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 2abj_1_D DATA FIRST_RESID 19 DATA SEQUENCE VVGTFKAKDL IVTPATILKE KPDPNNLVFG TVFTDHMLTV EWSSEFGWEK DATA SEQUENCE PHIKPLQNLS LHPGSSALHY AVELFEGLKA FRGVDNKIRL FQPNLNMDRM DATA SEQUENCE YRSAVRATLP VFDKEELLEC IQQLVKLDQE WVPYSTSASL YIRPAFIGTE DATA SEQUENCE PSLGVKKPTK ALLFVLLSPV GPXXXXXXFN PVSLWANPKY VRAWKGGTGD DATA SEQUENCE CKMGGNYGSS LFAQCEDVDN GCQQVLWLYG RDHQITEVGT MNLFLYWINE DATA SEQUENCE DGEEELATPP LDGIILPGVT RRCILDLAHQ WGEFKVSERY LTMDDLTTAL DATA SEQUENCE EGNRVREMFS SGTACVVCPV SDILYKGETI HIPTMENGPK LASRILSKLT DATA SEQUENCE DIQYGREESD WTIVL 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 19 V HA 0.000 nan 4.120 nan 0.000 0.244 19 V C 0.000 176.197 176.094 0.171 0.000 1.182 19 V CA 0.000 62.364 62.300 0.108 0.000 1.235 19 V CB 0.000 31.882 31.823 0.099 0.000 1.184 20 V N 3.293 123.335 119.914 0.214 0.000 2.390 20 V HA 0.381 4.501 4.120 -0.000 0.000 0.260 20 V C 1.975 178.316 176.094 0.412 0.000 1.043 20 V CA 1.233 63.700 62.300 0.279 0.000 1.047 20 V CB -0.069 31.935 31.823 0.301 0.000 1.066 20 V HN 0.565 nan 8.190 nan 0.000 0.481 21 G N 3.916 112.912 108.800 0.328 0.000 2.442 21 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.219 21 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.219 21 G C 0.733 175.905 174.900 0.452 0.000 1.141 21 G CA 1.211 46.525 45.100 0.356 0.000 0.763 21 G HN 0.649 nan 8.290 nan 0.000 0.554 22 T N -0.751 113.980 114.554 0.294 0.000 2.894 22 T HA 0.500 4.850 4.350 -0.000 0.000 0.309 22 T C -0.704 173.982 174.700 -0.024 0.000 1.208 22 T CA -1.013 61.066 62.100 -0.035 0.000 1.016 22 T CB 0.931 69.647 68.868 -0.253 0.000 1.192 22 T HN 0.238 nan 8.240 nan 0.000 0.491 23 F N 1.724 121.554 119.950 -0.199 0.000 2.444 23 F HA 0.746 5.273 4.527 -0.000 0.000 0.331 23 F C 0.196 175.946 175.800 -0.083 0.000 1.167 23 F CA -0.613 57.341 58.000 -0.078 0.000 1.262 23 F CB 0.316 39.214 39.000 -0.170 0.000 1.196 23 F HN 0.316 nan 8.300 nan 0.000 0.583 24 K N 0.985 121.465 120.400 0.132 0.000 2.427 24 K HA 0.595 4.915 4.320 -0.000 0.000 0.252 24 K C 0.294 176.946 176.600 0.088 0.000 0.931 24 K CA -0.648 55.662 56.287 0.039 0.000 0.793 24 K CB 2.096 34.608 32.500 0.020 0.000 1.211 24 K HN 0.736 nan 8.250 nan 0.000 0.426 25 A N 2.629 125.481 122.820 0.053 0.000 2.019 25 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 25 A C 1.739 179.334 177.584 0.019 0.000 1.164 25 A CA 1.484 53.547 52.037 0.044 0.000 0.644 25 A CB -0.252 18.762 19.000 0.023 0.000 0.805 25 A HN 0.800 nan 8.150 nan 0.000 0.449 26 K N 0.152 120.561 120.400 0.014 0.000 2.044 26 K HA -0.204 4.116 4.320 -0.000 0.000 0.210 26 K C 0.455 177.057 176.600 0.003 0.000 1.049 26 K CA 1.786 58.077 56.287 0.007 0.000 0.927 26 K CB -0.259 32.246 32.500 0.009 0.000 0.713 26 K HN 0.776 nan 8.250 nan 0.000 0.443 27 D N 0.161 120.568 120.400 0.013 0.000 2.561 27 D HA 0.047 4.687 4.640 -0.000 0.000 0.232 27 D C -0.408 175.871 176.300 -0.035 0.000 1.198 27 D CA -0.368 53.630 54.000 -0.003 0.000 0.826 27 D CB 0.019 40.829 40.800 0.017 0.000 0.992 27 D HN -0.109 nan 8.370 nan 0.000 0.490 28 L N 1.092 122.293 121.223 -0.037 0.000 2.559 28 L HA 0.191 4.531 4.340 -0.000 0.000 0.274 28 L C -0.335 176.457 176.870 -0.130 0.000 1.205 28 L CA 0.154 54.948 54.840 -0.077 0.000 0.907 28 L CB 0.113 42.144 42.059 -0.046 0.000 1.153 28 L HN 0.199 nan 8.230 nan 0.000 0.490 29 I N 5.607 126.029 120.570 -0.247 0.000 2.330 29 I HA 0.270 4.440 4.170 -0.000 0.000 0.289 29 I C -0.555 175.461 176.117 -0.169 0.000 1.001 29 I CA -0.541 60.596 61.300 -0.271 0.000 1.193 29 I CB 1.379 39.055 38.000 -0.541 0.000 1.345 29 I HN 0.178 nan 8.210 nan 0.000 0.461 30 V N 5.299 125.161 119.914 -0.087 0.000 2.347 30 V HA 0.348 4.468 4.120 -0.000 0.000 0.280 30 V C 0.082 176.168 176.094 -0.015 0.000 1.021 30 V CA -0.378 61.891 62.300 -0.053 0.000 0.847 30 V CB 1.374 33.156 31.823 -0.068 0.000 0.990 30 V HN 0.708 nan 8.190 nan 0.000 0.444 31 T N 7.105 121.675 114.554 0.026 0.000 3.155 31 T HA 0.361 4.711 4.350 -0.000 0.000 0.384 31 T C -2.603 172.159 174.700 0.103 0.000 1.351 31 T CA -1.155 60.983 62.100 0.063 0.000 1.198 31 T CB 1.121 70.044 68.868 0.093 0.000 1.106 31 T HN 0.402 nan 8.240 nan 0.000 0.564 32 P HA 0.358 nan 4.420 nan 0.000 0.271 32 P C -0.377 177.087 177.300 0.273 0.000 1.218 32 P CA -0.465 62.758 63.100 0.205 0.000 0.780 32 P CB 0.473 32.234 31.700 0.101 0.000 0.901 33 A N 1.811 124.876 122.820 0.407 0.000 2.425 33 A HA 0.301 4.621 4.320 -0.000 0.000 0.249 33 A C 1.439 179.090 177.584 0.110 0.000 1.084 33 A CA 0.442 52.552 52.037 0.121 0.000 0.781 33 A CB -0.451 18.506 19.000 -0.072 0.000 1.019 33 A HN 0.669 nan 8.150 nan 0.000 0.490 34 T N 0.149 114.742 114.554 0.065 0.000 3.009 34 T HA 0.192 4.542 4.350 -0.000 0.000 0.258 34 T C 0.459 175.187 174.700 0.047 0.000 1.063 34 T CA 0.712 62.845 62.100 0.055 0.000 1.139 34 T CB -0.382 68.510 68.868 0.040 0.000 0.890 34 T HN 0.398 nan 8.240 nan 0.000 0.471 35 I N 2.528 123.120 120.570 0.036 0.000 2.328 35 I HA 0.380 4.550 4.170 -0.000 0.000 0.287 35 I C -0.950 175.193 176.117 0.043 0.000 1.012 35 I CA -1.054 60.267 61.300 0.034 0.000 1.195 35 I CB 1.321 39.336 38.000 0.024 0.000 1.350 35 I HN 0.044 nan 8.210 nan 0.000 0.464 36 L N 7.142 128.402 121.223 0.062 0.000 2.325 36 L HA 0.435 4.775 4.340 -0.000 0.000 0.279 36 L C 0.271 177.206 176.870 0.108 0.000 1.054 36 L CA -0.468 54.432 54.840 0.100 0.000 0.804 36 L CB 1.033 43.159 42.059 0.111 0.000 1.200 36 L HN 0.460 nan 8.230 nan 0.000 0.436 37 K N 1.292 121.812 120.400 0.200 0.000 2.118 37 K HA 0.270 4.590 4.320 -0.000 0.000 0.264 37 K C -0.283 176.372 176.600 0.091 0.000 1.000 37 K CA -0.617 55.791 56.287 0.202 0.000 0.929 37 K CB 0.909 33.614 32.500 0.342 0.000 1.021 37 K HN 0.511 nan 8.250 nan 0.000 0.463 38 E N 2.541 122.760 120.200 0.031 0.000 2.338 38 E HA -0.009 4.341 4.350 -0.000 0.000 0.272 38 E C -0.573 175.932 176.600 -0.158 0.000 1.029 38 E CA -0.570 55.780 56.400 -0.084 0.000 0.872 38 E CB 0.623 30.301 29.700 -0.038 0.000 1.015 38 E HN 0.184 nan 8.360 nan 0.000 0.417 39 K N 5.091 125.252 120.400 -0.398 0.000 2.319 39 K HA 0.219 4.539 4.320 -0.000 0.000 0.265 39 K C -2.074 174.465 176.600 -0.101 0.000 1.000 39 K CA -1.475 54.543 56.287 -0.449 0.000 0.943 39 K CB -0.015 32.166 32.500 -0.531 0.000 0.950 39 K HN 0.486 nan 8.250 nan 0.000 0.485 40 P HA 0.026 nan 4.420 nan 0.000 0.276 40 P C -0.513 176.801 177.300 0.024 0.000 1.244 40 P CA -0.389 62.739 63.100 0.047 0.000 0.801 40 P CB 0.443 32.196 31.700 0.087 0.000 1.006 41 D N 2.512 122.923 120.400 0.019 0.000 2.451 41 D HA -0.019 4.621 4.640 -0.000 0.000 0.254 41 D C -1.167 175.153 176.300 0.034 0.000 1.204 41 D CA -1.584 52.427 54.000 0.019 0.000 0.896 41 D CB 0.353 41.161 40.800 0.013 0.000 1.136 41 D HN 0.169 nan 8.370 nan 0.000 0.499 42 P HA -0.093 nan 4.420 nan 0.000 0.230 42 P C 0.292 177.621 177.300 0.048 0.000 1.158 42 P CA 0.811 63.947 63.100 0.059 0.000 0.769 42 P CB 0.188 31.937 31.700 0.081 0.000 0.807 43 N N -0.204 118.517 118.700 0.035 0.000 2.494 43 N HA -0.005 4.735 4.740 -0.000 0.000 0.182 43 N C 0.601 176.126 175.510 0.025 0.000 1.076 43 N CA 0.379 53.445 53.050 0.027 0.000 0.908 43 N CB -0.100 38.397 38.487 0.018 0.000 0.967 43 N HN 0.090 nan 8.380 nan 0.000 0.449 44 N N 0.372 119.088 118.700 0.027 0.000 2.536 44 N HA 0.143 4.883 4.740 -0.000 0.000 0.286 44 N C -1.116 174.409 175.510 0.026 0.000 1.577 44 N CA -0.068 52.997 53.050 0.024 0.000 0.883 44 N CB 1.036 39.535 38.487 0.019 0.000 1.390 44 N HN 0.088 nan 8.380 nan 0.000 0.491 45 L N 1.171 122.413 121.223 0.031 0.000 2.416 45 L HA 0.283 4.623 4.340 -0.000 0.000 0.272 45 L C 0.277 177.162 176.870 0.024 0.000 1.161 45 L CA -0.277 54.577 54.840 0.022 0.000 0.845 45 L CB 0.916 42.990 42.059 0.025 0.000 1.119 45 L HN -0.217 nan 8.230 nan 0.000 0.464 46 V N 4.071 123.989 119.914 0.005 0.000 2.394 46 V HA 0.077 4.197 4.120 -0.000 0.000 0.282 46 V C 0.827 176.922 176.094 0.002 0.000 1.031 46 V CA -0.467 61.847 62.300 0.023 0.000 0.881 46 V CB 1.204 33.037 31.823 0.016 0.000 0.982 46 V HN 0.671 nan 8.190 nan 0.000 0.451 47 F N 4.839 124.738 119.950 -0.085 0.000 2.174 47 F HA -0.243 4.284 4.527 -0.000 0.000 0.296 47 F C 1.803 177.486 175.800 -0.196 0.000 1.182 47 F CA 2.561 60.479 58.000 -0.136 0.000 1.265 47 F CB -0.486 38.424 39.000 -0.150 0.000 0.920 47 F HN 0.556 nan 8.300 nan 0.000 0.548 48 G N -1.678 106.792 108.800 -0.550 0.000 4.486 48 G HA2 0.322 4.282 3.960 -0.000 0.000 0.306 48 G HA3 0.322 4.282 3.960 -0.000 0.000 0.306 48 G C 0.553 175.167 174.900 -0.477 0.000 1.331 48 G CA 0.396 45.044 45.100 -0.754 0.000 1.113 48 G HN 0.638 nan 8.290 nan 0.000 0.594 49 T N -3.404 110.907 114.554 -0.406 0.000 3.015 49 T HA 0.244 4.594 4.350 -0.000 0.000 0.250 49 T C 0.577 175.080 174.700 -0.328 0.000 1.057 49 T CA 0.100 62.059 62.100 -0.235 0.000 1.066 49 T CB 0.560 69.382 68.868 -0.077 0.000 0.959 49 T HN -0.072 nan 8.240 nan 0.000 0.488 50 V N 2.074 121.689 119.914 -0.498 0.000 2.459 50 V HA 0.621 4.741 4.120 -0.000 0.000 0.295 50 V C -1.082 174.636 176.094 -0.627 0.000 1.029 50 V CA -1.076 61.023 62.300 -0.335 0.000 0.874 50 V CB 1.190 32.956 31.823 -0.095 0.000 0.985 50 V HN 0.360 nan 8.190 nan 0.000 0.438 51 F N 1.650 121.509 119.950 -0.151 0.000 2.561 51 F HA 0.622 5.149 4.527 -0.000 0.000 0.321 51 F C 0.952 176.396 175.800 -0.593 0.000 1.065 51 F CA -0.631 57.201 58.000 -0.280 0.000 0.934 51 F CB 2.013 40.892 39.000 -0.202 0.000 1.215 51 F HN 0.607 nan 8.300 nan 0.000 0.471 52 T N -2.836 111.308 114.554 -0.683 0.000 2.801 52 T HA 0.122 4.472 4.350 -0.000 0.000 0.324 52 T C 0.683 174.870 174.700 -0.856 0.000 1.088 52 T CA -0.364 60.769 62.100 -1.611 0.000 0.975 52 T CB 0.530 68.516 68.868 -1.471 0.000 1.316 52 T HN 0.514 nan 8.240 nan 0.000 0.533 53 D N -0.023 119.961 120.400 -0.692 0.000 2.162 53 D HA 0.057 4.697 4.640 -0.000 0.000 0.203 53 D C 0.500 176.472 176.300 -0.547 0.000 0.967 53 D CA 1.295 55.059 54.000 -0.394 0.000 0.840 53 D CB -0.083 40.562 40.800 -0.258 0.000 0.972 53 D HN 0.641 nan 8.370 nan 0.000 0.482 54 H N -1.225 117.772 119.070 -0.123 0.000 2.737 54 H HA 0.573 5.129 4.556 -0.000 0.000 0.358 54 H C 0.152 175.432 175.328 -0.081 0.000 1.187 54 H CA -0.879 55.128 56.048 -0.069 0.000 1.221 54 H CB 1.837 31.585 29.762 -0.023 0.000 1.799 54 H HN -0.156 nan 8.280 nan 0.000 0.568 55 M N 0.595 120.249 119.600 0.091 0.000 2.569 55 M HA 0.484 4.964 4.480 -0.000 0.000 0.279 55 M C -1.997 174.332 176.300 0.048 0.000 1.253 55 M CA -1.226 54.099 55.300 0.041 0.000 0.867 55 M CB 2.451 35.052 32.600 0.001 0.000 1.727 55 M HN 0.428 nan 8.290 nan 0.000 0.467 56 L N 2.351 123.594 121.223 0.034 0.000 2.309 56 L HA 0.841 5.181 4.340 -0.000 0.000 0.282 56 L C -0.677 176.210 176.870 0.029 0.000 1.036 56 L CA 0.559 55.402 54.840 0.006 0.000 0.806 56 L CB 1.856 43.882 42.059 -0.055 0.000 1.220 56 L HN 0.939 nan 8.230 nan 0.000 0.429 57 T N 2.165 116.729 114.554 0.017 0.000 2.886 57 T HA 0.788 5.138 4.350 -0.000 0.000 0.292 57 T C -1.006 173.682 174.700 -0.020 0.000 1.012 57 T CA -0.715 61.400 62.100 0.026 0.000 0.982 57 T CB 1.441 70.317 68.868 0.013 0.000 1.018 57 T HN 0.398 nan 8.240 nan 0.000 0.451 58 V N 1.328 121.214 119.914 -0.048 0.000 2.623 58 V HA 0.631 4.751 4.120 -0.000 0.000 0.304 58 V C -0.438 175.804 176.094 0.247 0.000 1.054 58 V CA -0.874 61.414 62.300 -0.020 0.000 0.882 58 V CB 1.486 33.003 31.823 -0.509 0.000 1.002 58 V HN 1.000 nan 8.190 nan 0.000 0.424 59 E N 2.671 123.039 120.200 0.279 0.000 2.266 59 E HA 0.557 4.907 4.350 -0.000 0.000 0.277 59 E C -1.401 175.391 176.600 0.320 0.000 1.018 59 E CA -0.233 56.322 56.400 0.259 0.000 0.840 59 E CB 1.526 31.314 29.700 0.146 0.000 1.082 59 E HN 0.652 nan 8.360 nan 0.000 0.395 60 W N 3.013 124.269 121.300 -0.074 0.000 2.950 60 W HA 0.605 5.264 4.660 -0.000 0.000 0.340 60 W C -1.238 175.187 176.519 -0.157 0.000 1.139 60 W CA -0.445 56.707 57.345 -0.321 0.000 1.188 60 W CB 1.455 30.334 29.460 -0.968 0.000 1.426 60 W HN 0.555 nan 8.180 nan 0.000 0.531 61 S N 1.269 116.331 115.700 -1.063 0.000 2.556 61 S HA 0.342 4.812 4.470 -0.000 0.000 0.271 61 S C 0.347 173.826 174.600 -1.868 0.000 1.135 61 S CA -0.103 57.445 58.200 -1.086 0.000 0.858 61 S CB 1.318 64.254 63.200 -0.439 0.000 1.114 61 S HN 0.817 nan 8.310 nan 0.000 0.468 62 S N 0.603 115.474 115.700 -1.380 0.000 2.399 62 S HA -0.160 4.310 4.470 -0.000 0.000 0.231 62 S C 1.460 175.722 174.600 -0.563 0.000 1.022 62 S CA 1.232 58.917 58.200 -0.859 0.000 0.983 62 S CB -0.766 62.254 63.200 -0.300 0.000 0.803 62 S HN 0.849 nan 8.310 nan 0.000 0.480 63 E N 0.515 120.363 120.200 -0.586 0.000 2.077 63 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 63 E C 0.924 177.067 176.600 -0.761 0.000 0.989 63 E CA 1.263 57.243 56.400 -0.700 0.000 0.800 63 E CB -0.104 29.042 29.700 -0.923 0.000 0.746 63 E HN 0.753 nan 8.360 nan 0.000 0.452 64 F N -0.791 118.989 119.950 -0.283 0.000 2.706 64 F HA 0.323 4.850 4.527 -0.000 0.000 0.313 64 F C 1.119 176.810 175.800 -0.182 0.000 1.096 64 F CA -0.095 57.795 58.000 -0.183 0.000 1.219 64 F CB 1.268 40.190 39.000 -0.130 0.000 1.051 64 F HN 0.219 nan 8.300 nan 0.000 0.568 65 G N 0.648 109.285 108.800 -0.272 0.000 2.562 65 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.250 65 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.250 65 G C -0.724 174.112 174.900 -0.106 0.000 1.269 65 G CA -0.708 44.264 45.100 -0.212 0.000 0.919 65 G HN 0.218 nan 8.290 nan 0.000 0.574 66 W N 1.323 122.863 121.300 0.400 0.000 2.303 66 W HA 0.549 5.209 4.660 -0.000 0.000 0.318 66 W C 0.839 177.527 176.519 0.282 0.000 1.362 66 W CA 0.155 57.783 57.345 0.473 0.000 1.234 66 W CB 0.717 30.517 29.460 0.568 0.000 1.248 66 W HN 0.724 nan 8.180 nan 0.000 0.546 67 E N 2.447 122.947 120.200 0.500 0.000 2.376 67 E HA 0.158 4.508 4.350 -0.000 0.000 0.254 67 E C -0.188 176.617 176.600 0.341 0.000 1.213 67 E CA -0.252 56.342 56.400 0.323 0.000 0.945 67 E CB 0.534 30.376 29.700 0.236 0.000 1.057 67 E HN 0.196 nan 8.360 nan 0.000 0.479 68 K N 2.243 122.787 120.400 0.240 0.000 2.326 68 K HA 0.176 4.496 4.320 -0.000 0.000 0.275 68 K C -2.087 174.618 176.600 0.174 0.000 1.018 68 K CA -1.399 54.994 56.287 0.176 0.000 0.962 68 K CB 0.256 32.802 32.500 0.077 0.000 0.953 68 K HN 0.390 nan 8.250 nan 0.000 0.475 69 P HA 0.093 nan 4.420 nan 0.000 0.277 69 P C -1.050 176.225 177.300 -0.041 0.000 1.240 69 P CA -0.006 63.094 63.100 -0.001 0.000 0.798 69 P CB 0.842 32.485 31.700 -0.096 0.000 0.979 70 H N 1.523 120.561 119.070 -0.054 0.000 2.589 70 H HA 0.429 4.985 4.556 -0.000 0.000 0.351 70 H C -0.258 175.050 175.328 -0.034 0.000 1.074 70 H CA -0.676 55.355 56.048 -0.029 0.000 1.203 70 H CB 1.723 31.477 29.762 -0.014 0.000 1.558 70 H HN 0.290 nan 8.280 nan 0.000 0.522 71 I N 4.785 125.383 120.570 0.048 0.000 2.321 71 I HA 0.200 4.370 4.170 -0.000 0.000 0.291 71 I C -0.033 176.132 176.117 0.080 0.000 0.998 71 I CA -0.215 61.106 61.300 0.035 0.000 1.227 71 I CB 0.696 38.674 38.000 -0.036 0.000 1.368 71 I HN 0.486 nan 8.210 nan 0.000 0.466 72 K N 6.031 126.507 120.400 0.127 0.000 2.469 72 K HA 0.702 5.022 4.320 -0.000 0.000 0.268 72 K C -3.133 173.579 176.600 0.186 0.000 1.027 72 K CA -2.122 54.259 56.287 0.158 0.000 0.893 72 K CB 1.294 33.857 32.500 0.104 0.000 1.460 72 K HN -0.006 nan 8.250 nan 0.000 0.449 73 P HA -0.024 nan 4.420 nan 0.000 0.269 73 P C -0.562 176.700 177.300 -0.063 0.000 1.209 73 P CA -0.459 62.624 63.100 -0.029 0.000 0.776 73 P CB 0.292 31.965 31.700 -0.044 0.000 0.876 74 L N 3.450 124.598 121.223 -0.125 0.000 2.540 74 L HA 0.067 4.407 4.340 -0.000 0.000 0.276 74 L C 0.171 176.960 176.870 -0.135 0.000 1.212 74 L CA 1.286 56.044 54.840 -0.137 0.000 0.893 74 L CB -0.614 41.344 42.059 -0.168 0.000 1.138 74 L HN 0.442 nan 8.230 nan 0.000 0.491 75 Q N 2.687 122.394 119.800 -0.156 0.000 2.534 75 Q HA 0.458 4.798 4.340 -0.000 0.000 0.290 75 Q C -1.094 174.793 176.000 -0.189 0.000 0.991 75 Q CA -1.172 54.544 55.803 -0.146 0.000 0.783 75 Q CB 0.737 29.409 28.738 -0.111 0.000 1.470 75 Q HN 0.518 nan 8.270 nan 0.000 0.406 76 N N 0.587 119.189 118.700 -0.164 0.000 2.416 76 N HA 0.215 4.955 4.740 -0.000 0.000 0.246 76 N C -0.674 174.723 175.510 -0.189 0.000 1.260 76 N CA 0.134 53.078 53.050 -0.177 0.000 0.897 76 N CB 0.333 38.742 38.487 -0.130 0.000 1.110 76 N HN 0.433 nan 8.380 nan 0.000 0.439 77 L N 0.411 121.502 121.223 -0.220 0.000 2.305 77 L HA 0.244 4.584 4.340 -0.000 0.000 0.281 77 L C 0.780 177.575 176.870 -0.125 0.000 1.085 77 L CA -0.449 54.269 54.840 -0.204 0.000 0.813 77 L CB 1.103 42.996 42.059 -0.276 0.000 1.157 77 L HN 0.378 nan 8.230 nan 0.000 0.436 78 S N 3.989 119.634 115.700 -0.093 0.000 2.399 78 S HA 0.535 5.005 4.470 -0.000 0.000 0.301 78 S C -0.585 173.998 174.600 -0.029 0.000 1.093 78 S CA -0.586 57.579 58.200 -0.059 0.000 1.077 78 S CB -0.074 63.095 63.200 -0.051 0.000 0.980 78 S HN 0.312 nan 8.310 nan 0.000 0.494 79 L N 5.431 126.643 121.223 -0.017 0.000 2.362 79 L HA 0.426 4.766 4.340 -0.000 0.000 0.275 79 L C 0.324 177.227 176.870 0.054 0.000 0.998 79 L CA -0.627 54.231 54.840 0.029 0.000 0.820 79 L CB 1.495 43.568 42.059 0.024 0.000 1.270 79 L HN 0.694 nan 8.230 nan 0.000 0.415 80 H N 5.894 124.971 119.070 0.012 0.000 3.034 80 H HA 0.038 4.594 4.556 -0.000 0.000 0.324 80 H C -1.580 173.770 175.328 0.036 0.000 1.015 80 H CA -0.684 55.375 56.048 0.018 0.000 1.429 80 H CB 1.314 31.087 29.762 0.019 0.000 1.429 80 H HN 0.399 nan 8.280 nan 0.000 0.585 81 P HA -0.094 nan 4.420 nan 0.000 0.221 81 P C 1.146 178.645 177.300 0.332 0.000 1.145 81 P CA 1.378 64.536 63.100 0.097 0.000 0.795 81 P CB -0.029 31.661 31.700 -0.017 0.000 0.775 82 G N -0.452 108.643 108.800 0.492 0.000 2.920 82 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.208 82 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.208 82 G C 0.448 175.417 174.900 0.116 0.000 1.159 82 G CA -0.092 45.138 45.100 0.215 0.000 0.784 82 G HN 0.184 nan 8.290 nan 0.000 0.535 83 S N 1.103 116.933 115.700 0.217 0.000 2.626 83 S HA 0.057 4.527 4.470 -0.000 0.000 0.303 83 S C 1.873 176.573 174.600 0.166 0.000 1.256 83 S CA 0.427 58.715 58.200 0.147 0.000 1.069 83 S CB 1.007 64.291 63.200 0.142 0.000 0.807 83 S HN 0.568 nan 8.310 nan 0.000 0.500 84 S N 3.283 119.047 115.700 0.107 0.000 2.442 84 S HA -0.154 4.316 4.470 -0.000 0.000 0.236 84 S C 1.889 176.556 174.600 0.111 0.000 1.007 84 S CA 0.613 58.881 58.200 0.113 0.000 0.965 84 S CB -0.417 62.888 63.200 0.175 0.000 0.773 84 S HN 0.833 nan 8.310 nan 0.000 0.504 85 A N 1.574 124.459 122.820 0.107 0.000 2.070 85 A HA 0.182 4.502 4.320 -0.000 0.000 0.220 85 A C 2.139 179.755 177.584 0.053 0.000 1.159 85 A CA 1.126 53.221 52.037 0.097 0.000 0.656 85 A CB -0.604 18.467 19.000 0.119 0.000 0.800 85 A HN 0.590 nan 8.150 nan 0.000 0.453 86 L N -2.375 118.859 121.223 0.019 0.000 2.416 86 L HA 0.086 4.426 4.340 -0.000 0.000 0.216 86 L C 2.238 178.923 176.870 -0.309 0.000 1.098 86 L CA 0.438 55.206 54.840 -0.120 0.000 0.840 86 L CB -0.306 41.665 42.059 -0.146 0.000 0.981 86 L HN 0.452 nan 8.230 nan 0.000 0.462 87 H N -1.703 117.219 119.070 -0.246 0.000 2.481 87 H HA 0.125 4.681 4.556 -0.000 0.000 0.291 87 H C 0.654 175.723 175.328 -0.432 0.000 1.009 87 H CA 0.869 56.614 56.048 -0.506 0.000 1.282 87 H CB 0.780 29.937 29.762 -1.009 0.000 1.457 87 H HN 0.197 nan 8.280 nan 0.000 0.525 88 Y N -0.186 120.207 120.300 0.155 0.000 2.682 88 Y HA 0.510 5.060 4.550 -0.000 0.000 0.251 88 Y C 1.031 176.971 175.900 0.067 0.000 1.172 88 Y CA -0.375 57.779 58.100 0.091 0.000 1.186 88 Y CB 0.269 38.772 38.460 0.071 0.000 1.216 88 Y HN 0.170 nan 8.280 nan 0.000 0.540 89 A N -0.151 122.761 122.820 0.154 0.000 2.745 89 A HA -0.199 4.120 4.320 -0.000 0.000 0.296 89 A C 0.009 177.665 177.584 0.121 0.000 1.500 89 A CA 0.736 52.849 52.037 0.126 0.000 0.766 89 A CB -2.304 16.769 19.000 0.122 0.000 1.030 89 A HN 0.125 nan 8.150 nan 0.000 0.489 90 V N 1.330 121.315 119.914 0.118 0.000 2.302 90 V HA 0.451 4.571 4.120 -0.000 0.000 0.244 90 V C 0.464 176.588 176.094 0.049 0.000 1.160 90 V CA 1.124 63.465 62.300 0.069 0.000 1.127 90 V CB -0.606 31.259 31.823 0.069 0.000 1.253 90 V HN 0.871 nan 8.190 nan 0.000 0.496 91 E N 5.770 126.003 120.200 0.055 0.000 2.388 91 E HA 0.685 5.035 4.350 -0.000 0.000 0.282 91 E C -1.744 174.933 176.600 0.128 0.000 1.026 91 E CA -1.053 55.405 56.400 0.097 0.000 0.820 91 E CB 2.310 32.102 29.700 0.152 0.000 1.226 91 E HN 0.281 nan 8.360 nan 0.000 0.432 92 L N -0.767 120.555 121.223 0.165 0.000 2.491 92 L HA 0.829 5.169 4.340 -0.000 0.000 0.254 92 L C -1.366 175.666 176.870 0.271 0.000 1.048 92 L CA -0.928 54.027 54.840 0.193 0.000 0.855 92 L CB 1.078 43.189 42.059 0.087 0.000 1.466 92 L HN 0.841 nan 8.230 nan 0.000 0.409 93 F N -1.434 118.553 119.950 0.062 0.000 2.715 93 F HA 0.946 5.473 4.527 -0.000 0.000 0.318 93 F C -0.723 175.094 175.800 0.027 0.000 1.141 93 F CA -0.600 57.405 58.000 0.008 0.000 0.950 93 F CB 1.384 40.374 39.000 -0.017 0.000 1.374 93 F HN 0.543 nan 8.300 nan 0.000 0.477 94 E N -0.248 120.012 120.200 0.099 0.000 2.410 94 E HA 0.696 5.046 4.350 -0.000 0.000 0.269 94 E C -1.269 175.419 176.600 0.146 0.000 0.937 94 E CA -0.991 55.416 56.400 0.012 0.000 0.793 94 E CB 2.111 31.805 29.700 -0.009 0.000 1.314 94 E HN 1.059 nan 8.360 nan 0.000 0.447 95 G N 1.084 109.936 108.800 0.086 0.000 2.739 95 G HA2 0.618 4.578 3.960 -0.000 0.000 0.291 95 G HA3 0.618 4.578 3.960 -0.000 0.000 0.291 95 G C -1.049 173.842 174.900 -0.014 0.000 1.478 95 G CA -0.495 44.624 45.100 0.032 0.000 1.062 95 G HN 0.334 nan 8.290 nan 0.000 0.532 96 L N -1.296 119.795 121.223 -0.220 0.000 2.630 96 L HA 0.908 5.248 4.340 -0.000 0.000 0.258 96 L C -1.087 175.689 176.870 -0.157 0.000 1.072 96 L CA -1.379 53.423 54.840 -0.063 0.000 0.885 96 L CB 2.133 44.181 42.059 -0.019 0.000 1.502 96 L HN 0.322 nan 8.230 nan 0.000 0.406 97 K N 0.380 120.733 120.400 -0.079 0.000 2.435 97 K HA 0.865 5.185 4.320 -0.000 0.000 0.251 97 K C -1.283 175.054 176.600 -0.438 0.000 0.954 97 K CA -0.708 55.385 56.287 -0.323 0.000 0.820 97 K CB 2.489 34.666 32.500 -0.538 0.000 1.292 97 K HN 0.847 nan 8.250 nan 0.000 0.436 98 A N 2.035 124.534 122.820 -0.536 0.000 2.337 98 A HA 0.805 5.125 4.320 -0.000 0.000 0.329 98 A C -1.327 175.875 177.584 -0.636 0.000 1.146 98 A CA -0.535 51.267 52.037 -0.391 0.000 0.800 98 A CB 0.218 19.122 19.000 -0.161 0.000 1.220 98 A HN 0.533 nan 8.150 nan 0.000 0.472 99 F N 0.454 120.330 119.950 -0.124 0.000 2.529 99 F HA 0.537 5.064 4.527 -0.000 0.000 0.320 99 F C 0.446 176.163 175.800 -0.140 0.000 1.118 99 F CA -0.563 57.287 58.000 -0.250 0.000 0.915 99 F CB 2.049 40.657 39.000 -0.654 0.000 1.161 99 F HN 0.655 nan 8.300 nan 0.000 0.445 100 R N 1.929 122.493 120.500 0.106 0.000 2.242 100 R HA 0.479 4.818 4.340 -0.000 0.000 0.334 100 R C 0.473 176.899 176.300 0.211 0.000 1.071 100 R CA -0.145 56.001 56.100 0.076 0.000 0.922 100 R CB 0.118 30.381 30.300 -0.062 0.000 1.023 100 R HN 0.906 nan 8.270 nan 0.000 0.458 101 G N 1.612 110.507 108.800 0.159 0.000 2.667 101 G HA2 0.071 4.030 3.960 -0.000 0.000 0.250 101 G HA3 0.071 4.030 3.960 -0.000 0.000 0.250 101 G C 1.121 176.129 174.900 0.180 0.000 1.212 101 G CA -0.168 45.051 45.100 0.198 0.000 0.874 101 G HN 0.625 nan 8.290 nan 0.000 0.561 102 V N -1.471 118.541 119.914 0.162 0.000 2.688 102 V HA -0.098 4.022 4.120 -0.000 0.000 0.256 102 V C 1.589 177.731 176.094 0.081 0.000 1.084 102 V CA 2.234 64.594 62.300 0.100 0.000 1.103 102 V CB -0.576 31.289 31.823 0.070 0.000 0.688 102 V HN 0.665 nan 8.190 nan 0.000 0.480 103 D N -1.156 119.293 120.400 0.081 0.000 2.368 103 D HA 0.081 4.721 4.640 -0.000 0.000 0.218 103 D C 1.088 177.430 176.300 0.070 0.000 1.112 103 D CA 0.289 54.328 54.000 0.066 0.000 0.834 103 D CB -0.579 40.254 40.800 0.056 0.000 0.953 103 D HN 0.498 nan 8.370 nan 0.000 0.505 104 N N -0.067 118.682 118.700 0.081 0.000 2.900 104 N HA -0.208 4.532 4.740 -0.000 0.000 0.240 104 N C -0.845 174.697 175.510 0.053 0.000 0.953 104 N CA 0.904 53.998 53.050 0.074 0.000 0.950 104 N CB -1.047 37.498 38.487 0.097 0.000 1.102 104 N HN 0.341 nan 8.380 nan 0.000 0.593 105 K N 0.563 120.997 120.400 0.057 0.000 2.298 105 K HA 0.283 4.603 4.320 -0.000 0.000 0.280 105 K C 0.214 176.845 176.600 0.051 0.000 1.032 105 K CA -0.182 56.135 56.287 0.050 0.000 0.958 105 K CB 0.793 33.324 32.500 0.052 0.000 0.978 105 K HN 0.202 nan 8.250 nan 0.000 0.472 106 I N 3.466 124.060 120.570 0.040 0.000 2.395 106 I HA 0.183 4.353 4.170 -0.000 0.000 0.289 106 I C 0.339 176.495 176.117 0.065 0.000 1.023 106 I CA -0.128 61.197 61.300 0.041 0.000 1.350 106 I CB 0.822 38.832 38.000 0.016 0.000 1.409 106 I HN 0.371 nan 8.210 nan 0.000 0.507 107 R N 5.924 126.487 120.500 0.104 0.000 2.686 107 R HA 0.657 4.997 4.340 -0.000 0.000 0.286 107 R C -1.186 175.241 176.300 0.211 0.000 0.969 107 R CA -0.849 55.338 56.100 0.144 0.000 0.898 107 R CB 2.088 32.477 30.300 0.149 0.000 1.183 107 R HN 0.506 nan 8.270 nan 0.000 0.456 108 L N 2.354 123.681 121.223 0.175 0.000 2.360 108 L HA 0.511 4.851 4.340 -0.000 0.000 0.271 108 L C -0.628 176.421 176.870 0.299 0.000 1.057 108 L CA -0.618 54.345 54.840 0.204 0.000 0.803 108 L CB 0.831 42.950 42.059 0.100 0.000 1.207 108 L HN 0.488 nan 8.230 nan 0.000 0.445 109 F N 1.984 122.043 119.950 0.181 0.000 2.460 109 F HA 0.270 4.797 4.527 -0.000 0.000 0.341 109 F C 0.205 176.045 175.800 0.068 0.000 1.130 109 F CA -0.502 57.589 58.000 0.152 0.000 0.962 109 F CB 0.814 39.948 39.000 0.222 0.000 1.171 109 F HN 0.513 nan 8.300 nan 0.000 0.436 110 Q N 5.128 124.636 119.800 -0.486 0.000 2.411 110 Q HA -0.192 4.148 4.340 -0.000 0.000 0.305 110 Q C -1.780 174.132 176.000 -0.146 0.000 1.273 110 Q CA 0.766 56.322 55.803 -0.412 0.000 0.895 110 Q CB -1.104 27.224 28.738 -0.685 0.000 1.198 110 Q HN 0.575 nan 8.270 nan 0.000 0.470 111 P HA -0.141 nan 4.420 nan 0.000 0.223 111 P C 0.954 178.241 177.300 -0.021 0.000 1.151 111 P CA 0.826 63.920 63.100 -0.010 0.000 0.787 111 P CB 0.087 31.793 31.700 0.010 0.000 0.788 112 N N -0.000 118.675 118.700 -0.041 0.000 2.309 112 N HA -0.020 4.720 4.740 -0.000 0.000 0.182 112 N C 1.889 177.373 175.510 -0.043 0.000 1.018 112 N CA 0.799 53.826 53.050 -0.038 0.000 0.876 112 N CB -0.336 38.123 38.487 -0.047 0.000 0.972 112 N HN 0.257 nan 8.380 nan 0.000 0.434 113 L N 1.054 122.238 121.223 -0.064 0.000 2.141 113 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 113 L C 1.847 178.703 176.870 -0.023 0.000 1.094 113 L CA 0.820 55.623 54.840 -0.060 0.000 0.763 113 L CB -0.393 41.606 42.059 -0.101 0.000 0.908 113 L HN 0.174 nan 8.230 nan 0.000 0.437 114 N N -0.181 118.514 118.700 -0.008 0.000 2.216 114 N HA -0.116 4.624 4.740 -0.000 0.000 0.183 114 N C 1.880 177.420 175.510 0.050 0.000 1.017 114 N CA 1.160 54.221 53.050 0.017 0.000 0.861 114 N CB -0.027 38.470 38.487 0.016 0.000 0.986 114 N HN 0.283 nan 8.380 nan 0.000 0.428 115 M N 1.285 120.919 119.600 0.055 0.000 2.132 115 M HA -0.090 4.390 4.480 -0.000 0.000 0.263 115 M C 1.239 177.602 176.300 0.104 0.000 1.065 115 M CA 1.240 56.611 55.300 0.118 0.000 1.122 115 M CB -1.057 31.598 32.600 0.091 0.000 1.365 115 M HN -0.006 nan 8.290 nan 0.000 0.411 116 D N -0.117 120.297 120.400 0.024 0.000 2.104 116 D HA -0.165 4.475 4.640 -0.000 0.000 0.194 116 D C 2.142 178.474 176.300 0.052 0.000 0.994 116 D CA 1.213 55.209 54.000 -0.007 0.000 0.830 116 D CB -0.322 40.452 40.800 -0.043 0.000 0.959 116 D HN 0.341 nan 8.370 nan 0.000 0.452 117 R N -0.104 120.425 120.500 0.048 0.000 2.073 117 R HA 0.013 4.353 4.340 -0.000 0.000 0.229 117 R C 2.337 178.689 176.300 0.086 0.000 1.120 117 R CA 0.717 56.845 56.100 0.046 0.000 0.967 117 R CB -0.205 30.104 30.300 0.014 0.000 0.862 117 R HN 0.116 nan 8.270 nan 0.000 0.436 118 M N -0.448 119.233 119.600 0.136 0.000 2.108 118 M HA -0.244 4.236 4.480 -0.000 0.000 0.261 118 M C 1.796 178.276 176.300 0.300 0.000 1.066 118 M CA 1.741 57.177 55.300 0.227 0.000 1.107 118 M CB -0.224 32.559 32.600 0.306 0.000 1.356 118 M HN 0.268 nan 8.290 nan 0.000 0.406 119 Y N 0.625 120.973 120.300 0.081 0.000 2.145 119 Y HA -0.244 4.306 4.550 -0.000 0.000 0.286 119 Y C 2.359 178.223 175.900 -0.059 0.000 1.145 119 Y CA 1.868 59.886 58.100 -0.136 0.000 1.148 119 Y CB -0.152 38.128 38.460 -0.300 0.000 0.981 119 Y HN 0.149 nan 8.280 nan 0.000 0.507 120 R N -0.536 120.076 120.500 0.186 0.000 2.083 120 R HA -0.179 4.161 4.340 -0.000 0.000 0.237 120 R C 2.406 178.718 176.300 0.020 0.000 1.137 120 R CA 1.742 57.896 56.100 0.090 0.000 0.951 120 R CB -0.572 29.767 30.300 0.066 0.000 0.851 120 R HN 0.282 nan 8.270 nan 0.000 0.434 121 S N 0.552 116.273 115.700 0.035 0.000 2.382 121 S HA -0.120 4.350 4.470 -0.000 0.000 0.228 121 S C 2.042 176.636 174.600 -0.010 0.000 1.027 121 S CA 1.176 59.385 58.200 0.015 0.000 0.991 121 S CB -0.120 63.094 63.200 0.024 0.000 0.823 121 S HN 0.481 nan 8.310 nan 0.000 0.469 122 A N 1.132 123.958 122.820 0.010 0.000 1.902 122 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 122 A C 2.327 179.814 177.584 -0.163 0.000 1.181 122 A CA 1.377 53.374 52.037 -0.066 0.000 0.623 122 A CB -0.869 18.209 19.000 0.129 0.000 0.818 122 A HN 0.334 nan 8.150 nan 0.000 0.443 123 V N 0.094 119.899 119.914 -0.181 0.000 2.261 123 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 123 V C 2.677 178.711 176.094 -0.099 0.000 1.047 123 V CA 2.415 64.620 62.300 -0.159 0.000 1.015 123 V CB -0.778 30.966 31.823 -0.132 0.000 0.642 123 V HN 0.630 nan 8.190 nan 0.000 0.446 124 R N 0.908 121.367 120.500 -0.068 0.000 2.127 124 R HA -0.085 4.255 4.340 -0.000 0.000 0.238 124 R C 1.925 178.190 176.300 -0.058 0.000 1.134 124 R CA 1.765 57.836 56.100 -0.049 0.000 0.975 124 R CB -0.757 29.525 30.300 -0.031 0.000 0.865 124 R HN 0.494 nan 8.270 nan 0.000 0.447 125 A N -0.883 121.889 122.820 -0.080 0.000 2.169 125 A HA 0.069 4.389 4.320 -0.000 0.000 0.212 125 A C 0.858 178.371 177.584 -0.118 0.000 1.153 125 A CA 1.186 53.169 52.037 -0.091 0.000 0.756 125 A CB -0.429 18.503 19.000 -0.113 0.000 0.813 125 A HN 0.627 nan 8.150 nan 0.000 0.471 126 T N -3.377 111.096 114.554 -0.135 0.000 4.712 126 T HA -0.177 4.173 4.350 -0.000 0.000 0.304 126 T C -0.056 174.508 174.700 -0.227 0.000 1.250 126 T CA 1.055 63.068 62.100 -0.145 0.000 2.371 126 T CB -2.848 65.964 68.868 -0.092 0.000 1.829 126 T HN 0.363 nan 8.240 nan 0.000 0.953 127 L N 1.516 122.541 121.223 -0.330 0.000 2.439 127 L HA 0.563 4.903 4.340 -0.000 0.000 0.261 127 L C -1.444 175.144 176.870 -0.469 0.000 1.153 127 L CA -2.625 51.889 54.840 -0.544 0.000 0.808 127 L CB 0.568 42.035 42.059 -0.987 0.000 1.126 127 L HN 0.086 nan 8.230 nan 0.000 0.460 128 P HA 0.026 nan 4.420 nan 0.000 0.268 128 P C -0.355 177.017 177.300 0.120 0.000 1.205 128 P CA -0.126 62.648 63.100 -0.543 0.000 0.771 128 P CB 0.877 31.572 31.700 -1.677 0.000 0.858 129 V N 4.231 124.163 119.914 0.030 0.000 3.051 129 V HA 0.238 4.358 4.120 -0.000 0.000 0.306 129 V C 0.460 176.768 176.094 0.357 0.000 1.083 129 V CA 0.639 62.908 62.300 -0.053 0.000 1.104 129 V CB -0.397 31.266 31.823 -0.267 0.000 1.027 129 V HN 0.603 nan 8.190 nan 0.000 0.483 130 F N 0.291 120.326 119.950 0.142 0.000 2.685 130 F HA 0.539 5.066 4.527 -0.000 0.000 0.315 130 F C -0.565 175.185 175.800 -0.084 0.000 1.126 130 F CA -1.437 56.490 58.000 -0.121 0.000 0.950 130 F CB 1.183 39.928 39.000 -0.424 0.000 1.360 130 F HN 0.381 nan 8.300 nan 0.000 0.469 131 D N 1.625 121.925 120.400 -0.167 0.000 2.317 131 D HA 0.152 4.792 4.640 -0.000 0.000 0.252 131 D C 0.469 176.751 176.300 -0.030 0.000 1.174 131 D CA 0.064 53.975 54.000 -0.148 0.000 0.866 131 D CB 1.490 42.169 40.800 -0.202 0.000 1.127 131 D HN 0.691 nan 8.370 nan 0.000 0.467 132 K N 2.618 122.994 120.400 -0.040 0.000 2.057 132 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 132 K C 1.627 178.243 176.600 0.027 0.000 1.049 132 K CA 1.127 57.451 56.287 0.062 0.000 0.931 132 K CB 0.259 32.723 32.500 -0.060 0.000 0.714 132 K HN 0.522 nan 8.250 nan 0.000 0.440 133 E N 0.538 120.714 120.200 -0.040 0.000 2.110 133 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 133 E C 1.907 178.484 176.600 -0.040 0.000 0.988 133 E CA 0.838 57.215 56.400 -0.040 0.000 0.804 133 E CB 0.142 29.810 29.700 -0.054 0.000 0.745 133 E HN 0.227 nan 8.360 nan 0.000 0.458 134 E N 0.569 120.718 120.200 -0.085 0.000 2.072 134 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 134 E C 2.144 178.739 176.600 -0.008 0.000 0.985 134 E CA 0.521 56.857 56.400 -0.108 0.000 0.801 134 E CB -0.218 29.303 29.700 -0.298 0.000 0.750 134 E HN 0.172 nan 8.360 nan 0.000 0.452 135 L N 0.979 122.211 121.223 0.016 0.000 2.027 135 L HA -0.106 4.234 4.340 -0.000 0.000 0.206 135 L C 2.284 179.184 176.870 0.049 0.000 1.074 135 L CA 1.207 56.121 54.840 0.124 0.000 0.745 135 L CB -0.804 41.294 42.059 0.066 0.000 0.898 135 L HN 0.099 nan 8.230 nan 0.000 0.433 136 L N -0.071 121.173 121.223 0.035 0.000 2.043 136 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 136 L C 2.492 179.366 176.870 0.007 0.000 1.075 136 L CA 2.203 57.052 54.840 0.014 0.000 0.752 136 L CB -0.928 41.138 42.059 0.011 0.000 0.891 136 L HN 0.494 nan 8.230 nan 0.000 0.432 137 E N -1.084 119.122 120.200 0.009 0.000 2.106 137 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 137 E C 2.231 178.836 176.600 0.008 0.000 0.984 137 E CA 1.700 58.103 56.400 0.006 0.000 0.806 137 E CB -0.598 29.103 29.700 0.002 0.000 0.750 137 E HN 0.616 nan 8.360 nan 0.000 0.458 138 C N -0.027 119.288 119.300 0.024 0.000 2.425 138 C HA -0.013 4.447 4.460 -0.000 0.000 0.277 138 C C 2.594 177.573 174.990 -0.018 0.000 1.280 138 C CA 0.516 59.540 59.018 0.010 0.000 1.744 138 C CB -0.959 26.798 27.740 0.029 0.000 1.989 138 C HN 0.468 nan 8.230 nan 0.000 0.491 139 I N 0.434 120.991 120.570 -0.021 0.000 2.252 139 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 139 I C 2.738 178.842 176.117 -0.022 0.000 1.102 139 I CA 1.463 62.743 61.300 -0.034 0.000 1.385 139 I CB -0.637 37.339 38.000 -0.041 0.000 1.064 139 I HN 0.462 nan 8.210 nan 0.000 0.414 140 Q N 0.282 120.074 119.800 -0.012 0.000 2.096 140 Q HA -0.247 4.093 4.340 -0.000 0.000 0.204 140 Q C 2.253 178.249 176.000 -0.006 0.000 0.982 140 Q CA 1.247 57.046 55.803 -0.005 0.000 0.850 140 Q CB -0.216 28.523 28.738 0.001 0.000 0.901 140 Q HN 0.531 nan 8.270 nan 0.000 0.422 141 Q N 0.429 120.222 119.800 -0.010 0.000 2.119 141 Q HA -0.116 4.224 4.340 -0.000 0.000 0.201 141 Q C 2.154 178.140 176.000 -0.024 0.000 0.972 141 Q CA 0.786 56.579 55.803 -0.017 0.000 0.847 141 Q CB -0.339 28.386 28.738 -0.021 0.000 0.903 141 Q HN 0.283 nan 8.270 nan 0.000 0.433 142 L N 0.003 121.212 121.223 -0.024 0.000 2.005 142 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 142 L C 2.173 179.043 176.870 -0.000 0.000 1.072 142 L CA 1.323 56.151 54.840 -0.021 0.000 0.744 142 L CB -0.621 41.426 42.059 -0.020 0.000 0.895 142 L HN -0.062 nan 8.230 nan 0.000 0.433 143 V N 0.065 119.978 119.914 -0.001 0.000 2.332 143 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 143 V C 2.663 178.778 176.094 0.035 0.000 1.055 143 V CA 2.157 64.465 62.300 0.014 0.000 1.038 143 V CB -0.872 30.949 31.823 -0.004 0.000 0.651 143 V HN 0.519 nan 8.190 nan 0.000 0.450 144 K N -0.162 120.250 120.400 0.020 0.000 2.009 144 K HA -0.183 4.136 4.320 -0.000 0.000 0.210 144 K C 2.272 178.894 176.600 0.035 0.000 1.049 144 K CA 1.655 57.957 56.287 0.025 0.000 0.929 144 K CB -0.276 32.231 32.500 0.010 0.000 0.714 144 K HN 0.372 nan 8.250 nan 0.000 0.440 145 L N 1.001 122.230 121.223 0.010 0.000 2.013 145 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 145 L C 0.777 177.713 176.870 0.110 0.000 1.073 145 L CA 1.737 56.574 54.840 -0.004 0.000 0.753 145 L CB -0.225 41.751 42.059 -0.138 0.000 0.890 145 L HN 0.255 nan 8.230 nan 0.000 0.432 146 D N -0.892 119.608 120.400 0.167 0.000 2.460 146 D HA 0.000 4.640 4.640 -0.000 0.000 0.229 146 D C 1.686 178.180 176.300 0.324 0.000 1.170 146 D CA 0.023 54.230 54.000 0.344 0.000 0.827 146 D CB 0.478 41.425 40.800 0.246 0.000 0.973 146 D HN 0.303 nan 8.370 nan 0.000 0.496 147 Q N 0.249 120.162 119.800 0.188 0.000 2.082 147 Q HA -0.221 4.119 4.340 -0.000 0.000 0.211 147 Q C 1.214 177.289 176.000 0.125 0.000 1.002 147 Q CA 1.248 57.125 55.803 0.124 0.000 0.868 147 Q CB 0.154 28.945 28.738 0.088 0.000 0.931 147 Q HN 0.269 nan 8.270 nan 0.000 0.414 148 E N -0.872 119.412 120.200 0.141 0.000 2.409 148 E HA -0.166 4.184 4.350 -0.000 0.000 0.198 148 E C 1.294 177.906 176.600 0.020 0.000 1.024 148 E CA 0.634 57.088 56.400 0.090 0.000 0.861 148 E CB -0.153 29.567 29.700 0.034 0.000 0.788 148 E HN 0.519 nan 8.360 nan 0.000 0.521 149 W N 0.644 121.979 121.300 0.058 0.000 2.770 149 W HA 0.001 4.661 4.660 -0.000 0.000 0.256 149 W C 0.612 177.125 176.519 -0.009 0.000 1.291 149 W CA 0.004 57.371 57.345 0.036 0.000 1.396 149 W CB 0.185 29.663 29.460 0.031 0.000 1.114 149 W HN -0.288 nan 8.180 nan 0.000 0.637 150 V N 3.717 123.716 119.914 0.141 0.000 2.425 150 V HA 0.018 4.138 4.120 -0.000 0.000 0.276 150 V C -1.768 174.283 176.094 -0.072 0.000 1.017 150 V CA -1.493 60.814 62.300 0.012 0.000 1.062 150 V CB -0.325 31.470 31.823 -0.047 0.000 0.997 150 V HN -0.297 nan 8.190 nan 0.000 0.476 151 P HA 0.002 nan 4.420 nan 0.000 0.265 151 P C -0.661 176.616 177.300 -0.039 0.000 1.187 151 P CA 0.124 63.248 63.100 0.040 0.000 0.766 151 P CB 0.159 31.912 31.700 0.090 0.000 0.820 152 Y N 1.692 122.025 120.300 0.055 0.000 2.570 152 Y HA 0.372 4.922 4.550 -0.000 0.000 0.336 152 Y C 0.963 176.894 175.900 0.051 0.000 1.284 152 Y CA 0.725 58.856 58.100 0.052 0.000 1.761 152 Y CB -0.124 38.348 38.460 0.020 0.000 1.724 152 Y HN 0.203 nan 8.280 nan 0.000 0.455 153 S N -0.087 115.700 115.700 0.144 0.000 2.583 153 S HA 0.135 4.605 4.470 -0.000 0.000 0.294 153 S C 0.519 175.166 174.600 0.079 0.000 1.121 153 S CA -0.403 57.855 58.200 0.097 0.000 0.910 153 S CB 0.514 63.768 63.200 0.090 0.000 1.102 153 S HN 0.534 nan 8.310 nan 0.000 0.451 154 T N 0.841 115.348 114.554 -0.078 0.000 3.194 154 T HA 0.180 4.529 4.350 -0.000 0.000 0.251 154 T C 0.913 175.283 174.700 -0.550 0.000 1.132 154 T CA 0.542 62.363 62.100 -0.465 0.000 1.028 154 T CB -0.081 68.508 68.868 -0.466 0.000 0.976 154 T HN 0.325 nan 8.240 nan 0.000 0.535 155 S N 0.483 116.097 115.700 -0.143 0.000 2.578 155 S HA 0.707 5.177 4.470 -0.000 0.000 0.231 155 S C 0.574 175.247 174.600 0.121 0.000 0.994 155 S CA -0.293 57.885 58.200 -0.036 0.000 0.956 155 S CB 0.403 63.583 63.200 -0.034 0.000 0.870 155 S HN 0.825 nan 8.310 nan 0.000 0.494 156 A N 1.463 124.411 122.820 0.214 0.000 2.532 156 A HA 0.925 5.245 4.320 -0.000 0.000 0.290 156 A C -0.398 177.359 177.584 0.288 0.000 1.143 156 A CA -0.630 51.538 52.037 0.218 0.000 0.728 156 A CB 1.489 20.569 19.000 0.134 0.000 1.317 156 A HN 0.399 nan 8.150 nan 0.000 0.414 157 S N -0.897 114.886 115.700 0.138 0.000 2.643 157 S HA 0.659 5.129 4.470 -0.000 0.000 0.270 157 S C -1.685 172.872 174.600 -0.073 0.000 1.166 157 S CA -0.578 57.599 58.200 -0.037 0.000 0.815 157 S CB 0.990 64.039 63.200 -0.251 0.000 1.139 157 S HN 1.647 nan 8.310 nan 0.000 0.472 158 L N 2.368 123.490 121.223 -0.167 0.000 2.262 158 L HA 0.548 4.888 4.340 -0.000 0.000 0.288 158 L C -1.021 175.787 176.870 -0.103 0.000 1.035 158 L CA -0.537 54.247 54.840 -0.093 0.000 0.820 158 L CB 0.448 42.466 42.059 -0.068 0.000 1.204 158 L HN 0.793 nan 8.230 nan 0.000 0.424 159 Y N 5.670 125.862 120.300 -0.181 0.000 2.377 159 Y HA 0.488 5.038 4.550 -0.000 0.000 0.330 159 Y C -0.316 175.517 175.900 -0.112 0.000 1.108 159 Y CA -0.150 57.860 58.100 -0.149 0.000 1.308 159 Y CB 0.551 38.883 38.460 -0.213 0.000 1.216 159 Y HN 0.522 nan 8.280 nan 0.000 0.518 160 I N 7.100 127.321 120.570 -0.582 0.000 2.378 160 I HA 0.358 4.527 4.170 -0.000 0.000 0.291 160 I C -0.605 175.179 176.117 -0.555 0.000 0.992 160 I CA -0.922 60.134 61.300 -0.407 0.000 1.154 160 I CB 1.559 39.405 38.000 -0.256 0.000 1.315 160 I HN 0.432 nan 8.210 nan 0.000 0.448 161 R N 8.332 128.671 120.500 -0.269 0.000 2.402 161 R HA 0.478 4.818 4.340 -0.000 0.000 0.290 161 R C -2.858 173.380 176.300 -0.104 0.000 1.321 161 R CA -2.189 53.828 56.100 -0.138 0.000 1.283 161 R CB 0.535 30.878 30.300 0.072 0.000 1.111 161 R HN 0.165 nan 8.270 nan 0.000 0.578 162 P HA 0.300 nan 4.420 nan 0.000 0.276 162 P C -1.314 175.874 177.300 -0.188 0.000 1.230 162 P CA -0.247 62.746 63.100 -0.178 0.000 0.776 162 P CB 1.652 33.267 31.700 -0.142 0.000 0.888 163 A N 3.075 125.635 122.820 -0.434 0.000 2.486 163 A HA 0.741 5.061 4.320 -0.000 0.000 0.300 163 A C -1.837 175.529 177.584 -0.364 0.000 1.048 163 A CA -0.362 51.387 52.037 -0.480 0.000 0.696 163 A CB 1.077 19.475 19.000 -1.002 0.000 1.278 163 A HN 0.382 nan 8.150 nan 0.000 0.405 164 F N 3.041 122.875 119.950 -0.193 0.000 2.579 164 F HA 0.654 5.181 4.527 -0.000 0.000 0.325 164 F C -0.799 175.034 175.800 0.055 0.000 1.162 164 F CA -1.780 56.197 58.000 -0.037 0.000 0.946 164 F CB 1.539 40.546 39.000 0.012 0.000 1.211 164 F HN 0.658 nan 8.300 nan 0.000 0.447 165 I N 1.948 122.763 120.570 0.408 0.000 2.730 165 I HA 0.864 5.034 4.170 -0.000 0.000 0.298 165 I C -0.007 176.205 176.117 0.158 0.000 1.089 165 I CA -1.154 60.281 61.300 0.225 0.000 1.041 165 I CB 2.223 40.396 38.000 0.287 0.000 1.235 165 I HN 0.640 nan 8.210 nan 0.000 0.423 166 G N 1.988 110.837 108.800 0.081 0.000 2.370 166 G HA2 0.447 4.407 3.960 -0.000 0.000 0.272 166 G HA3 0.447 4.407 3.960 -0.000 0.000 0.272 166 G C 0.441 175.411 174.900 0.117 0.000 1.208 166 G CA 0.015 45.163 45.100 0.079 0.000 0.856 166 G HN 0.903 nan 8.290 nan 0.000 0.500 167 T N -0.850 113.779 114.554 0.124 0.000 3.200 167 T HA 0.200 4.550 4.350 -0.000 0.000 0.284 167 T C 0.438 175.181 174.700 0.070 0.000 1.009 167 T CA -0.438 61.729 62.100 0.112 0.000 0.907 167 T CB 0.319 69.262 68.868 0.126 0.000 1.120 167 T HN 0.491 nan 8.240 nan 0.000 0.534 168 E N 4.125 124.361 120.200 0.060 0.000 2.606 168 E HA 0.070 4.420 4.350 -0.000 0.000 0.248 168 E C -1.256 175.308 176.600 -0.060 0.000 1.005 168 E CA -1.682 54.724 56.400 0.011 0.000 0.946 168 E CB 0.755 30.478 29.700 0.038 0.000 0.928 168 E HN 0.143 nan 8.360 nan 0.000 0.494 169 P HA -0.110 nan 4.420 nan 0.000 0.225 169 P C -0.207 176.904 177.300 -0.316 0.000 1.148 169 P CA 0.662 63.488 63.100 -0.458 0.000 0.779 169 P CB 0.095 31.340 31.700 -0.758 0.000 0.780 170 S N -0.715 114.885 115.700 -0.166 0.000 2.616 170 S HA 0.327 4.797 4.470 -0.000 0.000 0.277 170 S C 0.994 175.556 174.600 -0.063 0.000 1.234 170 S CA -0.772 57.365 58.200 -0.105 0.000 1.028 170 S CB 0.892 64.052 63.200 -0.068 0.000 0.988 170 S HN -0.071 nan 8.310 nan 0.000 0.522 171 L N 1.486 122.679 121.223 -0.051 0.000 2.558 171 L HA 0.247 4.587 4.340 -0.000 0.000 0.225 171 L C 1.628 178.595 176.870 0.161 0.000 1.128 171 L CA -0.021 54.821 54.840 0.003 0.000 0.868 171 L CB -1.048 40.980 42.059 -0.051 0.000 1.006 171 L HN 0.933 nan 8.230 nan 0.000 0.454 172 G N 0.713 109.552 108.800 0.064 0.000 2.305 172 G HA2 0.156 4.116 3.960 -0.000 0.000 0.243 172 G HA3 0.156 4.116 3.960 -0.000 0.000 0.243 172 G C -0.276 174.609 174.900 -0.024 0.000 1.288 172 G CA -0.137 44.970 45.100 0.011 0.000 0.901 172 G HN -0.054 nan 8.290 nan 0.000 0.516 173 V N 4.271 124.060 119.914 -0.208 0.000 2.370 173 V HA 0.560 4.680 4.120 -0.000 0.000 0.257 173 V C 0.307 176.288 176.094 -0.188 0.000 1.064 173 V CA -0.061 61.995 62.300 -0.408 0.000 0.975 173 V CB -0.717 30.659 31.823 -0.746 0.000 1.067 173 V HN 0.958 nan 8.190 nan 0.000 0.485 174 K N 4.135 124.477 120.400 -0.096 0.000 2.615 174 K HA 0.414 4.734 4.320 -0.000 0.000 0.291 174 K C -0.959 175.631 176.600 -0.016 0.000 1.017 174 K CA -1.179 55.077 56.287 -0.051 0.000 0.882 174 K CB 1.226 33.704 32.500 -0.037 0.000 1.522 174 K HN 0.266 nan 8.250 nan 0.000 0.412 175 K N 2.215 122.606 120.400 -0.016 0.000 2.473 175 K HA 0.038 4.358 4.320 -0.000 0.000 0.277 175 K C -1.890 174.726 176.600 0.027 0.000 1.052 175 K CA -0.811 55.472 56.287 -0.006 0.000 1.114 175 K CB 0.138 32.634 32.500 -0.006 0.000 0.869 175 K HN 0.343 nan 8.250 nan 0.000 0.481 176 P HA -0.032 nan 4.420 nan 0.000 0.268 176 P C 0.028 177.445 177.300 0.194 0.000 1.204 176 P CA -0.046 63.105 63.100 0.084 0.000 0.768 176 P CB 1.085 32.818 31.700 0.055 0.000 0.842 177 T N -0.914 113.739 114.554 0.165 0.000 3.069 177 T HA 0.180 4.530 4.350 -0.000 0.000 0.252 177 T C 0.586 175.354 174.700 0.113 0.000 1.053 177 T CA 0.174 62.365 62.100 0.152 0.000 0.964 177 T CB 0.117 68.980 68.868 -0.007 0.000 1.005 177 T HN 0.189 nan 8.240 nan 0.000 0.532 178 K N 0.857 121.384 120.400 0.211 0.000 2.468 178 K HA 0.783 5.103 4.320 -0.000 0.000 0.252 178 K C -1.620 175.149 176.600 0.281 0.000 0.932 178 K CA -0.464 55.940 56.287 0.195 0.000 0.794 178 K CB 2.528 35.072 32.500 0.074 0.000 1.241 178 K HN 0.282 nan 8.250 nan 0.000 0.428 179 A N 3.186 126.217 122.820 0.352 0.000 2.572 179 A HA 0.673 4.993 4.320 -0.000 0.000 0.295 179 A C -1.868 175.920 177.584 0.340 0.000 1.072 179 A CA -0.737 51.485 52.037 0.310 0.000 0.691 179 A CB 1.586 20.739 19.000 0.254 0.000 1.291 179 A HN 0.554 nan 8.150 nan 0.000 0.404 180 L N 2.201 123.655 121.223 0.385 0.000 2.376 180 L HA 0.615 4.955 4.340 -0.000 0.000 0.275 180 L C -1.649 175.489 176.870 0.447 0.000 0.987 180 L CA -0.668 54.396 54.840 0.374 0.000 0.828 180 L CB 1.389 43.625 42.059 0.296 0.000 1.249 180 L HN 0.831 nan 8.230 nan 0.000 0.409 181 L N 6.158 127.535 121.223 0.257 0.000 2.272 181 L HA 0.532 4.872 4.340 -0.000 0.000 0.289 181 L C -0.962 175.912 176.870 0.006 0.000 1.032 181 L CA -0.492 54.294 54.840 -0.091 0.000 0.810 181 L CB 1.024 42.734 42.059 -0.581 0.000 1.205 181 L HN 0.569 nan 8.230 nan 0.000 0.422 182 F N 3.735 123.624 119.950 -0.101 0.000 2.603 182 F HA 0.863 5.390 4.527 -0.000 0.000 0.317 182 F C -1.409 174.333 175.800 -0.097 0.000 1.066 182 F CA -1.129 56.812 58.000 -0.099 0.000 0.941 182 F CB 1.411 40.379 39.000 -0.054 0.000 1.291 182 F HN -0.001 nan 8.300 nan 0.000 0.472 183 V N 3.250 123.206 119.914 0.070 0.000 2.577 183 V HA 0.490 4.610 4.120 -0.000 0.000 0.303 183 V C -0.983 175.166 176.094 0.090 0.000 1.042 183 V CA -0.529 61.764 62.300 -0.012 0.000 0.872 183 V CB 1.423 33.201 31.823 -0.075 0.000 0.998 183 V HN 0.689 nan 8.190 nan 0.000 0.423 184 L N 5.256 126.537 121.223 0.097 0.000 2.331 184 L HA 0.671 5.011 4.340 -0.000 0.000 0.275 184 L C -0.344 176.573 176.870 0.078 0.000 1.022 184 L CA -0.342 54.579 54.840 0.134 0.000 0.812 184 L CB 1.730 43.934 42.059 0.240 0.000 1.257 184 L HN 0.475 nan 8.230 nan 0.000 0.435 185 L N 1.364 122.627 121.223 0.065 0.000 2.346 185 L HA 0.680 5.020 4.340 -0.000 0.000 0.276 185 L C -0.255 176.579 176.870 -0.060 0.000 1.006 185 L CA -0.403 54.422 54.840 -0.026 0.000 0.817 185 L CB 1.943 43.946 42.059 -0.093 0.000 1.272 185 L HN 0.557 nan 8.230 nan 0.000 0.421 186 S N 3.328 118.960 115.700 -0.113 0.000 2.776 186 S HA 0.517 4.987 4.470 -0.000 0.000 0.284 186 S C -2.728 171.761 174.600 -0.185 0.000 1.160 186 S CA -1.209 56.822 58.200 -0.282 0.000 1.051 186 S CB 1.646 64.550 63.200 -0.493 0.000 1.037 186 S HN 0.213 nan 8.310 nan 0.000 0.485 187 P HA 0.159 nan 4.420 nan 0.000 0.262 187 P C -0.641 176.605 177.300 -0.090 0.000 1.199 187 P CA -0.099 62.992 63.100 -0.015 0.000 0.763 187 P CB 0.537 32.305 31.700 0.113 0.000 0.790 188 V N 1.521 121.405 119.914 -0.051 0.000 2.962 188 V HA 0.965 5.085 4.120 -0.000 0.000 0.313 188 V C 0.071 176.206 176.094 0.069 0.000 1.099 188 V CA -0.595 61.687 62.300 -0.031 0.000 0.971 188 V CB 2.023 33.807 31.823 -0.065 0.000 1.028 188 V HN 0.587 nan 8.190 nan 0.000 0.430 189 G N 2.276 111.131 108.800 0.092 0.000 2.857 189 G HA2 0.775 4.735 3.960 -0.000 0.000 0.217 189 G HA3 0.775 4.735 3.960 -0.000 0.000 0.217 189 G C -2.627 172.348 174.900 0.125 0.000 1.357 189 G CA -1.337 43.826 45.100 0.104 0.000 1.033 189 G HN 0.748 nan 8.290 nan 0.000 0.571 198 N N 4.932 123.790 118.700 0.262 0.000 2.699 198 N HA 0.281 5.021 4.740 -0.000 0.000 0.232 198 N C -2.666 172.904 175.510 0.099 0.000 1.027 198 N CA -1.150 51.985 53.050 0.141 0.000 0.920 198 N CB 1.332 39.879 38.487 0.100 0.000 1.148 198 N HN 0.212 nan 8.380 nan 0.000 0.509 199 P HA 0.049 nan 4.420 nan 0.000 0.270 199 P C -0.059 177.259 177.300 0.031 0.000 1.223 199 P CA -0.234 62.880 63.100 0.022 0.000 0.785 199 P CB 0.899 32.612 31.700 0.022 0.000 0.923 200 V N -1.714 118.211 119.914 0.019 0.000 2.815 200 V HA 0.616 4.736 4.120 -0.000 0.000 0.314 200 V C -0.025 176.086 176.094 0.028 0.000 1.064 200 V CA -0.783 61.532 62.300 0.026 0.000 0.952 200 V CB 1.678 33.516 31.823 0.024 0.000 1.020 200 V HN 0.480 nan 8.190 nan 0.000 0.439 201 S N 3.387 119.112 115.700 0.040 0.000 2.508 201 S HA 0.723 5.193 4.470 -0.000 0.000 0.284 201 S C -0.383 174.255 174.600 0.063 0.000 1.192 201 S CA -0.537 57.696 58.200 0.055 0.000 1.070 201 S CB 0.759 64.003 63.200 0.074 0.000 1.004 201 S HN 0.651 nan 8.310 nan 0.000 0.493 202 L N 2.902 124.161 121.223 0.061 0.000 2.317 202 L HA 0.472 4.812 4.340 -0.000 0.000 0.281 202 L C -0.381 176.566 176.870 0.128 0.000 1.024 202 L CA -0.604 54.271 54.840 0.059 0.000 0.810 202 L CB 1.059 43.115 42.059 -0.005 0.000 1.240 202 L HN 0.633 nan 8.230 nan 0.000 0.427 203 W N 3.967 125.222 121.300 -0.075 0.000 2.316 203 W HA 0.613 5.272 4.660 -0.000 0.000 0.308 203 W C -1.024 175.453 176.519 -0.070 0.000 1.106 203 W CA -0.794 56.517 57.345 -0.057 0.000 1.262 203 W CB 1.582 30.999 29.460 -0.071 0.000 1.233 203 W HN 0.520 nan 8.180 nan 0.000 0.447 204 A N 6.080 128.593 122.820 -0.512 0.000 2.277 204 A HA 0.287 4.607 4.320 -0.000 0.000 0.318 204 A C -0.992 176.340 177.584 -0.420 0.000 1.339 204 A CA -0.579 51.254 52.037 -0.340 0.000 0.875 204 A CB 0.500 19.403 19.000 -0.163 0.000 1.158 204 A HN 0.572 nan 8.150 nan 0.000 0.514 205 N N 3.886 122.419 118.700 -0.277 0.000 2.531 205 N HA 0.386 5.126 4.740 -0.000 0.000 0.268 205 N C -2.292 173.221 175.510 0.006 0.000 1.023 205 N CA -1.978 50.979 53.050 -0.156 0.000 0.896 205 N CB 2.368 40.876 38.487 0.036 0.000 1.233 205 N HN 0.249 nan 8.380 nan 0.000 0.512 206 P HA -0.062 nan 4.420 nan 0.000 0.242 206 P C 0.665 178.004 177.300 0.066 0.000 1.197 206 P CA 0.748 63.907 63.100 0.098 0.000 0.765 206 P CB 0.205 31.967 31.700 0.103 0.000 0.936 207 K N -0.740 119.598 120.400 -0.102 0.000 2.418 207 K HA -0.051 4.269 4.320 -0.000 0.000 0.195 207 K C -0.107 176.361 176.600 -0.219 0.000 1.035 207 K CA 0.246 56.408 56.287 -0.208 0.000 1.003 207 K CB -0.381 31.915 32.500 -0.342 0.000 0.793 207 K HN 0.130 nan 8.250 nan 0.000 0.494 208 Y N 1.199 121.633 120.300 0.225 0.000 2.331 208 Y HA 0.392 4.942 4.550 -0.000 0.000 0.338 208 Y C -0.460 175.705 175.900 0.442 0.000 0.992 208 Y CA -1.382 56.917 58.100 0.332 0.000 1.121 208 Y CB 1.942 40.650 38.460 0.413 0.000 1.184 208 Y HN -0.309 nan 8.280 nan 0.000 0.469 209 V N 4.709 124.937 119.914 0.523 0.000 2.409 209 V HA 0.322 4.442 4.120 -0.000 0.000 0.291 209 V C 0.854 177.108 176.094 0.267 0.000 1.020 209 V CA -0.879 61.699 62.300 0.464 0.000 0.848 209 V CB 1.573 33.659 31.823 0.438 0.000 0.990 209 V HN 0.890 nan 8.190 nan 0.000 0.430 210 R N 2.890 123.415 120.500 0.042 0.000 2.090 210 R HA 0.245 4.585 4.340 -0.000 0.000 0.228 210 R C 0.544 176.694 176.300 -0.250 0.000 1.110 210 R CA 1.373 57.142 56.100 -0.551 0.000 0.973 210 R CB 0.279 29.857 30.300 -1.203 0.000 0.869 210 R HN 0.851 nan 8.270 nan 0.000 0.440 211 A N -1.025 121.777 122.820 -0.029 0.000 2.604 211 A HA 0.438 4.758 4.320 -0.000 0.000 0.295 211 A C -2.054 175.668 177.584 0.229 0.000 1.067 211 A CA -0.735 51.316 52.037 0.023 0.000 0.683 211 A CB 0.983 19.914 19.000 -0.115 0.000 1.281 211 A HN 0.300 nan 8.150 nan 0.000 0.407 212 W N 1.791 123.069 121.300 -0.036 0.000 2.962 212 W HA 0.406 5.065 4.660 -0.000 0.000 0.341 212 W C -0.879 175.621 176.519 -0.032 0.000 1.155 212 W CA -0.712 56.652 57.345 0.032 0.000 1.165 212 W CB 1.888 31.389 29.460 0.069 0.000 1.435 212 W HN 0.657 nan 8.180 nan 0.000 0.546 213 K N 1.519 121.781 120.400 -0.228 0.000 2.412 213 K HA 0.270 4.590 4.320 -0.000 0.000 0.281 213 K C 0.656 177.304 176.600 0.080 0.000 1.027 213 K CA 0.834 57.041 56.287 -0.132 0.000 0.989 213 K CB 0.449 32.815 32.500 -0.222 0.000 0.935 213 K HN 0.804 nan 8.250 nan 0.000 0.475 214 G N 1.829 110.663 108.800 0.056 0.000 2.157 214 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.239 214 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.239 214 G C 0.496 175.448 174.900 0.088 0.000 0.982 214 G CA 0.071 45.221 45.100 0.084 0.000 0.650 214 G HN 0.861 nan 8.290 nan 0.000 0.527 215 G N -1.156 107.695 108.800 0.084 0.000 2.857 215 G HA2 0.677 4.637 3.960 -0.000 0.000 0.217 215 G HA3 0.677 4.637 3.960 -0.000 0.000 0.217 215 G C 0.860 175.765 174.900 0.009 0.000 1.357 215 G CA 0.984 46.120 45.100 0.060 0.000 1.033 215 G HN 1.174 nan 8.290 nan 0.000 0.571 216 T N -3.556 110.989 114.554 -0.014 0.000 3.200 216 T HA 0.304 4.654 4.350 -0.000 0.000 0.284 216 T C 1.740 176.401 174.700 -0.065 0.000 1.009 216 T CA 0.831 62.910 62.100 -0.033 0.000 0.907 216 T CB 0.742 69.594 68.868 -0.027 0.000 1.120 216 T HN 0.658 nan 8.240 nan 0.000 0.534 217 G N 2.593 111.344 108.800 -0.082 0.000 2.509 217 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.218 217 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.218 217 G C 1.072 175.911 174.900 -0.100 0.000 1.124 217 G CA 0.846 45.870 45.100 -0.126 0.000 0.776 217 G HN 0.696 nan 8.290 nan 0.000 0.547 218 D N -0.809 119.548 120.400 -0.072 0.000 2.342 218 D HA 0.122 4.762 4.640 -0.000 0.000 0.221 218 D C 0.494 176.773 176.300 -0.035 0.000 1.101 218 D CA -0.482 53.486 54.000 -0.054 0.000 0.837 218 D CB -0.638 40.131 40.800 -0.052 0.000 0.938 218 D HN 0.126 nan 8.370 nan 0.000 0.508 219 C N -0.012 119.267 119.300 -0.034 0.000 2.562 219 C HA 0.453 4.913 4.460 -0.000 0.000 0.332 219 C C 0.723 175.708 174.990 -0.009 0.000 1.201 219 C CA -0.971 58.033 59.018 -0.022 0.000 1.803 219 C CB 1.895 29.625 27.740 -0.017 0.000 2.328 219 C HN 0.063 nan 8.230 nan 0.000 0.500 220 K N 1.308 121.678 120.400 -0.050 0.000 3.173 220 K HA 0.274 4.594 4.320 -0.000 0.000 0.255 220 K C -0.190 176.366 176.600 -0.074 0.000 1.235 220 K CA 0.140 56.348 56.287 -0.132 0.000 1.250 220 K CB -0.118 32.083 32.500 -0.500 0.000 1.382 220 K HN 0.615 nan 8.250 nan 0.000 0.421 221 M N -0.432 119.223 119.600 0.092 0.000 2.217 221 M HA 0.065 4.545 4.480 -0.000 0.000 0.354 221 M C 1.635 178.140 176.300 0.343 0.000 1.225 221 M CA -0.055 55.335 55.300 0.151 0.000 1.137 221 M CB 1.260 33.904 32.600 0.073 0.000 1.576 221 M HN 0.376 nan 8.290 nan 0.000 0.461 222 G N 1.945 110.978 108.800 0.389 0.000 2.450 222 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.220 222 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.220 222 G C 1.330 176.453 174.900 0.372 0.000 1.130 222 G CA 0.968 46.365 45.100 0.494 0.000 0.760 222 G HN 0.995 nan 8.290 nan 0.000 0.557 223 G N 0.709 109.631 108.800 0.203 0.000 2.485 223 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.221 223 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.221 223 G C 1.581 176.488 174.900 0.013 0.000 1.115 223 G CA 1.030 46.193 45.100 0.104 0.000 0.751 223 G HN 0.590 nan 8.290 nan 0.000 0.567 224 N N -1.059 117.581 118.700 -0.100 0.000 2.453 224 N HA -0.036 4.704 4.740 -0.000 0.000 0.183 224 N C 1.374 176.534 175.510 -0.584 0.000 1.041 224 N CA 0.832 53.611 53.050 -0.453 0.000 0.900 224 N CB -0.101 37.904 38.487 -0.803 0.000 0.961 224 N HN 0.539 nan 8.380 nan 0.000 0.443 225 Y N -1.124 119.222 120.300 0.077 0.000 2.558 225 Y HA 0.305 4.855 4.550 -0.000 0.000 0.273 225 Y C 2.437 178.392 175.900 0.093 0.000 1.100 225 Y CA -0.084 58.074 58.100 0.097 0.000 1.276 225 Y CB -0.309 38.245 38.460 0.158 0.000 1.196 225 Y HN -0.042 nan 8.280 nan 0.000 0.527 226 G N 0.274 109.194 108.800 0.200 0.000 2.442 226 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 226 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 226 G C 1.591 176.566 174.900 0.125 0.000 1.141 226 G CA 1.355 46.543 45.100 0.147 0.000 0.763 226 G HN 0.422 nan 8.290 nan 0.000 0.554 227 S N 0.614 116.368 115.700 0.089 0.000 2.603 227 S HA 0.029 4.499 4.470 -0.000 0.000 0.229 227 S C 1.977 176.669 174.600 0.153 0.000 0.972 227 S CA 1.173 59.426 58.200 0.088 0.000 0.935 227 S CB 0.001 63.220 63.200 0.032 0.000 0.769 227 S HN 0.560 nan 8.310 nan 0.000 0.536 228 S N 0.160 115.977 115.700 0.195 0.000 2.520 228 S HA 0.268 4.737 4.470 -0.000 0.000 0.219 228 S C 1.352 176.138 174.600 0.309 0.000 1.028 228 S CA -0.289 58.129 58.200 0.363 0.000 0.921 228 S CB -0.397 63.027 63.200 0.375 0.000 0.844 228 S HN 0.273 nan 8.310 nan 0.000 0.495 229 L N 1.054 122.408 121.223 0.218 0.000 2.131 229 L HA 0.211 4.551 4.340 -0.000 0.000 0.210 229 L C 2.058 178.993 176.870 0.109 0.000 1.092 229 L CA 1.452 56.382 54.840 0.150 0.000 0.759 229 L CB -1.113 41.024 42.059 0.130 0.000 0.903 229 L HN 0.453 nan 8.230 nan 0.000 0.435 230 F N 0.120 120.065 119.950 -0.008 0.000 2.113 230 F HA -0.206 4.321 4.527 -0.000 0.000 0.297 230 F C 2.384 178.076 175.800 -0.180 0.000 1.103 230 F CA 1.366 59.323 58.000 -0.071 0.000 1.248 230 F CB -0.299 38.668 39.000 -0.055 0.000 0.999 230 F HN 0.042 nan 8.300 nan 0.000 0.475 231 A N -0.294 122.475 122.820 -0.085 0.000 1.940 231 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 231 A C 2.054 179.518 177.584 -0.199 0.000 1.176 231 A CA 1.906 53.752 52.037 -0.319 0.000 0.631 231 A CB -0.956 17.821 19.000 -0.371 0.000 0.814 231 A HN 0.550 nan 8.150 nan 0.000 0.446 232 Q N -0.511 119.231 119.800 -0.096 0.000 2.123 232 Q HA -0.115 4.225 4.340 -0.000 0.000 0.199 232 Q C 1.931 177.834 176.000 -0.162 0.000 0.966 232 Q CA 2.184 57.937 55.803 -0.084 0.000 0.845 232 Q CB -0.964 27.784 28.738 0.016 0.000 0.907 232 Q HN 0.602 nan 8.270 nan 0.000 0.439 233 C N 0.623 119.799 119.300 -0.206 0.000 2.432 233 C HA -0.108 4.352 4.460 -0.000 0.000 0.277 233 C C 2.501 177.269 174.990 -0.370 0.000 1.249 233 C CA 1.145 60.004 59.018 -0.264 0.000 1.725 233 C CB -0.906 26.660 27.740 -0.289 0.000 2.028 233 C HN 0.736 nan 8.230 nan 0.000 0.477 234 E N 0.928 120.836 120.200 -0.485 0.000 2.085 234 E HA -0.264 4.086 4.350 -0.000 0.000 0.194 234 E C 1.957 178.086 176.600 -0.786 0.000 0.994 234 E CA 1.627 57.688 56.400 -0.564 0.000 0.801 234 E CB -0.359 29.080 29.700 -0.434 0.000 0.743 234 E HN 0.701 nan 8.360 nan 0.000 0.453 235 D N 0.107 120.110 120.400 -0.661 0.000 2.106 235 D HA -0.191 4.449 4.640 -0.000 0.000 0.191 235 D C 2.017 178.080 176.300 -0.395 0.000 0.997 235 D CA 2.053 55.723 54.000 -0.551 0.000 0.834 235 D CB -0.170 40.534 40.800 -0.160 0.000 0.956 235 D HN 0.205 nan 8.370 nan 0.000 0.448 236 V N 1.457 121.203 119.914 -0.279 0.000 2.343 236 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 236 V C 2.153 178.110 176.094 -0.229 0.000 1.051 236 V CA 2.101 64.281 62.300 -0.199 0.000 1.036 236 V CB -0.720 31.016 31.823 -0.145 0.000 0.654 236 V HN 0.153 nan 8.190 nan 0.000 0.451 237 D N 0.376 120.597 120.400 -0.299 0.000 2.271 237 D HA -0.131 4.509 4.640 -0.000 0.000 0.207 237 D C 1.465 177.590 176.300 -0.292 0.000 0.983 237 D CA 1.115 54.948 54.000 -0.280 0.000 0.878 237 D CB -0.290 40.320 40.800 -0.316 0.000 0.920 237 D HN 0.482 nan 8.370 nan 0.000 0.479 238 N N -0.689 117.773 118.700 -0.397 0.000 2.275 238 N HA 0.178 4.918 4.740 -0.000 0.000 0.236 238 N C 0.799 176.222 175.510 -0.144 0.000 1.154 238 N CA 0.367 53.218 53.050 -0.333 0.000 0.866 238 N CB 1.470 39.542 38.487 -0.692 0.000 1.093 238 N HN 0.100 nan 8.380 nan 0.000 0.515 239 G N 0.820 109.549 108.800 -0.118 0.000 2.153 239 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.252 239 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.252 239 G C 0.175 175.067 174.900 -0.013 0.000 0.994 239 G CA 0.128 45.199 45.100 -0.047 0.000 0.698 239 G HN 0.404 nan 8.290 nan 0.000 0.521 240 C N -0.918 118.365 119.300 -0.028 0.000 2.397 240 C HA 0.692 5.152 4.460 -0.000 0.000 0.343 240 C C 1.430 176.416 174.990 -0.007 0.000 1.188 240 C CA -0.399 58.634 59.018 0.025 0.000 1.992 240 C CB 1.848 29.657 27.740 0.115 0.000 2.358 240 C HN 0.565 nan 8.230 nan 0.000 0.518 241 Q N -0.115 119.694 119.800 0.014 0.000 2.394 241 Q HA 0.203 4.543 4.340 -0.000 0.000 0.218 241 Q C 0.437 176.441 176.000 0.006 0.000 0.907 241 Q CA 1.008 56.813 55.803 0.003 0.000 0.919 241 Q CB 0.239 28.984 28.738 0.012 0.000 1.051 241 Q HN 0.617 nan 8.270 nan 0.000 0.538 242 Q N -0.841 118.970 119.800 0.019 0.000 2.544 242 Q HA 0.497 4.837 4.340 -0.000 0.000 0.291 242 Q C -1.108 174.889 176.000 -0.005 0.000 1.068 242 Q CA -0.789 55.023 55.803 0.016 0.000 0.785 242 Q CB 2.444 31.202 28.738 0.032 0.000 1.481 242 Q HN -0.071 nan 8.270 nan 0.000 0.430 243 V N 1.742 121.602 119.914 -0.091 0.000 2.472 243 V HA 0.298 4.418 4.120 -0.000 0.000 0.290 243 V C -0.382 175.491 176.094 -0.368 0.000 1.037 243 V CA -0.737 61.394 62.300 -0.281 0.000 0.908 243 V CB 1.469 32.893 31.823 -0.664 0.000 0.985 243 V HN 0.539 nan 8.190 nan 0.000 0.454 244 L N 5.703 126.752 121.223 -0.289 0.000 2.261 244 L HA 0.475 4.814 4.340 -0.000 0.000 0.289 244 L C -0.833 175.908 176.870 -0.215 0.000 1.059 244 L CA -0.214 54.507 54.840 -0.197 0.000 0.816 244 L CB 0.421 42.404 42.059 -0.125 0.000 1.191 244 L HN 0.627 nan 8.230 nan 0.000 0.431 245 W N 6.728 128.068 121.300 0.067 0.000 2.388 245 W HA 0.454 5.114 4.660 -0.000 0.000 0.308 245 W C -0.442 176.133 176.519 0.094 0.000 1.263 245 W CA -0.383 57.023 57.345 0.102 0.000 1.286 245 W CB 0.424 29.944 29.460 0.100 0.000 1.294 245 W HN 0.328 nan 8.180 nan 0.000 0.493 246 L N 4.110 125.537 121.223 0.341 0.000 2.334 246 L HA 0.533 4.873 4.340 -0.000 0.000 0.275 246 L C -0.773 176.313 176.870 0.359 0.000 1.036 246 L CA -1.417 53.583 54.840 0.268 0.000 0.807 246 L CB 1.107 43.279 42.059 0.187 0.000 1.231 246 L HN 0.348 nan 8.230 nan 0.000 0.438 247 Y N 1.376 121.765 120.300 0.148 0.000 2.457 247 Y HA 0.657 5.207 4.550 -0.000 0.000 0.343 247 Y C 0.200 176.104 175.900 0.006 0.000 0.994 247 Y CA 0.057 58.212 58.100 0.092 0.000 1.031 247 Y CB 1.922 40.393 38.460 0.018 0.000 1.246 247 Y HN 0.787 nan 8.280 nan 0.000 0.449 248 G N 4.525 112.795 108.800 -0.885 0.000 2.796 248 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.571 248 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.571 248 G C 0.191 174.824 174.900 -0.445 0.000 1.370 248 G CA -0.165 44.432 45.100 -0.837 0.000 0.856 248 G HN 0.905 nan 8.290 nan 0.000 0.538 249 R N -0.298 119.971 120.500 -0.385 0.000 2.152 249 R HA -0.033 4.307 4.340 -0.000 0.000 0.232 249 R C 1.371 177.376 176.300 -0.491 0.000 1.117 249 R CA 1.593 57.475 56.100 -0.364 0.000 0.981 249 R CB -0.084 30.085 30.300 -0.220 0.000 0.870 249 R HN 0.524 nan 8.270 nan 0.000 0.451 250 D N -0.569 119.615 120.400 -0.361 0.000 2.340 250 D HA -0.009 4.631 4.640 -0.000 0.000 0.220 250 D C -0.347 175.859 176.300 -0.157 0.000 1.039 250 D CA 0.364 54.222 54.000 -0.237 0.000 0.866 250 D CB 0.088 40.813 40.800 -0.124 0.000 0.913 250 D HN 0.210 nan 8.370 nan 0.000 0.523 251 H N 0.391 119.442 119.070 -0.031 0.000 2.750 251 H HA -0.162 4.394 4.556 -0.000 0.000 0.327 251 H C -0.112 175.206 175.328 -0.016 0.000 1.199 251 H CA 0.435 56.477 56.048 -0.011 0.000 1.149 251 H CB -2.412 27.356 29.762 0.010 0.000 1.543 251 H HN 0.404 nan 8.280 nan 0.000 0.427 252 Q N 0.780 120.641 119.800 0.101 0.000 2.300 252 Q HA 0.256 4.596 4.340 -0.000 0.000 0.280 252 Q C 1.443 177.506 176.000 0.104 0.000 1.033 252 Q CA 0.070 55.940 55.803 0.111 0.000 0.903 252 Q CB 0.924 29.772 28.738 0.182 0.000 1.195 252 Q HN 0.561 nan 8.270 nan 0.000 0.386 253 I N -0.057 120.530 120.570 0.028 0.000 2.352 253 I HA 0.236 4.406 4.170 -0.000 0.000 0.290 253 I C 0.671 176.795 176.117 0.011 0.000 1.036 253 I CA -0.282 61.016 61.300 -0.003 0.000 1.336 253 I CB 1.132 39.075 38.000 -0.094 0.000 1.407 253 I HN 0.671 nan 8.210 nan 0.000 0.497 254 T N 2.035 116.627 114.554 0.063 0.000 3.238 254 T HA 0.353 4.703 4.350 -0.000 0.000 0.242 254 T C 0.553 175.269 174.700 0.027 0.000 0.980 254 T CA -0.076 62.048 62.100 0.040 0.000 1.235 254 T CB 0.180 69.091 68.868 0.072 0.000 1.069 254 T HN 0.704 nan 8.240 nan 0.000 0.407 255 E N 0.382 120.665 120.200 0.139 0.000 2.393 255 E HA 0.594 4.944 4.350 -0.000 0.000 0.273 255 E C -1.699 175.056 176.600 0.259 0.000 0.918 255 E CA -0.870 55.629 56.400 0.165 0.000 0.773 255 E CB 3.286 33.086 29.700 0.166 0.000 1.275 255 E HN 0.089 nan 8.360 nan 0.000 0.451 256 V N 2.501 122.528 119.914 0.189 0.000 2.277 256 V HA 0.352 4.472 4.120 -0.000 0.000 0.269 256 V C 0.902 177.127 176.094 0.218 0.000 1.036 256 V CA 0.498 62.889 62.300 0.151 0.000 0.821 256 V CB -0.056 31.813 31.823 0.077 0.000 1.052 256 V HN 1.020 nan 8.190 nan 0.000 0.462 257 G N 5.369 114.350 108.800 0.301 0.000 2.629 257 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.313 257 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.313 257 G C 0.855 176.019 174.900 0.440 0.000 1.217 257 G CA 0.752 46.092 45.100 0.401 0.000 0.994 257 G HN 1.238 nan 8.290 nan 0.000 0.549 258 T N -1.399 113.333 114.554 0.297 0.000 3.273 258 T HA 0.691 5.041 4.350 -0.000 0.000 0.254 258 T C 0.517 175.339 174.700 0.204 0.000 1.002 258 T CA 0.613 62.880 62.100 0.277 0.000 0.913 258 T CB -0.186 68.828 68.868 0.242 0.000 1.056 258 T HN 0.515 nan 8.240 nan 0.000 0.576 259 M N 1.500 121.212 119.600 0.187 0.000 2.591 259 M HA 0.441 4.921 4.480 -0.000 0.000 0.306 259 M C -0.453 175.925 176.300 0.131 0.000 1.190 259 M CA -0.929 54.464 55.300 0.155 0.000 0.889 259 M CB 1.911 34.597 32.600 0.144 0.000 1.728 259 M HN -0.042 nan 8.290 nan 0.000 0.458 260 N N 1.670 120.439 118.700 0.115 0.000 2.482 260 N HA 0.344 5.084 4.740 -0.000 0.000 0.260 260 N C -1.256 174.250 175.510 -0.008 0.000 1.236 260 N CA -0.153 52.913 53.050 0.027 0.000 0.938 260 N CB 1.130 39.620 38.487 0.006 0.000 1.128 260 N HN 0.566 nan 8.380 nan 0.000 0.448 261 L N 1.905 123.018 121.223 -0.184 0.000 2.296 261 L HA 0.479 4.818 4.340 -0.000 0.000 0.286 261 L C -1.311 175.253 176.870 -0.510 0.000 1.023 261 L CA -0.531 54.172 54.840 -0.229 0.000 0.812 261 L CB 0.306 42.256 42.059 -0.181 0.000 1.223 261 L HN 0.322 nan 8.230 nan 0.000 0.421 262 F N 5.207 124.874 119.950 -0.472 0.000 2.495 262 F HA 0.509 5.036 4.527 -0.000 0.000 0.327 262 F C -0.394 175.021 175.800 -0.642 0.000 1.103 262 F CA -0.533 57.078 58.000 -0.648 0.000 0.949 262 F CB 1.963 40.298 39.000 -1.107 0.000 1.142 262 F HN 0.254 nan 8.300 nan 0.000 0.457 263 L N 4.288 125.333 121.223 -0.296 0.000 2.343 263 L HA 0.392 4.732 4.340 -0.000 0.000 0.278 263 L C -1.717 175.104 176.870 -0.083 0.000 0.996 263 L CA -0.928 53.729 54.840 -0.306 0.000 0.831 263 L CB 1.363 43.061 42.059 -0.602 0.000 1.232 263 L HN 0.576 nan 8.230 nan 0.000 0.413 264 Y N 6.964 127.219 120.300 -0.074 0.000 2.385 264 Y HA 0.517 5.067 4.550 -0.000 0.000 0.341 264 Y C -0.899 175.116 175.900 0.192 0.000 0.965 264 Y CA -1.027 57.108 58.100 0.058 0.000 1.180 264 Y CB 0.529 39.033 38.460 0.073 0.000 1.139 264 Y HN 0.566 nan 8.280 nan 0.000 0.502 265 W N 6.365 127.525 121.300 -0.233 0.000 2.959 265 W HA 0.537 5.197 4.660 -0.000 0.000 0.358 265 W C -2.317 174.078 176.519 -0.206 0.000 1.228 265 W CA -2.364 54.846 57.345 -0.225 0.000 1.183 265 W CB 0.178 29.582 29.460 -0.094 0.000 1.467 265 W HN 0.333 nan 8.180 nan 0.000 0.578 266 I N 4.206 124.610 120.570 -0.277 0.000 2.312 266 I HA 0.096 4.265 4.170 -0.000 0.000 0.291 266 I C 0.777 176.336 176.117 -0.930 0.000 1.031 266 I CA -0.484 60.549 61.300 -0.445 0.000 1.293 266 I CB 0.502 38.343 38.000 -0.265 0.000 1.403 266 I HN 0.407 nan 8.210 nan 0.000 0.484 267 N N 5.053 123.168 118.700 -0.975 0.000 2.328 267 N HA 0.016 4.756 4.740 -0.000 0.000 0.277 267 N C 0.516 175.643 175.510 -0.638 0.000 1.286 267 N CA -0.166 52.188 53.050 -1.159 0.000 0.949 267 N CB 0.378 38.530 38.487 -0.559 0.000 1.136 267 N HN 0.392 nan 8.380 nan 0.000 0.550 268 E N -1.499 118.443 120.200 -0.430 0.000 2.274 268 E HA -0.034 4.316 4.350 -0.000 0.000 0.194 268 E C 0.113 176.623 176.600 -0.150 0.000 0.996 268 E CA 0.869 57.131 56.400 -0.230 0.000 0.840 268 E CB -0.113 29.518 29.700 -0.114 0.000 0.772 268 E HN 0.515 nan 8.360 nan 0.000 0.491 269 D N -0.654 119.663 120.400 -0.138 0.000 2.340 269 D HA 0.108 4.748 4.640 -0.000 0.000 0.220 269 D C 0.930 177.175 176.300 -0.092 0.000 1.039 269 D CA 0.721 54.670 54.000 -0.086 0.000 0.866 269 D CB 0.425 41.194 40.800 -0.051 0.000 0.913 269 D HN 0.246 nan 8.370 nan 0.000 0.523 270 G N 1.229 109.944 108.800 -0.141 0.000 2.143 270 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.248 270 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.248 270 G C -0.014 174.823 174.900 -0.106 0.000 0.991 270 G CA -0.110 44.914 45.100 -0.126 0.000 0.689 270 G HN 0.371 nan 8.290 nan 0.000 0.522 271 E N 0.219 120.350 120.200 -0.114 0.000 2.216 271 E HA 0.423 4.773 4.350 -0.000 0.000 0.279 271 E C 0.189 176.743 176.600 -0.077 0.000 0.997 271 E CA -0.634 55.733 56.400 -0.055 0.000 0.817 271 E CB 1.347 31.042 29.700 -0.007 0.000 1.096 271 E HN 0.412 nan 8.360 nan 0.000 0.393 272 E N 2.818 123.012 120.200 -0.009 0.000 2.366 272 E HA -0.041 4.309 4.350 -0.000 0.000 0.266 272 E C -0.733 175.961 176.600 0.156 0.000 1.015 272 E CA 0.384 56.789 56.400 0.008 0.000 0.906 272 E CB 0.602 30.336 29.700 0.057 0.000 0.979 272 E HN 0.407 nan 8.360 nan 0.000 0.443 273 E N 4.270 124.573 120.200 0.172 0.000 2.321 273 E HA 0.241 4.591 4.350 -0.000 0.000 0.278 273 E C -1.840 175.034 176.600 0.457 0.000 0.902 273 E CA -0.935 55.676 56.400 0.352 0.000 0.758 273 E CB 1.174 31.065 29.700 0.318 0.000 1.213 273 E HN 0.371 nan 8.360 nan 0.000 0.426 274 L N 3.641 125.126 121.223 0.438 0.000 2.257 274 L HA 0.680 5.020 4.340 -0.000 0.000 0.290 274 L C -1.064 175.977 176.870 0.286 0.000 1.044 274 L CA -0.041 55.015 54.840 0.361 0.000 0.810 274 L CB 0.851 43.130 42.059 0.367 0.000 1.193 274 L HN 0.586 nan 8.230 nan 0.000 0.425 275 A N 3.350 126.263 122.820 0.155 0.000 2.355 275 A HA 0.838 5.158 4.320 -0.000 0.000 0.324 275 A C -0.433 177.046 177.584 -0.175 0.000 1.117 275 A CA -0.446 51.596 52.037 0.008 0.000 0.785 275 A CB 1.541 20.520 19.000 -0.036 0.000 1.254 275 A HN 0.632 nan 8.150 nan 0.000 0.453 276 T N 1.871 116.271 114.554 -0.257 0.000 2.956 276 T HA 0.635 4.985 4.350 -0.000 0.000 0.312 276 T C -3.066 171.426 174.700 -0.347 0.000 1.151 276 T CA -1.340 60.471 62.100 -0.481 0.000 1.024 276 T CB 1.560 69.876 68.868 -0.919 0.000 1.140 276 T HN 0.337 nan 8.240 nan 0.000 0.473 277 P HA 0.201 nan 4.420 nan 0.000 0.265 277 P C -2.494 174.641 177.300 -0.275 0.000 1.187 277 P CA -0.768 62.175 63.100 -0.261 0.000 0.766 277 P CB -0.042 31.552 31.700 -0.176 0.000 0.820 278 P HA 0.156 nan 4.420 nan 0.000 0.276 278 P C -0.375 176.822 177.300 -0.172 0.000 1.252 278 P CA -0.167 62.768 63.100 -0.275 0.000 0.802 278 P CB 0.696 32.152 31.700 -0.408 0.000 1.035 279 L N 1.961 123.110 121.223 -0.123 0.000 2.480 279 L HA 0.102 4.442 4.340 -0.000 0.000 0.243 279 L C 0.806 177.634 176.870 -0.070 0.000 1.315 279 L CA 0.114 54.900 54.840 -0.089 0.000 1.231 279 L CB -0.880 41.138 42.059 -0.069 0.000 1.444 279 L HN 0.385 nan 8.230 nan 0.000 0.409 280 D N -0.518 119.842 120.400 -0.065 0.000 2.342 280 D HA 0.131 4.770 4.640 -0.000 0.000 0.221 280 D C 1.279 177.527 176.300 -0.087 0.000 1.101 280 D CA 0.504 54.477 54.000 -0.044 0.000 0.837 280 D CB 0.905 41.726 40.800 0.035 0.000 0.938 280 D HN 0.450 nan 8.370 nan 0.000 0.508 281 G N 1.151 109.890 108.800 -0.102 0.000 2.380 281 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.197 281 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.197 281 G C 0.777 175.594 174.900 -0.139 0.000 1.001 281 G CA 0.014 45.049 45.100 -0.108 0.000 0.668 281 G HN 0.507 nan 8.290 nan 0.000 0.483 282 I N -1.140 119.313 120.570 -0.195 0.000 3.976 282 I HA 0.683 4.853 4.170 -0.000 0.000 0.337 282 I C 0.055 176.070 176.117 -0.170 0.000 1.359 282 I CA -0.392 60.773 61.300 -0.225 0.000 1.098 282 I CB 0.363 38.112 38.000 -0.418 0.000 1.027 282 I HN -0.019 nan 8.210 nan 0.000 0.394 283 I N 2.076 122.566 120.570 -0.132 0.000 2.465 283 I HA 0.298 4.468 4.170 -0.000 0.000 0.291 283 I C -0.461 175.611 176.117 -0.075 0.000 1.014 283 I CA -0.701 60.538 61.300 -0.102 0.000 1.093 283 I CB 2.201 40.136 38.000 -0.108 0.000 1.267 283 I HN 0.063 nan 8.210 nan 0.000 0.431 284 L N 9.180 130.373 121.223 -0.050 0.000 2.418 284 L HA 0.335 4.675 4.340 -0.000 0.000 0.274 284 L C -2.136 174.725 176.870 -0.014 0.000 1.135 284 L CA -1.336 53.493 54.840 -0.019 0.000 0.870 284 L CB 0.697 42.771 42.059 0.026 0.000 1.154 284 L HN 0.344 nan 8.230 nan 0.000 0.462 285 P HA 0.098 nan 4.420 nan 0.000 0.256 285 P C 0.211 177.517 177.300 0.009 0.000 1.688 285 P CA -0.190 62.902 63.100 -0.013 0.000 1.162 285 P CB 0.021 31.709 31.700 -0.019 0.000 1.870 286 G N 1.841 110.660 108.800 0.031 0.000 2.432 286 G HA2 0.090 4.050 3.960 -0.000 0.000 0.239 286 G HA3 0.090 4.050 3.960 -0.000 0.000 0.239 286 G C 1.270 176.201 174.900 0.052 0.000 1.291 286 G CA -0.497 44.641 45.100 0.063 0.000 0.863 286 G HN 0.191 nan 8.290 nan 0.000 0.560 287 V N 2.175 122.119 119.914 0.050 0.000 2.307 287 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 287 V C 3.115 179.228 176.094 0.033 0.000 1.045 287 V CA 2.510 64.819 62.300 0.015 0.000 1.024 287 V CB -0.904 30.941 31.823 0.036 0.000 0.651 287 V HN 0.832 nan 8.190 nan 0.000 0.449 288 T N -0.150 114.467 114.554 0.105 0.000 2.720 288 T HA -0.265 4.085 4.350 -0.000 0.000 0.268 288 T C 1.983 176.760 174.700 0.129 0.000 1.037 288 T CA 1.801 63.970 62.100 0.115 0.000 1.144 288 T CB -0.328 68.623 68.868 0.139 0.000 0.864 288 T HN 0.397 nan 8.240 nan 0.000 0.444 289 R N 1.032 121.658 120.500 0.211 0.000 2.094 289 R HA -0.201 4.139 4.340 -0.000 0.000 0.239 289 R C 2.608 179.053 176.300 0.241 0.000 1.137 289 R CA 1.996 58.311 56.100 0.359 0.000 0.943 289 R CB -0.215 30.222 30.300 0.229 0.000 0.850 289 R HN 0.189 nan 8.270 nan 0.000 0.433 290 R N 0.394 120.951 120.500 0.093 0.000 2.094 290 R HA -0.151 4.189 4.340 -0.000 0.000 0.239 290 R C 2.280 178.568 176.300 -0.020 0.000 1.137 290 R CA 2.432 58.546 56.100 0.024 0.000 0.943 290 R CB -1.069 29.201 30.300 -0.051 0.000 0.850 290 R HN 0.402 nan 8.270 nan 0.000 0.433 291 C N -0.147 119.069 119.300 -0.139 0.000 2.429 291 C HA -0.006 4.454 4.460 -0.000 0.000 0.277 291 C C 2.584 177.586 174.990 0.019 0.000 1.262 291 C CA 0.742 59.611 59.018 -0.248 0.000 1.733 291 C CB -0.936 26.552 27.740 -0.420 0.000 2.010 291 C HN 0.547 nan 8.230 nan 0.000 0.483 292 I N 0.029 120.594 120.570 -0.009 0.000 2.226 292 I HA -0.184 3.986 4.170 -0.000 0.000 0.245 292 I C 2.401 178.466 176.117 -0.085 0.000 1.100 292 I CA 1.099 62.337 61.300 -0.104 0.000 1.374 292 I CB -0.452 37.351 38.000 -0.329 0.000 1.057 292 I HN 0.223 nan 8.210 nan 0.000 0.413 293 L N 0.556 121.817 121.223 0.064 0.000 2.017 293 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 293 L C 2.143 179.057 176.870 0.074 0.000 1.073 293 L CA 1.919 56.806 54.840 0.079 0.000 0.745 293 L CB -1.279 40.891 42.059 0.186 0.000 0.894 293 L HN 0.217 nan 8.230 nan 0.000 0.432 294 D N -0.887 119.593 120.400 0.134 0.000 2.106 294 D HA -0.195 4.445 4.640 -0.000 0.000 0.191 294 D C 2.271 178.558 176.300 -0.020 0.000 0.997 294 D CA 0.929 55.027 54.000 0.165 0.000 0.834 294 D CB -0.181 40.805 40.800 0.310 0.000 0.956 294 D HN 0.044 nan 8.370 nan 0.000 0.448 295 L N 0.854 121.976 121.223 -0.168 0.000 1.989 295 L HA -0.099 4.241 4.340 -0.000 0.000 0.211 295 L C 2.417 178.582 176.870 -1.175 0.000 1.071 295 L CA 1.580 55.995 54.840 -0.708 0.000 0.749 295 L CB -1.441 40.158 42.059 -0.767 0.000 0.890 295 L HN -0.014 nan 8.230 nan 0.000 0.431 296 A N -1.738 120.605 122.820 -0.795 0.000 1.933 296 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 296 A C 2.158 179.523 177.584 -0.364 0.000 1.175 296 A CA 1.681 53.413 52.037 -0.508 0.000 0.628 296 A CB -0.866 18.067 19.000 -0.111 0.000 0.814 296 A HN 0.581 nan 8.150 nan 0.000 0.444 297 H N -1.089 117.861 119.070 -0.200 0.000 2.321 297 H HA -0.156 4.400 4.556 -0.000 0.000 0.300 297 H C 2.328 177.579 175.328 -0.128 0.000 1.087 297 H CA 1.741 57.718 56.048 -0.118 0.000 1.319 297 H CB 0.026 29.752 29.762 -0.060 0.000 1.379 297 H HN 0.709 nan 8.280 nan 0.000 0.501 298 Q N 0.200 119.960 119.800 -0.066 0.000 2.050 298 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 298 Q C 1.529 177.556 176.000 0.044 0.000 0.980 298 Q CA 1.603 57.371 55.803 -0.058 0.000 0.840 298 Q CB -0.091 28.567 28.738 -0.134 0.000 0.898 298 Q HN 0.515 nan 8.270 nan 0.000 0.424 299 W N 0.230 121.481 121.300 -0.081 0.000 2.338 299 W HA 0.052 4.712 4.660 -0.000 0.000 0.304 299 W C 1.540 177.968 176.519 -0.152 0.000 1.212 299 W CA 1.555 58.824 57.345 -0.127 0.000 1.264 299 W CB -1.252 28.097 29.460 -0.185 0.000 1.142 299 W HN 0.503 nan 8.180 nan 0.000 0.512 300 G N 0.594 109.400 108.800 0.011 0.000 2.273 300 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.280 300 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.280 300 G C 0.718 175.586 174.900 -0.054 0.000 1.047 300 G CA 0.689 45.769 45.100 -0.034 0.000 0.869 300 G HN 0.427 nan 8.290 nan 0.000 0.502 301 E N -1.538 118.556 120.200 -0.177 0.000 2.389 301 E HA 0.367 4.717 4.350 -0.000 0.000 0.199 301 E C 0.663 177.322 176.600 0.098 0.000 0.978 301 E CA 0.616 56.989 56.400 -0.045 0.000 0.912 301 E CB 0.348 30.062 29.700 0.023 0.000 0.907 301 E HN 0.811 nan 8.360 nan 0.000 0.494 302 F N -1.372 118.690 119.950 0.186 0.000 2.686 302 F HA 0.469 4.996 4.527 -0.000 0.000 0.311 302 F C -0.637 175.261 175.800 0.163 0.000 1.128 302 F CA -1.682 56.431 58.000 0.188 0.000 0.946 302 F CB 0.875 40.044 39.000 0.282 0.000 1.336 302 F HN -0.462 nan 8.300 nan 0.000 0.457 303 K N 1.331 121.974 120.400 0.406 0.000 2.436 303 K HA 0.472 4.792 4.320 -0.000 0.000 0.275 303 K C -1.310 175.509 176.600 0.365 0.000 0.999 303 K CA -0.221 56.240 56.287 0.290 0.000 0.980 303 K CB 0.801 33.434 32.500 0.221 0.000 0.919 303 K HN 0.614 nan 8.250 nan 0.000 0.484 304 V N 3.190 123.229 119.914 0.208 0.000 2.407 304 V HA 0.244 4.364 4.120 -0.000 0.000 0.291 304 V C -0.886 175.283 176.094 0.124 0.000 1.018 304 V CA -0.701 61.671 62.300 0.120 0.000 0.842 304 V CB 1.603 33.257 31.823 -0.282 0.000 0.996 304 V HN 0.740 nan 8.190 nan 0.000 0.426 305 S N 3.762 119.544 115.700 0.136 0.000 2.707 305 S HA 0.400 4.870 4.470 -0.000 0.000 0.303 305 S C -0.470 174.148 174.600 0.030 0.000 1.132 305 S CA -0.766 57.495 58.200 0.102 0.000 1.046 305 S CB 1.242 64.522 63.200 0.133 0.000 1.004 305 S HN 0.778 nan 8.310 nan 0.000 0.483 306 E N 3.357 123.553 120.200 -0.006 0.000 2.129 306 E HA 0.367 4.717 4.350 -0.000 0.000 0.283 306 E C 0.213 176.712 176.600 -0.170 0.000 1.080 306 E CA -0.238 56.100 56.400 -0.104 0.000 0.867 306 E CB 0.496 30.141 29.700 -0.092 0.000 1.056 306 E HN 0.586 nan 8.360 nan 0.000 0.404 307 R N 1.658 122.015 120.500 -0.239 0.000 2.716 307 R HA 0.311 4.651 4.340 -0.000 0.000 0.271 307 R C -1.340 174.759 176.300 -0.336 0.000 1.028 307 R CA -0.943 54.989 56.100 -0.281 0.000 0.883 307 R CB 0.524 30.792 30.300 -0.053 0.000 1.250 307 R HN 0.225 nan 8.270 nan 0.000 0.465 308 Y N 1.027 121.317 120.300 -0.016 0.000 2.359 308 Y HA 0.378 4.928 4.550 -0.000 0.000 0.330 308 Y C -0.158 175.723 175.900 -0.030 0.000 1.143 308 Y CA -0.589 57.494 58.100 -0.029 0.000 1.318 308 Y CB 0.819 39.273 38.460 -0.010 0.000 1.234 308 Y HN 0.192 nan 8.280 nan 0.000 0.522 309 L N 3.305 124.577 121.223 0.082 0.000 2.409 309 L HA 0.451 4.791 4.340 -0.000 0.000 0.272 309 L C 0.010 176.873 176.870 -0.012 0.000 0.980 309 L CA -0.706 54.112 54.840 -0.037 0.000 0.826 309 L CB 1.822 43.760 42.059 -0.202 0.000 1.268 309 L HN 0.796 nan 8.230 nan 0.000 0.407 310 T N -0.300 114.252 114.554 -0.004 0.000 2.949 310 T HA 0.417 4.767 4.350 -0.000 0.000 0.287 310 T C 1.236 175.906 174.700 -0.051 0.000 1.034 310 T CA -0.782 61.318 62.100 -0.000 0.000 1.018 310 T CB 1.089 69.979 68.868 0.035 0.000 1.135 310 T HN 0.337 nan 8.240 nan 0.000 0.532 311 M N 0.810 120.363 119.600 -0.079 0.000 2.149 311 M HA -0.058 4.422 4.480 -0.000 0.000 0.261 311 M C 1.379 177.642 176.300 -0.062 0.000 1.064 311 M CA 1.489 56.681 55.300 -0.180 0.000 1.102 311 M CB -1.423 30.920 32.600 -0.428 0.000 1.369 311 M HN 0.687 nan 8.290 nan 0.000 0.408 312 D N 0.508 120.920 120.400 0.019 0.000 2.117 312 D HA -0.126 4.514 4.640 -0.000 0.000 0.198 312 D C 1.568 177.913 176.300 0.075 0.000 0.982 312 D CA 0.991 55.026 54.000 0.058 0.000 0.828 312 D CB -0.276 40.569 40.800 0.076 0.000 0.967 312 D HN 0.268 nan 8.370 nan 0.000 0.464 313 D N 0.590 121.043 120.400 0.088 0.000 2.116 313 D HA -0.149 4.491 4.640 -0.000 0.000 0.193 313 D C 2.118 178.544 176.300 0.209 0.000 0.998 313 D CA 0.376 54.482 54.000 0.177 0.000 0.836 313 D CB -0.293 40.616 40.800 0.183 0.000 0.951 313 D HN 0.173 nan 8.370 nan 0.000 0.449 314 L N 0.886 122.146 121.223 0.062 0.000 2.023 314 L HA -0.140 4.200 4.340 -0.000 0.000 0.205 314 L C 2.460 179.367 176.870 0.062 0.000 1.073 314 L CA 2.068 56.920 54.840 0.020 0.000 0.745 314 L CB -0.952 41.044 42.059 -0.104 0.000 0.900 314 L HN 0.195 nan 8.230 nan 0.000 0.435 315 T N -4.445 110.132 114.554 0.037 0.000 2.788 315 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 315 T C 1.749 176.490 174.700 0.069 0.000 1.044 315 T CA 1.698 63.828 62.100 0.049 0.000 1.139 315 T CB -0.802 68.096 68.868 0.049 0.000 0.867 315 T HN 0.254 nan 8.240 nan 0.000 0.454 316 T N 2.067 116.671 114.554 0.083 0.000 2.746 316 T HA 0.120 4.470 4.350 -0.000 0.000 0.267 316 T C 2.467 177.218 174.700 0.085 0.000 1.039 316 T CA 1.237 63.383 62.100 0.078 0.000 1.142 316 T CB -0.759 68.156 68.868 0.079 0.000 0.866 316 T HN 0.611 nan 8.240 nan 0.000 0.444 317 A N 1.025 123.932 122.820 0.145 0.000 1.898 317 A HA 0.072 4.392 4.320 -0.000 0.000 0.216 317 A C 2.275 179.925 177.584 0.109 0.000 1.181 317 A CA 1.058 53.188 52.037 0.156 0.000 0.620 317 A CB -0.772 18.466 19.000 0.397 0.000 0.819 317 A HN 0.457 nan 8.150 nan 0.000 0.442 318 L N -0.727 120.557 121.223 0.102 0.000 2.083 318 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 318 L C 2.559 179.463 176.870 0.057 0.000 1.083 318 L CA 1.575 56.459 54.840 0.073 0.000 0.752 318 L CB -0.486 41.609 42.059 0.060 0.000 0.899 318 L HN 0.455 nan 8.230 nan 0.000 0.433 319 E N -0.162 120.069 120.200 0.052 0.000 2.077 319 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 319 E C 1.939 178.557 176.600 0.029 0.000 0.989 319 E CA 1.096 57.520 56.400 0.039 0.000 0.800 319 E CB -0.272 29.450 29.700 0.037 0.000 0.746 319 E HN 0.504 nan 8.360 nan 0.000 0.452 320 G N 0.441 109.256 108.800 0.024 0.000 3.124 320 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.212 320 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.212 320 G C -0.071 174.831 174.900 0.004 0.000 1.181 320 G CA -0.226 44.878 45.100 0.007 0.000 0.803 320 G HN 0.140 nan 8.290 nan 0.000 0.529 321 N N -0.328 118.384 118.700 0.019 0.000 2.727 321 N HA -0.174 4.566 4.740 -0.000 0.000 0.249 321 N C 1.172 176.684 175.510 0.004 0.000 1.048 321 N CA 0.856 53.917 53.050 0.018 0.000 0.714 321 N CB -0.661 37.834 38.487 0.013 0.000 0.959 321 N HN 0.505 nan 8.380 nan 0.000 0.544 322 R N -0.513 119.994 120.500 0.011 0.000 2.290 322 R HA 0.176 4.516 4.340 -0.000 0.000 0.197 322 R C 0.392 176.716 176.300 0.041 0.000 0.913 322 R CA 0.181 56.270 56.100 -0.019 0.000 1.040 322 R CB 0.729 30.984 30.300 -0.074 0.000 0.992 322 R HN -0.026 nan 8.270 nan 0.000 0.500 323 V N 1.901 121.871 119.914 0.094 0.000 2.465 323 V HA 0.150 4.270 4.120 -0.000 0.000 0.279 323 V C 0.908 177.025 176.094 0.038 0.000 1.045 323 V CA -0.269 62.106 62.300 0.125 0.000 0.938 323 V CB 1.563 33.453 31.823 0.111 0.000 0.986 323 V HN 0.199 nan 8.190 nan 0.000 0.467 324 R N 2.721 123.223 120.500 0.003 0.000 2.056 324 R HA 0.346 4.686 4.340 -0.000 0.000 0.215 324 R C 0.100 176.454 176.300 0.089 0.000 1.205 324 R CA 0.496 56.589 56.100 -0.012 0.000 1.020 324 R CB 0.388 30.571 30.300 -0.194 0.000 0.911 324 R HN 0.728 nan 8.270 nan 0.000 0.451 325 E N 0.008 120.311 120.200 0.173 0.000 2.356 325 E HA 0.433 4.783 4.350 -0.000 0.000 0.275 325 E C -1.200 175.501 176.600 0.169 0.000 0.904 325 E CA -0.419 56.111 56.400 0.218 0.000 0.757 325 E CB 3.136 33.059 29.700 0.372 0.000 1.232 325 E HN -0.084 nan 8.360 nan 0.000 0.442 326 M N 3.592 123.261 119.600 0.115 0.000 2.327 326 M HA 0.581 5.061 4.480 -0.000 0.000 0.298 326 M C -1.965 174.407 176.300 0.120 0.000 1.065 326 M CA -0.667 54.637 55.300 0.007 0.000 0.916 326 M CB 1.108 33.664 32.600 -0.073 0.000 1.630 326 M HN 0.613 nan 8.290 nan 0.000 0.442 327 F N 1.045 120.997 119.950 0.004 0.000 2.645 327 F HA 0.835 5.362 4.527 -0.000 0.000 0.310 327 F C -1.026 174.821 175.800 0.079 0.000 1.102 327 F CA -0.924 57.068 58.000 -0.013 0.000 0.952 327 F CB 0.847 39.797 39.000 -0.083 0.000 1.326 327 F HN 0.520 nan 8.300 nan 0.000 0.456 328 S N 0.503 116.342 115.700 0.233 0.000 2.690 328 S HA 0.847 5.317 4.470 -0.000 0.000 0.291 328 S C -0.603 174.189 174.600 0.320 0.000 1.138 328 S CA -0.283 58.044 58.200 0.211 0.000 1.013 328 S CB 1.420 64.701 63.200 0.135 0.000 1.053 328 S HN 1.205 nan 8.310 nan 0.000 0.539 329 S N -0.377 115.506 115.700 0.305 0.000 2.538 329 S HA 0.923 5.393 4.470 -0.000 0.000 0.288 329 S C -0.292 174.431 174.600 0.206 0.000 1.108 329 S CA -0.452 57.916 58.200 0.281 0.000 0.971 329 S CB 1.317 64.733 63.200 0.360 0.000 1.041 329 S HN 1.574 nan 8.310 nan 0.000 0.483 330 G N 0.493 109.393 108.800 0.166 0.000 2.576 330 G HA2 0.474 4.434 3.960 -0.000 0.000 0.290 330 G HA3 0.474 4.434 3.960 -0.000 0.000 0.290 330 G C 0.122 175.110 174.900 0.146 0.000 1.442 330 G CA -0.290 44.900 45.100 0.149 0.000 0.792 330 G HN 0.550 nan 8.290 nan 0.000 0.491 331 T N 0.944 115.603 114.554 0.176 0.000 2.788 331 T HA -0.034 4.316 4.350 -0.000 0.000 0.268 331 T C 2.689 177.520 174.700 0.218 0.000 1.044 331 T CA 2.443 64.676 62.100 0.221 0.000 1.139 331 T CB -0.249 68.799 68.868 0.299 0.000 0.867 331 T HN 0.843 nan 8.240 nan 0.000 0.454 332 A N 0.630 123.531 122.820 0.136 0.000 1.969 332 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 332 A C 2.591 180.200 177.584 0.042 0.000 1.169 332 A CA 1.561 53.612 52.037 0.023 0.000 0.635 332 A CB -0.776 17.991 19.000 -0.388 0.000 0.810 332 A HN 0.785 nan 8.150 nan 0.000 0.445 333 C N -4.244 115.091 119.300 0.058 0.000 3.188 333 C HA 0.473 4.933 4.460 -0.000 0.000 0.315 333 C C 1.824 176.890 174.990 0.126 0.000 1.285 333 C CA 0.359 59.430 59.018 0.088 0.000 1.729 333 C CB -0.157 27.628 27.740 0.075 0.000 2.257 333 C HN 1.474 nan 8.230 nan 0.000 0.645 334 V N 0.654 120.639 119.914 0.119 0.000 0.572 334 V HA -0.243 3.877 4.120 -0.000 0.000 0.092 334 V C 0.264 176.428 176.094 0.117 0.000 1.935 334 V CA 2.589 64.950 62.300 0.102 0.000 3.442 334 V CB -1.565 30.292 31.823 0.057 0.000 0.733 334 V HN 0.841 nan 8.190 nan 0.000 0.760 335 V N -0.049 119.944 119.914 0.132 0.000 2.888 335 V HA 0.724 4.844 4.120 -0.000 0.000 0.309 335 V C -0.546 175.596 176.094 0.081 0.000 1.114 335 V CA 0.064 62.425 62.300 0.102 0.000 0.940 335 V CB 1.553 33.347 31.823 -0.049 0.000 1.021 335 V HN 1.025 nan 8.190 nan 0.000 0.426 336 C N 7.887 127.216 119.300 0.049 0.000 2.547 336 C HA 0.628 5.088 4.460 -0.000 0.000 0.327 336 C C -2.792 172.159 174.990 -0.065 0.000 1.076 336 C CA -1.855 57.152 59.018 -0.018 0.000 1.390 336 C CB 1.210 28.983 27.740 0.056 0.000 1.918 336 C HN 0.728 nan 8.230 nan 0.000 0.438 337 P HA 0.195 nan 4.420 nan 0.000 0.268 337 P C -0.841 176.420 177.300 -0.064 0.000 1.205 337 P CA 0.132 63.113 63.100 -0.198 0.000 0.771 337 P CB 0.609 32.069 31.700 -0.400 0.000 0.858 338 V N 2.465 122.366 119.914 -0.021 0.000 2.417 338 V HA 0.208 4.328 4.120 -0.000 0.000 0.291 338 V C 1.184 177.243 176.094 -0.058 0.000 1.024 338 V CA 0.183 62.467 62.300 -0.026 0.000 0.861 338 V CB 1.289 33.098 31.823 -0.024 0.000 0.985 338 V HN 0.696 nan 8.190 nan 0.000 0.436 339 S N 1.739 117.408 115.700 -0.053 0.000 2.497 339 S HA 0.276 4.746 4.470 -0.000 0.000 0.221 339 S C 0.238 174.756 174.600 -0.137 0.000 1.037 339 S CA -0.126 58.011 58.200 -0.105 0.000 0.920 339 S CB 0.384 63.593 63.200 0.013 0.000 0.800 339 S HN 0.714 nan 8.310 nan 0.000 0.505 340 D N 0.309 120.691 120.400 -0.031 0.000 2.753 340 D HA 0.475 5.115 4.640 -0.000 0.000 0.224 340 D C -1.504 174.806 176.300 0.016 0.000 1.213 340 D CA -0.384 53.627 54.000 0.020 0.000 0.833 340 D CB 2.204 43.065 40.800 0.101 0.000 1.607 340 D HN 0.178 nan 8.370 nan 0.000 0.463 341 I N 1.655 122.235 120.570 0.017 0.000 2.447 341 I HA 0.258 4.428 4.170 -0.000 0.000 0.287 341 I C -0.397 175.743 176.117 0.038 0.000 1.023 341 I CA -0.670 60.633 61.300 0.005 0.000 1.083 341 I CB 1.967 39.934 38.000 -0.054 0.000 1.245 341 I HN 0.089 nan 8.210 nan 0.000 0.434 342 L N 7.039 128.292 121.223 0.050 0.000 2.255 342 L HA 0.432 4.772 4.340 -0.000 0.000 0.289 342 L C -1.096 175.700 176.870 -0.125 0.000 1.046 342 L CA -0.542 54.317 54.840 0.031 0.000 0.816 342 L CB 0.515 42.689 42.059 0.191 0.000 1.197 342 L HN 0.572 nan 8.230 nan 0.000 0.427 343 Y N 3.955 124.107 120.300 -0.246 0.000 2.396 343 Y HA 0.202 4.752 4.550 -0.000 0.000 0.332 343 Y C 0.064 175.827 175.900 -0.228 0.000 1.034 343 Y CA -0.988 56.931 58.100 -0.301 0.000 1.057 343 Y CB 1.221 39.549 38.460 -0.221 0.000 1.220 343 Y HN 0.559 nan 8.280 nan 0.000 0.440 344 K N 4.671 124.664 120.400 -0.678 0.000 3.077 344 K HA -0.257 4.063 4.320 -0.000 0.000 0.264 344 K C 0.887 177.332 176.600 -0.259 0.000 1.008 344 K CA 1.102 57.068 56.287 -0.534 0.000 0.740 344 K CB -1.656 30.427 32.500 -0.695 0.000 1.273 344 K HN 1.360 nan 8.250 nan 0.000 0.477 345 G N -0.369 108.327 108.800 -0.173 0.000 2.212 345 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.266 345 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.266 345 G C -0.057 174.829 174.900 -0.023 0.000 0.978 345 G CA 0.861 45.926 45.100 -0.057 0.000 0.632 345 G HN 0.550 nan 8.290 nan 0.000 0.537 346 E N 0.394 120.570 120.200 -0.039 0.000 2.283 346 E HA 0.558 4.908 4.350 -0.000 0.000 0.271 346 E C -0.445 176.179 176.600 0.041 0.000 1.031 346 E CA -0.228 56.178 56.400 0.009 0.000 0.868 346 E CB 1.019 30.730 29.700 0.020 0.000 1.094 346 E HN 0.066 nan 8.360 nan 0.000 0.401 347 T N 2.439 117.027 114.554 0.056 0.000 2.801 347 T HA 0.364 4.714 4.350 -0.000 0.000 0.306 347 T C -0.113 174.637 174.700 0.084 0.000 1.020 347 T CA -0.473 61.672 62.100 0.077 0.000 0.948 347 T CB -0.073 68.843 68.868 0.080 0.000 0.962 347 T HN 0.263 nan 8.240 nan 0.000 0.465 348 I N 3.701 124.320 120.570 0.083 0.000 2.297 348 I HA 0.235 4.405 4.170 -0.000 0.000 0.291 348 I C 0.370 176.543 176.117 0.093 0.000 1.033 348 I CA -0.753 60.595 61.300 0.079 0.000 1.253 348 I CB 0.487 38.515 38.000 0.047 0.000 1.396 348 I HN 0.590 nan 8.210 nan 0.000 0.476 349 H N 7.445 126.530 119.070 0.025 0.000 2.610 349 H HA 0.416 4.972 4.556 -0.000 0.000 0.336 349 H C -0.687 174.654 175.328 0.022 0.000 1.087 349 H CA -0.229 55.834 56.048 0.024 0.000 1.405 349 H CB 0.747 30.525 29.762 0.026 0.000 1.460 349 H HN 0.319 nan 8.280 nan 0.000 0.538 350 I N 7.888 128.121 120.570 -0.561 0.000 2.362 350 I HA 0.189 4.359 4.170 -0.000 0.000 0.289 350 I C -2.028 173.774 176.117 -0.526 0.000 0.994 350 I CA -2.700 58.379 61.300 -0.369 0.000 1.158 350 I CB 1.593 39.471 38.000 -0.202 0.000 1.315 350 I HN 0.656 nan 8.210 nan 0.000 0.451 351 P HA 0.059 nan 4.420 nan 0.000 0.259 351 P C 1.001 178.297 177.300 -0.007 0.000 1.480 351 P CA 0.191 63.264 63.100 -0.045 0.000 0.842 351 P CB -0.067 31.665 31.700 0.054 0.000 1.513 352 T N 0.317 114.842 114.554 -0.048 0.000 2.624 352 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 352 T C 1.758 176.477 174.700 0.032 0.000 1.041 352 T CA 1.521 63.626 62.100 0.008 0.000 1.159 352 T CB -0.375 68.484 68.868 -0.014 0.000 0.863 352 T HN 0.085 nan 8.240 nan 0.000 0.434 353 M N 0.745 120.366 119.600 0.035 0.000 2.419 353 M HA 0.099 4.579 4.480 -0.000 0.000 0.264 353 M C 1.798 178.147 176.300 0.083 0.000 1.082 353 M CA 1.076 56.416 55.300 0.067 0.000 1.119 353 M CB -1.022 31.627 32.600 0.082 0.000 1.398 353 M HN 0.202 nan 8.290 nan 0.000 0.453 354 E N 0.321 120.576 120.200 0.092 0.000 2.481 354 E HA 0.022 4.372 4.350 -0.000 0.000 0.195 354 E C 0.647 177.289 176.600 0.070 0.000 1.047 354 E CA 0.336 56.788 56.400 0.087 0.000 0.867 354 E CB -0.017 29.747 29.700 0.108 0.000 0.858 354 E HN 0.361 nan 8.360 nan 0.000 0.513 355 N N -0.192 118.550 118.700 0.070 0.000 2.389 355 N HA 0.190 4.930 4.740 -0.000 0.000 0.260 355 N C 0.443 176.001 175.510 0.080 0.000 1.191 355 N CA 0.641 53.734 53.050 0.072 0.000 0.885 355 N CB 1.424 39.957 38.487 0.076 0.000 1.162 355 N HN 0.223 nan 8.380 nan 0.000 0.512 356 G N 1.548 110.393 108.800 0.075 0.000 2.992 356 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.229 356 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.229 356 G C -2.389 172.572 174.900 0.101 0.000 1.969 356 G CA -0.632 44.515 45.100 0.078 0.000 1.603 356 G HN 0.274 nan 8.290 nan 0.000 0.573 357 P HA 0.306 nan 4.420 nan 0.000 0.280 357 P C 0.568 177.908 177.300 0.066 0.000 1.300 357 P CA 0.049 63.190 63.100 0.069 0.000 0.785 357 P CB 1.218 32.909 31.700 -0.015 0.000 0.874 358 K N 2.531 122.972 120.400 0.068 0.000 2.057 358 K HA -0.112 4.208 4.320 -0.000 0.000 0.206 358 K C 1.679 178.266 176.600 -0.021 0.000 1.050 358 K CA 0.647 56.957 56.287 0.038 0.000 0.935 358 K CB -0.652 31.877 32.500 0.049 0.000 0.715 358 K HN 0.208 nan 8.250 nan 0.000 0.439 359 L N 1.870 123.057 121.223 -0.061 0.000 2.027 359 L HA -0.031 4.309 4.340 -0.000 0.000 0.206 359 L C 2.529 179.244 176.870 -0.259 0.000 1.074 359 L CA 1.828 56.552 54.840 -0.192 0.000 0.745 359 L CB -0.722 41.052 42.059 -0.476 0.000 0.898 359 L HN 0.263 nan 8.230 nan 0.000 0.433 360 A N -0.816 121.766 122.820 -0.396 0.000 1.908 360 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 360 A C 2.495 180.015 177.584 -0.107 0.000 1.181 360 A CA 2.399 54.069 52.037 -0.610 0.000 0.627 360 A CB -1.184 17.399 19.000 -0.694 0.000 0.818 360 A HN 0.668 nan 8.150 nan 0.000 0.445 361 S N -0.614 115.145 115.700 0.098 0.000 2.406 361 S HA -0.140 4.330 4.470 -0.000 0.000 0.228 361 S C 2.035 176.653 174.600 0.030 0.000 1.020 361 S CA 1.048 59.348 58.200 0.167 0.000 0.965 361 S CB -0.434 62.855 63.200 0.149 0.000 0.798 361 S HN 0.620 nan 8.310 nan 0.000 0.488 362 R N 1.042 121.535 120.500 -0.011 0.000 2.081 362 R HA 0.015 4.355 4.340 -0.000 0.000 0.235 362 R C 2.204 178.551 176.300 0.078 0.000 1.131 362 R CA 1.773 57.859 56.100 -0.023 0.000 0.960 362 R CB -0.483 29.745 30.300 -0.119 0.000 0.856 362 R HN 0.521 nan 8.270 nan 0.000 0.436 363 I N 0.692 121.316 120.570 0.090 0.000 2.202 363 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 363 I C 2.355 178.516 176.117 0.074 0.000 1.091 363 I CA 0.710 62.084 61.300 0.122 0.000 1.368 363 I CB -0.306 37.669 38.000 -0.042 0.000 1.058 363 I HN 0.246 nan 8.210 nan 0.000 0.410 364 L N 0.427 121.678 121.223 0.046 0.000 1.989 364 L HA -0.236 4.104 4.340 -0.000 0.000 0.211 364 L C 2.601 179.485 176.870 0.023 0.000 1.071 364 L CA 2.003 56.875 54.840 0.053 0.000 0.749 364 L CB -0.663 41.453 42.059 0.095 0.000 0.890 364 L HN 0.092 nan 8.230 nan 0.000 0.431 365 S N -0.584 115.124 115.700 0.012 0.000 2.359 365 S HA -0.254 4.216 4.470 -0.000 0.000 0.224 365 S C 1.942 176.568 174.600 0.043 0.000 1.035 365 S CA 1.685 59.887 58.200 0.004 0.000 1.018 365 S CB -0.367 62.825 63.200 -0.013 0.000 0.876 365 S HN 0.434 nan 8.310 nan 0.000 0.448 366 K N 1.379 121.836 120.400 0.095 0.000 2.009 366 K HA -0.014 4.306 4.320 -0.000 0.000 0.210 366 K C 1.916 178.597 176.600 0.136 0.000 1.049 366 K CA 1.315 57.693 56.287 0.152 0.000 0.929 366 K CB -0.483 32.193 32.500 0.294 0.000 0.714 366 K HN 0.272 nan 8.250 nan 0.000 0.440 367 L N 0.039 121.332 121.223 0.115 0.000 2.056 367 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 367 L C 2.374 179.193 176.870 -0.085 0.000 1.078 367 L CA 1.677 56.544 54.840 0.044 0.000 0.749 367 L CB -0.776 41.266 42.059 -0.028 0.000 0.901 367 L HN 0.300 nan 8.230 nan 0.000 0.433 368 T N -0.714 113.818 114.554 -0.036 0.000 2.665 368 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 368 T C 1.454 176.209 174.700 0.091 0.000 1.035 368 T CA 1.740 63.859 62.100 0.032 0.000 1.151 368 T CB -0.298 68.599 68.868 0.048 0.000 0.862 368 T HN 0.312 nan 8.240 nan 0.000 0.438 369 D N 0.739 121.174 120.400 0.058 0.000 2.123 369 D HA -0.027 4.613 4.640 -0.000 0.000 0.196 369 D C 2.044 178.383 176.300 0.066 0.000 0.992 369 D CA 0.798 54.836 54.000 0.064 0.000 0.833 369 D CB -0.395 40.434 40.800 0.048 0.000 0.954 369 D HN 0.378 nan 8.370 nan 0.000 0.455 370 I N 0.566 121.177 120.570 0.067 0.000 2.202 370 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 370 I C 2.435 178.572 176.117 0.034 0.000 1.091 370 I CA 1.069 62.432 61.300 0.105 0.000 1.368 370 I CB -0.224 37.934 38.000 0.263 0.000 1.058 370 I HN -0.045 nan 8.210 nan 0.000 0.410 371 Q N -0.288 119.399 119.800 -0.188 0.000 2.124 371 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 371 Q C 1.339 176.995 176.000 -0.574 0.000 0.977 371 Q CA 1.661 57.070 55.803 -0.657 0.000 0.850 371 Q CB -0.092 27.686 28.738 -1.600 0.000 0.901 371 Q HN 0.557 nan 8.270 nan 0.000 0.429 372 Y N -0.934 119.245 120.300 -0.201 0.000 2.493 372 Y HA 0.236 4.785 4.550 -0.000 0.000 0.275 372 Y C 1.298 177.196 175.900 -0.003 0.000 1.183 372 Y CA 0.240 58.309 58.100 -0.053 0.000 1.258 372 Y CB 0.628 39.065 38.460 -0.038 0.000 1.108 372 Y HN 0.196 nan 8.280 nan 0.000 0.521 373 G N 0.493 109.346 108.800 0.088 0.000 2.166 373 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.260 373 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.260 373 G C 1.404 176.347 174.900 0.071 0.000 0.986 373 G CA 0.594 45.740 45.100 0.077 0.000 0.683 373 G HN 0.454 nan 8.290 nan 0.000 0.527 374 R N 0.515 121.061 120.500 0.077 0.000 2.152 374 R HA 0.049 4.389 4.340 -0.000 0.000 0.232 374 R C 1.212 177.533 176.300 0.035 0.000 1.117 374 R CA 1.660 57.791 56.100 0.052 0.000 0.981 374 R CB -0.025 30.302 30.300 0.045 0.000 0.870 374 R HN 0.838 nan 8.270 nan 0.000 0.451 375 E N 0.829 121.050 120.200 0.036 0.000 2.367 375 E HA 0.167 4.517 4.350 -0.000 0.000 0.273 375 E C -1.290 175.319 176.600 0.015 0.000 0.903 375 E CA -1.004 55.408 56.400 0.019 0.000 0.764 375 E CB 1.368 31.075 29.700 0.012 0.000 1.252 375 E HN 0.061 nan 8.360 nan 0.000 0.446 376 E N 1.729 121.927 120.200 -0.003 0.000 2.313 376 E HA 0.418 4.768 4.350 -0.000 0.000 0.276 376 E C -0.811 175.756 176.600 -0.056 0.000 1.031 376 E CA -0.684 55.708 56.400 -0.014 0.000 0.857 376 E CB 1.505 31.197 29.700 -0.014 0.000 1.040 376 E HN 0.323 nan 8.360 nan 0.000 0.408 377 S N 0.964 116.627 115.700 -0.062 0.000 2.537 377 S HA 0.046 4.516 4.470 -0.000 0.000 0.271 377 S C -0.146 174.397 174.600 -0.095 0.000 1.148 377 S CA -0.634 57.467 58.200 -0.165 0.000 0.868 377 S CB 1.269 64.307 63.200 -0.269 0.000 1.115 377 S HN 0.713 nan 8.310 nan 0.000 0.461 378 D N 1.631 121.949 120.400 -0.136 0.000 2.392 378 D HA -0.105 4.535 4.640 -0.000 0.000 0.228 378 D C 0.934 177.291 176.300 0.094 0.000 1.003 378 D CA 0.514 54.498 54.000 -0.026 0.000 0.917 378 D CB -0.050 40.733 40.800 -0.029 0.000 0.890 378 D HN 0.561 nan 8.370 nan 0.000 0.532 379 W N 2.195 123.426 121.300 -0.116 0.000 2.465 379 W HA 0.036 4.696 4.660 -0.000 0.000 0.268 379 W C 0.820 177.190 176.519 -0.249 0.000 1.242 379 W CA 0.553 57.739 57.345 -0.265 0.000 1.248 379 W CB -1.039 28.202 29.460 -0.366 0.000 1.118 379 W HN -0.023 nan 8.180 nan 0.000 0.587 380 T N -0.390 114.246 114.554 0.138 0.000 2.859 380 T HA 0.621 4.971 4.350 -0.000 0.000 0.281 380 T C -0.372 174.378 174.700 0.084 0.000 1.005 380 T CA -0.670 61.511 62.100 0.134 0.000 1.025 380 T CB 2.329 71.302 68.868 0.176 0.000 0.977 380 T HN -0.273 nan 8.240 nan 0.000 0.458 381 I N 2.880 123.499 120.570 0.083 0.000 2.389 381 I HA 0.310 4.480 4.170 -0.000 0.000 0.288 381 I C 0.124 176.280 176.117 0.065 0.000 0.999 381 I CA -1.321 60.013 61.300 0.058 0.000 1.129 381 I CB 1.501 39.524 38.000 0.039 0.000 1.288 381 I HN 0.517 nan 8.210 nan 0.000 0.444 382 V N 6.408 126.353 119.914 0.052 0.000 2.572 382 V HA 0.031 4.150 4.120 -0.000 0.000 0.291 382 V C 0.747 176.865 176.094 0.039 0.000 1.039 382 V CA -0.247 62.082 62.300 0.049 0.000 1.055 382 V CB 1.172 33.020 31.823 0.041 0.000 0.969 382 V HN 0.521 nan 8.190 nan 0.000 0.482 383 L N 0.000 121.246 121.223 0.039 0.000 2.949 383 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 383 L CA 0.000 54.857 54.840 0.029 0.000 0.813 383 L CB 0.000 42.075 42.059 0.027 0.000 0.961 383 L HN 0.000 nan 8.230 nan 0.000 0.502