -0.262 0.000 1.025 428 N CA 1.704 54.562 53.050 -0.321 0.000 0.888 428 N CB -0.353 37.542 38.487 -0.987 0.000 0.965 428 N HN 0.440 nan 8.380 nan 0.000 0.438 429 T N -2.376 111.988 114.554 -0.317 0.000 3.072 429 T HA 0.023 4.427 4.350 0.089 0.000 0.266 429 T C 1.367 175.939 174.700 -0.214 0.000 1.127 429 T CA 0.624 62.526 62.100 -0.331 0.000 1.107 429 T CB -0.015 68.373 68.868 -0.801 0.000 0.910 429 T HN -0.034 nan 8.240 nan 0.000 0.513 430 M N 0.436 119.966 119.600 -0.117 0.000 2.371 430 M HA 0.381 4.915 4.480 0.089 0.000 0.246 430 M C -0.144 176.177 176.300 0.036 0.000 1.103 430 M CA -0.352 54.844 55.300 -0.173 0.000 1.010 430 M CB -0.471 31.791 32.600 -0.563 0.000 1.457 430 M HN 0.220 nan 8.290 nan 0.000 0.486 431 L N 0.501 121.827 121.223 0.172 0.000 2.483 431 L HA 0.075 4.468 4.340 0.089 0.000 0.276 431 L C 1.744 178.675 176.870 0.101 0.000 1.213 431 L CA 0.615 55.593 54.840 0.230 0.000 0.843 431 L CB 0.210 42.388 42.059 0.198 0.000 1.107 431 L HN 0.229 nan 8.230 nan 0.000 0.487 432 S N 1.264 117.007 115.700 0.072 0.000 2.374 432 S HA -0.184 4.340 4.470 0.089 0.000 0.227 432 S C 0.943 175.552 174.600 0.014 0.000 1.037 432 S CA 1.734 59.935 58.200 0.003 0.000 1.024 432 S CB -0.250 62.949 63.200 -0.002 0.000 0.861 432 S HN 0.855 nan 8.310 nan 0.000 0.456 433 D N 0.517 120.941 120.400 0.040 0.000 2.342 433 D HA 0.155 4.848 4.640 0.089 0.000 0.221 433 D C 0.303 176.631 176.300 0.046 0.000 1.101 433 D CA -0.064 53.958 54.000 0.037 0.000 0.837 433 D CB -0.311 40.514 40.800 0.041 0.000 0.938 433 D HN 0.152 nan 8.370 nan 0.000 0.508 434 S N 0.223 115.960 115.700 0.061 0.000 2.549 434 S HA 0.150 4.673 4.470 0.089 0.000 0.279 434 S C 1.468 176.082 174.600 0.024 0.000 1.321 434 S CA -0.016 58.237 58.200 0.088 0.000 1.054 434 S CB 0.820 64.091 63.200 0.118 0.000 0.899 434 S HN 0.275 nan 8.310 nan 0.000 0.497 435 S N 3.709 119.412 115.700 0.004 0.000 2.515 435 S HA -0.033 4.490 4.470 0.089 0.000 0.231 435 S C 0.864 175.465 174.600 0.001 0.000 0.987 435 S CA 0.822 59.011 58.200 -0.018 0.000 0.936 435 S CB -0.581 62.581 63.200 -0.063 0.000 0.766 435 S HN 0.843 nan 8.310 nan 0.000 0.528 436 N N 1.636 120.310 118.700 -0.044 0.000 2.280 436 N HA 0.140 4.934 4.740 0.089 0.000 0.192 436 N C 0.035 175.420 175.510 -0.208 0.000 1.109 436 N CA -0.099 52.883 53.050 -0.114 0.000 0.855 436 N CB -0.024 38.318 38.487 -0.243 0.000 0.974 436 N HN 0.224 nan 8.380 nan 0.000 0.482 437 N N 1.338 119.928 118.700 -0.183 0.000 2.671 437 N HA -0.008 4.785 4.740 0.089 0.000 0.274 437 N C 0.374 175.625 175.510 -0.432 0.000 1.188 437 N CA 0.244 53.137 53.050 -0.262 0.000 1.065 437 N CB 0.188 38.575 38.487 -0.167 0.000 1.415 437 N HN 0.209 nan 8.380 nan 0.000 0.511 438 T N -1.251 113.029 114.554 -0.457 0.000 3.129 438 T HA 0.176 4.579 4.350 0.089 0.000 0.251 438 T C 1.509 176.039 174.700 -0.283 0.000 1.117 438 T CA 0.262 62.035 62.100 -0.545 0.000 1.034 438 T CB 0.232 68.770 68.868 -0.549 0.000 0.968 438 T HN 0.277 nan 8.240 nan 0.000 0.526 439 A N 1.256 123.947 122.820 -0.214 0.000 2.067 439 A HA 0.066 4.439 4.320 0.089 0.000 0.217 439 A C 1.010 178.626 177.584 0.053 0.000 1.156 439 A CA 0.418 52.445 52.037 -0.017 0.000 0.683 439 A CB -0.739 18.195 19.000 -0.110 0.000 0.808 439 A HN 0.727 nan 8.150 nan 0.000 0.455 440 H N -3.387 115.688 119.070 0.008 0.000 2.862 440 H HA -0.227 4.383 4.556 0.090 0.000 0.290 440 H C -0.445 174.889 175.328 0.009 0.000 1.211 440 H CA 1.060 57.105 56.048 -0.005 0.000 1.140 440 H CB -2.132 27.611 29.762 -0.032 0.000 1.341 440 H HN 0.698 nan 8.280 nan 0.000 0.392 441 Y N 1.675 121.914 120.300 -0.102 0.000 2.393 441 Y HA 0.376 4.980 4.550 0.089 0.000 0.338 441 Y C -0.025 175.808 175.900 -0.111 0.000 1.029 441 Y CA -0.403 57.618 58.100 -0.132 0.000 1.239 441 Y CB 0.653 38.969 38.460 -0.239 0.000 1.170 441 Y HN -0.015 nan 8.280 nan 0.000 0.515 442 K N 4.283 124.342 120.400 -0.568 0.000 2.572 442 K HA 0.345 4.719 4.320 0.089 0.000 0.244 442 K C -1.326 174.940 176.600 -0.556 0.000 0.965 442 K CA -0.386 55.644 56.287 -0.427 0.000 0.943 442 K CB 1.460 33.846 32.500 -0.190 0.000 1.154 442 K HN 0.449 nan 8.250 nan 0.000 0.447 443 S N 3.682 119.056 115.700 -0.544 0.000 2.756 443 S HA 0.423 4.946 4.470 0.089 0.000 0.303 443 S C -2.140 172.440 174.600 -0.033 0.000 1.135 443 S CA -1.683 56.336 58.200 -0.302 0.000 1.066 443 S CB 0.920 63.937 63.200 -0.305 0.000 1.008 443 S HN 0.217 nan 8.310 nan 0.000 0.482 444 P HA -0.018 nan 4.420 nan 0.000 0.216 444 P C 1.456 178.787 177.300 0.052 0.000 1.150 444 P CA 1.417 64.530 63.100 0.022 0.000 0.837 444 P CB 0.083 31.785 31.700 0.004 0.000 0.786 445 A N -0.995 121.864 122.820 0.065 0.000 1.902 445 A HA -0.200 4.174 4.320 0.089 0.000 0.217 445 A C 2.140 179.793 177.584 0.115 0.000 1.181 445 A CA 1.450 53.535 52.037 0.079 0.000 0.623 445 A CB -1.827 17.226 19.000 0.089 0.000 0.818 445 A HN 0.177 nan 8.150 nan 0.000 0.443 446 F N 1.213 121.192 119.950 0.048 0.000 2.113 446 F HA -0.154 4.426 4.527 0.088 0.000 0.297 446 F C 1.709 177.551 175.800 0.069 0.000 1.103 446 F CA 2.038 60.093 58.000 0.091 0.000 1.248 446 F CB -0.189 38.923 39.000 0.186 0.000 0.999 446 F HN 0.228 nan 8.300 nan 0.000 0.475 447 D N 0.412 120.921 120.400 0.182 0.000 2.149 447 D HA -0.214 4.480 4.640 0.089 0.000 0.198 447 D C 2.130 178.420 176.300 -0.016 0.000 0.990 447 D CA 1.423 55.474 54.000 0.085 0.000 0.839 447 D CB -0.397 40.471 40.800 0.113 0.000 0.948 447 D HN 0.332 nan 8.370 nan 0.000 0.460 448 K N 0.310 120.703 120.400 -0.011 0.000 2.097 448 K HA -0.028 4.346 4.320 0.089 0.000 0.205 448 K C 2.150 178.714 176.600 -0.059 0.000 1.050 448 K CA 0.458 56.734 56.287 -0.019 0.000 0.938 448 K CB -0.056 32.442 32.500 -0.003 0.000 0.718 448 K HN 0.083 nan 8.250 nan 0.000 0.442 449 L N 0.928 122.084 121.223 -0.112 0.000 2.046 449 L HA -0.209 4.185 4.340 0.089 0.000 0.208 449 L C 2.249 179.030 176.870 -0.149 0.000 1.077 449 L CA 0.718 55.474 54.840 -0.140 0.000 0.747 449 L CB -0.406 41.539 42.059 -0.191 0.000 0.896 449 L HN 0.238 nan 8.230 nan 0.000 0.432 450 I N 0.110 120.549 120.570 -0.219 0.000 2.315 450 I HA -0.200 4.023 4.170 0.089 0.000 0.248 450 I C 2.854 178.971 176.117 -0.000 0.000 1.117 450 I CA 1.444 62.681 61.300 -0.105 0.000 1.404 450 I CB -1.591 36.306 38.000 -0.171 0.000 1.071 450 I HN 0.161 nan 8.210 nan 0.000 0.419 451 A N 0.797 123.618 122.820 0.001 0.000 1.940 451 A HA -0.224 4.150 4.320 0.089 0.000 0.219 451 A C 1.920 179.504 177.584 -0.000 0.000 1.176 451 A CA 1.984 54.038 52.037 0.028 0.000 0.631 451 A CB -0.630 18.385 19.000 0.026 0.000 0.814 451 A HN 0.353 nan 8.150 nan 0.000 0.446 452 D N -0.480 119.908 120.400 -0.020 0.000 2.264 452 D HA -0.097 4.597 4.640 0.089 0.000 0.208 452 D C 2.207 178.481 176.300 -0.043 0.000 0.966 452 D CA 1.703 55.684 54.000 -0.032 0.000 0.864 452 D CB -0.529 40.245 40.800 -0.044 0.000 0.933 452 D HN 0.666 nan 8.370 nan 0.000 0.499 453 T N -1.509 113.022 114.554 -0.039 0.000 2.915 453 T HA -0.071 4.332 4.350 0.089 0.000 0.269 453 T C 1.896 176.591 174.700 -0.009 0.000 1.071 453 T CA 0.617 62.684 62.100 -0.055 0.000 1.132 453 T CB -0.253 68.602 68.868 -0.022 0.000 0.878 453 T HN 0.163 nan 8.240 nan 0.000 0.479 454 L N -0.645 120.572 121.223 -0.009 0.000 2.607 454 L HA 0.355 4.749 4.340 0.089 0.000 0.228 454 L C 2.395 179.240 176.870 -0.041 0.000 1.123 454 L CA 0.206 55.023 54.840 -0.039 0.000 0.890 454 L CB -0.017 41.956 42.059 -0.142 0.000 1.103 454 L HN 0.167 nan 8.230 nan 0.000 0.468 455 K N 0.167 120.549 120.400 -0.030 0.000 2.361 455 K HA 0.104 4.478 4.320 0.089 0.000 0.194 455 K C 0.458 177.050 176.600 -0.014 0.000 1.032 455 K CA 0.137 56.412 56.287 -0.020 0.000 1.048 455 K CB 0.814 33.303 32.500 -0.019 0.000 0.842 455 K HN 0.168 nan 8.250 nan 0.000 0.526 456 V N -2.354 117.549 119.914 -0.019 0.000 2.713 456 V HA 0.669 4.843 4.120 0.089 0.000 0.307 456 V C -0.058 176.035 176.094 -0.001 0.000 1.052 456 V CA -0.750 61.540 62.300 -0.016 0.000 0.967 456 V CB 1.589 33.389 31.823 -0.037 0.000 1.019 456 V HN -0.028 nan 8.190 nan 0.000 0.459 457 A N 2.388 125.214 122.820 0.011 0.000 2.855 457 A HA 0.473 4.847 4.320 0.089 0.000 0.301 457 A C 0.050 177.649 177.584 0.025 0.000 1.076 457 A CA -0.190 51.866 52.037 0.031 0.000 1.004 457 A CB -0.671 18.364 19.000 0.058 0.000 1.152 457 A HN 0.952 nan 8.150 nan 0.000 0.531 458 D N -0.171 120.231 120.400 0.004 0.000 2.696 458 D HA 0.181 4.874 4.640 0.089 0.000 0.251 458 D C -0.780 175.510 176.300 -0.016 0.000 1.188 458 D CA -0.303 53.697 54.000 -0.000 0.000 0.876 458 D CB 1.581 42.376 40.800 -0.009 0.000 1.334 458 D HN 0.077 nan 8.370 nan 0.000 0.540 459 D N 1.956 122.356 120.400 0.000 0.000 2.312 459 D HA -0.070 4.624 4.640 0.089 0.000 0.211 459 D C 1.602 177.882 176.300 -0.033 0.000 0.964 459 D CA 0.929 54.926 54.000 -0.006 0.000 0.877 459 D CB 0.317 41.134 40.800 0.029 0.000 0.924 459 D HN 0.399 nan 8.370 nan 0.000 0.515 460 T N 1.202 115.739 114.554 -0.028 0.000 2.896 460 T HA -0.102 4.301 4.350 0.089 0.000 0.263 460 T C 1.896 176.554 174.700 -0.069 0.000 1.050 460 T CA 0.757 62.836 62.100 -0.036 0.000 1.140 460 T CB 0.018 68.874 68.868 -0.019 0.000 0.877 460 T HN 0.328 nan 8.240 nan 0.000 0.457 461 Q N 0.957 120.711 119.800 -0.077 0.000 2.245 461 Q HA 0.088 4.482 4.340 0.089 0.000 0.201 461 Q C 2.259 178.145 176.000 -0.190 0.000 0.955 461 Q CA 0.585 56.327 55.803 -0.102 0.000 0.870 461 Q CB -0.226 28.466 28.738 -0.077 0.000 0.945 461 Q HN 0.430 nan 8.270 nan 0.000 0.461 462 R N 1.052 121.412 120.500 -0.233 0.000 2.073 462 R HA -0.066 4.328 4.340 0.089 0.000 0.234 462 R C 2.538 178.375 176.300 -0.773 0.000 1.134 462 R CA 1.662 57.471 56.100 -0.485 0.000 0.952 462 R CB -0.172 29.899 30.300 -0.382 0.000 0.850 462 R HN 0.154 nan 8.270 nan 0.000 0.433 463 S N 0.637 116.096 115.700 -0.402 0.000 2.382 463 S HA -0.149 4.374 4.470 0.089 0.000 0.228 463 S C 1.660 176.187 174.600 -0.123 0.000 1.027 463 S CA 1.268 59.363 58.200 -0.176 0.000 0.991 463 S CB -0.091 63.093 63.200 -0.027 0.000 0.823 463 S HN 0.373 nan 8.310 nan 0.000 0.469 464 E N 0.654 120.772 120.200 -0.136 0.000 2.106 464 E HA -0.042 4.361 4.350 0.089 0.000 0.192 464 E C 1.962 178.504 176.600 -0.095 0.000 0.984 464 E CA 0.743 57.094 56.400 -0.082 0.000 0.806 464 E CB -0.185 29.477 29.700 -0.064 0.000 0.750 464 E HN 0.420 nan 8.360 nan 0.000 0.458 465 L N 0.037 121.148 121.223 -0.186 0.000 2.093 465 L HA -0.174 4.220 4.340 0.089 0.000 0.208 465 L C 2.220 179.047 176.870 -0.072 0.000 1.085 465 L CA 0.828 55.572 54.840 -0.159 0.000 0.755 465 L CB -0.409 41.521 42.059 -0.214 0.000 0.904 465 L HN 0.161 nan 8.230 nan 0.000 0.435 466 Y N 0.104 120.372 120.300 -0.053 0.000 2.181 466 Y HA -0.204 4.400 4.550 0.089 0.000 0.288 466 Y C 2.667 178.548 175.900 -0.032 0.000 1.146 466 Y CA 0.648 58.714 58.100 -0.056 0.000 1.164 466 Y CB -1.288 37.134 38.460 -0.064 0.000 0.982 466 Y HN 0.115 nan 8.280 nan 0.000 0.515 467 A N 0.201 123.096 122.820 0.124 0.000 1.933 467 A HA -0.149 4.225 4.320 0.089 0.000 0.218 467 A C 2.190 179.813 177.584 0.064 0.000 1.175 467 A CA 1.503 53.584 52.037 0.073 0.000 0.628 467 A CB -0.350 18.673 19.000 0.039 0.000 0.814 467 A HN 0.153 nan 8.150 nan 0.000 0.444 468 K N 0.238 120.664 120.400 0.044 0.000 2.148 468 K HA 0.089 4.462 4.320 0.089 0.000 0.204 468 K C 2.132 178.778 176.600 0.077 0.000 1.050 468 K CA 1.276 57.590 56.287 0.045 0.000 0.942 468 K CB -1.055 31.454 32.500 0.015 0.000 0.724 468 K HN 0.437 nan 8.250 nan 0.000 0.446 469 A N 1.788 124.650 122.820 0.069 0.000 1.877 469 A HA -0.154 4.219 4.320 0.089 0.000 0.216 469 A C 2.059 179.816 177.584 0.289 0.000 1.186 469 A CA 1.367 53.463 52.037 0.098 0.000 0.620 469 A CB -0.264 18.677 19.000 -0.099 0.000 0.822 469 A HN 0.204 nan 8.150 nan 0.000 0.443 470 E N -0.076 120.244 120.200 0.200 0.000 2.110 470 E HA -0.217 4.186 4.350 0.089 0.000 0.193 470 E C 2.169 178.855 176.600 0.143 0.000 0.988 470 E CA 1.355 57.855 56.400 0.167 0.000 0.804 470 E CB -0.353 29.408 29.700 0.102 0.000 0.745 470 E HN 0.769 nan 8.360 nan 0.000 0.458 471 Q N 0.171 120.047 119.800 0.127 0.000 2.124 471 Q HA -0.207 4.187 4.340 0.089 0.000 0.202 471 Q C 2.183 178.263 176.000 0.134 0.000 0.977 471 Q CA 1.337 57.208 55.803 0.114 0.000 0.850 471 Q CB -0.047 28.742 28.738 0.085 0.000 0.901 471 Q HN 0.080 nan 8.270 nan 0.000 0.429 472 Q N 0.668 120.574 119.800 0.176 0.000 2.079 472 Q HA -0.154 4.240 4.340 0.089 0.000 0.200 472 Q C 1.777 177.887 176.000 0.183 0.000 0.974 472 Q CA 1.130 57.060 55.803 0.211 0.000 0.840 472 Q CB -0.272 28.655 28.738 0.315 0.000 0.898 472 Q HN 0.296 nan 8.270 nan 0.000 0.430 473 L N 0.606 121.917 121.223 0.146 0.000 2.046 473 L HA -0.135 4.258 4.340 0.089 0.000 0.208 473 L C 1.770 178.594 176.870 -0.078 0.000 1.077 473 L CA 2.328 57.094 54.840 -0.123 0.000 0.747 473 L CB -0.816 41.110 42.059 -0.223 0.000 0.896 473 L HN 0.359 nan 8.230 nan 0.000 0.432 474 D N -0.808 119.615 120.400 0.038 0.000 2.097 474 D HA -0.249 4.444 4.640 0.089 0.000 0.195 474 D C 2.267 178.623 176.300 0.094 0.000 0.989 474 D CA 1.378 55.439 54.000 0.101 0.000 0.827 474 D CB -0.037 40.883 40.800 0.199 0.000 0.966 474 D HN 0.227 nan 8.370 nan 0.000 0.456 475 K N -0.151 120.309 120.400 0.100 0.000 2.063 475 K HA -0.161 4.213 4.320 0.089 0.000 0.208 475 K C 1.041 177.682 176.600 0.067 0.000 1.048 475 K CA 1.688 58.031 56.287 0.093 0.000 0.928 475 K CB -0.002 32.559 32.500 0.102 0.000 0.713 475 K HN 0.145 nan 8.250 nan 0.000 0.442 476 D N 0.135 120.576 120.400 0.067 0.000 2.347 476 D HA -0.008 4.686 4.640 0.089 0.000 0.215 476 D C 0.010 176.315 176.300 0.008 0.000 0.976 476 D CA 0.423 54.467 54.000 0.073 0.000 0.884 476 D CB 0.224 41.138 40.800 0.190 0.000 0.915 476 D HN 0.035 nan 8.370 nan 0.000 0.526 477 S N -0.312 115.365 115.700 -0.038 0.000 3.631 477 S HA -0.261 4.262 4.470 0.089 0.000 0.366 477 S C 1.423 175.954 174.600 -0.115 0.000 0.993 477 S CA 0.281 58.435 58.200 -0.077 0.000 1.167 477 S CB -1.137 62.021 63.200 -0.070 0.000 0.909 477 S HN 0.520 nan 8.310 nan 0.000 0.478 478 A N 0.072 122.747 122.820 -0.240 0.000 1.978 478 A HA 0.224 4.598 4.320 0.089 0.000 0.220 478 A C 0.981 178.412 177.584 -0.255 0.000 1.170 478 A CA 1.563 53.386 52.037 -0.358 0.000 0.636 478 A CB -0.477 17.941 19.000 -0.969 0.000 0.810 478 A HN 1.093 nan 8.150 nan 0.000 0.448 479 I N -6.028 114.407 120.570 -0.223 0.000 3.343 479 I HA 0.651 4.875 4.170 0.089 0.000 0.315 479 I C -1.142 174.984 176.117 0.016 0.000 1.153 479 I CA -1.333 59.913 61.300 -0.089 0.000 0.952 479 I CB 2.280 40.151 38.000 -0.216 0.000 1.287 479 I HN -0.268 nan 8.210 nan 0.000 0.472 480 V N 2.319 122.335 119.914 0.169 0.000 2.305 480 V HA 0.408 4.581 4.120 0.089 0.000 0.275 480 V C -2.422 173.827 176.094 0.257 0.000 1.020 480 V CA -1.501 60.936 62.300 0.228 0.000 0.811 480 V CB 0.717 32.781 31.823 0.402 0.000 1.031 480 V HN 0.568 nan 8.190 nan 0.000 0.439 481 P HA 0.190 nan 4.420 nan 0.000 0.268 481 P C 0.437 177.829 177.300 0.153 0.000 1.204 481 P CA 0.370 63.553 63.100 0.138 0.000 0.768 481 P CB 1.726 33.475 31.700 0.082 0.000 0.842 482 V N 2.696 122.659 119.914 0.081 0.000 3.001 482 V HA 0.186 4.359 4.120 0.089 0.000 0.228 482 V C 0.037 176.149 176.094 0.031 0.000 1.204 482 V CA 1.056 63.412 62.300 0.093 0.000 1.247 482 V CB -0.532 31.351 31.823 0.101 0.000 1.093 482 V HN 0.569 nan 8.190 nan 0.000 0.504 483 Y N -2.310 117.926 120.300 -0.107 0.000 2.625 483 Y HA 0.764 5.367 4.550 0.088 0.000 0.338 483 Y C -1.632 174.140 175.900 -0.212 0.000 1.123 483 Y CA -2.349 55.607 58.100 -0.240 0.000 1.046 483 Y CB 0.765 39.106 38.460 -0.198 0.000 1.299 483 Y HN 0.076 nan 8.280 nan 0.000 0.464 484 Y N 1.407 121.915 120.300 0.346 0.000 2.326 484 Y HA 0.417 5.021 4.550 0.090 0.000 0.337 484 Y C -0.474 175.738 175.900 0.520 0.000 1.023 484 Y CA -1.174 57.127 58.100 0.334 0.000 1.143 484 Y CB 0.206 38.829 38.460 0.272 0.000 1.183 484 Y HN 0.560 nan 8.280 nan 0.000 0.485 485 Y N 1.689 122.311 120.300 0.537 0.000 2.426 485 Y HA 0.338 4.942 4.550 0.090 0.000 0.344 485 Y C 0.502 176.626 175.900 0.374 0.000 1.256 485 Y CA -0.626 57.767 58.100 0.489 0.000 1.451 485 Y CB 0.539 39.261 38.460 0.437 0.000 1.342 485 Y HN 0.382 nan 8.280 nan 0.000 0.600 486 V N 0.263 120.432 119.914 0.425 0.000 2.581 486 V HA 0.456 4.629 4.120 0.089 0.000 0.303 486 V C -0.447 175.811 176.094 0.272 0.000 1.041 486 V CA -1.329 61.119 62.300 0.246 0.000 0.907 486 V CB 1.759 33.624 31.823 0.070 0.000 0.994 486 V HN 0.731 nan 8.190 nan 0.000 0.442 487 N N 2.949 121.694 118.700 0.075 0.000 2.415 487 N HA 0.555 5.348 4.740 0.089 0.000 0.246 487 N C -0.344 175.085 175.510 -0.136 0.000 1.078 487 N CA 0.181 53.084 53.050 -0.244 0.000 0.942 487 N CB 1.040 39.130 38.487 -0.661 0.000 1.140 487 N HN 1.168 nan 8.380 nan 0.000 0.501 488 A N 4.207 126.970 122.820 -0.095 0.000 2.287 488 A HA 0.814 5.188 4.320 0.089 0.000 0.317 488 A C -0.271 177.262 177.584 -0.084 0.000 1.220 488 A CA -0.697 51.302 52.037 -0.063 0.000 0.835 488 A CB 0.681 19.621 19.000 -0.101 0.000 1.180 488 A HN 0.839 nan 8.150 nan 0.000 0.500 489 R N 1.327 121.788 120.500 -0.065 0.000 2.733 489 R HA 0.745 5.139 4.340 0.089 0.000 0.272 489 R C -1.802 174.410 176.300 -0.148 0.000 1.029 489 R CA -0.951 55.077 56.100 -0.119 0.000 0.888 489 R CB 0.930 31.137 30.300 -0.155 0.000 1.251 489 R HN 0.404 nan 8.270 nan 0.000 0.464 490 L N 1.246 122.296 121.223 -0.288 0.000 2.309 490 L HA 0.718 5.111 4.340 0.089 0.000 0.282 490 L C -0.754 175.919 176.870 -0.327 0.000 1.036 490 L CA -1.332 53.232 54.840 -0.461 0.000 0.806 490 L CB 1.952 43.373 42.059 -1.064 0.000 1.220 490 L HN 0.337 nan 8.230 nan 0.000 0.429 491 V N 2.919 122.750 119.914 -0.137 0.000 2.577 491 V HA 0.331 4.504 4.120 0.089 0.000 0.303 491 V C -0.018 176.021 176.094 -0.091 0.000 1.042 491 V CA -1.131 61.133 62.300 -0.060 0.000 0.872 491 V CB 1.929 33.725 31.823 -0.045 0.000 0.998 491 V HN 0.597 nan 8.190 nan 0.000 0.423 492 K N 5.736 125.988 120.400 -0.247 0.000 2.440 492 K HA 0.159 4.532 4.320 0.089 0.000 0.270 492 K C -1.402 174.750 176.600 -0.745 0.000 0.980 492 K CA -1.486 54.310 56.287 -0.818 0.000 0.953 492 K CB 0.814 32.243 32.500 -1.785 0.000 0.925 492 K HN 0.350 nan 8.250 nan 0.000 0.497 493 P HA -0.120 nan 4.420 nan 0.000 0.222 493 P C 0.682 177.852 177.300 -0.217 0.000 1.147 493 P CA 1.296 64.190 63.100 -0.343 0.000 0.790 493 P CB -0.094 31.494 31.700 -0.188 0.000 0.780 494 W N -0.730 120.473 121.300 -0.161 0.000 3.345 494 W HA 0.389 5.103 4.660 0.089 0.000 0.282 494 W C -0.313 176.123 176.519 -0.139 0.000 1.302 494 W CA -0.441 56.809 57.345 -0.157 0.000 1.724 494 W CB -1.131 28.130 29.460 -0.331 0.000 1.104 494 W HN -0.387 nan 8.180 nan 0.000 0.694 495 V N 3.078 122.881 119.914 -0.185 0.000 2.353 495 V HA 0.593 4.767 4.120 0.089 0.000 0.264 495 V C 0.918 176.866 176.094 -0.242 0.000 1.049 495 V CA -0.311 61.893 62.300 -0.160 0.000 0.896 495 V CB 0.049 31.752 31.823 -0.201 0.000 1.025 495 V HN 0.224 nan 8.190 nan 0.000 0.475 496 G N 2.687 111.177 108.800 -0.517 0.000 2.488 496 G HA2 0.559 4.572 3.960 0.089 0.000 0.318 496 G HA3 0.559 4.572 3.960 0.089 0.000 0.318 496 G C 0.863 175.319 174.900 -0.739 0.000 1.188 496 G CA 0.090 44.715 45.100 -0.792 0.000 0.944 496 G HN 1.453 nan 8.290 nan 0.000 0.495 497 G N -1.609 107.001 108.800 -0.318 0.000 2.175 497 G HA2 -0.259 3.755 3.960 0.089 0.000 0.244 497 G HA3 -0.259 3.755 3.960 0.089 0.000 0.244 497 G C 0.132 175.087 174.900 0.091 0.000 0.982 497 G CA 0.742 45.837 45.100 -0.009 0.000 0.641 497 G HN 1.187 nan 8.290 nan 0.000 0.527 498 Y N 2.822 123.067 120.300 -0.093 0.000 2.454 498 Y HA 0.507 5.118 4.550 0.102 0.000 0.345 498 Y C 1.699 177.569 175.900 -0.050 0.000 0.970 498 Y CA 0.047 58.108 58.100 -0.065 0.000 1.204 498 Y CB 1.023 39.426 38.460 -0.096 0.000 1.122 498 Y HN 0.272 nan 8.280 nan 0.000 0.514 499 T N 0.700 115.102 114.554 -0.254 0.000 2.978 499 T HA 0.147 4.551 4.350 0.089 0.000 0.262 499 T C 1.654 176.079 174.700 -0.458 0.000 1.063 499 T CA 0.828 62.767 62.100 -0.268 0.000 1.140 499 T CB -0.471 68.321 68.868 -0.127 0.000 0.886 499 T HN 1.257 nan 8.240 nan 0.000 0.470 500 G N 1.351 109.697 108.800 -0.755 0.000 2.184 500 G HA2 -0.298 3.715 3.960 0.089 0.000 0.264 500 G HA3 -0.298 3.715 3.960 0.089 0.000 0.264 500 G C 0.880 175.608 174.900 -0.288 0.000 0.975 500 G CA 0.596 45.328 45.100 -0.613 0.000 0.642 500 G HN 0.555 nan 8.290 nan 0.000 0.536 501 K N -0.035 120.241 120.400 -0.206 0.000 2.296 501 K HA 0.008 4.381 4.320 0.089 0.000 0.200 501 K C 0.657 177.207 176.600 -0.083 0.000 1.048 501 K CA 0.538 56.755 56.287 -0.116 0.000 0.966 501 K CB 0.074 32.523 32.500 -0.085 0.000 0.754 501 K HN 0.405 nan 8.250 nan 0.000 0.466 502 D N 1.320 121.675 120.400 -0.076 0.000 2.325 502 D HA 0.026 4.719 4.640 0.089 0.000 0.251 502 D C -1.738 174.574 176.300 0.019 0.000 1.196 502 D CA -2.295 51.691 54.000 -0.022 0.000 0.866 502 D CB 1.448 42.255 40.800 0.011 0.000 1.101 502 D HN -0.067 nan 8.370 nan 0.000 0.476 503 P HA -0.031 nan 4.420 nan 0.000 0.233 503 P C 1.117 178.552 177.300 0.225 0.000 1.167 503 P CA 0.554 63.742 63.100 0.146 0.000 0.770 503 P CB 0.371 32.160 31.700 0.148 0.000 0.837 504 L N -1.183 120.132 121.223 0.152 0.000 2.585 504 L HA 0.173 4.566 4.340 0.089 0.000 0.226 504 L C 0.431 177.404 176.870 0.172 0.000 1.113 504 L CA 0.093 55.021 54.840 0.147 0.000 0.876 504 L CB -0.835 41.273 42.059 0.082 0.000 1.072 504 L HN -0.030 nan 8.230 nan 0.000 0.468 505 D N 1.477 121.949 120.400 0.121 0.000 2.699 505 D HA -0.205 4.489 4.640 0.089 0.000 0.239 505 D C -0.023 176.299 176.300 0.036 0.000 1.136 505 D CA 0.282 54.319 54.000 0.061 0.000 0.668 505 D CB -0.860 39.922 40.800 -0.030 0.000 1.060 505 D HN 0.117 nan 8.370 nan 0.000 0.429 506 N N 1.110 119.832 118.700 0.036 0.000 3.124 506 N HA 0.192 4.986 4.740 0.089 0.000 0.284 506 N C 0.187 175.633 175.510 -0.106 0.000 1.209 506 N CA -0.040 52.978 53.050 -0.053 0.000 1.149 506 N CB -0.010 38.500 38.487 0.039 0.000 1.434 506 N HN 0.497 nan 8.380 nan 0.000 0.529 507 I N 1.477 121.975 120.570 -0.120 0.000 2.575 507 I HA 0.071 4.294 4.170 0.089 0.000 0.285 507 I C -0.245 175.727 176.117 -0.242 0.000 1.085 507 I CA -0.167 61.100 61.300 -0.056 0.000 1.403 507 I CB 0.353 38.320 38.000 -0.055 0.000 1.409 507 I HN 0.177 nan 8.210 nan 0.000 0.557 508 Y N 4.141 124.479 120.300 0.062 0.000 2.350 508 Y HA 0.242 4.841 4.550 0.082 0.000 0.338 508 Y C 0.800 176.738 175.900 0.063 0.000 0.961 508 Y CA -0.743 57.395 58.100 0.064 0.000 1.100 508 Y CB 1.583 40.089 38.460 0.077 0.000 1.179 508 Y HN 0.257 nan 8.280 nan 0.000 0.454 509 V N 2.946 122.953 119.914 0.155 0.000 2.720 509 V HA -0.290 3.883 4.120 0.089 0.000 0.256 509 V C 2.039 178.276 176.094 0.238 0.000 1.082 509 V CA 2.130 64.477 62.300 0.079 0.000 1.101 509 V CB -0.550 31.166 31.823 -0.178 0.000 0.693 509 V HN 0.813 nan 8.190 nan 0.000 0.479 510 K N 0.367 120.984 120.400 0.361 0.000 2.442 510 K HA -0.161 4.213 4.320 0.089 0.000 0.198 510 K C 1.229 177.939 176.600 0.182 0.000 1.044 510 K CA 1.675 58.110 56.287 0.247 0.000 0.948 510 K CB -0.272 32.271 32.500 0.072 0.000 0.762 510 K HN 0.413 nan 8.250 nan 0.000 0.472 511 N N 0.506 119.326 118.700 0.200 0.000 2.236 511 N HA 0.168 4.961 4.740 0.089 0.000 0.196 511 N C 0.065 175.703 175.510 0.212 0.000 1.114 511 N CA 0.159 53.325 53.050 0.193 0.000 0.859 511 N CB 0.321 38.926 38.487 0.198 0.000 0.982 511 N HN 0.169 nan 8.380 nan 0.000 0.493 512 L N 0.429 121.754 121.223 0.171 0.000 2.400 512 L HA 0.464 4.858 4.340 0.089 0.000 0.264 512 L C -0.636 176.340 176.870 0.177 0.000 1.061 512 L CA -1.152 53.737 54.840 0.081 0.000 0.799 512 L CB 0.803 42.858 42.059 -0.007 0.000 1.240 512 L HN 0.085 nan 8.230 nan 0.000 0.461 513 Y N -1.094 119.257 120.300 0.085 0.000 2.592 513 Y HA 0.619 5.213 4.550 0.073 0.000 0.334 513 Y C -1.330 174.638 175.900 0.112 0.000 1.136 513 Y CA -1.458 56.695 58.100 0.089 0.000 1.042 513 Y CB 0.886 39.394 38.460 0.079 0.000 1.325 513 Y HN 0.129 nan 8.280 nan 0.000 0.457 514 I N 4.354 125.087 120.570 0.271 0.000 2.336 514 I HA 0.361 4.584 4.170 0.089 0.000 0.292 514 I C 0.133 176.440 176.117 0.317 0.000 0.991 514 I CA -1.231 60.221 61.300 0.254 0.000 1.227 514 I CB 1.039 39.171 38.000 0.219 0.000 1.366 514 I HN 0.663 nan 8.210 nan 0.000 0.466 515 I N 5.648 126.418 120.570 0.333 0.000 2.575 515 I HA 0.105 4.328 4.170 0.089 0.000 0.285 515 I C 1.042 177.328 176.117 0.280 0.000 1.085 515 I CA -0.546 60.941 61.300 0.311 0.000 1.403 515 I CB 0.464 38.642 38.000 0.295 0.000 1.409 515 I HN 0.471 nan 8.210 nan 0.000 0.557 516 K N 7.269 127.772 120.400 0.173 0.000 2.448 516 K HA 0.061 4.434 4.320 0.089 0.000 0.278 516 K C -0.649 176.018 176.600 0.112 0.000 1.009 516 K CA 0.490 56.820 56.287 0.071 0.000 0.995 516 K CB 0.298 32.808 32.500 0.017 0.000 0.917 516 K HN 0.839 nan 8.250 nan 0.000 0.481 517 H N 0.000 118.996 119.070 -0.123 0.000 2.539 517 H HA 0.000 4.610 4.556 0.090 0.000 0.296 517 H CA 0.000 55.966 56.048 -0.136 0.000 1.023 517 H CB 0.000 29.637 29.762 -0.208 0.000 1.292 517 H HN 0.000 nan 8.280 nan 0.000 0.496