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 2boa_1_B DATA FIRST_RESID 4 DATA SEQUENCE REKFFGDQVL RINVRNGDEI SKLSQLSNNL KLNFWKSPXX XXSSFNRPVD DATA SEQUENCE VLVPSVSLQA FKSFLRSQGL EYAVTIEDLQ ALLDNEDDEM QHNEGQXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXERS DATA SEQUENCE SNNFNYGAYH SLEAIYHEMD NIAADFPDLA RRVKIGHSFE NRPMYVLKFS DATA SEQUENCE TKGVRRPAVW LNAGIHSREW ISQATAIWTA RKIVSDYQRD PAITSILEKM DATA SEQUENCE DIFLLPVANP DGYVYTQTQN RLWRKTRSRN PGSScIGADP NRNWNASFAG DATA SEQUENCE KGASDNPcSE VYHGPHANSE VEVKSVVDFI QKHGNFKGFI DLHSYSQLLM DATA SEQUENCE YPYGYSVKKA PDAEELDKVA RLAAKALASV SGTEYQVGPT CTTVYPASGS DATA SEQUENCE SIDWAYDNGI KFAFTFELRD TGTYGFLLPA NQIIPTAEET WLGLKTIMEH DATA SEQUENCE VRDNLY 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.203 176.300 -0.162 0.000 0.893 4 R CA 0.000 56.026 56.100 -0.123 0.000 0.921 4 R CB 0.000 30.244 30.300 -0.093 0.000 0.687 5 E N 3.340 123.414 120.200 -0.209 0.000 2.608 5 E HA -0.025 4.325 4.350 0.001 0.000 0.259 5 E C -0.827 175.399 176.600 -0.624 0.000 0.951 5 E CA 0.696 56.880 56.400 -0.359 0.000 0.945 5 E CB 0.599 30.126 29.700 -0.288 0.000 0.916 5 E HN 0.233 nan 8.360 nan 0.000 0.477 6 K N 3.546 123.511 120.400 -0.724 0.000 2.208 6 K HA 0.335 4.656 4.320 0.001 0.000 0.247 6 K C -0.631 175.342 176.600 -1.045 0.000 0.953 6 K CA -0.620 55.196 56.287 -0.784 0.000 0.837 6 K CB 0.908 33.191 32.500 -0.362 0.000 1.131 6 K HN 0.468 nan 8.250 nan 0.000 0.431 7 F N 1.023 120.812 119.950 -0.270 0.000 2.818 7 F HA 0.329 4.858 4.527 0.002 0.000 0.369 7 F C -0.076 175.649 175.800 -0.125 0.000 1.327 7 F CA -0.711 57.208 58.000 -0.136 0.000 1.211 7 F CB -0.119 38.831 39.000 -0.084 0.000 1.036 7 F HN 0.319 nan 8.300 nan 0.000 0.510 8 F N 1.203 121.193 119.950 0.067 0.000 2.557 8 F HA 0.359 4.886 4.527 0.001 0.000 0.384 8 F C 1.514 177.344 175.800 0.049 0.000 1.057 8 F CA 0.670 58.700 58.000 0.049 0.000 1.169 8 F CB 0.321 39.327 39.000 0.009 0.000 1.070 8 F HN 0.496 nan 8.300 nan 0.000 0.554 9 G N 2.077 111.017 108.800 0.232 0.000 2.162 9 G HA2 -0.286 3.675 3.960 0.001 0.000 0.260 9 G HA3 -0.286 3.675 3.960 0.001 0.000 0.260 9 G C -0.190 174.767 174.900 0.094 0.000 0.976 9 G CA -0.217 44.967 45.100 0.139 0.000 0.655 9 G HN 0.554 nan 8.290 nan 0.000 0.533 10 D N 0.726 121.188 120.400 0.103 0.000 2.372 10 D HA 0.533 5.174 4.640 0.001 0.000 0.243 10 D C 0.769 177.067 176.300 -0.003 0.000 1.121 10 D CA 0.528 54.567 54.000 0.064 0.000 0.898 10 D CB 0.635 41.511 40.800 0.127 0.000 1.202 10 D HN 0.498 nan 8.370 nan 0.000 0.428 11 Q N 0.110 119.879 119.800 -0.052 0.000 2.372 11 Q HA 0.523 4.864 4.340 0.001 0.000 0.273 11 Q C -1.214 174.669 176.000 -0.197 0.000 1.078 11 Q CA -1.010 54.733 55.803 -0.099 0.000 0.806 11 Q CB 2.656 31.368 28.738 -0.043 0.000 1.332 11 Q HN 0.157 nan 8.270 nan 0.000 0.435 12 V N 3.501 123.246 119.914 -0.281 0.000 2.383 12 V HA 0.387 4.508 4.120 0.001 0.000 0.275 12 V C -0.277 175.714 176.094 -0.172 0.000 1.036 12 V CA -0.454 61.618 62.300 -0.379 0.000 0.889 12 V CB 0.607 32.032 31.823 -0.663 0.000 0.985 12 V HN 0.546 nan 8.190 nan 0.000 0.459 13 L N 5.179 126.353 121.223 -0.082 0.000 2.329 13 L HA 0.655 4.995 4.340 0.001 0.000 0.279 13 L C 0.058 176.970 176.870 0.071 0.000 1.014 13 L CA -0.689 54.170 54.840 0.031 0.000 0.814 13 L CB 1.971 44.060 42.059 0.051 0.000 1.257 13 L HN 0.597 nan 8.230 nan 0.000 0.424 14 R N 3.360 123.916 120.500 0.093 0.000 2.229 14 R HA 0.648 4.989 4.340 0.001 0.000 0.332 14 R C -1.245 175.128 176.300 0.122 0.000 0.989 14 R CA -0.339 55.817 56.100 0.093 0.000 0.842 14 R CB 0.817 31.153 30.300 0.059 0.000 1.119 14 R HN 0.585 nan 8.270 nan 0.000 0.456 15 I N 3.677 124.319 120.570 0.121 0.000 2.406 15 I HA 0.254 4.425 4.170 0.001 0.000 0.290 15 I C -0.455 175.709 176.117 0.077 0.000 0.999 15 I CA -1.121 60.252 61.300 0.123 0.000 1.124 15 I CB 1.945 40.036 38.000 0.151 0.000 1.289 15 I HN 0.552 nan 8.210 nan 0.000 0.441 16 N N 4.982 123.716 118.700 0.058 0.000 2.442 16 N HA 0.250 4.991 4.740 0.001 0.000 0.265 16 N C -0.926 174.603 175.510 0.031 0.000 1.138 16 N CA 0.026 53.096 53.050 0.034 0.000 0.956 16 N CB 1.432 39.929 38.487 0.016 0.000 1.067 16 N HN 0.228 nan 8.380 nan 0.000 0.474 17 V N 4.650 124.582 119.914 0.029 0.000 2.349 17 V HA 0.337 4.458 4.120 0.001 0.000 0.284 17 V C 0.898 177.005 176.094 0.021 0.000 1.014 17 V CA -0.398 61.915 62.300 0.023 0.000 0.826 17 V CB 1.126 32.961 31.823 0.020 0.000 1.009 17 V HN 0.675 nan 8.190 nan 0.000 0.431 18 R N 2.851 123.359 120.500 0.014 0.000 1.970 18 R HA 0.212 4.553 4.340 0.001 0.000 0.200 18 R C 0.767 177.070 176.300 0.006 0.000 1.457 18 R CA 0.401 56.511 56.100 0.017 0.000 1.139 18 R CB -0.150 30.157 30.300 0.011 0.000 0.977 18 R HN 0.778 nan 8.270 nan 0.000 0.477 19 N N 0.060 118.759 118.700 -0.002 0.000 2.332 19 N HA 0.013 4.754 4.740 0.001 0.000 0.282 19 N C 1.214 176.716 175.510 -0.013 0.000 1.288 19 N CA 0.341 53.386 53.050 -0.008 0.000 0.949 19 N CB -0.392 38.091 38.487 -0.007 0.000 1.108 19 N HN 0.117 nan 8.380 nan 0.000 0.542 20 G N -1.451 107.341 108.800 -0.014 0.000 2.394 20 G HA2 -0.236 3.725 3.960 0.001 0.000 0.215 20 G HA3 -0.236 3.725 3.960 0.001 0.000 0.215 20 G C 1.061 175.959 174.900 -0.002 0.000 1.165 20 G CA 0.800 45.892 45.100 -0.014 0.000 0.784 20 G HN 0.705 nan 8.290 nan 0.000 0.535 21 D N 0.408 120.809 120.400 0.002 0.000 2.117 21 D HA -0.073 4.568 4.640 0.001 0.000 0.197 21 D C 2.408 178.720 176.300 0.021 0.000 0.987 21 D CA 1.037 55.045 54.000 0.012 0.000 0.829 21 D CB -0.049 40.755 40.800 0.006 0.000 0.961 21 D HN 0.434 nan 8.370 nan 0.000 0.460 22 E N -0.393 119.814 120.200 0.012 0.000 2.153 22 E HA -0.146 4.205 4.350 0.001 0.000 0.194 22 E C 2.235 178.860 176.600 0.042 0.000 0.988 22 E CA 0.552 56.964 56.400 0.020 0.000 0.811 22 E CB -0.001 29.703 29.700 0.006 0.000 0.746 22 E HN 0.468 nan 8.360 nan 0.000 0.466 23 I N 1.328 121.914 120.570 0.027 0.000 2.142 23 I HA -0.291 3.880 4.170 0.001 0.000 0.240 23 I C 2.641 178.793 176.117 0.058 0.000 1.078 23 I CA 1.352 62.667 61.300 0.025 0.000 1.343 23 I CB -0.411 37.586 38.000 -0.007 0.000 1.046 23 I HN 0.062 nan 8.210 nan 0.000 0.405 24 S N 0.725 116.459 115.700 0.056 0.000 2.343 24 S HA -0.177 4.293 4.470 0.001 0.000 0.219 24 S C 1.994 176.662 174.600 0.115 0.000 1.033 24 S CA 0.922 59.166 58.200 0.073 0.000 1.014 24 S CB -0.436 62.796 63.200 0.054 0.000 0.915 24 S HN 0.257 nan 8.310 nan 0.000 0.435 25 K N 1.045 121.523 120.400 0.131 0.000 2.362 25 K HA 0.212 4.533 4.320 0.001 0.000 0.200 25 K C 1.874 178.665 176.600 0.318 0.000 1.046 25 K CA 0.385 56.797 56.287 0.208 0.000 0.952 25 K CB -0.492 32.124 32.500 0.192 0.000 0.753 25 K HN 0.420 nan 8.250 nan 0.000 0.466 26 L N -0.335 121.053 121.223 0.275 0.000 2.071 26 L HA -0.086 4.255 4.340 0.001 0.000 0.201 26 L C 2.201 179.286 176.870 0.357 0.000 1.076 26 L CA 0.785 55.843 54.840 0.364 0.000 0.755 26 L CB -0.268 41.982 42.059 0.319 0.000 0.915 26 L HN 0.026 nan 8.230 nan 0.000 0.445 27 S N -0.548 115.339 115.700 0.312 0.000 2.382 27 S HA -0.251 4.219 4.470 0.001 0.000 0.228 27 S C 1.780 176.502 174.600 0.202 0.000 1.027 27 S CA 1.579 59.982 58.200 0.338 0.000 0.991 27 S CB -0.184 63.125 63.200 0.182 0.000 0.823 27 S HN 0.465 nan 8.310 nan 0.000 0.469 28 Q N 0.819 120.702 119.800 0.138 0.000 2.079 28 Q HA -0.052 4.289 4.340 0.001 0.000 0.200 28 Q C 1.541 177.554 176.000 0.022 0.000 0.974 28 Q CA 0.856 56.704 55.803 0.075 0.000 0.840 28 Q CB -0.554 28.228 28.738 0.073 0.000 0.898 28 Q HN 0.430 nan 8.270 nan 0.000 0.430 29 L N 2.801 124.038 121.223 0.023 0.000 6.512 29 L HA -0.090 4.251 4.340 0.001 0.000 0.276 29 L C -0.118 176.651 176.870 -0.168 0.000 1.609 29 L CA 1.211 55.986 54.840 -0.109 0.000 0.717 29 L CB -1.692 40.276 42.059 -0.152 0.000 1.402 29 L HN 0.366 nan 8.230 nan 0.000 0.321 30 S N 0.806 116.481 115.700 -0.042 0.000 3.436 30 S HA -0.209 4.262 4.470 0.001 0.000 0.393 30 S C 0.654 175.209 174.600 -0.076 0.000 0.914 30 S CA 0.396 58.568 58.200 -0.047 0.000 1.317 30 S CB -1.266 61.914 63.200 -0.034 0.000 0.920 30 S HN 0.827 nan 8.310 nan 0.000 0.564 31 N N 1.674 120.323 118.700 -0.084 0.000 2.217 31 N HA -0.019 4.722 4.740 0.001 0.000 0.268 31 N C 0.854 176.300 175.510 -0.107 0.000 1.290 31 N CA 0.696 53.681 53.050 -0.108 0.000 0.831 31 N CB 0.279 38.710 38.487 -0.093 0.000 1.057 31 N HN 0.608 nan 8.380 nan 0.000 0.481 32 N N 2.394 121.011 118.700 -0.139 0.000 2.428 32 N HA 0.189 4.930 4.740 0.001 0.000 0.249 32 N C 0.711 176.141 175.510 -0.132 0.000 1.092 32 N CA 0.299 53.272 53.050 -0.128 0.000 0.833 32 N CB 0.277 38.676 38.487 -0.145 0.000 1.575 32 N HN 0.429 nan 8.380 nan 0.000 0.476 33 L N 1.014 122.126 121.223 -0.183 0.000 2.808 33 L HA 0.329 4.670 4.340 0.001 0.000 0.246 33 L C -0.406 176.350 176.870 -0.190 0.000 1.153 33 L CA 0.048 54.775 54.840 -0.187 0.000 0.956 33 L CB 0.186 42.098 42.059 -0.246 0.000 1.270 33 L HN -0.039 nan 8.230 nan 0.000 0.528 34 K N 0.684 120.982 120.400 -0.170 0.000 3.077 34 K HA -0.184 4.137 4.320 0.001 0.000 0.264 34 K C -0.349 176.144 176.600 -0.179 0.000 1.008 34 K CA 0.426 56.631 56.287 -0.136 0.000 0.740 34 K CB -2.085 30.373 32.500 -0.070 0.000 1.273 34 K HN 0.297 nan 8.250 nan 0.000 0.477 35 L N 0.742 121.786 121.223 -0.298 0.000 2.417 35 L HA 0.196 4.537 4.340 0.001 0.000 0.268 35 L C 0.913 177.609 176.870 -0.289 0.000 1.158 35 L CA -0.289 54.322 54.840 -0.382 0.000 0.819 35 L CB 0.625 42.296 42.059 -0.648 0.000 1.112 35 L HN 0.266 nan 8.230 nan 0.000 0.458 36 N N 2.545 121.136 118.700 -0.181 0.000 2.524 36 N HA 0.290 5.031 4.740 0.001 0.000 0.261 36 N C -0.999 174.595 175.510 0.139 0.000 0.998 36 N CA -0.550 52.494 53.050 -0.010 0.000 0.915 36 N CB 0.770 39.341 38.487 0.139 0.000 1.187 36 N HN 0.396 nan 8.380 nan 0.000 0.507 37 F N 2.570 122.590 119.950 0.116 0.000 2.578 37 F HA -0.018 4.510 4.527 0.002 0.000 0.381 37 F C 0.698 176.724 175.800 0.376 0.000 1.069 37 F CA -0.492 57.603 58.000 0.159 0.000 1.231 37 F CB 0.555 39.589 39.000 0.057 0.000 1.086 37 F HN 0.628 nan 8.300 nan 0.000 0.564 38 W N 2.151 123.655 121.300 0.339 0.000 2.630 38 W HA 0.131 4.792 4.660 0.001 0.000 0.275 38 W C 0.476 177.074 176.519 0.131 0.000 1.192 38 W CA 0.094 57.663 57.345 0.374 0.000 1.410 38 W CB 0.126 29.801 29.460 0.358 0.000 1.075 38 W HN 0.165 nan 8.180 nan 0.000 0.581 39 K N 1.255 121.801 120.400 0.243 0.000 2.640 39 K HA 0.330 4.651 4.320 0.001 0.000 0.245 39 K C -0.005 176.481 176.600 -0.190 0.000 0.962 39 K CA -0.114 56.144 56.287 -0.047 0.000 0.896 39 K CB 1.097 33.535 32.500 -0.103 0.000 1.147 39 K HN -0.116 nan 8.250 nan 0.000 0.445 40 S N 3.407 118.865 115.700 -0.403 0.000 2.661 40 S HA 0.505 4.976 4.470 0.001 0.000 0.265 40 S C -2.082 172.149 174.600 -0.615 0.000 1.225 40 S CA -1.079 56.617 58.200 -0.841 0.000 0.986 40 S CB 0.351 62.972 63.200 -0.966 0.000 1.008 40 S HN 0.481 nan 8.310 nan 0.000 0.565 47 S N 0.215 115.905 115.700 -0.018 0.000 3.330 47 S HA -0.198 4.272 4.470 0.001 0.000 0.630 47 S C 0.533 175.133 174.600 0.001 0.000 2.776 47 S CA 1.124 59.250 58.200 -0.122 0.000 3.494 47 S CB -1.339 61.642 63.200 -0.365 0.000 0.291 47 S HN 0.967 nan 8.310 nan 0.000 1.451 48 F N 0.082 120.023 119.950 -0.014 0.000 1.402 48 F HA -0.353 4.174 4.527 0.001 0.000 0.075 48 F C 1.287 177.078 175.800 -0.015 0.000 0.149 48 F CA 1.851 59.843 58.000 -0.014 0.000 0.312 48 F CB -1.114 37.877 39.000 -0.014 0.000 0.822 48 F HN 0.817 nan 8.300 nan 0.000 0.661 49 N N -0.160 118.676 118.700 0.227 0.000 2.416 49 N HA 0.272 5.013 4.740 0.001 0.000 0.267 49 N C -0.961 174.597 175.510 0.080 0.000 1.294 49 N CA -0.681 52.433 53.050 0.107 0.000 0.891 49 N CB 0.331 38.856 38.487 0.064 0.000 1.238 49 N HN 0.222 nan 8.380 nan 0.000 0.508 50 R N 1.000 121.564 120.500 0.107 0.000 2.679 50 R HA 0.178 4.519 4.340 0.001 0.000 0.268 50 R C -2.417 173.901 176.300 0.031 0.000 1.044 50 R CA -1.204 54.928 56.100 0.054 0.000 1.105 50 R CB -0.561 29.780 30.300 0.068 0.000 0.989 50 R HN 0.158 nan 8.270 nan 0.000 0.447 51 P HA 0.111 nan 4.420 nan 0.000 0.276 51 P C -0.516 176.789 177.300 0.008 0.000 1.230 51 P CA -0.292 62.822 63.100 0.023 0.000 0.776 51 P CB 0.707 32.426 31.700 0.032 0.000 0.888 52 V N 4.144 124.068 119.914 0.017 0.000 2.439 52 V HA 0.222 4.343 4.120 0.001 0.000 0.282 52 V C -0.022 176.128 176.094 0.092 0.000 1.039 52 V CA -0.140 62.161 62.300 0.002 0.000 0.913 52 V CB 1.170 32.989 31.823 -0.007 0.000 0.983 52 V HN 0.477 nan 8.190 nan 0.000 0.460 53 D N 3.202 123.677 120.400 0.125 0.000 2.217 53 D HA 0.568 5.209 4.640 0.001 0.000 0.243 53 D C -0.685 175.776 176.300 0.268 0.000 1.054 53 D CA -0.001 54.108 54.000 0.182 0.000 0.838 53 D CB 2.162 43.113 40.800 0.253 0.000 1.162 53 D HN 0.364 nan 8.370 nan 0.000 0.472 54 V N 3.088 123.088 119.914 0.144 0.000 2.760 54 V HA 0.456 4.576 4.120 0.001 0.000 0.309 54 V C -1.281 174.696 176.094 -0.195 0.000 1.077 54 V CA -0.916 61.436 62.300 0.086 0.000 0.910 54 V CB 1.945 33.849 31.823 0.135 0.000 1.008 54 V HN 0.488 nan 8.190 nan 0.000 0.424 55 L N 6.959 127.998 121.223 -0.306 0.000 2.313 55 L HA 0.634 4.975 4.340 0.001 0.000 0.282 55 L C -0.740 176.002 176.870 -0.215 0.000 1.092 55 L CA 0.077 54.703 54.840 -0.355 0.000 0.831 55 L CB 1.303 43.194 42.059 -0.281 0.000 1.159 55 L HN 0.621 nan 8.230 nan 0.000 0.442 56 V N 6.903 126.711 119.914 -0.177 0.000 2.409 56 V HA 0.427 4.548 4.120 0.001 0.000 0.291 56 V C -2.129 173.924 176.094 -0.068 0.000 1.020 56 V CA -1.776 60.430 62.300 -0.156 0.000 0.848 56 V CB 1.369 33.139 31.823 -0.088 0.000 0.990 56 V HN 0.696 nan 8.190 nan 0.000 0.430 57 P HA 0.136 nan 4.420 nan 0.000 0.272 57 P C 1.072 178.383 177.300 0.017 0.000 1.223 57 P CA 0.125 63.233 63.100 0.013 0.000 0.784 57 P CB 0.744 32.447 31.700 0.004 0.000 0.923 58 S N 1.331 117.059 115.700 0.047 0.000 2.372 58 S HA -0.171 4.300 4.470 0.001 0.000 0.227 58 S C 1.657 176.276 174.600 0.031 0.000 1.044 58 S CA 2.129 60.358 58.200 0.049 0.000 1.050 58 S CB -0.986 62.258 63.200 0.073 0.000 0.901 58 S HN 0.458 nan 8.310 nan 0.000 0.447 59 V N -1.045 118.882 119.914 0.022 0.000 2.970 59 V HA 0.116 4.236 4.120 0.001 0.000 0.260 59 V C 1.747 177.846 176.094 0.009 0.000 1.100 59 V CA 1.948 64.255 62.300 0.013 0.000 1.122 59 V CB -0.508 31.319 31.823 0.006 0.000 0.721 59 V HN 0.372 nan 8.190 nan 0.000 0.483 60 S N 0.147 115.848 115.700 0.002 0.000 2.548 60 S HA 0.248 4.719 4.470 0.001 0.000 0.215 60 S C 1.532 176.163 174.600 0.051 0.000 0.976 60 S CA 0.219 58.419 58.200 0.001 0.000 0.908 60 S CB 0.065 63.227 63.200 -0.064 0.000 0.781 60 S HN 0.434 nan 8.310 nan 0.000 0.519 61 L N 2.579 123.829 121.223 0.045 0.000 1.944 61 L HA -0.156 4.185 4.340 0.001 0.000 0.218 61 L C 2.642 179.551 176.870 0.064 0.000 1.075 61 L CA 1.940 56.815 54.840 0.059 0.000 0.767 61 L CB -1.350 40.733 42.059 0.039 0.000 0.890 61 L HN 0.361 nan 8.230 nan 0.000 0.434 62 Q N -0.984 118.845 119.800 0.048 0.000 2.077 62 Q HA -0.252 4.089 4.340 0.001 0.000 0.206 62 Q C 2.018 178.051 176.000 0.056 0.000 0.989 62 Q CA 2.357 58.186 55.803 0.043 0.000 0.853 62 Q CB -0.103 28.656 28.738 0.035 0.000 0.907 62 Q HN 0.534 nan 8.270 nan 0.000 0.418 63 A N 0.313 123.175 122.820 0.070 0.000 1.883 63 A HA -0.201 4.119 4.320 0.001 0.000 0.217 63 A C 1.905 179.583 177.584 0.157 0.000 1.186 63 A CA 1.497 53.587 52.037 0.089 0.000 0.624 63 A CB -1.020 18.017 19.000 0.063 0.000 0.822 63 A HN 0.637 nan 8.150 nan 0.000 0.444 64 F N 0.224 120.165 119.950 -0.016 0.000 2.187 64 F HA -0.045 4.483 4.527 0.002 0.000 0.295 64 F C 2.255 178.059 175.800 0.007 0.000 1.091 64 F CA 1.495 59.495 58.000 0.001 0.000 1.308 64 F CB -0.012 38.948 39.000 -0.067 0.000 1.030 64 F HN 0.076 nan 8.300 nan 0.000 0.487 65 K N -0.278 120.020 120.400 -0.170 0.000 2.063 65 K HA -0.212 4.109 4.320 0.001 0.000 0.208 65 K C 2.329 178.835 176.600 -0.155 0.000 1.048 65 K CA 1.519 57.594 56.287 -0.353 0.000 0.928 65 K CB -0.544 31.845 32.500 -0.185 0.000 0.713 65 K HN 0.218 nan 8.250 nan 0.000 0.442 66 S N 0.717 116.400 115.700 -0.029 0.000 2.368 66 S HA -0.173 4.298 4.470 0.001 0.000 0.225 66 S C 1.760 176.373 174.600 0.023 0.000 1.030 66 S CA 1.045 59.256 58.200 0.019 0.000 0.999 66 S CB -0.306 62.925 63.200 0.052 0.000 0.844 66 S HN 0.382 nan 8.310 nan 0.000 0.459 67 F N 1.584 121.469 119.950 -0.109 0.000 2.102 67 F HA -0.052 4.476 4.527 0.002 0.000 0.298 67 F C 1.727 177.430 175.800 -0.161 0.000 1.105 67 F CA 1.162 59.101 58.000 -0.102 0.000 1.239 67 F CB -0.408 38.562 39.000 -0.050 0.000 0.991 67 F HN 0.193 nan 8.300 nan 0.000 0.474 68 L N 1.201 122.170 121.223 -0.423 0.000 1.971 68 L HA -0.239 4.102 4.340 0.001 0.000 0.215 68 L C 2.587 179.297 176.870 -0.267 0.000 1.072 68 L CA 1.846 56.409 54.840 -0.461 0.000 0.758 68 L CB -1.476 40.310 42.059 -0.456 0.000 0.889 68 L HN 0.147 nan 8.230 nan 0.000 0.433 69 R N -0.688 119.745 120.500 -0.111 0.000 2.096 69 R HA -0.186 4.155 4.340 0.001 0.000 0.240 69 R C 2.399 178.632 176.300 -0.111 0.000 1.139 69 R CA 1.836 57.905 56.100 -0.052 0.000 0.952 69 R CB -0.621 29.685 30.300 0.011 0.000 0.854 69 R HN 0.601 nan 8.270 nan 0.000 0.436 70 S N 0.340 115.954 115.700 -0.143 0.000 2.383 70 S HA -0.108 4.363 4.470 0.001 0.000 0.227 70 S C 1.857 176.342 174.600 -0.192 0.000 1.026 70 S CA 0.667 58.788 58.200 -0.131 0.000 0.981 70 S CB 0.016 63.168 63.200 -0.081 0.000 0.818 70 S HN 0.191 nan 8.310 nan 0.000 0.472 71 Q N 0.932 120.517 119.800 -0.360 0.000 2.482 71 Q HA 0.194 4.535 4.340 0.001 0.000 0.209 71 Q C 1.215 177.076 176.000 -0.233 0.000 0.961 71 Q CA 0.707 56.291 55.803 -0.365 0.000 0.945 71 Q CB -0.032 28.287 28.738 -0.699 0.000 1.012 71 Q HN 0.880 nan 8.270 nan 0.000 0.515 72 G N 1.000 109.687 108.800 -0.189 0.000 2.171 72 G HA2 -0.231 3.730 3.960 0.001 0.000 0.238 72 G HA3 -0.231 3.730 3.960 0.001 0.000 0.238 72 G C -0.227 174.615 174.900 -0.096 0.000 1.039 72 G CA 0.071 45.101 45.100 -0.116 0.000 0.759 72 G HN 0.262 nan 8.290 nan 0.000 0.501 73 L N -0.242 120.917 121.223 -0.107 0.000 2.280 73 L HA 0.644 4.985 4.340 0.001 0.000 0.287 73 L C 0.423 177.299 176.870 0.011 0.000 1.023 73 L CA -1.024 53.785 54.840 -0.051 0.000 0.819 73 L CB 1.345 43.370 42.059 -0.056 0.000 1.212 73 L HN 0.081 nan 8.230 nan 0.000 0.420 74 E N 2.710 122.906 120.200 -0.007 0.000 2.373 74 E HA 0.321 4.672 4.350 0.001 0.000 0.267 74 E C -1.203 175.420 176.600 0.038 0.000 1.032 74 E CA 0.181 56.556 56.400 -0.041 0.000 0.889 74 E CB 0.758 30.415 29.700 -0.072 0.000 0.984 74 E HN 0.467 nan 8.360 nan 0.000 0.425 75 Y N -0.013 120.254 120.300 -0.056 0.000 2.588 75 Y HA 0.789 5.340 4.550 0.002 0.000 0.343 75 Y C -1.337 174.542 175.900 -0.035 0.000 1.065 75 Y CA -1.507 56.568 58.100 -0.042 0.000 1.038 75 Y CB 1.068 39.494 38.460 -0.056 0.000 1.297 75 Y HN 0.418 nan 8.280 nan 0.000 0.467 76 A N 1.460 124.376 122.820 0.159 0.000 2.414 76 A HA 0.695 5.016 4.320 0.001 0.000 0.306 76 A C -1.504 176.185 177.584 0.176 0.000 1.054 76 A CA -0.950 51.139 52.037 0.087 0.000 0.724 76 A CB 1.349 20.352 19.000 0.005 0.000 1.267 76 A HN 0.766 nan 8.150 nan 0.000 0.418 77 V N 2.855 122.858 119.914 0.148 0.000 2.446 77 V HA 0.188 4.309 4.120 0.001 0.000 0.276 77 V C 1.567 177.662 176.094 0.001 0.000 1.030 77 V CA 1.055 63.399 62.300 0.073 0.000 1.033 77 V CB 0.210 32.071 31.823 0.062 0.000 0.993 77 V HN 1.134 nan 8.190 nan 0.000 0.477 78 T N 2.127 116.658 114.554 -0.039 0.000 3.039 78 T HA 0.331 4.682 4.350 0.001 0.000 0.250 78 T C 0.420 175.045 174.700 -0.125 0.000 1.052 78 T CA 0.330 62.381 62.100 -0.081 0.000 1.125 78 T CB 0.168 68.986 68.868 -0.084 0.000 0.908 78 T HN 0.328 nan 8.240 nan 0.000 0.473 79 I N 1.463 121.950 120.570 -0.140 0.000 2.410 79 I HA 0.424 4.595 4.170 0.001 0.000 0.286 79 I C 0.745 176.807 176.117 -0.093 0.000 1.009 79 I CA -0.640 60.575 61.300 -0.142 0.000 1.111 79 I CB 2.507 40.386 38.000 -0.202 0.000 1.262 79 I HN -0.069 nan 8.210 nan 0.000 0.443 80 E N 2.506 122.673 120.200 -0.056 0.000 2.076 80 E HA -0.078 4.272 4.350 0.001 0.000 0.190 80 E C -0.219 176.381 176.600 -0.001 0.000 0.979 80 E CA 1.133 57.520 56.400 -0.021 0.000 0.807 80 E CB 0.306 30.001 29.700 -0.009 0.000 0.761 80 E HN 0.506 nan 8.360 nan 0.000 0.454 81 D N -0.802 119.600 120.400 0.004 0.000 2.375 81 D HA 0.072 4.713 4.640 0.001 0.000 0.241 81 D C 0.475 176.790 176.300 0.026 0.000 1.361 81 D CA -0.220 53.800 54.000 0.033 0.000 0.995 81 D CB 0.661 41.501 40.800 0.067 0.000 1.312 81 D HN -0.011 nan 8.370 nan 0.000 0.576 82 L N 2.481 123.712 121.223 0.014 0.000 2.081 82 L HA -0.188 4.153 4.340 0.001 0.000 0.212 82 L C 1.770 178.660 176.870 0.033 0.000 1.080 82 L CA 1.698 56.543 54.840 0.009 0.000 0.754 82 L CB -0.034 42.013 42.059 -0.020 0.000 0.893 82 L HN 0.532 nan 8.230 nan 0.000 0.433 83 Q N -0.280 119.542 119.800 0.037 0.000 2.170 83 Q HA -0.138 4.203 4.340 0.001 0.000 0.203 83 Q C 2.074 178.072 176.000 -0.004 0.000 0.976 83 Q CA 1.878 57.658 55.803 -0.038 0.000 0.858 83 Q CB -0.185 28.389 28.738 -0.273 0.000 0.907 83 Q HN 0.520 nan 8.270 nan 0.000 0.433 84 A N 0.142 122.986 122.820 0.041 0.000 1.877 84 A HA -0.152 4.169 4.320 0.001 0.000 0.216 84 A C 2.055 179.672 177.584 0.055 0.000 1.186 84 A CA 1.419 53.490 52.037 0.057 0.000 0.620 84 A CB -0.807 18.232 19.000 0.066 0.000 0.822 84 A HN 0.443 nan 8.150 nan 0.000 0.443 85 L N -0.955 120.305 121.223 0.061 0.000 2.012 85 L HA -0.187 4.154 4.340 0.001 0.000 0.210 85 L C 2.608 179.496 176.870 0.030 0.000 1.073 85 L CA 1.010 55.895 54.840 0.076 0.000 0.748 85 L CB -0.719 41.405 42.059 0.107 0.000 0.891 85 L HN 0.322 nan 8.230 nan 0.000 0.431 86 L N 0.178 121.405 121.223 0.007 0.000 2.012 86 L HA -0.246 4.095 4.340 0.001 0.000 0.210 86 L C 2.321 179.191 176.870 0.000 0.000 1.073 86 L CA 1.920 56.749 54.840 -0.019 0.000 0.748 86 L CB -1.215 40.851 42.059 0.010 0.000 0.891 86 L HN 0.290 nan 8.230 nan 0.000 0.431 87 D N -0.739 119.668 120.400 0.012 0.000 2.144 87 D HA -0.173 4.467 4.640 0.001 0.000 0.199 87 D C 1.918 178.243 176.300 0.042 0.000 0.984 87 D CA 1.142 55.159 54.000 0.029 0.000 0.834 87 D CB -0.189 40.635 40.800 0.040 0.000 0.955 87 D HN 0.444 nan 8.370 nan 0.000 0.465 88 N N 0.479 119.205 118.700 0.043 0.000 2.166 88 N HA -0.156 4.585 4.740 0.001 0.000 0.186 88 N C 1.710 177.251 175.510 0.051 0.000 1.019 88 N CA 0.964 54.041 53.050 0.046 0.000 0.856 88 N CB 0.112 38.628 38.487 0.049 0.000 0.993 88 N HN 0.288 nan 8.380 nan 0.000 0.426 89 E N 0.776 121.005 120.200 0.049 0.000 2.028 89 E HA -0.193 4.158 4.350 0.001 0.000 0.190 89 E C 0.943 177.613 176.600 0.116 0.000 0.984 89 E CA 1.187 57.636 56.400 0.081 0.000 0.800 89 E CB 0.114 29.817 29.700 0.004 0.000 0.758 89 E HN 0.244 nan 8.360 nan 0.000 0.448 90 D N 0.957 121.408 120.400 0.084 0.000 2.126 90 D HA -0.201 4.440 4.640 0.001 0.000 0.190 90 D C 1.634 177.986 176.300 0.086 0.000 1.001 90 D CA 1.593 55.647 54.000 0.090 0.000 0.841 90 D CB -0.555 40.281 40.800 0.061 0.000 0.949 90 D HN 0.245 nan 8.370 nan 0.000 0.446 91 D N 0.439 120.884 120.400 0.074 0.000 2.104 91 D HA -0.118 4.523 4.640 0.001 0.000 0.194 91 D C 2.062 178.416 176.300 0.090 0.000 0.994 91 D CA 0.953 54.998 54.000 0.076 0.000 0.830 91 D CB -0.156 40.680 40.800 0.061 0.000 0.959 91 D HN 0.388 nan 8.370 nan 0.000 0.452 92 E N -0.343 119.903 120.200 0.076 0.000 2.072 92 E HA -0.110 4.240 4.350 0.001 0.000 0.191 92 E C 2.133 178.782 176.600 0.081 0.000 0.985 92 E CA 0.505 56.943 56.400 0.063 0.000 0.801 92 E CB -0.091 29.638 29.700 0.049 0.000 0.750 92 E HN 0.278 nan 8.360 nan 0.000 0.452 93 M N 0.652 120.315 119.600 0.105 0.000 2.159 93 M HA -0.213 4.268 4.480 0.001 0.000 0.263 93 M C 2.477 178.805 176.300 0.047 0.000 1.063 93 M CA 1.401 56.748 55.300 0.079 0.000 1.110 93 M CB -0.009 32.679 32.600 0.146 0.000 1.374 93 M HN 0.097 nan 8.290 nan 0.000 0.411 94 Q N -1.061 118.780 119.800 0.069 0.000 2.123 94 Q HA -0.239 4.102 4.340 0.001 0.000 0.199 94 Q C 1.792 177.823 176.000 0.051 0.000 0.966 94 Q CA 1.726 57.559 55.803 0.049 0.000 0.845 94 Q CB -0.068 28.701 28.738 0.051 0.000 0.907 94 Q HN 0.602 nan 8.270 nan 0.000 0.439 95 H N 0.211 119.279 119.070 -0.004 0.000 2.270 95 H HA -0.143 4.414 4.556 0.001 0.000 0.299 95 H C 1.974 177.287 175.328 -0.025 0.000 1.077 95 H CA 2.212 58.254 56.048 -0.009 0.000 1.294 95 H CB -0.110 29.650 29.762 -0.004 0.000 1.371 95 H HN 0.290 nan 8.280 nan 0.000 0.491 96 N N 0.202 118.995 118.700 0.154 0.000 2.149 96 N HA -0.199 4.542 4.740 0.001 0.000 0.188 96 N C 1.917 177.408 175.510 -0.033 0.000 1.019 96 N CA 1.648 54.727 53.050 0.049 0.000 0.857 96 N CB -0.173 38.287 38.487 -0.045 0.000 0.997 96 N HN 0.559 nan 8.380 nan 0.000 0.426 97 E N -1.089 119.085 120.200 -0.043 0.000 2.077 97 E HA -0.110 4.241 4.350 0.001 0.000 0.193 97 E C 1.895 178.469 176.600 -0.043 0.000 0.989 97 E CA 1.173 57.547 56.400 -0.043 0.000 0.800 97 E CB -0.445 29.237 29.700 -0.029 0.000 0.746 97 E HN 0.536 nan 8.360 nan 0.000 0.452 98 G N 0.419 109.177 108.800 -0.070 0.000 2.422 98 G HA2 -0.219 3.742 3.960 0.001 0.000 0.218 98 G HA3 -0.219 3.742 3.960 0.001 0.000 0.218 98 G C 0.886 175.732 174.900 -0.090 0.000 1.146 98 G CA 0.164 45.208 45.100 -0.094 0.000 0.769 98 G HN 0.237 nan 8.290 nan 0.000 0.547 1002 R N 1.169 121.665 120.500 -0.005 0.000 2.170 1002 R HA -0.103 4.238 4.340 0.001 0.000 0.242 1002 R C 2.319 178.616 176.300 -0.005 0.000 1.145 1002 R CA 2.094 58.190 56.100 -0.006 0.000 0.984 1002 R CB -0.021 30.268 30.300 -0.019 0.000 0.869 1002 R HN 0.080 nan 8.270 nan 0.000 0.455 1003 S N -1.268 114.427 115.700 -0.008 0.000 2.510 1003 S HA -0.028 4.443 4.470 0.001 0.000 0.230 1003 S C 1.774 176.378 174.600 0.006 0.000 1.066 1003 S CA 0.583 58.780 58.200 -0.005 0.000 0.941 1003 S CB 0.046 63.237 63.200 -0.014 0.000 0.829 1003 S HN 0.380 nan 8.310 nan 0.000 0.530 1004 S N 1.077 116.784 115.700 0.011 0.000 2.496 1004 S HA 0.143 4.614 4.470 0.001 0.000 0.224 1004 S C 1.107 175.725 174.600 0.030 0.000 0.996 1004 S CA 0.808 59.020 58.200 0.021 0.000 0.927 1004 S CB -0.607 62.608 63.200 0.025 0.000 0.774 1004 S HN 0.645 nan 8.310 nan 0.000 0.524 1005 N N 0.833 119.554 118.700 0.035 0.000 2.951 1005 N HA -0.157 4.583 4.740 0.001 0.000 0.218 1005 N C -0.880 174.674 175.510 0.075 0.000 0.858 1005 N CA 1.093 54.174 53.050 0.052 0.000 1.050 1005 N CB -1.646 36.868 38.487 0.044 0.000 1.012 1005 N HN 0.542 nan 8.380 nan 0.000 0.611 1006 N N 0.160 118.900 118.700 0.067 0.000 2.529 1006 N HA 0.138 4.879 4.740 0.001 0.000 0.278 1006 N C -0.688 174.885 175.510 0.105 0.000 1.146 1006 N CA -0.006 53.098 53.050 0.090 0.000 0.980 1006 N CB 0.360 38.893 38.487 0.077 0.000 1.124 1006 N HN 0.090 nan 8.380 nan 0.000 0.458 1007 F N 2.392 122.305 119.950 -0.063 0.000 2.411 1007 F HA 0.176 4.704 4.527 0.001 0.000 0.355 1007 F C 0.420 176.111 175.800 -0.182 0.000 1.117 1007 F CA -0.793 57.105 58.000 -0.171 0.000 1.139 1007 F CB 0.430 39.208 39.000 -0.369 0.000 1.120 1007 F HN 0.318 nan 8.300 nan 0.000 0.493 1008 N N 5.694 124.215 118.700 -0.298 0.000 2.500 1008 N HA 0.033 4.774 4.740 0.001 0.000 0.236 1008 N C 0.114 175.562 175.510 -0.103 0.000 1.022 1008 N CA -0.054 52.931 53.050 -0.108 0.000 0.935 1008 N CB 0.098 38.531 38.487 -0.091 0.000 1.147 1008 N HN 0.656 nan 8.380 nan 0.000 0.512 1009 Y N 1.210 121.652 120.300 0.237 0.000 2.639 1009 Y HA 0.053 4.604 4.550 0.001 0.000 0.297 1009 Y C 2.072 178.078 175.900 0.177 0.000 1.151 1009 Y CA 0.696 59.001 58.100 0.341 0.000 1.335 1009 Y CB 0.369 39.091 38.460 0.436 0.000 0.994 1009 Y HN 0.644 nan 8.280 nan 0.000 0.548 1010 G N -0.747 108.151 108.800 0.164 0.000 3.448 1010 G HA2 0.489 4.449 3.960 0.001 0.000 0.261 1010 G HA3 0.489 4.449 3.960 0.001 0.000 0.261 1010 G C 0.023 174.839 174.900 -0.139 0.000 1.173 1010 G CA 0.434 45.543 45.100 0.015 0.000 0.835 1010 G HN 0.284 nan 8.290 nan 0.000 0.534 1011 A N -0.462 122.224 122.820 -0.222 0.000 2.485 1011 A HA 0.784 5.105 4.320 0.001 0.000 0.292 1011 A C -1.407 175.850 177.584 -0.545 0.000 1.147 1011 A CA -0.820 50.967 52.037 -0.417 0.000 0.750 1011 A CB 1.172 19.904 19.000 -0.446 0.000 1.331 1011 A HN 0.100 nan 8.150 nan 0.000 0.419 1012 Y N 0.218 120.407 120.300 -0.185 0.000 2.304 1012 Y HA 0.528 5.079 4.550 0.002 0.000 0.327 1012 Y C 0.510 176.162 175.900 -0.414 0.000 1.209 1012 Y CA 0.724 58.742 58.100 -0.137 0.000 1.299 1012 Y CB 0.801 39.285 38.460 0.041 0.000 1.249 1012 Y HN 0.709 nan 8.280 nan 0.000 0.519 1013 H N -1.627 117.486 119.070 0.072 0.000 2.821 1013 H HA 0.425 4.981 4.556 0.001 0.000 0.373 1013 H C -0.615 174.730 175.328 0.029 0.000 1.165 1013 H CA -1.082 54.970 56.048 0.007 0.000 1.154 1013 H CB 1.421 31.192 29.762 0.016 0.000 1.765 1013 H HN 0.614 nan 8.280 nan 0.000 0.549 1014 S N 1.154 116.926 115.700 0.120 0.000 2.573 1014 S HA -0.033 4.438 4.470 0.001 0.000 0.277 1014 S C 1.398 176.082 174.600 0.138 0.000 1.346 1014 S CA -0.608 57.621 58.200 0.048 0.000 1.034 1014 S CB 0.686 63.898 63.200 0.020 0.000 0.879 1014 S HN 0.635 nan 8.310 nan 0.000 0.528 1015 L N 1.438 122.736 121.223 0.126 0.000 2.089 1015 L HA -0.157 4.184 4.340 0.001 0.000 0.213 1015 L C 2.544 179.303 176.870 -0.185 0.000 1.079 1015 L CA 2.322 57.137 54.840 -0.041 0.000 0.758 1015 L CB -0.983 41.020 42.059 -0.094 0.000 0.891 1015 L HN 1.012 nan 8.230 nan 0.000 0.433 1016 E N -0.760 119.423 120.200 -0.028 0.000 2.049 1016 E HA -0.292 4.059 4.350 0.001 0.000 0.198 1016 E C 2.047 178.727 176.600 0.134 0.000 1.007 1016 E CA 1.452 57.892 56.400 0.067 0.000 0.809 1016 E CB -0.204 29.534 29.700 0.064 0.000 0.749 1016 E HN 0.662 nan 8.360 nan 0.000 0.450 1017 A N 0.601 123.507 122.820 0.143 0.000 1.929 1017 A HA -0.104 4.217 4.320 0.001 0.000 0.216 1017 A C 2.107 179.840 177.584 0.249 0.000 1.176 1017 A CA 0.908 53.079 52.037 0.223 0.000 0.628 1017 A CB -0.461 18.687 19.000 0.246 0.000 0.816 1017 A HN 0.265 nan 8.150 nan 0.000 0.444 1018 I N -1.615 119.064 120.570 0.182 0.000 2.099 1018 I HA -0.327 3.844 4.170 0.001 0.000 0.239 1018 I C 2.438 178.666 176.117 0.185 0.000 1.066 1018 I CA 1.710 63.088 61.300 0.131 0.000 1.324 1018 I CB -0.628 37.409 38.000 0.061 0.000 1.037 1018 I HN 0.434 nan 8.210 nan 0.000 0.401 1019 Y N -0.286 120.083 120.300 0.114 0.000 2.114 1019 Y HA -0.407 4.144 4.550 0.001 0.000 0.282 1019 Y C 2.931 178.851 175.900 0.034 0.000 1.165 1019 Y CA 1.469 59.638 58.100 0.115 0.000 1.148 1019 Y CB -0.458 38.144 38.460 0.236 0.000 0.972 1019 Y HN 0.273 nan 8.280 nan 0.000 0.504 1020 H N 0.144 119.305 119.070 0.152 0.000 2.319 1020 H HA -0.194 4.363 4.556 0.001 0.000 0.299 1020 H C 2.013 177.292 175.328 -0.081 0.000 1.092 1020 H CA 2.055 58.117 56.048 0.024 0.000 1.302 1020 H CB -0.126 29.666 29.762 0.049 0.000 1.373 1020 H HN 0.231 nan 8.280 nan 0.000 0.497 1021 E N -0.024 120.087 120.200 -0.148 0.000 2.110 1021 E HA -0.144 4.207 4.350 0.001 0.000 0.193 1021 E C 2.228 178.632 176.600 -0.328 0.000 0.988 1021 E CA 1.335 57.459 56.400 -0.460 0.000 0.804 1021 E CB -0.233 28.784 29.700 -1.137 0.000 0.745 1021 E HN 0.567 nan 8.360 nan 0.000 0.458 1022 M N 0.061 119.545 119.600 -0.192 0.000 2.202 1022 M HA -0.149 4.332 4.480 0.001 0.000 0.262 1022 M C 1.647 177.814 176.300 -0.222 0.000 1.063 1022 M CA 1.682 56.883 55.300 -0.165 0.000 1.097 1022 M CB -0.156 32.383 32.600 -0.101 0.000 1.382 1022 M HN 0.042 nan 8.290 nan 0.000 0.413 1023 D N 0.087 120.329 120.400 -0.262 0.000 2.162 1023 D HA -0.098 4.543 4.640 0.001 0.000 0.203 1023 D C 1.643 177.781 176.300 -0.269 0.000 0.967 1023 D CA 0.986 54.819 54.000 -0.279 0.000 0.840 1023 D CB -0.033 40.601 40.800 -0.277 0.000 0.972 1023 D HN 0.166 nan 8.370 nan 0.000 0.482 1024 N N 0.068 118.567 118.700 -0.335 0.000 2.058 1024 N HA -0.093 4.648 4.740 0.001 0.000 0.191 1024 N C 1.973 177.385 175.510 -0.164 0.000 1.037 1024 N CA 0.667 53.545 53.050 -0.287 0.000 0.848 1024 N CB -0.365 37.916 38.487 -0.343 0.000 1.021 1024 N HN 0.257 nan 8.380 nan 0.000 0.422 1025 I N 1.312 121.807 120.570 -0.125 0.000 2.068 1025 I HA -0.361 3.810 4.170 0.001 0.000 0.238 1025 I C 2.325 178.473 176.117 0.050 0.000 1.046 1025 I CA 1.682 62.989 61.300 0.011 0.000 1.306 1025 I CB -0.530 37.469 38.000 -0.001 0.000 1.023 1025 I HN 0.098 nan 8.210 nan 0.000 0.399 1026 A N 0.553 123.340 122.820 -0.055 0.000 1.884 1026 A HA -0.318 4.003 4.320 0.001 0.000 0.219 1026 A C 2.480 180.023 177.584 -0.068 0.000 1.197 1026 A CA 2.669 54.658 52.037 -0.079 0.000 0.637 1026 A CB -1.271 17.634 19.000 -0.159 0.000 0.827 1026 A HN 0.515 nan 8.150 nan 0.000 0.450 1027 A N -1.146 121.608 122.820 -0.109 0.000 2.015 1027 A HA -0.126 4.194 4.320 0.001 0.000 0.219 1027 A C 1.759 179.256 177.584 -0.145 0.000 1.163 1027 A CA 1.796 53.761 52.037 -0.119 0.000 0.646 1027 A CB -0.446 18.474 19.000 -0.133 0.000 0.806 1027 A HN 0.489 nan 8.150 nan 0.000 0.448 1028 D N -1.479 118.825 120.400 -0.161 0.000 2.194 1028 D HA 0.042 4.683 4.640 0.001 0.000 0.204 1028 D C -0.365 175.561 176.300 -0.623 0.000 0.964 1028 D CA 0.896 54.678 54.000 -0.364 0.000 0.846 1028 D CB 0.002 40.599 40.800 -0.339 0.000 0.962 1028 D HN 0.442 nan 8.370 nan 0.000 0.490 1029 F N 0.329 120.233 119.950 -0.078 0.000 2.523 1029 F HA 0.245 4.773 4.527 0.001 0.000 0.322 1029 F C -1.679 174.073 175.800 -0.079 0.000 1.361 1029 F CA -1.557 56.402 58.000 -0.069 0.000 1.151 1029 F CB 1.762 40.724 39.000 -0.064 0.000 1.391 1029 F HN -0.158 nan 8.300 nan 0.000 0.566 1030 P HA -0.054 nan 4.420 nan 0.000 0.234 1030 P C 0.241 177.533 177.300 -0.014 0.000 1.167 1030 P CA 1.153 64.240 63.100 -0.022 0.000 0.763 1030 P CB 0.344 32.014 31.700 -0.050 0.000 0.835 1031 D N -1.672 118.737 120.400 0.014 0.000 2.398 1031 D HA 0.108 4.749 4.640 0.001 0.000 0.210 1031 D C 1.289 177.570 176.300 -0.032 0.000 1.094 1031 D CA 0.060 54.059 54.000 -0.002 0.000 0.839 1031 D CB 0.263 41.075 40.800 0.020 0.000 0.963 1031 D HN 0.028 nan 8.370 nan 0.000 0.506 1032 L N -0.738 120.468 121.223 -0.028 0.000 2.758 1032 L HA 0.537 4.877 4.340 0.001 0.000 0.234 1032 L C -0.367 176.453 176.870 -0.084 0.000 1.049 1032 L CA 0.283 55.057 54.840 -0.110 0.000 0.908 1032 L CB 0.647 42.593 42.059 -0.189 0.000 1.362 1032 L HN -0.127 nan 8.230 nan 0.000 0.499 1033 A N 0.467 123.252 122.820 -0.057 0.000 2.386 1033 A HA 0.829 5.150 4.320 0.001 0.000 0.311 1033 A C -0.972 176.486 177.584 -0.211 0.000 1.068 1033 A CA -0.622 51.303 52.037 -0.187 0.000 0.743 1033 A CB 1.081 20.012 19.000 -0.114 0.000 1.258 1033 A HN 0.272 nan 8.150 nan 0.000 0.429 1034 R N 1.382 121.696 120.500 -0.310 0.000 2.621 1034 R HA 0.657 4.998 4.340 0.001 0.000 0.284 1034 R C -0.814 175.312 176.300 -0.290 0.000 0.998 1034 R CA -0.811 55.146 56.100 -0.239 0.000 0.895 1034 R CB 1.764 31.973 30.300 -0.153 0.000 1.195 1034 R HN 0.644 nan 8.270 nan 0.000 0.450 1035 R N 2.649 122.993 120.500 -0.260 0.000 2.248 1035 R HA 0.286 4.627 4.340 0.001 0.000 0.328 1035 R C -0.969 175.221 176.300 -0.184 0.000 1.067 1035 R CA -0.357 55.573 56.100 -0.283 0.000 0.924 1035 R CB 1.000 31.058 30.300 -0.405 0.000 1.013 1035 R HN 0.516 nan 8.270 nan 0.000 0.454 1036 V N 4.836 124.688 119.914 -0.104 0.000 2.513 1036 V HA 0.290 4.411 4.120 0.001 0.000 0.299 1036 V C 0.038 176.176 176.094 0.073 0.000 1.035 1036 V CA -0.881 61.421 62.300 0.003 0.000 0.889 1036 V CB 1.704 33.558 31.823 0.052 0.000 0.988 1036 V HN 0.647 nan 8.190 nan 0.000 0.440 1037 K N 3.720 124.191 120.400 0.117 0.000 2.276 1037 K HA 0.415 4.736 4.320 0.001 0.000 0.285 1037 K C 0.678 177.276 176.600 -0.004 0.000 1.062 1037 K CA -0.313 56.014 56.287 0.067 0.000 0.918 1037 K CB 0.999 33.530 32.500 0.051 0.000 1.055 1037 K HN 0.823 nan 8.250 nan 0.000 0.477 1038 I N 0.183 120.715 120.570 -0.065 0.000 3.941 1038 I HA 0.348 4.519 4.170 0.001 0.000 0.321 1038 I C 0.618 176.711 176.117 -0.039 0.000 1.284 1038 I CA -0.154 61.139 61.300 -0.012 0.000 1.226 1038 I CB 0.660 38.610 38.000 -0.083 0.000 1.045 1038 I HN 0.710 nan 8.210 nan 0.000 0.420 1039 G N 0.115 108.802 108.800 -0.189 0.000 2.404 1039 G HA2 0.289 4.250 3.960 0.001 0.000 0.253 1039 G HA3 0.289 4.250 3.960 0.001 0.000 0.253 1039 G C -1.725 172.886 174.900 -0.482 0.000 1.253 1039 G CA -0.768 44.171 45.100 -0.270 0.000 0.917 1039 G HN 0.397 nan 8.290 nan 0.000 0.480 1040 H N -0.564 118.488 119.070 -0.030 0.000 2.895 1040 H HA 0.686 5.243 4.556 0.002 0.000 0.373 1040 H C 0.459 175.787 175.328 0.000 0.000 1.174 1040 H CA -0.097 55.931 56.048 -0.034 0.000 1.144 1040 H CB 2.075 31.812 29.762 -0.040 0.000 1.793 1040 H HN 0.737 nan 8.280 nan 0.000 0.551 1041 S N 0.800 116.604 115.700 0.173 0.000 2.655 1041 S HA 0.056 4.527 4.470 0.001 0.000 0.265 1041 S C 1.024 175.718 174.600 0.156 0.000 1.240 1041 S CA -0.572 57.721 58.200 0.155 0.000 0.986 1041 S CB 0.575 63.869 63.200 0.157 0.000 0.985 1041 S HN 0.627 nan 8.310 nan 0.000 0.562 1042 F N 1.114 121.089 119.950 0.043 0.000 2.216 1042 F HA 0.017 4.544 4.527 -0.000 0.000 0.300 1042 F C 2.084 177.891 175.800 0.012 0.000 1.085 1042 F CA 1.719 59.733 58.000 0.023 0.000 1.326 1042 F CB -0.273 38.739 39.000 0.020 0.000 1.027 1042 F HN 0.754 nan 8.300 nan 0.000 0.497 1043 E N -0.060 120.186 120.200 0.078 0.000 2.489 1043 E HA -0.021 4.330 4.350 0.001 0.000 0.193 1043 E C -0.063 176.503 176.600 -0.057 0.000 1.057 1043 E CA 0.330 56.719 56.400 -0.018 0.000 0.866 1043 E CB -0.037 29.712 29.700 0.082 0.000 0.916 1043 E HN 0.372 nan 8.360 nan 0.000 0.500 1044 N N 1.036 119.705 118.700 -0.052 0.000 2.926 1044 N HA -0.141 4.600 4.740 0.001 0.000 0.249 1044 N C -0.637 174.868 175.510 -0.008 0.000 1.100 1044 N CA 0.556 53.541 53.050 -0.109 0.000 0.777 1044 N CB -1.034 37.318 38.487 -0.225 0.000 1.112 1044 N HN 0.204 nan 8.380 nan 0.000 0.552 1045 R N 0.738 121.298 120.500 0.100 0.000 2.531 1045 R HA 0.351 4.692 4.340 0.001 0.000 0.273 1045 R C -2.164 174.241 176.300 0.175 0.000 1.070 1045 R CA -1.247 54.940 56.100 0.146 0.000 1.112 1045 R CB 0.312 30.715 30.300 0.172 0.000 1.049 1045 R HN -0.078 nan 8.270 nan 0.000 0.508 1046 P HA 0.000 nan 4.420 nan 0.000 0.268 1046 P C -0.613 176.415 177.300 -0.453 0.000 1.205 1046 P CA 0.496 63.350 63.100 -0.410 0.000 0.771 1046 P CB 0.594 31.645 31.700 -1.082 0.000 0.858 1047 M N 3.337 122.680 119.600 -0.428 0.000 2.061 1047 M HA 0.279 4.760 4.480 0.001 0.000 0.346 1047 M C -0.554 175.563 176.300 -0.304 0.000 1.112 1047 M CA -0.140 55.024 55.300 -0.225 0.000 1.021 1047 M CB 0.076 32.622 32.600 -0.090 0.000 1.530 1047 M HN 0.393 nan 8.290 nan 0.000 0.437 1048 Y N 1.638 121.833 120.300 -0.175 0.000 2.342 1048 Y HA 0.604 5.155 4.550 0.002 0.000 0.334 1048 Y C 0.206 176.016 175.900 -0.150 0.000 1.067 1048 Y CA -0.971 56.978 58.100 -0.251 0.000 1.128 1048 Y CB 1.891 40.065 38.460 -0.477 0.000 1.200 1048 Y HN 0.322 nan 8.280 nan 0.000 0.464 1049 V N 4.774 124.684 119.914 -0.007 0.000 2.823 1049 V HA 0.358 4.479 4.120 0.001 0.000 0.312 1049 V C -0.579 175.379 176.094 -0.227 0.000 1.072 1049 V CA -1.033 61.180 62.300 -0.145 0.000 0.937 1049 V CB 2.305 33.990 31.823 -0.230 0.000 1.013 1049 V HN 0.585 nan 8.190 nan 0.000 0.430 1050 L N 3.846 124.865 121.223 -0.339 0.000 2.275 1050 L HA 0.517 4.858 4.340 0.001 0.000 0.288 1050 L C 0.120 176.481 176.870 -0.847 0.000 1.046 1050 L CA -0.193 54.287 54.840 -0.599 0.000 0.805 1050 L CB 1.187 42.830 42.059 -0.695 0.000 1.193 1050 L HN 0.542 nan 8.230 nan 0.000 0.426 1051 K N 3.932 123.825 120.400 -0.845 0.000 2.240 1051 K HA 0.431 4.752 4.320 0.001 0.000 0.271 1051 K C -1.373 174.646 176.600 -0.967 0.000 1.018 1051 K CA -0.425 55.300 56.287 -0.937 0.000 0.874 1051 K CB 0.647 32.782 32.500 -0.608 0.000 1.098 1051 K HN 0.267 nan 8.250 nan 0.000 0.458 1052 F N 2.227 121.897 119.950 -0.465 0.000 2.404 1052 F HA 0.339 4.867 4.527 0.002 0.000 0.354 1052 F C 0.401 176.016 175.800 -0.308 0.000 1.122 1052 F CA -0.550 57.248 58.000 -0.337 0.000 1.080 1052 F CB 1.998 40.833 39.000 -0.276 0.000 1.131 1052 F HN 0.333 nan 8.300 nan 0.000 0.471 1053 S N 1.009 116.636 115.700 -0.121 0.000 2.543 1053 S HA 0.416 4.887 4.470 0.001 0.000 0.271 1053 S C -0.360 174.162 174.600 -0.131 0.000 1.148 1053 S CA -0.733 57.397 58.200 -0.116 0.000 0.914 1053 S CB 1.317 64.451 63.200 -0.110 0.000 1.096 1053 S HN 0.685 nan 8.310 nan 0.000 0.471 1054 T N 1.587 116.085 114.554 -0.095 0.000 3.465 1054 T HA 0.561 4.912 4.350 0.001 0.000 0.323 1054 T C -0.045 174.644 174.700 -0.018 0.000 1.774 1054 T CA -0.447 61.611 62.100 -0.069 0.000 1.348 1054 T CB -0.458 68.401 68.868 -0.014 0.000 1.147 1054 T HN 0.624 nan 8.240 nan 0.000 0.778 1055 K N 0.071 120.467 120.400 -0.006 0.000 3.020 1055 K HA 0.272 4.593 4.320 0.001 0.000 0.133 1055 K C 0.892 177.494 176.600 0.003 0.000 1.033 1055 K CA 0.125 56.409 56.287 -0.004 0.000 1.091 1055 K CB 0.158 32.659 32.500 0.001 0.000 0.737 1055 K HN 0.570 nan 8.250 nan 0.000 0.374 1056 G N 0.126 108.932 108.800 0.010 0.000 2.905 1056 G HA2 -0.167 3.793 3.960 0.001 0.000 0.196 1056 G HA3 -0.167 3.793 3.960 0.001 0.000 0.196 1056 G C -0.142 174.776 174.900 0.032 0.000 1.044 1056 G CA -0.222 44.891 45.100 0.021 0.000 0.778 1056 G HN 0.029 nan 8.290 nan 0.000 0.474 1057 V N 2.482 122.410 119.914 0.023 0.000 2.715 1057 V HA 0.391 4.512 4.120 0.001 0.000 0.299 1057 V C 1.232 177.345 176.094 0.031 0.000 1.054 1057 V CA -0.147 62.163 62.300 0.017 0.000 1.077 1057 V CB 1.326 33.154 31.823 0.008 0.000 0.972 1057 V HN 0.465 nan 8.190 nan 0.000 0.484 1058 R N 5.372 125.872 120.500 -0.001 0.000 2.343 1058 R HA 0.236 4.577 4.340 0.001 0.000 0.326 1058 R C 0.042 176.327 176.300 -0.026 0.000 1.055 1058 R CA -0.002 56.077 56.100 -0.035 0.000 0.961 1058 R CB 0.149 30.327 30.300 -0.203 0.000 0.978 1058 R HN 0.665 nan 8.270 nan 0.000 0.443 1059 R N 4.490 125.029 120.500 0.064 0.000 2.758 1059 R HA 0.434 4.775 4.340 0.001 0.000 0.265 1059 R C -2.268 174.080 176.300 0.081 0.000 1.016 1059 R CA -2.195 53.937 56.100 0.054 0.000 1.040 1059 R CB 1.216 31.553 30.300 0.062 0.000 1.152 1059 R HN 0.533 nan 8.270 nan 0.000 0.503 1060 P HA -0.002 nan 4.420 nan 0.000 0.265 1060 P C -1.325 175.993 177.300 0.030 0.000 1.187 1060 P CA 0.259 63.372 63.100 0.022 0.000 0.766 1060 P CB 0.722 32.411 31.700 -0.018 0.000 0.820 1061 A N 2.900 125.687 122.820 -0.055 0.000 2.435 1061 A HA 0.601 4.922 4.320 0.001 0.000 0.304 1061 A C -1.019 176.642 177.584 0.128 0.000 1.064 1061 A CA -0.668 51.285 52.037 -0.139 0.000 0.727 1061 A CB 1.581 20.044 19.000 -0.894 0.000 1.284 1061 A HN 0.287 nan 8.150 nan 0.000 0.415 1062 V N 2.488 122.610 119.914 0.346 0.000 2.384 1062 V HA 0.321 4.442 4.120 0.001 0.000 0.287 1062 V C -0.581 175.940 176.094 0.712 0.000 1.020 1062 V CA -0.588 62.018 62.300 0.511 0.000 0.850 1062 V CB 1.435 33.451 31.823 0.322 0.000 0.987 1062 V HN 0.853 nan 8.190 nan 0.000 0.436 1063 W N 6.621 128.255 121.300 0.556 0.000 2.338 1063 W HA 0.562 5.223 4.660 0.001 0.000 0.307 1063 W C -1.790 174.741 176.519 0.019 0.000 1.167 1063 W CA -0.775 56.723 57.345 0.255 0.000 1.208 1063 W CB 1.619 30.999 29.460 -0.134 0.000 1.228 1063 W HN 0.352 nan 8.180 nan 0.000 0.499 1064 L N 6.637 127.650 121.223 -0.350 0.000 2.353 1064 L HA 0.244 4.585 4.340 0.001 0.000 0.270 1064 L C -0.107 176.559 176.870 -0.340 0.000 1.003 1064 L CA -0.518 54.202 54.840 -0.199 0.000 0.862 1064 L CB 1.005 43.032 42.059 -0.052 0.000 1.221 1064 L HN 0.472 nan 8.230 nan 0.000 0.430 1065 N N 2.239 120.880 118.700 -0.098 0.000 2.384 1065 N HA 0.944 5.685 4.740 0.001 0.000 0.301 1065 N C -0.855 174.707 175.510 0.087 0.000 1.133 1065 N CA -0.848 52.241 53.050 0.065 0.000 0.853 1065 N CB 2.637 41.360 38.487 0.394 0.000 1.241 1065 N HN 0.462 nan 8.380 nan 0.000 0.502 1066 A N -0.094 122.769 122.820 0.072 0.000 2.566 1066 A HA 0.798 5.118 4.320 0.001 0.000 0.292 1066 A C 0.646 178.243 177.584 0.021 0.000 1.112 1066 A CA -0.336 51.730 52.037 0.049 0.000 0.707 1066 A CB 0.939 19.971 19.000 0.053 0.000 1.302 1066 A HN 1.445 nan 8.150 nan 0.000 0.409 1067 G N -0.114 108.683 108.800 -0.006 0.000 2.160 1067 G HA2 -0.235 3.726 3.960 0.001 0.000 0.251 1067 G HA3 -0.235 3.726 3.960 0.001 0.000 0.251 1067 G C 0.813 175.722 174.900 0.016 0.000 1.008 1067 G CA 0.668 45.771 45.100 0.004 0.000 0.724 1067 G HN 1.149 nan 8.290 nan 0.000 0.514 1068 I N -0.161 120.363 120.570 -0.076 0.000 2.226 1068 I HA -0.017 4.154 4.170 0.001 0.000 0.245 1068 I C 1.404 177.487 176.117 -0.057 0.000 1.100 1068 I CA 1.235 62.489 61.300 -0.077 0.000 1.374 1068 I CB 0.057 37.971 38.000 -0.144 0.000 1.057 1068 I HN 0.468 nan 8.210 nan 0.000 0.413 1069 H N -0.736 118.354 119.070 0.035 0.000 2.552 1069 H HA 0.146 4.703 4.556 0.001 0.000 0.311 1069 H C 1.421 176.812 175.328 0.105 0.000 1.071 1069 H CA 0.002 56.090 56.048 0.068 0.000 1.307 1069 H CB 1.123 30.925 29.762 0.066 0.000 1.416 1069 H HN 0.154 nan 8.280 nan 0.000 0.464 1070 S N 3.902 119.777 115.700 0.292 0.000 2.368 1070 S HA -0.228 4.243 4.470 0.001 0.000 0.224 1070 S C 1.978 176.853 174.600 0.459 0.000 1.029 1070 S CA 0.820 59.255 58.200 0.393 0.000 0.988 1070 S CB -0.124 63.362 63.200 0.477 0.000 0.838 1070 S HN 0.768 nan 8.310 nan 0.000 0.462 1071 R N 2.036 122.656 120.500 0.200 0.000 2.303 1071 R HA -0.008 4.333 4.340 0.001 0.000 0.225 1071 R C 0.295 176.598 176.300 0.004 0.000 1.114 1071 R CA 1.299 57.377 56.100 -0.037 0.000 1.007 1071 R CB -0.753 29.257 30.300 -0.483 0.000 0.861 1071 R HN 0.494 nan 8.270 nan 0.000 0.471 1072 E N 0.899 121.211 120.200 0.187 0.000 2.594 1072 E HA -0.041 4.309 4.350 0.001 0.000 0.300 1072 E C -0.144 176.713 176.600 0.428 0.000 1.568 1072 E CA -0.497 56.097 56.400 0.323 0.000 1.811 1072 E CB -0.115 29.781 29.700 0.327 0.000 1.458 1072 E HN 0.370 nan 8.360 nan 0.000 0.470 1073 W N 0.297 121.681 121.300 0.139 0.000 2.321 1073 W HA -0.214 4.446 4.660 0.001 0.000 0.285 1073 W C 1.836 178.524 176.519 0.281 0.000 1.213 1073 W CA 0.345 57.783 57.345 0.155 0.000 1.205 1073 W CB -0.544 28.821 29.460 -0.159 0.000 1.134 1073 W HN 0.380 nan 8.180 nan 0.000 0.549 1074 I N 0.924 121.793 120.570 0.498 0.000 2.493 1074 I HA -0.259 3.912 4.170 0.001 0.000 0.254 1074 I C 2.584 178.888 176.117 0.311 0.000 1.160 1074 I CA 1.974 63.532 61.300 0.429 0.000 1.445 1074 I CB -0.821 37.379 38.000 0.333 0.000 1.086 1074 I HN -0.050 nan 8.210 nan 0.000 0.433 1075 S N -0.183 115.685 115.700 0.279 0.000 2.345 1075 S HA -0.251 4.220 4.470 0.001 0.000 0.220 1075 S C 1.939 176.628 174.600 0.148 0.000 1.031 1075 S CA 1.120 59.438 58.200 0.198 0.000 0.996 1075 S CB -0.780 62.519 63.200 0.165 0.000 0.882 1075 S HN 0.508 nan 8.310 nan 0.000 0.445 1076 Q N 1.878 121.748 119.800 0.116 0.000 2.096 1076 Q HA 0.145 4.486 4.340 0.001 0.000 0.204 1076 Q C 2.512 178.582 176.000 0.117 0.000 0.982 1076 Q CA 1.839 57.652 55.803 0.017 0.000 0.850 1076 Q CB -0.828 27.774 28.738 -0.227 0.000 0.901 1076 Q HN 0.762 nan 8.270 nan 0.000 0.422 1077 A N -0.370 122.584 122.820 0.225 0.000 1.897 1077 A HA -0.132 4.189 4.320 0.001 0.000 0.215 1077 A C 2.242 179.969 177.584 0.237 0.000 1.181 1077 A CA 1.658 53.855 52.037 0.266 0.000 0.620 1077 A CB -0.857 18.311 19.000 0.279 0.000 0.821 1077 A HN 0.353 nan 8.150 nan 0.000 0.443 1078 T N 0.527 115.190 114.554 0.181 0.000 2.684 1078 T HA -0.111 4.240 4.350 0.001 0.000 0.267 1078 T C 2.226 177.036 174.700 0.183 0.000 1.036 1078 T CA 1.790 63.968 62.100 0.129 0.000 1.148 1078 T CB -0.495 68.422 68.868 0.083 0.000 0.863 1078 T HN 0.598 nan 8.240 nan 0.000 0.436 1079 A N 0.845 123.756 122.820 0.151 0.000 1.908 1079 A HA -0.082 4.238 4.320 0.001 0.000 0.218 1079 A C 2.243 179.908 177.584 0.134 0.000 1.181 1079 A CA 1.518 53.628 52.037 0.121 0.000 0.627 1079 A CB -0.670 18.376 19.000 0.078 0.000 0.818 1079 A HN 0.469 nan 8.150 nan 0.000 0.445 1080 I N -2.155 118.527 120.570 0.186 0.000 2.617 1080 I HA -0.047 4.124 4.170 0.001 0.000 0.256 1080 I C 1.937 178.191 176.117 0.227 0.000 1.167 1080 I CA 0.553 61.971 61.300 0.197 0.000 1.469 1080 I CB -0.326 37.801 38.000 0.210 0.000 1.098 1080 I HN 0.601 nan 8.210 nan 0.000 0.436 1081 W N 0.900 122.238 121.300 0.062 0.000 2.358 1081 W HA -0.237 4.423 4.660 0.001 0.000 0.303 1081 W C 2.280 178.560 176.519 -0.398 0.000 1.208 1081 W CA 2.140 59.343 57.345 -0.237 0.000 1.274 1081 W CB -0.383 29.005 29.460 -0.121 0.000 1.138 1081 W HN -0.005 nan 8.180 nan 0.000 0.515 1082 T N 0.853 115.480 114.554 0.122 0.000 2.720 1082 T HA -0.252 4.099 4.350 0.001 0.000 0.268 1082 T C 1.949 176.342 174.700 -0.511 0.000 1.037 1082 T CA 2.011 63.992 62.100 -0.200 0.000 1.144 1082 T CB -0.933 67.968 68.868 0.055 0.000 0.864 1082 T HN 0.300 nan 8.240 nan 0.000 0.444 1083 A N 1.704 124.361 122.820 -0.272 0.000 1.908 1083 A HA -0.163 4.158 4.320 0.001 0.000 0.218 1083 A C 2.267 179.587 177.584 -0.440 0.000 1.181 1083 A CA 2.059 53.974 52.037 -0.204 0.000 0.627 1083 A CB -0.527 18.524 19.000 0.084 0.000 0.818 1083 A HN 0.321 nan 8.150 nan 0.000 0.445 1084 R N -0.142 120.024 120.500 -0.558 0.000 2.115 1084 R HA -0.058 4.283 4.340 0.001 0.000 0.226 1084 R C 1.953 177.713 176.300 -0.900 0.000 1.100 1084 R CA 1.861 57.551 56.100 -0.683 0.000 0.980 1084 R CB -0.347 29.392 30.300 -0.933 0.000 0.875 1084 R HN 0.389 nan 8.270 nan 0.000 0.445 1085 K N 0.633 120.296 120.400 -1.229 0.000 2.025 1085 K HA 0.024 4.345 4.320 0.001 0.000 0.207 1085 K C 1.834 177.839 176.600 -0.993 0.000 1.049 1085 K CA 1.751 57.215 56.287 -1.372 0.000 0.933 1085 K CB -0.478 30.776 32.500 -2.076 0.000 0.714 1085 K HN 0.251 nan 8.250 nan 0.000 0.438 1086 I N 0.844 120.818 120.570 -0.994 0.000 2.151 1086 I HA -0.302 3.869 4.170 0.001 0.000 0.243 1086 I C 2.092 177.837 176.117 -0.620 0.000 1.080 1086 I CA 1.739 62.590 61.300 -0.749 0.000 1.339 1086 I CB -0.414 36.936 38.000 -1.082 0.000 1.039 1086 I HN 0.122 nan 8.210 nan 0.000 0.409 1087 V N -3.803 115.665 119.914 -0.744 0.000 2.951 1087 V HA -0.015 4.105 4.120 0.001 0.000 0.255 1087 V C 1.997 177.551 176.094 -0.900 0.000 1.088 1087 V CA 1.440 63.192 62.300 -0.914 0.000 1.109 1087 V CB -0.024 31.095 31.823 -1.173 0.000 0.724 1087 V HN 0.239 nan 8.190 nan 0.000 0.471 1088 S N 0.160 115.507 115.700 -0.588 0.000 2.524 1088 S HA 0.066 4.537 4.470 0.001 0.000 0.216 1088 S C 1.282 175.736 174.600 -0.244 0.000 0.987 1088 S CA 0.878 58.873 58.200 -0.342 0.000 0.909 1088 S CB -0.066 62.944 63.200 -0.317 0.000 0.781 1088 S HN 0.642 nan 8.310 nan 0.000 0.521 1089 D N -0.364 119.878 120.400 -0.264 0.000 2.417 1089 D HA 0.175 4.816 4.640 0.001 0.000 0.207 1089 D C -0.073 176.184 176.300 -0.071 0.000 1.075 1089 D CA -0.197 53.719 54.000 -0.140 0.000 0.851 1089 D CB 0.167 40.904 40.800 -0.106 0.000 0.976 1089 D HN 0.328 nan 8.370 nan 0.000 0.505 1090 Y N 2.019 122.190 120.300 -0.216 0.000 2.620 1090 Y HA 0.031 4.582 4.550 0.002 0.000 0.330 1090 Y C 1.193 177.032 175.900 -0.101 0.000 1.186 1090 Y CA 0.737 58.742 58.100 -0.158 0.000 1.467 1090 Y CB 0.286 38.622 38.460 -0.206 0.000 1.262 1090 Y HN 0.052 nan 8.280 nan 0.000 0.550 1091 Q N 1.755 121.101 119.800 -0.756 0.000 2.258 1091 Q HA -0.359 3.982 4.340 0.001 0.000 0.167 1091 Q C 1.337 177.194 176.000 -0.239 0.000 0.586 1091 Q CA 1.904 57.396 55.803 -0.518 0.000 1.398 1091 Q CB -0.662 27.833 28.738 -0.405 0.000 1.415 1091 Q HN 0.866 nan 8.270 nan 0.000 0.903 1092 R N 0.033 120.432 120.500 -0.169 0.000 2.098 1092 R HA 0.074 4.415 4.340 0.001 0.000 0.203 1092 R C 0.224 176.480 176.300 -0.074 0.000 1.166 1092 R CA 0.566 56.609 56.100 -0.096 0.000 1.090 1092 R CB 0.194 30.452 30.300 -0.070 0.000 0.992 1092 R HN 0.054 nan 8.270 nan 0.000 0.477 1093 D N 1.554 121.919 120.400 -0.058 0.000 2.325 1093 D HA 0.087 4.728 4.640 0.001 0.000 0.251 1093 D C -1.929 174.339 176.300 -0.052 0.000 1.196 1093 D CA -2.259 51.725 54.000 -0.027 0.000 0.866 1093 D CB 1.617 42.437 40.800 0.034 0.000 1.101 1093 D HN -0.152 nan 8.370 nan 0.000 0.476 1094 P HA -0.095 nan 4.420 nan 0.000 0.218 1094 P C 0.822 178.091 177.300 -0.052 0.000 1.148 1094 P CA 1.182 64.243 63.100 -0.065 0.000 0.822 1094 P CB 0.203 31.870 31.700 -0.054 0.000 0.784 1095 A N -0.541 122.252 122.820 -0.044 0.000 1.855 1095 A HA -0.163 4.158 4.320 0.001 0.000 0.215 1095 A C 2.159 179.717 177.584 -0.043 0.000 1.191 1095 A CA 1.445 53.449 52.037 -0.055 0.000 0.613 1095 A CB -1.581 17.371 19.000 -0.081 0.000 0.829 1095 A HN 0.156 nan 8.150 nan 0.000 0.442 1096 I N -0.207 120.358 120.570 -0.007 0.000 2.493 1096 I HA -0.130 4.041 4.170 0.001 0.000 0.254 1096 I C 2.266 178.428 176.117 0.075 0.000 1.160 1096 I CA 1.982 63.310 61.300 0.046 0.000 1.445 1096 I CB -0.317 37.785 38.000 0.170 0.000 1.086 1096 I HN 0.301 nan 8.210 nan 0.000 0.433 1097 T N -0.156 114.413 114.554 0.024 0.000 2.701 1097 T HA -0.164 4.187 4.350 0.001 0.000 0.263 1097 T C 2.052 176.775 174.700 0.039 0.000 1.040 1097 T CA 1.850 63.943 62.100 -0.012 0.000 1.147 1097 T CB -0.544 68.193 68.868 -0.218 0.000 0.865 1097 T HN 0.597 nan 8.240 nan 0.000 0.426 1098 S N 1.179 116.877 115.700 -0.004 0.000 2.423 1098 S HA 0.003 4.474 4.470 0.001 0.000 0.231 1098 S C 2.088 176.697 174.600 0.015 0.000 1.014 1098 S CA 0.594 58.794 58.200 0.000 0.000 0.965 1098 S CB -0.762 62.424 63.200 -0.024 0.000 0.785 1098 S HN 0.456 nan 8.310 nan 0.000 0.495 1099 I N 1.186 121.764 120.570 0.014 0.000 2.179 1099 I HA -0.108 4.063 4.170 0.001 0.000 0.242 1099 I C 2.465 178.607 176.117 0.042 0.000 1.088 1099 I CA 1.246 62.554 61.300 0.013 0.000 1.357 1099 I CB -0.274 37.723 38.000 -0.005 0.000 1.051 1099 I HN 0.283 nan 8.210 nan 0.000 0.409 1100 L N 0.097 121.368 121.223 0.079 0.000 2.201 1100 L HA -0.200 4.141 4.340 0.001 0.000 0.212 1100 L C 2.369 179.291 176.870 0.086 0.000 1.105 1100 L CA 0.962 55.851 54.840 0.081 0.000 0.775 1100 L CB -0.351 41.769 42.059 0.101 0.000 0.913 1100 L HN 0.227 nan 8.230 nan 0.000 0.440 1101 E N 0.116 120.383 120.200 0.112 0.000 2.118 1101 E HA -0.212 4.139 4.350 0.001 0.000 0.195 1101 E C 1.768 178.396 176.600 0.048 0.000 0.992 1101 E CA 1.243 57.695 56.400 0.086 0.000 0.804 1101 E CB 0.282 30.019 29.700 0.062 0.000 0.741 1101 E HN 0.223 nan 8.360 nan 0.000 0.458 1102 K N -1.447 118.974 120.400 0.035 0.000 2.399 1102 K HA 0.268 4.589 4.320 0.001 0.000 0.196 1102 K C 0.384 176.999 176.600 0.025 0.000 1.103 1102 K CA 0.282 56.582 56.287 0.022 0.000 0.986 1102 K CB 0.915 33.421 32.500 0.010 0.000 0.952 1102 K HN 0.141 nan 8.250 nan 0.000 0.541 1103 M N 1.007 120.627 119.600 0.034 0.000 2.591 1103 M HA 0.313 4.793 4.480 0.001 0.000 0.306 1103 M C -1.274 175.055 176.300 0.050 0.000 1.190 1103 M CA -0.772 54.555 55.300 0.046 0.000 0.889 1103 M CB 2.193 34.824 32.600 0.051 0.000 1.728 1103 M HN -0.230 nan 8.290 nan 0.000 0.458 1104 D N 1.888 122.332 120.400 0.074 0.000 2.175 1104 D HA 0.628 5.269 4.640 0.001 0.000 0.248 1104 D C -0.807 175.549 176.300 0.093 0.000 1.047 1104 D CA -0.048 53.976 54.000 0.041 0.000 0.883 1104 D CB 1.399 42.264 40.800 0.108 0.000 1.180 1104 D HN 0.360 nan 8.370 nan 0.000 0.438 1105 I N 1.599 122.185 120.570 0.027 0.000 2.474 1105 I HA 0.378 4.548 4.170 0.001 0.000 0.294 1105 I C -0.593 175.496 176.117 -0.047 0.000 1.005 1105 I CA -0.826 60.567 61.300 0.155 0.000 1.113 1105 I CB 1.222 39.339 38.000 0.195 0.000 1.289 1105 I HN 0.087 nan 8.210 nan 0.000 0.436 1106 F N 6.242 126.227 119.950 0.059 0.000 2.444 1106 F HA 0.545 5.072 4.527 0.001 0.000 0.342 1106 F C -0.416 175.067 175.800 -0.528 0.000 1.121 1106 F CA -0.865 56.993 58.000 -0.237 0.000 0.997 1106 F CB 1.818 40.701 39.000 -0.194 0.000 1.130 1106 F HN 0.218 nan 8.300 nan 0.000 0.454 1107 L N 5.522 126.534 121.223 -0.351 0.000 2.349 1107 L HA 0.595 4.936 4.340 0.001 0.000 0.278 1107 L C -1.612 175.055 176.870 -0.337 0.000 0.996 1107 L CA -0.791 53.864 54.840 -0.309 0.000 0.825 1107 L CB 1.457 43.518 42.059 0.004 0.000 1.243 1107 L HN 0.565 nan 8.230 nan 0.000 0.412 1108 L N 8.850 129.860 121.223 -0.355 0.000 2.360 1108 L HA 0.598 4.939 4.340 0.001 0.000 0.265 1108 L C -1.970 174.892 176.870 -0.013 0.000 1.066 1108 L CA -1.735 53.030 54.840 -0.124 0.000 0.929 1108 L CB 0.924 43.001 42.059 0.031 0.000 1.306 1108 L HN 0.461 nan 8.230 nan 0.000 0.434 1109 P HA -0.132 nan 4.420 nan 0.000 0.216 1109 P C -0.186 177.112 177.300 -0.004 0.000 1.153 1109 P CA 1.149 64.264 63.100 0.024 0.000 0.858 1109 P CB 0.143 31.872 31.700 0.048 0.000 0.789 1110 V N -1.121 118.810 119.914 0.028 0.000 2.315 1110 V HA 0.413 4.534 4.120 0.001 0.000 0.265 1110 V C 1.180 177.322 176.094 0.080 0.000 1.019 1110 V CA -0.315 61.973 62.300 -0.021 0.000 0.824 1110 V CB 0.182 31.940 31.823 -0.108 0.000 1.072 1110 V HN -0.010 nan 8.190 nan 0.000 0.448 1111 A N 2.839 125.716 122.820 0.095 0.000 2.125 1111 A HA -0.098 4.223 4.320 0.001 0.000 0.219 1111 A C 1.296 178.960 177.584 0.134 0.000 1.156 1111 A CA 1.784 53.908 52.037 0.145 0.000 0.671 1111 A CB -0.227 18.881 19.000 0.179 0.000 0.794 1111 A HN 0.687 nan 8.150 nan 0.000 0.459 1112 N N -1.280 117.496 118.700 0.126 0.000 2.765 1112 N HA 0.274 5.015 4.740 0.001 0.000 0.277 1112 N C -2.527 173.101 175.510 0.197 0.000 1.750 1112 N CA -1.997 51.150 53.050 0.163 0.000 0.827 1112 N CB 0.876 39.472 38.487 0.181 0.000 1.200 1112 N HN -0.078 nan 8.380 nan 0.000 0.494 1113 P HA -0.010 nan 4.420 nan 0.000 0.218 1113 P C 0.528 177.953 177.300 0.208 0.000 1.149 1113 P CA 0.976 64.189 63.100 0.189 0.000 0.817 1113 P CB 0.533 32.343 31.700 0.183 0.000 0.785 1114 D N -0.460 120.054 120.400 0.191 0.000 2.097 1114 D HA -0.089 4.552 4.640 0.001 0.000 0.197 1114 D C 2.319 178.728 176.300 0.182 0.000 0.984 1114 D CA 1.735 55.833 54.000 0.164 0.000 0.826 1114 D CB -1.245 39.643 40.800 0.148 0.000 0.973 1114 D HN 0.138 nan 8.370 nan 0.000 0.460 1115 G N -0.314 108.631 108.800 0.242 0.000 2.418 1115 G HA2 -0.312 3.649 3.960 0.001 0.000 0.217 1115 G HA3 -0.312 3.649 3.960 0.001 0.000 0.217 1115 G C 1.582 176.724 174.900 0.404 0.000 1.158 1115 G CA 0.606 45.923 45.100 0.362 0.000 0.771 1115 G HN 0.217 nan 8.290 nan 0.000 0.545 1116 Y N 1.374 121.799 120.300 0.207 0.000 2.049 1116 Y HA -0.186 4.365 4.550 0.001 0.000 0.277 1116 Y C 2.976 178.945 175.900 0.115 0.000 1.143 1116 Y CA 1.599 59.783 58.100 0.140 0.000 1.115 1116 Y CB -0.727 37.747 38.460 0.023 0.000 0.975 1116 Y HN 0.033 nan 8.280 nan 0.000 0.487 1117 V N -0.316 119.617 119.914 0.031 0.000 2.250 1117 V HA -0.390 3.730 4.120 0.001 0.000 0.250 1117 V C 2.133 178.234 176.094 0.013 0.000 1.060 1117 V CA 2.395 64.669 62.300 -0.044 0.000 1.030 1117 V CB -1.229 30.618 31.823 0.040 0.000 0.643 1117 V HN 0.597 nan 8.190 nan 0.000 0.445 1118 Y N 1.850 122.128 120.300 -0.037 0.000 2.114 1118 Y HA -0.343 4.208 4.550 0.000 0.000 0.282 1118 Y C 2.916 178.823 175.900 0.011 0.000 1.165 1118 Y CA 2.451 60.512 58.100 -0.065 0.000 1.148 1118 Y CB -0.692 37.655 38.460 -0.188 0.000 0.972 1118 Y HN 0.501 nan 8.280 nan 0.000 0.504 1119 T N -2.048 112.629 114.554 0.206 0.000 2.849 1119 T HA -0.237 4.114 4.350 0.001 0.000 0.270 1119 T C 1.427 176.219 174.700 0.154 0.000 1.066 1119 T CA 1.829 64.063 62.100 0.224 0.000 1.130 1119 T CB -0.324 68.820 68.868 0.461 0.000 0.864 1119 T HN 0.567 nan 8.240 nan 0.000 0.481 1120 Q N 0.510 120.318 119.800 0.013 0.000 2.384 1120 Q HA 0.110 4.451 4.340 0.001 0.000 0.207 1120 Q C 2.082 178.061 176.000 -0.036 0.000 0.904 1120 Q CA 1.239 57.049 55.803 0.011 0.000 0.933 1120 Q CB 0.454 29.077 28.738 -0.192 0.000 1.077 1120 Q HN 0.858 nan 8.270 nan 0.000 0.522 1121 T N -3.648 110.847 114.554 -0.098 0.000 2.954 1121 T HA 0.161 4.512 4.350 0.001 0.000 0.252 1121 T C 1.540 176.121 174.700 -0.198 0.000 0.983 1121 T CA -0.129 61.901 62.100 -0.116 0.000 0.941 1121 T CB 0.462 69.272 68.868 -0.096 0.000 1.141 1121 T HN -0.071 nan 8.240 nan 0.000 0.500 1122 Q N 0.353 119.937 119.800 -0.359 0.000 2.563 1122 Q HA 0.337 4.678 4.340 0.001 0.000 0.236 1122 Q C -0.272 175.470 176.000 -0.431 0.000 0.792 1122 Q CA 0.279 55.773 55.803 -0.516 0.000 0.960 1122 Q CB 0.491 28.664 28.738 -0.941 0.000 1.304 1122 Q HN 0.405 nan 8.270 nan 0.000 0.566 1123 N N 0.794 119.234 118.700 -0.434 0.000 2.594 1123 N HA 0.144 4.885 4.740 0.001 0.000 0.280 1123 N C 0.075 175.678 175.510 0.155 0.000 1.156 1123 N CA 0.053 53.092 53.050 -0.019 0.000 0.831 1123 N CB 1.482 40.058 38.487 0.149 0.000 1.379 1123 N HN -0.094 nan 8.380 nan 0.000 0.536 1124 R N 2.670 123.285 120.500 0.191 0.000 2.200 1124 R HA 0.059 4.400 4.340 0.001 0.000 0.234 1124 R C 0.528 176.794 176.300 -0.056 0.000 1.127 1124 R CA 1.510 57.632 56.100 0.036 0.000 0.989 1124 R CB -0.112 30.144 30.300 -0.073 0.000 0.869 1124 R HN 0.492 nan 8.270 nan 0.000 0.459 1125 L N 0.155 121.397 121.223 0.030 0.000 2.741 1125 L HA 0.224 4.565 4.340 0.001 0.000 0.237 1125 L C -0.258 176.628 176.870 0.028 0.000 1.178 1125 L CA -0.209 54.571 54.840 -0.101 0.000 0.973 1125 L CB -0.485 41.506 42.059 -0.113 0.000 1.255 1125 L HN 0.242 nan 8.230 nan 0.000 0.498 1126 W N 1.939 123.273 121.300 0.057 0.000 2.190 1126 W HA 0.111 4.772 4.660 0.003 0.000 0.330 1126 W C 1.153 177.697 176.519 0.041 0.000 1.299 1126 W CA 0.006 57.428 57.345 0.129 0.000 1.215 1126 W CB 0.882 30.560 29.460 0.365 0.000 1.147 1126 W HN 0.357 nan 8.180 nan 0.000 0.563 1127 R N 2.458 122.644 120.500 -0.523 0.000 2.435 1127 R HA 0.220 4.561 4.340 0.001 0.000 0.221 1127 R C 0.240 176.465 176.300 -0.125 0.000 0.885 1127 R CA -0.237 55.708 56.100 -0.259 0.000 1.018 1127 R CB 0.287 30.375 30.300 -0.353 0.000 1.259 1127 R HN 0.204 nan 8.270 nan 0.000 0.597 1128 K N 1.763 121.887 120.400 -0.460 0.000 2.318 1128 K HA 0.156 4.477 4.320 0.001 0.000 0.243 1128 K C 0.253 177.062 176.600 0.348 0.000 1.047 1128 K CA 0.175 56.436 56.287 -0.044 0.000 0.937 1128 K CB 0.681 33.071 32.500 -0.182 0.000 1.225 1128 K HN 0.120 nan 8.250 nan 0.000 0.506 1129 T N -0.801 113.918 114.554 0.276 0.000 2.652 1129 T HA 0.136 4.487 4.350 0.001 0.000 0.319 1129 T C 0.797 175.652 174.700 0.259 0.000 1.029 1129 T CA -0.366 61.876 62.100 0.237 0.000 0.990 1129 T CB 0.438 69.361 68.868 0.092 0.000 1.098 1129 T HN 0.363 nan 8.240 nan 0.000 0.520 1130 R N 0.420 120.940 120.500 0.034 0.000 2.613 1130 R HA 0.250 4.590 4.340 0.001 0.000 0.361 1130 R C 0.729 176.797 176.300 -0.387 0.000 1.072 1130 R CA -0.205 55.802 56.100 -0.156 0.000 1.089 1130 R CB -0.216 29.960 30.300 -0.206 0.000 1.343 1130 R HN 0.838 nan 8.270 nan 0.000 0.571 1131 S N 0.572 115.900 115.700 -0.619 0.000 2.576 1131 S HA 0.339 4.810 4.470 0.001 0.000 0.276 1131 S C 0.287 174.402 174.600 -0.808 0.000 1.339 1131 S CA -0.449 56.874 58.200 -1.460 0.000 1.039 1131 S CB 1.502 64.214 63.200 -0.813 0.000 0.902 1131 S HN 0.076 nan 8.310 nan 0.000 0.516 1132 R N 1.940 121.960 120.500 -0.800 0.000 2.486 1132 R HA 0.456 4.797 4.340 0.001 0.000 0.286 1132 R C -0.545 175.704 176.300 -0.084 0.000 0.999 1132 R CA -0.358 55.614 56.100 -0.213 0.000 0.993 1132 R CB 0.664 30.980 30.300 0.027 0.000 1.084 1132 R HN 0.711 nan 8.270 nan 0.000 0.487 1133 N N 4.265 122.944 118.700 -0.035 0.000 2.558 1133 N HA 0.185 4.926 4.740 0.001 0.000 0.242 1133 N C -1.973 173.543 175.510 0.010 0.000 0.979 1133 N CA -1.529 51.518 53.050 -0.005 0.000 0.931 1133 N CB 1.669 40.124 38.487 -0.053 0.000 1.122 1133 N HN 0.353 nan 8.380 nan 0.000 0.508 1134 P HA -0.198 nan 4.420 nan 0.000 0.212 1134 P C 1.069 178.384 177.300 0.025 0.000 1.128 1134 P CA 1.647 64.773 63.100 0.044 0.000 0.961 1134 P CB 0.053 31.789 31.700 0.061 0.000 0.782 1135 G N -1.610 107.201 108.800 0.019 0.000 3.124 1135 G HA2 0.100 4.061 3.960 0.001 0.000 0.212 1135 G HA3 0.100 4.061 3.960 0.001 0.000 0.212 1135 G C 0.385 175.278 174.900 -0.012 0.000 1.181 1135 G CA 0.173 45.278 45.100 0.007 0.000 0.803 1135 G HN 0.406 nan 8.290 nan 0.000 0.529 1136 S N -0.914 114.773 115.700 -0.022 0.000 2.526 1136 S HA 0.434 4.905 4.470 0.001 0.000 0.293 1136 S C 1.440 176.023 174.600 -0.029 0.000 1.092 1136 S CA 0.055 58.229 58.200 -0.043 0.000 0.980 1136 S CB 1.626 64.772 63.200 -0.089 0.000 1.048 1136 S HN 0.260 nan 8.310 nan 0.000 0.483 1137 S N 1.773 117.458 115.700 -0.026 0.000 2.453 1137 S HA 0.038 4.509 4.470 0.001 0.000 0.231 1137 S C 0.903 175.495 174.600 -0.014 0.000 1.005 1137 S CA 0.039 58.230 58.200 -0.014 0.000 0.949 1137 S CB -0.700 62.495 63.200 -0.008 0.000 0.774 1137 S HN 0.635 nan 8.310 nan 0.000 0.510 1138 c N 2.566 121.149 118.600 -0.030 0.000 2.657 1138 c HA 0.534 5.105 4.570 0.001 0.000 0.404 1138 c C 0.341 174.427 174.090 -0.006 0.000 1.291 1138 c CA -0.706 55.615 56.329 -0.013 0.000 2.218 1138 c CB -0.420 42.055 42.510 -0.059 0.000 2.687 1138 c HN 0.451 nan 8.230 nan 0.000 0.634 1139 I N 1.980 122.595 120.570 0.077 0.000 2.509 1139 I HA 0.688 4.858 4.170 0.001 0.000 0.293 1139 I C 0.525 176.773 176.117 0.217 0.000 1.020 1139 I CA 0.293 61.638 61.300 0.074 0.000 1.088 1139 I CB 0.413 38.398 38.000 -0.024 0.000 1.267 1139 I HN 1.056 nan 8.210 nan 0.000 0.430 1140 G N 3.870 112.734 108.800 0.107 0.000 2.712 1140 G HA2 0.355 4.316 3.960 0.001 0.000 0.686 1140 G HA3 0.355 4.316 3.960 0.001 0.000 0.686 1140 G C -0.968 174.054 174.900 0.204 0.000 1.321 1140 G CA -0.343 44.862 45.100 0.176 0.000 0.813 1140 G HN 1.137 nan 8.290 nan 0.000 0.599 1141 A N 0.458 123.377 122.820 0.165 0.000 2.384 1141 A HA 0.760 5.081 4.320 0.001 0.000 0.312 1141 A C -0.181 177.473 177.584 0.115 0.000 1.113 1141 A CA 0.113 52.252 52.037 0.170 0.000 0.779 1141 A CB 1.747 20.761 19.000 0.022 0.000 1.307 1141 A HN 1.158 nan 8.150 nan 0.000 0.436 1142 D N 1.661 122.128 120.400 0.112 0.000 2.346 1142 D HA 0.235 4.875 4.640 0.001 0.000 0.260 1142 D C -1.566 174.857 176.300 0.205 0.000 1.252 1142 D CA -1.615 52.486 54.000 0.168 0.000 0.895 1142 D CB 1.158 42.058 40.800 0.167 0.000 1.097 1142 D HN 0.080 nan 8.370 nan 0.000 0.489 1143 P HA -0.107 nan 4.420 nan 0.000 0.216 1143 P C 0.711 178.222 177.300 0.351 0.000 1.150 1143 P CA 0.883 64.098 63.100 0.192 0.000 0.837 1143 P CB 0.218 32.017 31.700 0.165 0.000 0.786 1144 N N -1.238 117.699 118.700 0.396 0.000 2.421 1144 N HA 0.008 4.749 4.740 0.001 0.000 0.201 1144 N C 0.942 176.684 175.510 0.387 0.000 1.198 1144 N CA 0.177 53.491 53.050 0.440 0.000 0.838 1144 N CB -0.233 38.458 38.487 0.340 0.000 1.011 1144 N HN -0.188 nan 8.380 nan 0.000 0.463 1145 R N -1.250 119.465 120.500 0.358 0.000 2.531 1145 R HA 0.302 4.643 4.340 0.001 0.000 0.316 1145 R C 0.895 177.398 176.300 0.339 0.000 0.955 1145 R CA -0.010 56.257 56.100 0.278 0.000 1.120 1145 R CB -0.082 30.329 30.300 0.185 0.000 1.361 1145 R HN 0.172 nan 8.270 nan 0.000 0.534 1146 N N -0.550 118.357 118.700 0.344 0.000 2.299 1146 N HA -0.006 4.735 4.740 0.001 0.000 0.187 1146 N C -0.525 175.040 175.510 0.093 0.000 1.099 1146 N CA -0.031 53.146 53.050 0.211 0.000 0.867 1146 N CB 0.365 38.834 38.487 -0.030 0.000 0.974 1146 N HN 0.005 nan 8.380 nan 0.000 0.477 1147 W N 1.357 122.714 121.300 0.094 0.000 2.126 1147 W HA 0.189 4.850 4.660 0.002 0.000 0.346 1147 W C 0.974 177.578 176.519 0.141 0.000 1.279 1147 W CA -0.470 56.877 57.345 0.002 0.000 1.259 1147 W CB 0.106 29.570 29.460 0.008 0.000 1.133 1147 W HN -0.065 nan 8.180 nan 0.000 0.592 1148 N N 1.605 120.529 118.700 0.372 0.000 3.259 1148 N HA 0.343 5.084 4.740 0.001 0.000 0.308 1148 N C -1.352 174.453 175.510 0.491 0.000 1.334 1148 N CA -0.051 53.224 53.050 0.375 0.000 1.202 1148 N CB -0.504 38.170 38.487 0.312 0.000 1.485 1148 N HN 0.392 nan 8.380 nan 0.000 0.549 1149 A N 0.560 123.654 122.820 0.456 0.000 2.522 1149 A HA 0.455 4.776 4.320 0.001 0.000 0.285 1149 A C 0.412 178.157 177.584 0.267 0.000 1.198 1149 A CA -0.645 51.647 52.037 0.424 0.000 0.742 1149 A CB 0.261 19.600 19.000 0.564 0.000 1.176 1149 A HN 0.350 nan 8.150 nan 0.000 0.444 1150 S N 1.258 116.919 115.700 -0.065 0.000 3.524 1150 S HA -0.215 4.255 4.470 0.001 0.000 0.377 1150 S C 0.040 174.623 174.600 -0.029 0.000 0.949 1150 S CA 0.765 58.819 58.200 -0.242 0.000 1.264 1150 S CB -1.777 60.969 63.200 -0.756 0.000 0.918 1150 S HN 1.651 nan 8.310 nan 0.000 0.517 1151 F N 2.454 122.372 119.950 -0.054 0.000 2.578 1151 F HA 0.386 4.913 4.527 0.001 0.000 0.376 1151 F C 1.047 176.744 175.800 -0.172 0.000 1.085 1151 F CA 0.818 58.778 58.000 -0.068 0.000 1.260 1151 F CB 0.133 39.100 39.000 -0.055 0.000 1.095 1151 F HN 1.105 nan 8.300 nan 0.000 0.573 1152 A N 3.566 125.669 122.820 -1.194 0.000 2.872 1152 A HA -0.126 4.194 4.320 0.001 0.000 0.273 1152 A C 0.792 178.141 177.584 -0.391 0.000 1.442 1152 A CA 0.997 52.398 52.037 -1.061 0.000 0.801 1152 A CB -2.300 15.887 19.000 -1.355 0.000 1.031 1152 A HN 1.562 nan 8.150 nan 0.000 0.582 1153 G N -0.714 107.939 108.800 -0.245 0.000 3.227 1153 G HA2 0.499 4.460 3.960 0.001 0.000 0.171 1153 G HA3 0.499 4.460 3.960 0.001 0.000 0.171 1153 G C 0.128 174.987 174.900 -0.069 0.000 1.463 1153 G CA -0.267 44.753 45.100 -0.133 0.000 1.016 1153 G HN 0.587 nan 8.290 nan 0.000 0.594 1154 K N 0.155 120.528 120.400 -0.044 0.000 2.489 1154 K HA 0.380 4.701 4.320 0.001 0.000 0.278 1154 K C 0.962 177.549 176.600 -0.022 0.000 1.000 1154 K CA 1.117 57.394 56.287 -0.017 0.000 1.012 1154 K CB 0.567 33.058 32.500 -0.015 0.000 0.903 1154 K HN 0.973 nan 8.250 nan 0.000 0.485 1155 G N 0.516 109.327 108.800 0.018 0.000 2.143 1155 G HA2 -0.226 3.735 3.960 0.001 0.000 0.248 1155 G HA3 -0.226 3.735 3.960 0.001 0.000 0.248 1155 G C -0.126 174.819 174.900 0.075 0.000 0.991 1155 G CA 0.153 45.275 45.100 0.035 0.000 0.689 1155 G HN 0.839 nan 8.290 nan 0.000 0.522 1156 A N -1.167 121.699 122.820 0.077 0.000 2.515 1156 A HA 0.925 5.246 4.320 0.001 0.000 0.296 1156 A C -0.084 177.552 177.584 0.087 0.000 1.094 1156 A CA 0.494 52.587 52.037 0.094 0.000 0.718 1156 A CB 1.789 20.852 19.000 0.106 0.000 1.307 1156 A HN 1.428 nan 8.150 nan 0.000 0.408 1157 S N -1.002 114.697 115.700 -0.001 0.000 2.537 1157 S HA 0.444 4.915 4.470 0.001 0.000 0.301 1157 S C 0.281 174.699 174.600 -0.303 0.000 1.092 1157 S CA 0.024 58.197 58.200 -0.044 0.000 1.048 1157 S CB 0.990 64.198 63.200 0.014 0.000 1.053 1157 S HN 0.713 nan 8.310 nan 0.000 0.501 1158 D N 1.976 122.314 120.400 -0.104 0.000 2.340 1158 D HA 0.020 4.661 4.640 0.001 0.000 0.220 1158 D C 0.294 176.645 176.300 0.085 0.000 1.039 1158 D CA 0.073 54.068 54.000 -0.009 0.000 0.866 1158 D CB -0.182 40.725 40.800 0.179 0.000 0.913 1158 D HN 0.342 nan 8.370 nan 0.000 0.523 1159 N N 0.760 119.450 118.700 -0.017 0.000 2.406 1159 N HA 0.142 4.883 4.740 0.001 0.000 0.251 1159 N C -1.847 173.363 175.510 -0.499 0.000 1.069 1159 N CA -2.190 50.761 53.050 -0.165 0.000 0.947 1159 N CB 1.459 39.889 38.487 -0.095 0.000 1.111 1159 N HN -0.264 nan 8.380 nan 0.000 0.497 1160 P HA -0.135 nan 4.420 nan 0.000 0.217 1160 P C 0.629 177.577 177.300 -0.586 0.000 1.148 1160 P CA 1.105 63.403 63.100 -1.337 0.000 0.834 1160 P CB 0.148 31.411 31.700 -0.729 0.000 0.783 1161 c N -1.713 116.696 118.600 -0.319 0.000 2.500 1161 c HA 0.118 4.689 4.570 0.001 0.000 0.273 1161 c C 1.614 175.636 174.090 -0.114 0.000 1.428 1161 c CA -0.039 56.196 56.329 -0.157 0.000 1.766 1161 c CB -1.632 40.813 42.510 -0.107 0.000 1.817 1161 c HN 0.246 nan 8.230 nan 0.000 0.543 1162 S N 0.896 116.529 115.700 -0.112 0.000 2.576 1162 S HA 0.067 4.538 4.470 0.001 0.000 0.276 1162 S C 1.144 175.725 174.600 -0.031 0.000 1.339 1162 S CA -0.062 58.112 58.200 -0.043 0.000 1.039 1162 S CB 0.537 63.737 63.200 0.001 0.000 0.902 1162 S HN 0.423 nan 8.310 nan 0.000 0.516 1163 E N 1.854 122.027 120.200 -0.044 0.000 2.347 1163 E HA -0.042 4.309 4.350 0.001 0.000 0.196 1163 E C 1.272 177.859 176.600 -0.022 0.000 1.008 1163 E CA 0.928 57.276 56.400 -0.088 0.000 0.852 1163 E CB -0.025 29.623 29.700 -0.086 0.000 0.783 1163 E HN 0.651 nan 8.360 nan 0.000 0.505 1164 V N -1.880 118.062 119.914 0.046 0.000 3.085 1164 V HA 0.202 4.323 4.120 0.001 0.000 0.345 1164 V C 0.174 176.319 176.094 0.084 0.000 1.397 1164 V CA -0.893 61.458 62.300 0.085 0.000 1.165 1164 V CB -1.062 30.837 31.823 0.127 0.000 1.153 1164 V HN -0.039 nan 8.190 nan 0.000 0.495 1165 Y N 3.721 123.974 120.300 -0.078 0.000 2.805 1165 Y HA 0.136 4.687 4.550 0.002 0.000 0.331 1165 Y C 1.638 177.486 175.900 -0.086 0.000 1.241 1165 Y CA 0.409 58.409 58.100 -0.167 0.000 1.546 1165 Y CB 0.513 38.894 38.460 -0.130 0.000 1.248 1165 Y HN 0.702 nan 8.280 nan 0.000 0.559 1166 H N 3.311 122.098 119.070 -0.473 0.000 2.535 1166 H HA 0.407 4.964 4.556 0.001 0.000 0.273 1166 H C 1.077 176.200 175.328 -0.342 0.000 0.983 1166 H CA -0.193 55.639 56.048 -0.360 0.000 1.238 1166 H CB -0.431 29.026 29.762 -0.508 0.000 1.412 1166 H HN 0.893 nan 8.280 nan 0.000 0.562 1167 G N 0.317 108.522 108.800 -0.991 0.000 2.661 1167 G HA2 -0.178 3.783 3.960 0.001 0.000 0.685 1167 G HA3 -0.178 3.783 3.960 0.001 0.000 0.685 1167 G C -2.011 172.845 174.900 -0.073 0.000 1.298 1167 G CA -0.435 44.338 45.100 -0.544 0.000 0.855 1167 G HN 0.210 nan 8.290 nan 0.000 0.560 1168 P HA 0.080 nan 4.420 nan 0.000 0.225 1168 P C 0.454 177.872 177.300 0.196 0.000 1.156 1168 P CA 2.132 65.342 63.100 0.184 0.000 0.787 1168 P CB -0.062 31.728 31.700 0.150 0.000 0.802 1169 H N -3.559 115.485 119.070 -0.044 0.000 2.967 1169 H HA 0.688 5.244 4.556 0.001 0.000 0.318 1169 H C -1.159 173.529 175.328 -1.067 0.000 1.375 1169 H CA -1.160 54.588 56.048 -0.499 0.000 1.132 1169 H CB 0.039 29.636 29.762 -0.275 0.000 1.848 1169 H HN -0.022 nan 8.280 nan 0.000 0.524 1170 A N 0.882 122.860 122.820 -1.403 0.000 2.445 1170 A HA 0.253 4.573 4.320 0.001 0.000 0.242 1170 A C 0.365 177.716 177.584 -0.388 0.000 1.075 1170 A CA 0.114 51.553 52.037 -0.997 0.000 0.777 1170 A CB -0.550 18.058 19.000 -0.654 0.000 1.013 1170 A HN 0.926 nan 8.150 nan 0.000 0.493 1171 N N 0.535 119.012 118.700 -0.373 0.000 2.693 1171 N HA -0.239 4.502 4.740 0.001 0.000 0.249 1171 N C 1.099 176.449 175.510 -0.267 0.000 1.119 1171 N CA 1.371 54.208 53.050 -0.355 0.000 0.717 1171 N CB -1.867 36.431 38.487 -0.314 0.000 1.071 1171 N HN 1.055 nan 8.380 nan 0.000 0.555 1172 S N -1.252 114.212 115.700 -0.393 0.000 2.447 1172 S HA -0.101 4.370 4.470 0.001 0.000 0.233 1172 S C 0.549 175.014 174.600 -0.225 0.000 1.006 1172 S CA 0.541 58.445 58.200 -0.492 0.000 0.957 1172 S CB 0.272 62.944 63.200 -0.880 0.000 0.773 1172 S HN 0.220 nan 8.310 nan 0.000 0.507 1173 E N 2.199 122.276 120.200 -0.205 0.000 2.115 1173 E HA 0.245 4.596 4.350 0.001 0.000 0.282 1173 E C 1.300 177.834 176.600 -0.109 0.000 0.987 1173 E CA -0.123 56.207 56.400 -0.116 0.000 0.797 1173 E CB 1.643 31.275 29.700 -0.114 0.000 1.086 1173 E HN 0.267 nan 8.360 nan 0.000 0.397 1174 V N 0.857 120.765 119.914 -0.010 0.000 2.720 1174 V HA -0.248 3.872 4.120 0.001 0.000 0.256 1174 V C 1.389 177.458 176.094 -0.042 0.000 1.082 1174 V CA 1.338 63.632 62.300 -0.009 0.000 1.101 1174 V CB -0.520 31.342 31.823 0.065 0.000 0.693 1174 V HN 0.365 nan 8.190 nan 0.000 0.479 1175 E N 1.076 121.259 120.200 -0.029 0.000 2.077 1175 E HA -0.100 4.251 4.350 0.001 0.000 0.193 1175 E C 2.157 178.670 176.600 -0.144 0.000 0.989 1175 E CA 1.690 58.072 56.400 -0.030 0.000 0.800 1175 E CB -0.475 29.243 29.700 0.030 0.000 0.746 1175 E HN 0.543 nan 8.360 nan 0.000 0.452 1176 V N 0.606 120.340 119.914 -0.301 0.000 2.379 1176 V HA -0.161 3.959 4.120 0.001 0.000 0.243 1176 V C 2.133 177.825 176.094 -0.669 0.000 1.035 1176 V CA 1.317 63.206 62.300 -0.685 0.000 1.035 1176 V CB -0.359 30.880 31.823 -0.974 0.000 0.673 1176 V HN 0.102 nan 8.190 nan 0.000 0.457 1177 K N 1.126 121.267 120.400 -0.433 0.000 2.015 1177 K HA -0.214 4.107 4.320 0.001 0.000 0.216 1177 K C 2.359 178.817 176.600 -0.237 0.000 1.052 1177 K CA 2.276 58.381 56.287 -0.304 0.000 0.937 1177 K CB -0.992 31.408 32.500 -0.166 0.000 0.719 1177 K HN 0.381 nan 8.250 nan 0.000 0.446 1178 S N -0.452 115.151 115.700 -0.162 0.000 2.378 1178 S HA -0.194 4.277 4.470 0.001 0.000 0.229 1178 S C 1.955 176.494 174.600 -0.103 0.000 1.052 1178 S CA 1.741 59.889 58.200 -0.087 0.000 1.084 1178 S CB -0.514 62.656 63.200 -0.051 0.000 0.950 1178 S HN 0.182 nan 8.310 nan 0.000 0.440 1179 V N 1.036 120.820 119.914 -0.216 0.000 2.323 1179 V HA -0.110 4.011 4.120 0.001 0.000 0.244 1179 V C 2.307 178.176 176.094 -0.376 0.000 1.041 1179 V CA 1.334 63.438 62.300 -0.327 0.000 1.025 1179 V CB -0.776 30.892 31.823 -0.259 0.000 0.656 1179 V HN 0.337 nan 8.190 nan 0.000 0.451 1180 V N 0.480 120.096 119.914 -0.496 0.000 2.282 1180 V HA -0.316 3.804 4.120 0.001 0.000 0.249 1180 V C 2.303 178.331 176.094 -0.110 0.000 1.057 1180 V CA 2.435 64.453 62.300 -0.471 0.000 1.032 1180 V CB -0.714 30.754 31.823 -0.592 0.000 0.645 1180 V HN 0.559 nan 8.190 nan 0.000 0.447 1181 D N -1.036 119.310 120.400 -0.090 0.000 2.144 1181 D HA -0.134 4.506 4.640 0.001 0.000 0.200 1181 D C 1.855 178.190 176.300 0.059 0.000 0.978 1181 D CA 1.066 55.068 54.000 0.004 0.000 0.833 1181 D CB -0.281 40.521 40.800 0.004 0.000 0.961 1181 D HN 0.449 nan 8.370 nan 0.000 0.470 1182 F N 0.990 120.894 119.950 -0.077 0.000 2.134 1182 F HA -0.082 4.445 4.527 0.001 0.000 0.299 1182 F C 2.176 177.978 175.800 0.003 0.000 1.097 1182 F CA 1.058 59.044 58.000 -0.023 0.000 1.264 1182 F CB -0.096 38.891 39.000 -0.023 0.000 1.001 1182 F HN -0.133 nan 8.300 nan 0.000 0.479 1183 I N -0.205 120.376 120.570 0.018 0.000 2.252 1183 I HA -0.293 3.878 4.170 0.001 0.000 0.245 1183 I C 2.321 178.553 176.117 0.192 0.000 1.102 1183 I CA 1.319 62.596 61.300 -0.038 0.000 1.385 1183 I CB -0.462 37.433 38.000 -0.174 0.000 1.064 1183 I HN 0.196 nan 8.210 nan 0.000 0.414 1184 Q N 0.313 120.222 119.800 0.182 0.000 2.167 1184 Q HA -0.245 4.096 4.340 0.001 0.000 0.202 1184 Q C 2.174 178.234 176.000 0.101 0.000 0.970 1184 Q CA 1.329 57.234 55.803 0.170 0.000 0.855 1184 Q CB -0.055 28.790 28.738 0.179 0.000 0.911 1184 Q HN 0.389 nan 8.270 nan 0.000 0.438 1185 K N 0.200 120.624 120.400 0.040 0.000 1.984 1185 K HA -0.230 4.090 4.320 0.001 0.000 0.209 1185 K C 2.223 178.814 176.600 -0.015 0.000 1.046 1185 K CA 1.274 57.550 56.287 -0.017 0.000 0.934 1185 K CB -0.282 32.168 32.500 -0.083 0.000 0.717 1185 K HN 0.253 nan 8.250 nan 0.000 0.438 1186 H N 0.034 119.008 119.070 -0.160 0.000 2.289 1186 H HA -0.165 4.392 4.556 0.001 0.000 0.294 1186 H C 1.311 176.648 175.328 0.016 0.000 1.095 1186 H CA 2.510 58.498 56.048 -0.099 0.000 1.256 1186 H CB -0.367 29.346 29.762 -0.081 0.000 1.359 1186 H HN 0.623 nan 8.280 nan 0.000 0.487 1187 G N 0.584 109.577 108.800 0.323 0.000 2.196 1187 G HA2 -0.332 3.629 3.960 0.001 0.000 0.268 1187 G HA3 -0.332 3.629 3.960 0.001 0.000 0.268 1187 G C 0.619 175.657 174.900 0.230 0.000 0.975 1187 G CA 0.830 46.063 45.100 0.222 0.000 0.648 1187 G HN 0.581 nan 8.290 nan 0.000 0.538 1188 N N -0.442 118.483 118.700 0.375 0.000 2.480 1188 N HA 0.389 5.130 4.740 0.001 0.000 0.281 1188 N C -0.419 175.217 175.510 0.211 0.000 1.381 1188 N CA -0.583 52.592 53.050 0.208 0.000 0.903 1188 N CB -0.025 38.466 38.487 0.007 0.000 1.274 1188 N HN 0.171 nan 8.380 nan 0.000 0.505 1189 F N 0.798 120.904 119.950 0.259 0.000 2.438 1189 F HA 0.267 4.795 4.527 0.002 0.000 0.356 1189 F C 1.664 177.578 175.800 0.190 0.000 1.099 1189 F CA -0.164 57.961 58.000 0.209 0.000 1.185 1189 F CB 1.265 40.396 39.000 0.218 0.000 1.115 1189 F HN -0.127 nan 8.300 nan 0.000 0.526 1190 K N 2.087 122.669 120.400 0.305 0.000 2.335 1190 K HA 0.278 4.599 4.320 0.001 0.000 0.195 1190 K C 0.782 177.681 176.600 0.498 0.000 1.058 1190 K CA 0.315 56.757 56.287 0.258 0.000 0.988 1190 K CB 0.496 33.043 32.500 0.078 0.000 0.880 1190 K HN 0.707 nan 8.250 nan 0.000 0.513 1191 G N 0.449 109.575 108.800 0.543 0.000 2.612 1191 G HA2 0.576 4.537 3.960 0.001 0.000 0.298 1191 G HA3 0.576 4.537 3.960 0.001 0.000 0.298 1191 G C -1.850 173.459 174.900 0.683 0.000 1.336 1191 G CA -0.407 45.058 45.100 0.609 0.000 0.953 1191 G HN 0.003 nan 8.290 nan 0.000 0.482 1192 F N 1.444 121.678 119.950 0.474 0.000 2.653 1192 F HA 0.645 5.172 4.527 0.001 0.000 0.327 1192 F C -1.260 174.797 175.800 0.428 0.000 1.195 1192 F CA -1.040 57.224 58.000 0.440 0.000 0.993 1192 F CB 1.393 40.569 39.000 0.293 0.000 1.259 1192 F HN 0.322 nan 8.300 nan 0.000 0.478 1193 I N 5.119 125.872 120.570 0.304 0.000 2.447 1193 I HA 0.286 4.457 4.170 0.001 0.000 0.287 1193 I C -1.229 175.052 176.117 0.273 0.000 1.023 1193 I CA -0.669 60.884 61.300 0.420 0.000 1.083 1193 I CB 1.782 40.041 38.000 0.431 0.000 1.245 1193 I HN 0.389 nan 8.210 nan 0.000 0.434 1194 D N 6.977 127.632 120.400 0.425 0.000 2.233 1194 D HA 0.485 5.125 4.640 0.001 0.000 0.240 1194 D C -0.793 175.793 176.300 0.477 0.000 1.074 1194 D CA -0.163 54.080 54.000 0.405 0.000 0.838 1194 D CB 1.496 42.604 40.800 0.513 0.000 1.124 1194 D HN 0.312 nan 8.370 nan 0.000 0.475 1195 L N 4.429 125.859 121.223 0.345 0.000 2.272 1195 L HA 0.416 4.757 4.340 0.001 0.000 0.289 1195 L C 0.570 177.605 176.870 0.275 0.000 1.032 1195 L CA -0.558 54.486 54.840 0.340 0.000 0.810 1195 L CB 1.110 43.288 42.059 0.199 0.000 1.205 1195 L HN 0.372 nan 8.230 nan 0.000 0.422 1196 H N 1.210 120.460 119.070 0.301 0.000 3.043 1196 H HA 0.696 5.253 4.556 0.001 0.000 0.302 1196 H C -0.681 174.838 175.328 0.317 0.000 1.506 1196 H CA -0.581 55.650 56.048 0.304 0.000 1.282 1196 H CB 2.447 32.391 29.762 0.303 0.000 1.914 1196 H HN 0.608 nan 8.280 nan 0.000 0.625 1197 S N -0.237 115.758 115.700 0.492 0.000 2.588 1197 S HA 0.443 4.914 4.470 0.001 0.000 0.269 1197 S C -1.652 173.188 174.600 0.400 0.000 1.157 1197 S CA -0.881 57.572 58.200 0.420 0.000 0.824 1197 S CB 1.432 64.886 63.200 0.424 0.000 1.126 1197 S HN 0.606 nan 8.310 nan 0.000 0.464 1198 Y N -0.896 119.455 120.300 0.085 0.000 2.650 1198 Y HA 0.934 5.485 4.550 0.001 0.000 0.331 1198 Y C 0.825 176.725 175.900 -0.000 0.000 1.082 1198 Y CA -0.691 57.419 58.100 0.016 0.000 1.171 1198 Y CB 1.298 39.689 38.460 -0.115 0.000 1.326 1198 Y HN 0.817 nan 8.280 nan 0.000 0.513 1199 S N -1.587 114.175 115.700 0.104 0.000 4.596 1199 S HA -0.124 4.346 4.470 0.001 0.000 0.057 1199 S C -0.512 174.011 174.600 -0.128 0.000 0.865 1199 S CA 0.031 58.223 58.200 -0.013 0.000 0.941 1199 S CB -1.001 62.115 63.200 -0.140 0.000 0.424 1199 S HN 0.803 nan 8.310 nan 0.000 0.794 1200 Q N 0.525 120.180 119.800 -0.241 0.000 2.451 1200 Q HA -0.150 4.190 4.340 0.001 0.000 0.334 1200 Q C -0.977 174.525 176.000 -0.830 0.000 1.462 1200 Q CA 0.869 56.165 55.803 -0.845 0.000 0.876 1200 Q CB -1.288 26.997 28.738 -0.755 0.000 1.125 1200 Q HN 0.622 nan 8.270 nan 0.000 0.358 1201 L N 0.852 121.856 121.223 -0.365 0.000 2.354 1201 L HA 0.744 5.085 4.340 0.001 0.000 0.269 1201 L C -0.648 176.327 176.870 0.176 0.000 1.005 1201 L CA -1.269 53.537 54.840 -0.057 0.000 0.819 1201 L CB 1.483 43.519 42.059 -0.038 0.000 1.311 1201 L HN 0.138 nan 8.230 nan 0.000 0.423 1202 L N 3.354 124.657 121.223 0.134 0.000 2.415 1202 L HA 0.601 4.942 4.340 0.001 0.000 0.268 1202 L C -0.769 176.122 176.870 0.036 0.000 0.984 1202 L CA 0.013 54.826 54.840 -0.046 0.000 0.853 1202 L CB 1.271 43.227 42.059 -0.171 0.000 1.215 1202 L HN 0.571 nan 8.230 nan 0.000 0.419 1203 M N 4.266 123.900 119.600 0.057 0.000 2.761 1203 M HA 0.642 5.123 4.480 0.001 0.000 0.305 1203 M C -1.351 175.028 176.300 0.132 0.000 1.235 1203 M CA -0.724 54.583 55.300 0.012 0.000 0.850 1203 M CB 2.465 35.005 32.600 -0.099 0.000 1.744 1203 M HN 0.512 nan 8.290 nan 0.000 0.480 1204 Y N -2.352 117.887 120.300 -0.101 0.000 2.655 1204 Y HA 0.788 5.338 4.550 0.001 0.000 0.336 1204 Y C -3.147 172.518 175.900 -0.392 0.000 1.154 1204 Y CA -3.090 54.825 58.100 -0.308 0.000 1.055 1204 Y CB -0.257 37.954 38.460 -0.415 0.000 1.295 1204 Y HN 0.332 nan 8.280 nan 0.000 0.465 1205 P HA 0.078 nan 4.420 nan 0.000 0.267 1205 P C -1.412 175.507 177.300 -0.635 0.000 1.200 1205 P CA 0.556 63.211 63.100 -0.741 0.000 0.772 1205 P CB 0.236 31.087 31.700 -1.416 0.000 0.855 1206 Y N -0.084 119.988 120.300 -0.380 0.000 2.420 1206 Y HA 0.509 5.060 4.550 0.001 0.000 0.334 1206 Y C 1.661 177.334 175.900 -0.378 0.000 1.094 1206 Y CA 0.175 57.998 58.100 -0.462 0.000 1.126 1206 Y CB 1.419 39.591 38.460 -0.480 0.000 1.217 1206 Y HN 0.448 nan 8.280 nan 0.000 0.462 1207 G N 0.500 109.184 108.800 -0.192 0.000 2.724 1207 G HA2 -0.118 3.843 3.960 0.001 0.000 0.205 1207 G HA3 -0.118 3.843 3.960 0.001 0.000 0.205 1207 G C 1.139 175.991 174.900 -0.080 0.000 1.112 1207 G CA 0.187 45.192 45.100 -0.159 0.000 0.793 1207 G HN 0.830 nan 8.290 nan 0.000 0.526 1208 Y N -0.274 120.010 120.300 -0.026 0.000 2.439 1208 Y HA 0.472 5.023 4.550 0.001 0.000 0.292 1208 Y C 0.931 176.774 175.900 -0.095 0.000 1.130 1208 Y CA 0.295 58.352 58.100 -0.071 0.000 1.254 1208 Y CB 0.002 38.429 38.460 -0.055 0.000 1.000 1208 Y HN 0.136 nan 8.280 nan 0.000 0.554 1209 S N -0.198 115.675 115.700 0.289 0.000 2.556 1209 S HA 0.327 4.798 4.470 0.001 0.000 0.271 1209 S C 0.411 175.044 174.600 0.054 0.000 1.135 1209 S CA -0.361 57.926 58.200 0.146 0.000 0.858 1209 S CB 1.508 64.802 63.200 0.156 0.000 1.114 1209 S HN 0.337 nan 8.310 nan 0.000 0.468 1210 V N 1.364 121.294 119.914 0.026 0.000 3.305 1210 V HA 0.151 4.272 4.120 0.001 0.000 0.269 1210 V C 0.826 176.937 176.094 0.028 0.000 1.157 1210 V CA 0.998 63.306 62.300 0.014 0.000 1.157 1210 V CB -1.810 30.014 31.823 0.002 0.000 0.772 1210 V HN 0.779 nan 8.190 nan 0.000 0.498 1211 K N 1.767 122.188 120.400 0.034 0.000 2.489 1211 K HA 0.080 4.401 4.320 0.001 0.000 0.278 1211 K C 0.048 176.718 176.600 0.116 0.000 1.000 1211 K CA -0.152 56.164 56.287 0.048 0.000 1.012 1211 K CB 0.525 33.034 32.500 0.015 0.000 0.903 1211 K HN 0.359 nan 8.250 nan 0.000 0.485 1212 K N 2.273 122.737 120.400 0.107 0.000 2.276 1212 K HA 0.181 4.502 4.320 0.001 0.000 0.283 1212 K C -0.506 176.194 176.600 0.167 0.000 1.044 1212 K CA -0.429 55.925 56.287 0.112 0.000 0.944 1212 K CB 0.914 33.454 32.500 0.067 0.000 1.012 1212 K HN 0.799 nan 8.250 nan 0.000 0.472 1213 A N 6.131 129.009 122.820 0.097 0.000 2.488 1213 A HA 0.174 4.494 4.320 0.001 0.000 0.249 1213 A C -1.470 176.141 177.584 0.046 0.000 1.083 1213 A CA -1.215 50.812 52.037 -0.016 0.000 0.768 1213 A CB -0.004 18.567 19.000 -0.715 0.000 1.017 1213 A HN 0.682 nan 8.150 nan 0.000 0.496 1214 P HA -0.178 nan 4.420 nan 0.000 0.217 1214 P C 0.282 177.608 177.300 0.044 0.000 1.148 1214 P CA 1.447 64.600 63.100 0.088 0.000 0.834 1214 P CB 0.114 31.868 31.700 0.090 0.000 0.783 1215 D N -1.256 119.182 120.400 0.064 0.000 2.358 1215 D HA 0.202 4.843 4.640 0.001 0.000 0.224 1215 D C 1.683 177.913 176.300 -0.116 0.000 1.123 1215 D CA 0.129 54.120 54.000 -0.016 0.000 0.833 1215 D CB 0.017 40.825 40.800 0.015 0.000 0.946 1215 D HN 0.082 nan 8.370 nan 0.000 0.505 1216 A N 1.036 123.792 122.820 -0.107 0.000 1.948 1216 A HA -0.248 4.073 4.320 0.001 0.000 0.220 1216 A C 2.107 179.588 177.584 -0.173 0.000 1.177 1216 A CA 1.341 53.301 52.037 -0.128 0.000 0.636 1216 A CB -0.305 18.717 19.000 0.038 0.000 0.815 1216 A HN 0.219 nan 8.150 nan 0.000 0.449 1217 E N -0.652 119.498 120.200 -0.083 0.000 2.028 1217 E HA -0.240 4.111 4.350 0.001 0.000 0.191 1217 E C 2.108 178.662 176.600 -0.077 0.000 0.988 1217 E CA 1.358 57.724 56.400 -0.057 0.000 0.799 1217 E CB -0.146 29.544 29.700 -0.016 0.000 0.755 1217 E HN 0.790 nan 8.360 nan 0.000 0.447 1218 E N 0.359 120.523 120.200 -0.059 0.000 2.077 1218 E HA -0.189 4.162 4.350 0.001 0.000 0.193 1218 E C 2.263 178.817 176.600 -0.076 0.000 0.989 1218 E CA 0.952 57.342 56.400 -0.017 0.000 0.800 1218 E CB -0.065 29.683 29.700 0.080 0.000 0.746 1218 E HN 0.271 nan 8.360 nan 0.000 0.452 1219 L N 0.508 121.612 121.223 -0.197 0.000 2.141 1219 L HA -0.141 4.200 4.340 0.001 0.000 0.209 1219 L C 2.162 178.783 176.870 -0.416 0.000 1.094 1219 L CA 1.305 55.975 54.840 -0.284 0.000 0.763 1219 L CB -0.323 41.303 42.059 -0.721 0.000 0.908 1219 L HN 0.214 nan 8.230 nan 0.000 0.437 1220 D N 0.029 120.121 120.400 -0.514 0.000 2.234 1220 D HA -0.168 4.473 4.640 0.001 0.000 0.205 1220 D C 2.200 178.456 176.300 -0.072 0.000 0.962 1220 D CA 0.838 54.699 54.000 -0.231 0.000 0.855 1220 D CB 0.280 41.049 40.800 -0.052 0.000 0.951 1220 D HN 0.080 nan 8.370 nan 0.000 0.500 1221 K N -0.324 120.022 120.400 -0.090 0.000 2.007 1221 K HA -0.073 4.247 4.320 0.001 0.000 0.206 1221 K C 1.901 178.438 176.600 -0.106 0.000 1.047 1221 K CA 0.941 57.187 56.287 -0.068 0.000 0.937 1221 K CB -0.047 32.421 32.500 -0.053 0.000 0.718 1221 K HN -0.047 nan 8.250 nan 0.000 0.438 1222 V N 1.650 121.463 119.914 -0.167 0.000 2.252 1222 V HA -0.309 3.812 4.120 0.001 0.000 0.249 1222 V C 2.470 178.418 176.094 -0.243 0.000 1.056 1222 V CA 2.165 64.313 62.300 -0.254 0.000 1.022 1222 V CB -0.967 30.685 31.823 -0.285 0.000 0.641 1222 V HN 0.531 nan 8.190 nan 0.000 0.445 1223 A N -0.294 122.416 122.820 -0.184 0.000 1.892 1223 A HA -0.316 4.005 4.320 0.001 0.000 0.218 1223 A C 2.351 179.863 177.584 -0.120 0.000 1.188 1223 A CA 2.431 54.355 52.037 -0.188 0.000 0.631 1223 A CB -0.628 18.442 19.000 0.118 0.000 0.822 1223 A HN 0.484 nan 8.150 nan 0.000 0.447 1224 R N -1.216 119.252 120.500 -0.054 0.000 2.083 1224 R HA -0.096 4.245 4.340 0.001 0.000 0.237 1224 R C 2.010 178.277 176.300 -0.055 0.000 1.137 1224 R CA 1.680 57.761 56.100 -0.032 0.000 0.951 1224 R CB -0.450 29.843 30.300 -0.012 0.000 0.851 1224 R HN 0.484 nan 8.270 nan 0.000 0.434 1225 L N -0.499 120.676 121.223 -0.079 0.000 2.217 1225 L HA -0.042 4.299 4.340 0.001 0.000 0.211 1225 L C 2.206 179.018 176.870 -0.096 0.000 1.107 1225 L CA 1.373 56.167 54.840 -0.076 0.000 0.783 1225 L CB -0.246 41.770 42.059 -0.073 0.000 0.919 1225 L HN 0.246 nan 8.230 nan 0.000 0.442 1226 A N -0.754 121.985 122.820 -0.135 0.000 1.929 1226 A HA -0.079 4.242 4.320 0.001 0.000 0.216 1226 A C 2.471 179.981 177.584 -0.123 0.000 1.176 1226 A CA 1.393 53.347 52.037 -0.137 0.000 0.628 1226 A CB -0.756 18.133 19.000 -0.184 0.000 0.816 1226 A HN 0.382 nan 8.150 nan 0.000 0.444 1227 A N -0.073 122.671 122.820 -0.127 0.000 1.877 1227 A HA -0.172 4.149 4.320 0.001 0.000 0.216 1227 A C 2.122 179.671 177.584 -0.058 0.000 1.186 1227 A CA 1.866 53.839 52.037 -0.108 0.000 0.620 1227 A CB -0.480 18.508 19.000 -0.020 0.000 0.822 1227 A HN 0.501 nan 8.150 nan 0.000 0.443 1228 K N -0.540 119.835 120.400 -0.040 0.000 2.032 1228 K HA -0.155 4.166 4.320 0.001 0.000 0.209 1228 K C 2.316 178.895 176.600 -0.035 0.000 1.048 1228 K CA 1.302 57.574 56.287 -0.026 0.000 0.927 1228 K CB -0.325 32.160 32.500 -0.025 0.000 0.712 1228 K HN 0.463 nan 8.250 nan 0.000 0.441 1229 A N 1.323 124.109 122.820 -0.057 0.000 1.898 1229 A HA -0.149 4.172 4.320 0.001 0.000 0.216 1229 A C 2.113 179.661 177.584 -0.060 0.000 1.181 1229 A CA 1.118 53.118 52.037 -0.062 0.000 0.620 1229 A CB -0.593 18.355 19.000 -0.086 0.000 0.819 1229 A HN 0.324 nan 8.150 nan 0.000 0.442 1230 L N -0.392 120.783 121.223 -0.080 0.000 2.012 1230 L HA -0.188 4.153 4.340 0.001 0.000 0.210 1230 L C 2.749 179.599 176.870 -0.034 0.000 1.073 1230 L CA 1.811 56.599 54.840 -0.086 0.000 0.748 1230 L CB -0.346 41.599 42.059 -0.190 0.000 0.891 1230 L HN 0.371 nan 8.230 nan 0.000 0.431 1231 A N -0.713 122.099 122.820 -0.013 0.000 2.076 1231 A HA -0.226 4.095 4.320 0.001 0.000 0.220 1231 A C 2.422 180.019 177.584 0.021 0.000 1.160 1231 A CA 1.750 53.805 52.037 0.031 0.000 0.653 1231 A CB -0.890 18.135 19.000 0.042 0.000 0.801 1231 A HN 0.697 nan 8.150 nan 0.000 0.455 1232 S N -0.784 114.918 115.700 0.004 0.000 2.481 1232 S HA -0.049 4.421 4.470 0.001 0.000 0.231 1232 S C 1.630 176.236 174.600 0.011 0.000 0.996 1232 S CA 1.189 59.392 58.200 0.005 0.000 0.942 1232 S CB -0.505 62.692 63.200 -0.005 0.000 0.768 1232 S HN 0.230 nan 8.310 nan 0.000 0.520 1233 V N 0.860 120.781 119.914 0.012 0.000 2.302 1233 V HA 0.075 4.196 4.120 0.001 0.000 0.243 1233 V C 2.305 178.410 176.094 0.020 0.000 1.036 1233 V CA 1.810 64.120 62.300 0.016 0.000 1.020 1233 V CB -0.505 31.326 31.823 0.014 0.000 0.657 1233 V HN 0.574 nan 8.190 nan 0.000 0.453 1234 S N -1.755 113.961 115.700 0.026 0.000 2.733 1234 S HA 0.413 4.884 4.470 0.001 0.000 0.247 1234 S C 1.056 175.679 174.600 0.039 0.000 1.043 1234 S CA 0.567 58.785 58.200 0.030 0.000 1.066 1234 S CB 1.091 64.309 63.200 0.029 0.000 1.045 1234 S HN 0.888 nan 8.310 nan 0.000 0.586 1235 G N 2.239 111.064 108.800 0.043 0.000 2.149 1235 G HA2 -0.224 3.737 3.960 0.001 0.000 0.235 1235 G HA3 -0.224 3.737 3.960 0.001 0.000 0.235 1235 G C 0.002 174.945 174.900 0.071 0.000 1.018 1235 G CA 0.221 45.350 45.100 0.049 0.000 0.728 1235 G HN 0.434 nan 8.290 nan 0.000 0.508 1236 T N 0.562 115.175 114.554 0.099 0.000 2.851 1236 T HA 0.459 4.810 4.350 0.001 0.000 0.298 1236 T C 0.235 175.062 174.700 0.211 0.000 0.977 1236 T CA 0.243 62.436 62.100 0.154 0.000 1.126 1236 T CB 1.663 70.655 68.868 0.207 0.000 0.916 1236 T HN 0.378 nan 8.240 nan 0.000 0.529 1237 E N 1.628 121.940 120.200 0.187 0.000 2.156 1237 E HA 0.371 4.722 4.350 0.001 0.000 0.279 1237 E C -1.289 175.445 176.600 0.223 0.000 0.965 1237 E CA -0.543 55.965 56.400 0.181 0.000 0.789 1237 E CB 0.814 30.566 29.700 0.087 0.000 1.098 1237 E HN 0.501 nan 8.360 nan 0.000 0.397 1238 Y N 1.727 122.045 120.300 0.031 0.000 2.352 1238 Y HA 0.214 4.764 4.550 0.001 0.000 0.339 1238 Y C 0.250 176.153 175.900 0.004 0.000 0.992 1238 Y CA -0.664 57.452 58.100 0.027 0.000 1.100 1238 Y CB 1.568 40.045 38.460 0.029 0.000 1.192 1238 Y HN 0.414 nan 8.280 nan 0.000 0.458 1239 Q N 2.036 121.866 119.800 0.051 0.000 2.327 1239 Q HA 0.529 4.870 4.340 0.001 0.000 0.254 1239 Q C -1.270 174.767 176.000 0.061 0.000 0.952 1239 Q CA -0.296 55.520 55.803 0.022 0.000 0.884 1239 Q CB 1.122 29.836 28.738 -0.040 0.000 1.224 1239 Q HN 0.473 nan 8.270 nan 0.000 0.422 1240 V N 1.580 121.524 119.914 0.049 0.000 2.623 1240 V HA 0.860 4.981 4.120 0.001 0.000 0.304 1240 V C 0.116 176.247 176.094 0.061 0.000 1.054 1240 V CA -0.455 61.890 62.300 0.074 0.000 0.882 1240 V CB 1.615 33.496 31.823 0.097 0.000 1.002 1240 V HN 0.968 nan 8.190 nan 0.000 0.424 1241 G N 4.932 113.742 108.800 0.016 0.000 2.342 1241 G HA2 0.588 4.548 3.960 0.001 0.000 0.297 1241 G HA3 0.588 4.548 3.960 0.001 0.000 0.297 1241 G C -3.548 170.950 174.900 -0.670 0.000 1.313 1241 G CA -0.725 44.293 45.100 -0.136 0.000 0.830 1241 G HN 0.484 nan 8.290 nan 0.000 0.506 1242 P HA 0.246 nan 4.420 nan 0.000 0.277 1242 P C 0.917 177.948 177.300 -0.448 0.000 1.240 1242 P CA 0.060 62.586 63.100 -0.957 0.000 0.798 1242 P CB 1.177 32.512 31.700 -0.608 0.000 0.979 1243 T N 1.376 115.705 114.554 -0.376 0.000 2.665 1243 T HA -0.210 4.141 4.350 0.001 0.000 0.268 1243 T C 1.693 176.305 174.700 -0.146 0.000 1.035 1243 T CA 2.345 64.313 62.100 -0.220 0.000 1.151 1243 T CB -1.172 67.571 68.868 -0.208 0.000 0.862 1243 T HN 0.657 nan 8.240 nan 0.000 0.438 1244 C N 2.341 121.558 119.300 -0.139 0.000 2.413 1244 C HA -0.115 4.346 4.460 0.001 0.000 0.276 1244 C C 3.070 178.045 174.990 -0.024 0.000 1.236 1244 C CA 1.252 60.225 59.018 -0.076 0.000 1.735 1244 C CB -1.877 25.830 27.740 -0.055 0.000 2.031 1244 C HN 0.697 nan 8.230 nan 0.000 0.474 1245 T N -0.795 113.746 114.554 -0.021 0.000 2.809 1245 T HA -0.055 4.295 4.350 0.001 0.000 0.260 1245 T C 1.588 176.370 174.700 0.137 0.000 1.039 1245 T CA 2.150 64.294 62.100 0.072 0.000 1.141 1245 T CB -1.139 67.774 68.868 0.076 0.000 0.869 1245 T HN 0.617 nan 8.240 nan 0.000 0.437 1246 T N 1.748 116.318 114.554 0.027 0.000 2.590 1246 T HA 0.064 4.414 4.350 0.001 0.000 0.257 1246 T C 1.923 176.656 174.700 0.054 0.000 1.080 1246 T CA 1.009 63.119 62.100 0.017 0.000 1.180 1246 T CB -0.717 68.112 68.868 -0.064 0.000 0.865 1246 T HN 0.163 nan 8.240 nan 0.000 0.403 1247 V N 0.377 120.307 119.914 0.028 0.000 2.344 1247 V HA 0.238 4.359 4.120 0.001 0.000 0.198 1247 V C 0.072 176.290 176.094 0.206 0.000 1.042 1247 V CA 1.024 63.377 62.300 0.089 0.000 1.150 1247 V CB -0.125 31.733 31.823 0.058 0.000 0.716 1247 V HN 0.751 nan 8.190 nan 0.000 0.472 1248 Y N -2.075 118.202 120.300 -0.039 0.000 2.521 1248 Y HA 0.566 5.116 4.550 0.001 0.000 0.328 1248 Y C -3.118 172.766 175.900 -0.027 0.000 1.151 1248 Y CA -2.600 55.480 58.100 -0.034 0.000 1.054 1248 Y CB 0.734 39.167 38.460 -0.045 0.000 1.338 1248 Y HN 0.205 nan 8.280 nan 0.000 0.453 1249 P HA 0.194 nan 4.420 nan 0.000 0.255 1249 P C -0.870 176.178 177.300 -0.419 0.000 1.173 1249 P CA 1.072 64.045 63.100 -0.210 0.000 0.780 1249 P CB 0.089 31.750 31.700 -0.064 0.000 0.758 1250 A N 2.929 125.527 122.820 -0.371 0.000 2.385 1250 A HA 0.562 4.883 4.320 0.001 0.000 0.290 1250 A C 0.215 177.753 177.584 -0.077 0.000 1.094 1250 A CA -0.470 51.371 52.037 -0.325 0.000 0.729 1250 A CB 0.993 19.708 19.000 -0.476 0.000 1.194 1250 A HN 0.436 nan 8.150 nan 0.000 0.442 1251 S N 1.473 117.176 115.700 0.005 0.000 2.632 1251 S HA 0.609 5.080 4.470 0.001 0.000 0.267 1251 S C 1.031 175.720 174.600 0.148 0.000 1.276 1251 S CA 0.338 58.610 58.200 0.120 0.000 0.998 1251 S CB 1.130 64.354 63.200 0.040 0.000 0.953 1251 S HN 2.580 nan 8.310 nan 0.000 0.547 1252 G N 0.668 109.623 108.800 0.258 0.000 2.198 1252 G HA2 -0.232 3.729 3.960 0.001 0.000 0.260 1252 G HA3 -0.232 3.729 3.960 0.001 0.000 0.260 1252 G C 0.126 175.245 174.900 0.365 0.000 1.025 1252 G CA 0.241 45.554 45.100 0.355 0.000 0.769 1252 G HN 1.697 nan 8.290 nan 0.000 0.507 1253 S N -0.805 115.012 115.700 0.195 0.000 2.646 1253 S HA 0.726 5.197 4.470 0.001 0.000 0.276 1253 S C 1.745 176.153 174.600 -0.320 0.000 1.222 1253 S CA 0.651 58.852 58.200 0.001 0.000 1.014 1253 S CB 1.833 65.012 63.200 -0.036 0.000 0.991 1253 S HN 1.453 nan 8.310 nan 0.000 0.533 1254 S N 2.164 117.369 115.700 -0.826 0.000 2.356 1254 S HA -0.209 4.262 4.470 0.001 0.000 0.223 1254 S C 1.946 175.987 174.600 -0.931 0.000 1.032 1254 S CA 1.279 58.515 58.200 -1.607 0.000 1.005 1254 S CB -1.293 61.138 63.200 -1.281 0.000 0.867 1254 S HN 0.978 nan 8.310 nan 0.000 0.449 1255 I N 0.058 120.333 120.570 -0.491 0.000 2.439 1255 I HA -0.021 4.149 4.170 0.001 0.000 0.251 1255 I C 1.632 177.591 176.117 -0.263 0.000 1.139 1255 I CA 1.679 62.770 61.300 -0.348 0.000 1.438 1255 I CB -0.504 37.435 38.000 -0.102 0.000 1.085 1255 I HN -0.018 nan 8.210 nan 0.000 0.427 1256 D N 0.782 121.069 120.400 -0.189 0.000 2.117 1256 D HA -0.195 4.446 4.640 0.001 0.000 0.198 1256 D C 1.633 177.978 176.300 0.076 0.000 0.982 1256 D CA 1.427 55.383 54.000 -0.073 0.000 0.828 1256 D CB -0.400 40.361 40.800 -0.065 0.000 0.967 1256 D HN 0.662 nan 8.370 nan 0.000 0.464 1257 W N 1.891 123.133 121.300 -0.096 0.000 2.338 1257 W HA -0.184 4.478 4.660 0.002 0.000 0.304 1257 W C 2.237 178.682 176.519 -0.123 0.000 1.212 1257 W CA 2.442 59.775 57.345 -0.021 0.000 1.264 1257 W CB -0.279 29.232 29.460 0.085 0.000 1.142 1257 W HN -0.041 nan 8.180 nan 0.000 0.512 1258 A N -0.565 122.072 122.820 -0.306 0.000 1.855 1258 A HA -0.241 4.079 4.320 0.001 0.000 0.215 1258 A C 1.906 179.265 177.584 -0.375 0.000 1.191 1258 A CA 1.674 53.396 52.037 -0.525 0.000 0.613 1258 A CB -1.732 16.891 19.000 -0.627 0.000 0.829 1258 A HN 0.553 nan 8.150 nan 0.000 0.442 1259 Y N 1.032 121.123 120.300 -0.349 0.000 2.165 1259 Y HA -0.246 4.305 4.550 0.001 0.000 0.286 1259 Y C 1.800 177.556 175.900 -0.239 0.000 1.155 1259 Y CA 2.194 60.116 58.100 -0.296 0.000 1.164 1259 Y CB -0.184 38.050 38.460 -0.376 0.000 0.978 1259 Y HN 0.351 nan 8.280 nan 0.000 0.513 1260 D N -0.324 120.035 120.400 -0.067 0.000 2.219 1260 D HA -0.146 4.495 4.640 0.001 0.000 0.205 1260 D C 0.801 176.929 176.300 -0.286 0.000 0.970 1260 D CA 1.129 55.078 54.000 -0.085 0.000 0.851 1260 D CB -0.320 40.516 40.800 0.059 0.000 0.943 1260 D HN 0.458 nan 8.370 nan 0.000 0.488 1261 N N -0.256 118.138 118.700 -0.510 0.000 2.327 1261 N HA 0.151 4.892 4.740 0.001 0.000 0.231 1261 N C 0.724 176.029 175.510 -0.342 0.000 1.130 1261 N CA 0.332 53.060 53.050 -0.537 0.000 0.845 1261 N CB 1.137 39.001 38.487 -1.038 0.000 1.073 1261 N HN 0.120 nan 8.380 nan 0.000 0.496 1262 G N 1.230 109.852 108.800 -0.297 0.000 2.143 1262 G HA2 -0.257 3.704 3.960 0.001 0.000 0.249 1262 G HA3 -0.257 3.704 3.960 0.001 0.000 0.249 1262 G C 0.050 174.902 174.900 -0.080 0.000 0.981 1262 G CA -0.282 44.698 45.100 -0.199 0.000 0.665 1262 G HN 0.376 nan 8.290 nan 0.000 0.528 1263 I N 0.698 121.196 120.570 -0.120 0.000 2.310 1263 I HA 0.265 4.436 4.170 0.001 0.000 0.287 1263 I C 1.485 177.587 176.117 -0.026 0.000 1.073 1263 I CA -0.539 60.803 61.300 0.070 0.000 1.216 1263 I CB 1.222 39.307 38.000 0.141 0.000 1.415 1263 I HN 0.077 nan 8.210 nan 0.000 0.480 1264 K N 4.546 124.898 120.400 -0.079 0.000 2.032 1264 K HA -0.093 4.228 4.320 0.001 0.000 0.209 1264 K C 0.385 176.804 176.600 -0.303 0.000 1.048 1264 K CA 1.663 57.705 56.287 -0.408 0.000 0.927 1264 K CB 0.085 32.117 32.500 -0.781 0.000 0.712 1264 K HN 0.378 nan 8.250 nan 0.000 0.441 1265 F N 1.157 121.240 119.950 0.221 0.000 2.606 1265 F HA 0.278 4.805 4.527 0.001 0.000 0.347 1265 F C 0.029 175.926 175.800 0.162 0.000 1.207 1265 F CA -0.745 57.385 58.000 0.217 0.000 1.306 1265 F CB 0.202 39.471 39.000 0.449 0.000 1.657 1265 F HN -0.053 nan 8.300 nan 0.000 0.606 1266 A N 2.182 124.969 122.820 -0.055 0.000 2.274 1266 A HA 0.754 5.075 4.320 0.001 0.000 0.309 1266 A C -0.938 176.440 177.584 -0.345 0.000 1.226 1266 A CA -0.191 51.849 52.037 0.004 0.000 0.853 1266 A CB 0.160 19.131 19.000 -0.049 0.000 1.146 1266 A HN 0.438 nan 8.150 nan 0.000 0.518 1267 F N 0.406 120.542 119.950 0.310 0.000 2.591 1267 F HA 0.486 5.014 4.527 0.001 0.000 0.309 1267 F C 0.410 176.365 175.800 0.259 0.000 1.098 1267 F CA -0.334 57.804 58.000 0.231 0.000 0.937 1267 F CB 2.888 42.014 39.000 0.210 0.000 1.250 1267 F HN 0.424 nan 8.300 nan 0.000 0.447 1268 T N 2.659 117.421 114.554 0.348 0.000 2.823 1268 T HA 0.512 4.863 4.350 0.001 0.000 0.279 1268 T C -1.239 173.602 174.700 0.235 0.000 0.998 1268 T CA -0.394 61.886 62.100 0.300 0.000 0.994 1268 T CB 0.627 69.575 68.868 0.133 0.000 0.960 1268 T HN 0.242 nan 8.240 nan 0.000 0.448 1269 F N 2.554 122.688 119.950 0.307 0.000 2.402 1269 F HA 0.326 4.853 4.527 0.001 0.000 0.355 1269 F C 0.689 176.684 175.800 0.326 0.000 1.123 1269 F CA -0.858 57.333 58.000 0.318 0.000 1.021 1269 F CB 1.321 40.489 39.000 0.280 0.000 1.160 1269 F HN 0.334 nan 8.300 nan 0.000 0.451 1270 E N 5.776 126.222 120.200 0.409 0.000 2.089 1270 E HA 0.282 4.632 4.350 0.001 0.000 0.284 1270 E C -0.044 176.749 176.600 0.323 0.000 1.023 1270 E CA -0.127 56.459 56.400 0.309 0.000 0.819 1270 E CB 1.253 31.026 29.700 0.123 0.000 1.076 1270 E HN 0.600 nan 8.360 nan 0.000 0.396 1271 L N 1.808 123.254 121.223 0.372 0.000 2.682 1271 L HA 0.328 4.669 4.340 0.001 0.000 0.209 1271 L C 1.340 178.355 176.870 0.242 0.000 1.195 1271 L CA -0.728 54.332 54.840 0.367 0.000 0.869 1271 L CB 0.240 42.500 42.059 0.335 0.000 1.599 1271 L HN 0.257 nan 8.230 nan 0.000 0.518 1272 R N 0.604 121.241 120.500 0.228 0.000 2.698 1272 R HA -0.014 4.327 4.340 0.001 0.000 0.266 1272 R C -0.809 175.600 176.300 0.181 0.000 1.026 1272 R CA 0.004 56.205 56.100 0.169 0.000 1.102 1272 R CB 0.167 30.556 30.300 0.148 0.000 0.978 1272 R HN 0.627 nan 8.270 nan 0.000 0.436 1273 D N -0.536 119.937 120.400 0.123 0.000 2.535 1273 D HA 0.056 4.697 4.640 0.001 0.000 0.240 1273 D C 0.858 177.247 176.300 0.150 0.000 1.200 1273 D CA -0.271 53.789 54.000 0.101 0.000 1.088 1273 D CB -0.298 40.552 40.800 0.084 0.000 1.197 1273 D HN 0.450 nan 8.370 nan 0.000 0.620 1274 T N -5.615 108.999 114.554 0.101 0.000 3.023 1274 T HA 0.501 4.852 4.350 0.001 0.000 0.253 1274 T C 1.257 176.065 174.700 0.180 0.000 1.038 1274 T CA 0.434 62.620 62.100 0.145 0.000 0.962 1274 T CB 0.178 69.079 68.868 0.055 0.000 1.018 1274 T HN 0.887 nan 8.240 nan 0.000 0.521 1275 G N 0.135 108.937 108.800 0.002 0.000 3.272 1275 G HA2 -0.121 3.840 3.960 0.001 0.000 0.219 1275 G HA3 -0.121 3.840 3.960 0.001 0.000 0.219 1275 G C 0.883 175.678 174.900 -0.175 0.000 0.952 1275 G CA 0.267 45.307 45.100 -0.099 0.000 0.833 1275 G HN 0.337 nan 8.290 nan 0.000 0.608 1276 T N 0.106 114.566 114.554 -0.157 0.000 2.746 1276 T HA -0.050 4.301 4.350 0.001 0.000 0.267 1276 T C 1.691 176.118 174.700 -0.455 0.000 1.039 1276 T CA 2.042 63.972 62.100 -0.283 0.000 1.142 1276 T CB -0.161 68.557 68.868 -0.250 0.000 0.866 1276 T HN 0.467 nan 8.240 nan 0.000 0.444 1277 Y N -0.485 119.731 120.300 -0.139 0.000 2.452 1277 Y HA 0.406 4.957 4.550 0.001 0.000 0.262 1277 Y C 1.848 177.647 175.900 -0.168 0.000 1.089 1277 Y CA -0.118 57.922 58.100 -0.100 0.000 1.262 1277 Y CB 0.141 38.563 38.460 -0.063 0.000 1.236 1277 Y HN 0.355 nan 8.280 nan 0.000 0.512 1278 G N 1.296 109.856 108.800 -0.400 0.000 2.591 1278 G HA2 -0.402 3.559 3.960 0.001 0.000 0.298 1278 G HA3 -0.402 3.559 3.960 0.001 0.000 0.298 1278 G C 0.735 175.205 174.900 -0.718 0.000 1.195 1278 G CA 0.777 45.133 45.100 -1.241 0.000 0.989 1278 G HN 0.167 nan 8.290 nan 0.000 0.551 1279 F N 0.351 120.012 119.950 -0.482 0.000 2.269 1279 F HA 0.188 4.716 4.527 0.002 0.000 0.301 1279 F C 2.202 177.807 175.800 -0.324 0.000 1.082 1279 F CA 0.872 58.644 58.000 -0.380 0.000 1.360 1279 F CB -0.202 38.387 39.000 -0.684 0.000 1.041 1279 F HN 0.089 nan 8.300 nan 0.000 0.512 1280 L N 2.096 123.259 121.223 -0.099 0.000 2.727 1280 L HA 0.136 4.477 4.340 0.001 0.000 0.237 1280 L C -0.161 176.695 176.870 -0.024 0.000 1.370 1280 L CA -0.245 54.531 54.840 -0.106 0.000 1.248 1280 L CB -0.954 41.093 42.059 -0.021 0.000 1.556 1280 L HN 0.057 nan 8.230 nan 0.000 0.420 1281 L N 3.516 124.735 121.223 -0.006 0.000 2.477 1281 L HA 0.271 4.612 4.340 0.001 0.000 0.272 1281 L C -1.894 174.982 176.870 0.008 0.000 1.157 1281 L CA -0.960 53.883 54.840 0.006 0.000 0.889 1281 L CB 0.345 42.477 42.059 0.122 0.000 1.158 1281 L HN 0.091 nan 8.230 nan 0.000 0.473 1282 P HA -0.023 nan 4.420 nan 0.000 0.264 1282 P C 0.246 177.550 177.300 0.007 0.000 1.183 1282 P CA 0.472 63.463 63.100 -0.182 0.000 0.763 1282 P CB 0.644 32.099 31.700 -0.408 0.000 0.807 1283 A N 4.656 127.522 122.820 0.078 0.000 1.940 1283 A HA -0.298 4.023 4.320 0.001 0.000 0.221 1283 A C 1.728 179.245 177.584 -0.112 0.000 1.190 1283 A CA 2.486 54.472 52.037 -0.084 0.000 0.647 1283 A CB -1.487 17.462 19.000 -0.086 0.000 0.821 1283 A HN 0.728 nan 8.150 nan 0.000 0.457 1284 N N -0.308 118.345 118.700 -0.078 0.000 2.573 1284 N HA -0.123 4.617 4.740 0.001 0.000 0.187 1284 N C 1.253 176.727 175.510 -0.059 0.000 1.107 1284 N CA 1.419 54.430 53.050 -0.065 0.000 0.918 1284 N CB -0.587 37.870 38.487 -0.050 0.000 0.966 1284 N HN 0.714 nan 8.380 nan 0.000 0.448 1285 Q N -0.371 119.392 119.800 -0.061 0.000 2.392 1285 Q HA 0.264 4.605 4.340 0.001 0.000 0.203 1285 Q C 1.460 177.428 176.000 -0.053 0.000 0.917 1285 Q CA -0.022 55.755 55.803 -0.043 0.000 0.939 1285 Q CB 0.118 28.843 28.738 -0.022 0.000 1.063 1285 Q HN 0.469 nan 8.270 nan 0.000 0.516 1286 I N 0.433 120.955 120.570 -0.081 0.000 2.179 1286 I HA -0.319 3.852 4.170 0.001 0.000 0.242 1286 I C 2.057 178.064 176.117 -0.184 0.000 1.088 1286 I CA 1.416 62.657 61.300 -0.098 0.000 1.357 1286 I CB -0.186 37.725 38.000 -0.148 0.000 1.051 1286 I HN 0.205 nan 8.210 nan 0.000 0.409 1287 I N 0.400 120.856 120.570 -0.191 0.000 2.252 1287 I HA -0.174 3.997 4.170 0.001 0.000 0.245 1287 I C -0.455 175.451 176.117 -0.352 0.000 1.102 1287 I CA 1.480 62.578 61.300 -0.335 0.000 1.385 1287 I CB -1.447 36.482 38.000 -0.117 0.000 1.064 1287 I HN 0.176 nan 8.210 nan 0.000 0.414 1288 P HA -0.095 nan 4.420 nan 0.000 0.216 1288 P C 1.645 178.862 177.300 -0.139 0.000 1.153 1288 P CA 1.442 64.462 63.100 -0.134 0.000 0.844 1288 P CB -0.107 31.560 31.700 -0.056 0.000 0.787 1289 T N -0.279 114.208 114.554 -0.112 0.000 2.684 1289 T HA -0.181 4.169 4.350 0.001 0.000 0.267 1289 T C 1.899 176.493 174.700 -0.178 0.000 1.036 1289 T CA 1.828 63.889 62.100 -0.064 0.000 1.148 1289 T CB -1.021 67.853 68.868 0.010 0.000 0.863 1289 T HN 0.043 nan 8.240 nan 0.000 0.436 1290 A N 1.703 124.296 122.820 -0.379 0.000 1.865 1290 A HA -0.175 4.146 4.320 0.001 0.000 0.217 1290 A C 2.256 179.380 177.584 -0.767 0.000 1.191 1290 A CA 1.699 53.323 52.037 -0.688 0.000 0.623 1290 A CB -0.551 17.648 19.000 -1.335 0.000 0.826 1290 A HN 0.562 nan 8.150 nan 0.000 0.444 1291 E N -0.283 119.468 120.200 -0.748 0.000 2.072 1291 E HA -0.222 4.128 4.350 0.001 0.000 0.191 1291 E C 2.140 178.702 176.600 -0.064 0.000 0.985 1291 E CA 1.324 57.508 56.400 -0.361 0.000 0.801 1291 E CB -0.293 29.291 29.700 -0.193 0.000 0.750 1291 E HN 0.953 nan 8.360 nan 0.000 0.452 1292 E N 0.929 121.075 120.200 -0.090 0.000 2.047 1292 E HA -0.156 4.194 4.350 0.001 0.000 0.191 1292 E C 1.929 178.496 176.600 -0.056 0.000 0.987 1292 E CA 1.567 57.945 56.400 -0.038 0.000 0.799 1292 E CB -0.434 29.258 29.700 -0.014 0.000 0.752 1292 E HN -0.033 nan 8.360 nan 0.000 0.449 1293 T N 0.976 115.476 114.554 -0.089 0.000 2.720 1293 T HA -0.225 4.126 4.350 0.001 0.000 0.268 1293 T C 1.211 175.855 174.700 -0.095 0.000 1.037 1293 T CA 1.466 63.465 62.100 -0.169 0.000 1.144 1293 T CB -0.661 68.091 68.868 -0.192 0.000 0.864 1293 T HN 0.436 nan 8.240 nan 0.000 0.444 1294 W N 1.751 122.954 121.300 -0.161 0.000 2.321 1294 W HA -0.157 4.504 4.660 0.001 0.000 0.306 1294 W C 1.652 178.140 176.519 -0.052 0.000 1.217 1294 W CA 0.885 58.206 57.345 -0.040 0.000 1.257 1294 W CB -0.336 29.214 29.460 0.149 0.000 1.145 1294 W HN 0.237 nan 8.180 nan 0.000 0.509 1295 L N 0.443 121.573 121.223 -0.156 0.000 2.046 1295 L HA -0.154 4.187 4.340 0.001 0.000 0.208 1295 L C 2.776 179.503 176.870 -0.240 0.000 1.077 1295 L CA 1.675 56.368 54.840 -0.246 0.000 0.747 1295 L CB -1.732 40.263 42.059 -0.106 0.000 0.896 1295 L HN 0.088 nan 8.230 nan 0.000 0.432 1296 G N 0.283 108.984 108.800 -0.165 0.000 2.421 1296 G HA2 -0.207 3.754 3.960 0.001 0.000 0.216 1296 G HA3 -0.207 3.754 3.960 0.001 0.000 0.216 1296 G C 1.661 176.504 174.900 -0.095 0.000 1.171 1296 G CA 0.479 45.539 45.100 -0.067 0.000 0.775 1296 G HN 0.200 nan 8.290 nan 0.000 0.543 1297 L N -0.142 120.940 121.223 -0.236 0.000 1.989 1297 L HA -0.084 4.256 4.340 0.001 0.000 0.211 1297 L C 2.901 179.573 176.870 -0.331 0.000 1.071 1297 L CA 1.605 56.302 54.840 -0.237 0.000 0.749 1297 L CB -0.408 41.528 42.059 -0.206 0.000 0.890 1297 L HN 0.165 nan 8.230 nan 0.000 0.431 1298 K N -0.633 119.406 120.400 -0.602 0.000 2.152 1298 K HA -0.156 4.164 4.320 0.001 0.000 0.206 1298 K C 2.030 178.440 176.600 -0.317 0.000 1.048 1298 K CA 1.812 57.749 56.287 -0.584 0.000 0.933 1298 K CB -0.068 31.964 32.500 -0.780 0.000 0.721 1298 K HN 0.304 nan 8.250 nan 0.000 0.447 1299 T N 1.037 115.435 114.554 -0.260 0.000 2.737 1299 T HA -0.060 4.291 4.350 0.001 0.000 0.265 1299 T C 1.775 176.382 174.700 -0.155 0.000 1.038 1299 T CA 1.108 63.101 62.100 -0.179 0.000 1.144 1299 T CB -0.113 68.660 68.868 -0.159 0.000 0.866 1299 T HN 0.140 nan 8.240 nan 0.000 0.434 1300 I N 0.772 121.238 120.570 -0.174 0.000 2.226 1300 I HA -0.165 4.005 4.170 0.001 0.000 0.245 1300 I C 2.537 178.592 176.117 -0.104 0.000 1.100 1300 I CA 1.365 62.559 61.300 -0.177 0.000 1.374 1300 I CB -0.359 37.525 38.000 -0.193 0.000 1.057 1300 I HN 0.241 nan 8.210 nan 0.000 0.413 1301 M N -0.218 119.325 119.600 -0.095 0.000 2.319 1301 M HA -0.158 4.323 4.480 0.001 0.000 0.265 1301 M C 2.087 178.334 176.300 -0.089 0.000 1.068 1301 M CA 1.529 56.789 55.300 -0.066 0.000 1.118 1301 M CB -0.281 32.275 32.600 -0.072 0.000 1.395 1301 M HN 0.212 nan 8.290 nan 0.000 0.435 1302 E N -0.783 119.352 120.200 -0.109 0.000 2.072 1302 E HA -0.224 4.127 4.350 0.001 0.000 0.190 1302 E C 1.795 178.336 176.600 -0.098 0.000 0.982 1302 E CA 1.139 57.481 56.400 -0.098 0.000 0.803 1302 E CB -0.228 29.412 29.700 -0.100 0.000 0.755 1302 E HN 0.539 nan 8.360 nan 0.000 0.453 1303 H N 0.547 119.501 119.070 -0.194 0.000 2.353 1303 H HA -0.128 4.429 4.556 0.001 0.000 0.298 1303 H C 1.970 177.095 175.328 -0.338 0.000 1.103 1303 H CA 1.781 57.683 56.048 -0.243 0.000 1.293 1303 H CB 0.025 29.616 29.762 -0.285 0.000 1.372 1303 H HN -0.067 nan 8.280 nan 0.000 0.501 1304 V N 0.698 120.430 119.914 -0.303 0.000 2.343 1304 V HA -0.242 3.879 4.120 0.001 0.000 0.247 1304 V C 2.605 178.623 176.094 -0.127 0.000 1.051 1304 V CA 2.099 64.221 62.300 -0.296 0.000 1.036 1304 V CB -0.603 31.143 31.823 -0.128 0.000 0.654 1304 V HN 0.438 nan 8.190 nan 0.000 0.451 1305 R N 0.272 120.711 120.500 -0.103 0.000 2.081 1305 R HA -0.192 4.149 4.340 0.001 0.000 0.235 1305 R C 1.749 178.001 176.300 -0.080 0.000 1.131 1305 R CA 2.085 58.145 56.100 -0.067 0.000 0.960 1305 R CB -0.272 29.994 30.300 -0.057 0.000 0.856 1305 R HN 0.499 nan 8.270 nan 0.000 0.436 1306 D N -0.324 119.996 120.400 -0.133 0.000 2.348 1306 D HA 0.003 4.644 4.640 0.001 0.000 0.211 1306 D C 0.147 176.364 176.300 -0.139 0.000 0.998 1306 D CA 0.593 54.511 54.000 -0.136 0.000 0.873 1306 D CB 0.130 40.829 40.800 -0.169 0.000 0.925 1306 D HN 0.237 nan 8.370 nan 0.000 0.524 1307 N N 0.729 119.339 118.700 -0.150 0.000 2.598 1307 N HA 0.157 4.897 4.740 0.001 0.000 0.309 1307 N C -0.264 175.365 175.510 0.198 0.000 1.645 1307 N CA -0.073 52.969 53.050 -0.012 0.000 0.936 1307 N CB 1.492 39.926 38.487 -0.088 0.000 1.323 1307 N HN 0.076 nan 8.380 nan 0.000 0.497 1308 L N 1.122 122.404 121.223 0.099 0.000 2.452 1308 L HA 0.240 4.581 4.340 0.001 0.000 0.267 1308 L C 0.094 177.051 176.870 0.144 0.000 1.188 1308 L CA -0.303 54.571 54.840 0.057 0.000 0.821 1308 L CB 0.146 42.192 42.059 -0.021 0.000 1.102 1308 L HN 0.230 nan 8.230 nan 0.000 0.470 1309 Y N 0.000 120.359 120.300 0.098 0.000 2.660 1309 Y HA 0.000 4.551 4.550 0.001 0.000 0.201 1309 Y CA 0.000 58.137 58.100 0.061 0.000 1.940 1309 Y CB 0.000 38.489 38.460 0.049 0.000 1.050 1309 Y HN 0.000 nan 8.280 nan 0.000 0.758