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 2wam_1_A DATA FIRST_RESID 10 DATA SEQUENCE AREYEPGQPG MYELEFPAPQ LSSSDGRGPV LVHALEGFSD AGHAIRLAAA DATA SEQUENCE HLKAALDTEL VASFAIDELL DYRSRRPLMT FKTDHFTHSD DPELSLYALR DATA SEQUENCE DSIGTPFLLL AGLEPDLKWE RFITAVRLLA ERLGVRQTIG LGTVPMAVPH DATA SEQUENCE TRPITMTAHS NNRELISDFQ PSISEIQVPG SASNLLEYRM AQHGHEVVGF DATA SEQUENCE TVHVPHYLTQ TDYPAAAQAL LEQVAKTGSL QLPLAVLAEA AAEVQAKIDE DATA SEQUENCE QVQASAEVAQ VVAALERQYD AFIDAQENRS LXXXXXXXXX XXXXGAEFER DATA SEQUENCE FLAQQAE 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.597 177.584 0.022 0.000 1.274 10 A CA 0.000 52.046 52.037 0.016 0.000 0.836 10 A CB 0.000 19.007 19.000 0.012 0.000 0.831 11 R N 1.861 122.377 120.500 0.028 0.000 2.340 11 R HA 0.584 4.924 4.340 -0.000 0.000 0.300 11 R C -0.103 176.227 176.300 0.052 0.000 1.069 11 R CA 0.184 56.303 56.100 0.031 0.000 0.984 11 R CB -0.685 29.630 30.300 0.025 0.000 1.003 11 R HN 0.629 nan 8.270 nan 0.000 0.459 12 E N 0.921 121.147 120.200 0.043 0.000 2.414 12 E HA 0.064 4.413 4.350 -0.000 0.000 0.263 12 E C -1.104 175.549 176.600 0.088 0.000 1.000 12 E CA 0.404 56.842 56.400 0.063 0.000 0.914 12 E CB 0.612 30.337 29.700 0.042 0.000 0.948 12 E HN 0.670 nan 8.360 nan 0.000 0.444 13 Y N 2.382 122.669 120.300 -0.021 0.000 2.338 13 Y HA 0.177 4.727 4.550 -0.000 0.000 0.328 13 Y C -0.384 175.494 175.900 -0.037 0.000 0.965 13 Y CA -0.989 57.093 58.100 -0.031 0.000 1.208 13 Y CB 1.152 39.588 38.460 -0.040 0.000 1.132 13 Y HN 0.452 nan 8.280 nan 0.000 0.469 14 E N 7.793 128.010 120.200 0.028 0.000 2.316 14 E HA 0.287 4.637 4.350 -0.000 0.000 0.275 14 E C -2.482 174.200 176.600 0.136 0.000 1.029 14 E CA -2.082 54.356 56.400 0.063 0.000 0.871 14 E CB 0.763 30.454 29.700 -0.014 0.000 1.022 14 E HN 0.339 nan 8.360 nan 0.000 0.418 15 P HA 0.439 nan 4.420 nan 0.000 0.274 15 P C -0.197 177.114 177.300 0.019 0.000 1.237 15 P CA -0.263 62.875 63.100 0.064 0.000 0.793 15 P CB 1.426 33.070 31.700 -0.093 0.000 0.977 16 G N 0.148 108.920 108.800 -0.047 0.000 2.455 16 G HA2 0.188 4.148 3.960 -0.000 0.000 0.223 16 G HA3 0.188 4.148 3.960 -0.000 0.000 0.223 16 G C -1.916 172.720 174.900 -0.440 0.000 1.226 16 G CA -0.534 44.411 45.100 -0.259 0.000 0.948 16 G HN 0.669 nan 8.290 nan 0.000 0.478 17 Q N 1.048 120.333 119.800 -0.859 0.000 2.357 17 Q HA 0.569 4.909 4.340 -0.000 0.000 0.266 17 Q C -2.634 173.179 176.000 -0.311 0.000 1.021 17 Q CA -1.906 53.572 55.803 -0.542 0.000 0.784 17 Q CB 2.212 30.576 28.738 -0.624 0.000 1.243 17 Q HN 0.245 nan 8.270 nan 0.000 0.465 18 P HA 0.040 nan 4.420 nan 0.000 0.264 18 P C 0.378 177.654 177.300 -0.040 0.000 1.193 18 P CA 1.177 64.249 63.100 -0.047 0.000 0.763 18 P CB 0.641 32.356 31.700 0.025 0.000 0.810 19 G N 2.117 110.901 108.800 -0.027 0.000 2.162 19 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.260 19 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.260 19 G C 0.427 175.362 174.900 0.058 0.000 0.976 19 G CA 0.653 45.763 45.100 0.016 0.000 0.655 19 G HN 0.532 nan 8.290 nan 0.000 0.533 20 M N -1.639 117.979 119.600 0.031 0.000 2.274 20 M HA 0.473 4.953 4.480 -0.000 0.000 0.214 20 M C -0.129 176.300 176.300 0.217 0.000 1.526 20 M CA 1.045 56.450 55.300 0.175 0.000 1.043 20 M CB 0.747 33.473 32.600 0.211 0.000 1.505 20 M HN 0.847 nan 8.290 nan 0.000 0.561 21 Y N -1.540 118.710 120.300 -0.082 0.000 2.565 21 Y HA 0.668 5.218 4.550 -0.000 0.000 0.330 21 Y C -1.580 174.200 175.900 -0.200 0.000 1.150 21 Y CA -1.551 56.373 58.100 -0.294 0.000 1.055 21 Y CB 0.246 38.226 38.460 -0.799 0.000 1.337 21 Y HN 0.056 nan 8.280 nan 0.000 0.457 22 E N 3.633 123.824 120.200 -0.015 0.000 2.175 22 E HA 0.441 4.791 4.350 -0.000 0.000 0.278 22 E C -0.962 175.690 176.600 0.086 0.000 0.969 22 E CA -0.920 55.478 56.400 -0.003 0.000 0.796 22 E CB 2.170 31.847 29.700 -0.037 0.000 1.104 22 E HN 0.648 nan 8.360 nan 0.000 0.395 23 L N 2.450 123.749 121.223 0.127 0.000 2.397 23 L HA 0.115 4.454 4.340 -0.000 0.000 0.271 23 L C 0.520 177.448 176.870 0.096 0.000 1.148 23 L CA -0.133 54.779 54.840 0.121 0.000 0.825 23 L CB 0.524 42.689 42.059 0.177 0.000 1.117 23 L HN 0.519 nan 8.230 nan 0.000 0.456 24 E N 3.132 123.372 120.200 0.066 0.000 1.932 24 E HA 0.114 4.464 4.350 -0.000 0.000 0.259 24 E C -0.986 175.677 176.600 0.105 0.000 1.099 24 E CA -0.245 56.195 56.400 0.067 0.000 0.970 24 E CB -0.021 29.689 29.700 0.017 0.000 1.143 24 E HN 0.264 nan 8.360 nan 0.000 0.441 25 F N 4.869 124.821 119.950 0.004 0.000 2.394 25 F HA 0.536 5.062 4.527 -0.000 0.000 0.340 25 F C -1.882 173.922 175.800 0.006 0.000 1.105 25 F CA -1.972 56.032 58.000 0.007 0.000 1.124 25 F CB 0.632 39.641 39.000 0.016 0.000 1.145 25 F HN 0.301 nan 8.300 nan 0.000 0.505 26 P HA 0.454 nan 4.420 nan 0.000 0.282 26 P C -1.412 175.718 177.300 -0.284 0.000 1.259 26 P CA -0.623 61.946 63.100 -0.885 0.000 0.826 26 P CB 1.380 32.507 31.700 -0.956 0.000 1.064 27 A N 2.747 125.484 122.820 -0.139 0.000 2.386 27 A HA 0.503 4.823 4.320 -0.000 0.000 0.248 27 A C -1.878 175.656 177.584 -0.083 0.000 1.082 27 A CA -0.842 51.155 52.037 -0.067 0.000 0.789 27 A CB -1.415 17.574 19.000 -0.017 0.000 1.025 27 A HN 0.468 nan 8.150 nan 0.000 0.490 28 P HA 0.237 nan 4.420 nan 0.000 0.272 28 P C -0.457 176.820 177.300 -0.037 0.000 1.254 28 P CA -0.407 62.663 63.100 -0.051 0.000 0.795 28 P CB 0.274 31.950 31.700 -0.041 0.000 1.022 29 Q N 0.175 119.958 119.800 -0.029 0.000 2.311 29 Q HA 0.108 4.448 4.340 -0.000 0.000 0.272 29 Q C -0.291 175.707 176.000 -0.003 0.000 1.012 29 Q CA 0.905 56.700 55.803 -0.014 0.000 0.891 29 Q CB -0.189 28.543 28.738 -0.010 0.000 1.201 29 Q HN 0.377 nan 8.270 nan 0.000 0.391 30 L N 2.001 123.228 121.223 0.007 0.000 2.858 30 L HA 0.320 4.659 4.340 -0.000 0.000 0.251 30 L C 0.269 177.159 176.870 0.034 0.000 1.149 30 L CA -0.251 54.601 54.840 0.020 0.000 0.955 30 L CB 0.616 42.687 42.059 0.019 0.000 1.289 30 L HN 0.451 nan 8.230 nan 0.000 0.542 31 S N -0.446 115.270 115.700 0.027 0.000 2.554 31 S HA 0.434 4.904 4.470 -0.000 0.000 0.278 31 S C 0.420 175.040 174.600 0.033 0.000 1.242 31 S CA -0.395 57.824 58.200 0.031 0.000 1.051 31 S CB 1.197 64.411 63.200 0.023 0.000 0.986 31 S HN 0.135 nan 8.310 nan 0.000 0.502 32 S N 2.240 117.962 115.700 0.037 0.000 2.624 32 S HA 0.107 4.576 4.470 -0.000 0.000 0.263 32 S C 1.516 176.132 174.600 0.026 0.000 1.287 32 S CA -0.496 57.726 58.200 0.036 0.000 0.990 32 S CB 1.085 64.308 63.200 0.038 0.000 0.950 32 S HN 0.837 nan 8.310 nan 0.000 0.561 33 S N 1.043 116.757 115.700 0.024 0.000 2.461 33 S HA -0.172 4.298 4.470 -0.000 0.000 0.246 33 S C 1.212 175.822 174.600 0.016 0.000 1.007 33 S CA 1.760 59.971 58.200 0.018 0.000 0.976 33 S CB -0.515 62.695 63.200 0.017 0.000 0.763 33 S HN 0.801 nan 8.310 nan 0.000 0.508 34 D N -1.439 118.972 120.400 0.018 0.000 2.402 34 D HA 0.233 4.873 4.640 -0.000 0.000 0.216 34 D C 1.224 177.534 176.300 0.017 0.000 1.128 34 D CA 0.721 54.731 54.000 0.016 0.000 0.833 34 D CB -0.333 40.477 40.800 0.016 0.000 0.971 34 D HN 0.445 nan 8.370 nan 0.000 0.503 35 G N 1.285 110.096 108.800 0.018 0.000 2.179 35 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.260 35 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.260 35 G C 0.396 175.309 174.900 0.022 0.000 0.977 35 G CA 0.161 45.272 45.100 0.019 0.000 0.641 35 G HN 0.544 nan 8.290 nan 0.000 0.533 36 R N 0.832 121.347 120.500 0.025 0.000 2.641 36 R HA 0.487 4.826 4.340 -0.000 0.000 0.269 36 R C 1.274 177.596 176.300 0.036 0.000 1.074 36 R CA 0.516 56.634 56.100 0.029 0.000 1.133 36 R CB 0.149 30.466 30.300 0.029 0.000 1.029 36 R HN 0.310 nan 8.270 nan 0.000 0.488 37 G N 3.067 111.891 108.800 0.040 0.000 2.562 37 G HA2 0.344 4.304 3.960 -0.000 0.000 0.275 37 G HA3 0.344 4.304 3.960 -0.000 0.000 0.275 37 G C -2.461 172.476 174.900 0.061 0.000 1.196 37 G CA -1.243 43.886 45.100 0.047 0.000 0.908 37 G HN 0.431 nan 8.290 nan 0.000 0.524 38 P HA 0.230 nan 4.420 nan 0.000 0.275 38 P C -0.103 177.261 177.300 0.106 0.000 1.228 38 P CA -0.487 62.674 63.100 0.103 0.000 0.786 38 P CB 1.072 32.831 31.700 0.099 0.000 0.927 39 V N 3.417 123.412 119.914 0.135 0.000 2.649 39 V HA 0.120 4.240 4.120 -0.000 0.000 0.292 39 V C 0.422 176.620 176.094 0.173 0.000 1.055 39 V CA -0.086 62.287 62.300 0.121 0.000 1.023 39 V CB 0.852 32.717 31.823 0.070 0.000 0.992 39 V HN 0.381 nan 8.190 nan 0.000 0.480 40 L N 6.680 127.984 121.223 0.135 0.000 2.305 40 L HA 0.621 4.961 4.340 -0.000 0.000 0.284 40 L C -0.463 176.517 176.870 0.182 0.000 1.013 40 L CA 0.142 55.071 54.840 0.149 0.000 0.819 40 L CB 1.598 43.703 42.059 0.077 0.000 1.227 40 L HN 0.401 nan 8.230 nan 0.000 0.417 41 V N 5.146 125.192 119.914 0.220 0.000 2.435 41 V HA 0.458 4.578 4.120 -0.000 0.000 0.290 41 V C -0.574 175.646 176.094 0.211 0.000 1.030 41 V CA -0.558 61.854 62.300 0.186 0.000 0.881 41 V CB 1.261 33.200 31.823 0.194 0.000 0.983 41 V HN 0.953 nan 8.190 nan 0.000 0.445 42 H N 2.080 121.189 119.070 0.065 0.000 2.489 42 H HA 0.878 5.434 4.556 -0.000 0.000 0.343 42 H C -0.443 174.922 175.328 0.063 0.000 1.086 42 H CA -0.802 55.275 56.048 0.049 0.000 1.198 42 H CB 1.720 31.481 29.762 -0.002 0.000 1.490 42 H HN 0.769 nan 8.280 nan 0.000 0.504 43 A N 5.084 127.973 122.820 0.115 0.000 2.522 43 A HA 0.476 4.796 4.320 -0.000 0.000 0.285 43 A C -1.251 176.388 177.584 0.091 0.000 1.198 43 A CA -0.683 51.399 52.037 0.075 0.000 0.742 43 A CB 0.200 19.248 19.000 0.080 0.000 1.176 43 A HN 0.683 nan 8.150 nan 0.000 0.444 44 L N 1.857 123.132 121.223 0.086 0.000 2.346 44 L HA 0.545 4.885 4.340 -0.000 0.000 0.276 44 L C -0.171 176.744 176.870 0.074 0.000 1.006 44 L CA -0.578 54.300 54.840 0.063 0.000 0.817 44 L CB 2.194 44.271 42.059 0.030 0.000 1.272 44 L HN 0.705 nan 8.230 nan 0.000 0.421 45 E N 1.132 121.366 120.200 0.057 0.000 2.204 45 E HA 0.631 4.981 4.350 -0.000 0.000 0.276 45 E C 0.523 177.165 176.600 0.070 0.000 0.974 45 E CA -0.193 56.248 56.400 0.068 0.000 0.815 45 E CB 1.963 31.692 29.700 0.048 0.000 1.119 45 E HN 0.833 nan 8.360 nan 0.000 0.393 46 G N 1.846 110.706 108.800 0.100 0.000 2.421 46 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.188 46 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.188 46 G C 0.220 175.238 174.900 0.197 0.000 1.001 46 G CA -0.050 45.117 45.100 0.113 0.000 0.693 46 G HN 0.591 nan 8.290 nan 0.000 0.479 47 F N 1.520 121.495 119.950 0.041 0.000 2.140 47 F HA 0.629 5.156 4.527 0.000 0.000 0.278 47 F C 1.184 177.009 175.800 0.041 0.000 1.121 47 F CA 1.173 59.204 58.000 0.052 0.000 1.139 47 F CB 0.544 39.569 39.000 0.041 0.000 1.062 47 F HN 0.269 nan 8.300 nan 0.000 0.501 48 S N 0.385 115.902 115.700 -0.305 0.000 2.733 48 S HA 0.284 4.753 4.470 -0.000 0.000 0.294 48 S C -1.368 173.166 174.600 -0.111 0.000 1.149 48 S CA -0.761 57.221 58.200 -0.364 0.000 1.034 48 S CB 0.979 63.790 63.200 -0.649 0.000 1.015 48 S HN 0.381 nan 8.310 nan 0.000 0.486 49 D N 3.615 123.988 120.400 -0.046 0.000 2.891 49 D HA 0.265 4.905 4.640 -0.000 0.000 0.332 49 D C 0.298 176.609 176.300 0.020 0.000 1.369 49 D CA -0.158 53.864 54.000 0.037 0.000 0.827 49 D CB 1.108 41.974 40.800 0.110 0.000 1.141 49 D HN 0.678 nan 8.370 nan 0.000 0.464 50 A N -0.109 122.677 122.820 -0.056 0.000 2.520 50 A HA 0.428 4.748 4.320 -0.000 0.000 0.245 50 A C 1.595 179.116 177.584 -0.106 0.000 1.072 50 A CA 0.942 52.911 52.037 -0.112 0.000 0.761 50 A CB 0.108 19.027 19.000 -0.135 0.000 1.004 50 A HN 0.487 nan 8.150 nan 0.000 0.499 51 G N 1.868 110.543 108.800 -0.209 0.000 2.168 51 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.263 51 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.263 51 G C 0.403 175.243 174.900 -0.099 0.000 0.977 51 G CA 0.993 46.004 45.100 -0.148 0.000 0.659 51 G HN 2.028 nan 8.290 nan 0.000 0.533 52 H N -2.072 117.011 119.070 0.021 0.000 2.781 52 H HA -0.265 4.291 4.556 -0.000 0.000 0.301 52 H C 2.148 177.492 175.328 0.028 0.000 1.124 52 H CA 0.783 56.845 56.048 0.023 0.000 1.154 52 H CB -1.384 28.393 29.762 0.026 0.000 1.355 52 H HN 1.204 nan 8.280 nan 0.000 0.385 53 A N 0.726 123.610 122.820 0.106 0.000 1.972 53 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 53 A C 2.318 179.943 177.584 0.069 0.000 1.169 53 A CA 1.621 53.700 52.037 0.071 0.000 0.635 53 A CB -0.134 18.896 19.000 0.049 0.000 0.810 53 A HN 0.454 nan 8.150 nan 0.000 0.446 54 I N -0.683 119.934 120.570 0.078 0.000 2.202 54 I HA -0.199 3.971 4.170 -0.000 0.000 0.242 54 I C 2.610 178.772 176.117 0.075 0.000 1.091 54 I CA 1.759 63.104 61.300 0.074 0.000 1.368 54 I CB -1.139 36.908 38.000 0.079 0.000 1.058 54 I HN 0.460 nan 8.210 nan 0.000 0.410 55 R N 1.508 122.056 120.500 0.080 0.000 2.083 55 R HA -0.165 4.175 4.340 -0.000 0.000 0.237 55 R C 2.453 178.793 176.300 0.066 0.000 1.137 55 R CA 1.445 57.584 56.100 0.065 0.000 0.951 55 R CB -0.259 30.068 30.300 0.044 0.000 0.851 55 R HN 0.284 nan 8.270 nan 0.000 0.434 56 L N 0.229 121.497 121.223 0.075 0.000 2.046 56 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 56 L C 2.759 179.674 176.870 0.074 0.000 1.077 56 L CA 1.401 56.281 54.840 0.066 0.000 0.747 56 L CB -0.574 41.517 42.059 0.053 0.000 0.896 56 L HN 0.364 nan 8.230 nan 0.000 0.432 57 A N -0.105 122.755 122.820 0.068 0.000 1.898 57 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 57 A C 2.524 180.170 177.584 0.103 0.000 1.181 57 A CA 1.576 53.661 52.037 0.081 0.000 0.620 57 A CB -0.650 18.384 19.000 0.057 0.000 0.819 57 A HN 0.389 nan 8.150 nan 0.000 0.442 58 A N -0.146 122.724 122.820 0.084 0.000 1.930 58 A HA 0.196 4.516 4.320 -0.000 0.000 0.217 58 A C 2.466 180.073 177.584 0.038 0.000 1.175 58 A CA 1.940 54.020 52.037 0.072 0.000 0.627 58 A CB -0.913 18.134 19.000 0.078 0.000 0.815 58 A HN 1.013 nan 8.150 nan 0.000 0.443 59 A N -1.107 121.742 122.820 0.049 0.000 1.930 59 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 59 A C 2.008 179.609 177.584 0.030 0.000 1.175 59 A CA 2.025 54.077 52.037 0.025 0.000 0.627 59 A CB -0.757 18.268 19.000 0.041 0.000 0.815 59 A HN 0.752 nan 8.150 nan 0.000 0.443 60 H N -0.044 119.021 119.070 -0.009 0.000 2.333 60 H HA 0.043 4.599 4.556 -0.000 0.000 0.302 60 H C 1.767 177.092 175.328 -0.005 0.000 1.075 60 H CA 1.798 57.841 56.048 -0.008 0.000 1.348 60 H CB -0.285 29.474 29.762 -0.004 0.000 1.393 60 H HN 0.334 nan 8.280 nan 0.000 0.509 61 L N 0.294 121.494 121.223 -0.039 0.000 1.990 61 L HA -0.250 4.090 4.340 -0.000 0.000 0.213 61 L C 2.434 179.217 176.870 -0.145 0.000 1.072 61 L CA 2.056 56.861 54.840 -0.057 0.000 0.755 61 L CB -0.438 41.676 42.059 0.092 0.000 0.889 61 L HN 0.302 nan 8.230 nan 0.000 0.432 62 K N -0.192 120.110 120.400 -0.163 0.000 2.147 62 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 62 K C 2.086 178.569 176.600 -0.196 0.000 1.049 62 K CA 1.304 57.447 56.287 -0.241 0.000 0.936 62 K CB -0.232 32.071 32.500 -0.329 0.000 0.722 62 K HN 0.335 nan 8.250 nan 0.000 0.446 63 A N 0.733 123.445 122.820 -0.181 0.000 1.975 63 A HA 0.154 4.474 4.320 -0.000 0.000 0.215 63 A C 2.145 179.622 177.584 -0.179 0.000 1.170 63 A CA 1.176 53.123 52.037 -0.152 0.000 0.656 63 A CB -0.149 18.788 19.000 -0.105 0.000 0.821 63 A HN 0.270 nan 8.150 nan 0.000 0.449 64 A N -1.195 121.454 122.820 -0.286 0.000 2.115 64 A HA 0.576 4.895 4.320 -0.000 0.000 0.211 64 A C 0.712 178.210 177.584 -0.143 0.000 1.169 64 A CA 0.158 52.037 52.037 -0.263 0.000 0.787 64 A CB -0.004 18.687 19.000 -0.515 0.000 0.858 64 A HN 0.365 nan 8.150 nan 0.000 0.474 65 L N -0.047 121.100 121.223 -0.127 0.000 2.323 65 L HA 0.381 4.721 4.340 -0.000 0.000 0.265 65 L C -1.145 175.672 176.870 -0.087 0.000 1.012 65 L CA -1.217 53.581 54.840 -0.071 0.000 0.820 65 L CB 1.500 43.546 42.059 -0.021 0.000 1.334 65 L HN -0.037 nan 8.230 nan 0.000 0.427 66 D N 1.236 121.596 120.400 -0.066 0.000 2.472 66 D HA 0.146 4.786 4.640 -0.000 0.000 0.248 66 D C -0.440 175.800 176.300 -0.099 0.000 1.174 66 D CA 0.704 54.663 54.000 -0.068 0.000 0.883 66 D CB 0.818 41.590 40.800 -0.047 0.000 1.149 66 D HN 0.369 nan 8.370 nan 0.000 0.488 67 T N 3.173 117.671 114.554 -0.093 0.000 2.841 67 T HA 0.365 4.715 4.350 -0.000 0.000 0.285 67 T C -0.094 174.596 174.700 -0.017 0.000 0.991 67 T CA -0.708 61.333 62.100 -0.100 0.000 0.966 67 T CB 1.605 70.363 68.868 -0.184 0.000 0.962 67 T HN 0.184 nan 8.240 nan 0.000 0.438 68 E N 1.742 121.960 120.200 0.030 0.000 2.222 68 E HA 0.424 4.774 4.350 -0.000 0.000 0.267 68 E C -0.992 175.700 176.600 0.154 0.000 0.884 68 E CA -0.982 55.458 56.400 0.067 0.000 0.764 68 E CB 2.169 31.875 29.700 0.010 0.000 1.169 68 E HN 0.332 nan 8.360 nan 0.000 0.413 69 L N 3.890 125.195 121.223 0.136 0.000 2.410 69 L HA 0.049 4.389 4.340 -0.000 0.000 0.273 69 L C 0.153 177.002 176.870 -0.034 0.000 1.152 69 L CA 0.608 55.467 54.840 0.032 0.000 0.855 69 L CB 1.077 43.142 42.059 0.009 0.000 1.129 69 L HN 0.523 nan 8.230 nan 0.000 0.463 70 V N 4.114 123.968 119.914 -0.099 0.000 2.908 70 V HA 0.500 4.620 4.120 -0.000 0.000 0.240 70 V C 0.481 176.508 176.094 -0.112 0.000 1.117 70 V CA 0.698 62.950 62.300 -0.080 0.000 1.133 70 V CB 0.191 31.969 31.823 -0.074 0.000 0.857 70 V HN 0.880 nan 8.190 nan 0.000 0.478 71 A N -0.354 122.351 122.820 -0.193 0.000 2.459 71 A HA 0.693 5.013 4.320 -0.000 0.000 0.296 71 A C -0.602 176.821 177.584 -0.268 0.000 1.039 71 A CA -0.293 51.588 52.037 -0.261 0.000 0.698 71 A CB 1.561 20.248 19.000 -0.522 0.000 1.261 71 A HN 0.125 nan 8.150 nan 0.000 0.405 72 S N 1.855 117.445 115.700 -0.183 0.000 2.438 72 S HA 0.624 5.094 4.470 -0.000 0.000 0.293 72 S C -0.473 174.070 174.600 -0.095 0.000 1.141 72 S CA -0.170 57.979 58.200 -0.085 0.000 1.080 72 S CB -0.015 63.168 63.200 -0.028 0.000 0.978 72 S HN 0.432 nan 8.310 nan 0.000 0.479 73 F N 1.522 121.515 119.950 0.071 0.000 2.382 73 F HA 0.417 4.944 4.527 -0.001 0.000 0.331 73 F C 1.139 176.986 175.800 0.078 0.000 1.121 73 F CA -0.880 57.200 58.000 0.133 0.000 1.183 73 F CB 0.531 39.627 39.000 0.160 0.000 1.207 73 F HN 0.617 nan 8.300 nan 0.000 0.555 74 A N 3.279 126.255 122.820 0.260 0.000 3.026 74 A HA 0.149 4.469 4.320 -0.000 0.000 0.272 74 A C 1.484 179.140 177.584 0.121 0.000 1.782 74 A CA -0.122 52.002 52.037 0.145 0.000 1.451 74 A CB -1.276 17.791 19.000 0.113 0.000 1.081 74 A HN 0.762 nan 8.150 nan 0.000 0.611 75 I N 0.867 121.499 120.570 0.102 0.000 2.264 75 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 75 I C 1.706 177.847 176.117 0.039 0.000 1.111 75 I CA 1.891 63.211 61.300 0.034 0.000 1.382 75 I CB -0.279 37.731 38.000 0.017 0.000 1.060 75 I HN 0.640 nan 8.210 nan 0.000 0.418 76 D N 0.142 120.607 120.400 0.108 0.000 2.221 76 D HA -0.199 4.441 4.640 -0.000 0.000 0.204 76 D C 1.859 178.257 176.300 0.164 0.000 0.982 76 D CA 1.110 55.229 54.000 0.199 0.000 0.857 76 D CB 0.009 40.910 40.800 0.168 0.000 0.934 76 D HN 0.404 nan 8.370 nan 0.000 0.475 77 E N -0.767 119.493 120.200 0.099 0.000 2.442 77 E HA 0.065 4.415 4.350 -0.000 0.000 0.195 77 E C 1.405 178.041 176.600 0.061 0.000 1.030 77 E CA 0.222 56.671 56.400 0.082 0.000 0.869 77 E CB 0.538 30.283 29.700 0.075 0.000 0.857 77 E HN 0.444 nan 8.360 nan 0.000 0.505 78 L N 0.148 121.388 121.223 0.029 0.000 2.858 78 L HA 0.247 4.587 4.340 -0.000 0.000 0.251 78 L C 0.171 177.010 176.870 -0.052 0.000 1.149 78 L CA -0.226 54.609 54.840 -0.009 0.000 0.955 78 L CB 0.690 42.714 42.059 -0.058 0.000 1.289 78 L HN -0.024 nan 8.230 nan 0.000 0.542 79 L N -0.008 121.158 121.223 -0.095 0.000 2.329 79 L HA 0.480 4.820 4.340 -0.000 0.000 0.279 79 L C -0.550 176.213 176.870 -0.177 0.000 1.014 79 L CA -0.185 54.524 54.840 -0.219 0.000 0.814 79 L CB 1.442 43.216 42.059 -0.475 0.000 1.257 79 L HN -0.160 nan 8.230 nan 0.000 0.424 80 D N 2.967 123.290 120.400 -0.129 0.000 2.393 80 D HA 0.062 4.702 4.640 -0.000 0.000 0.232 80 D C 0.439 176.703 176.300 -0.060 0.000 1.192 80 D CA 0.183 54.159 54.000 -0.040 0.000 0.882 80 D CB 0.414 41.206 40.800 -0.014 0.000 1.038 80 D HN 0.551 nan 8.370 nan 0.000 0.499 81 Y N 2.471 122.769 120.300 -0.002 0.000 2.293 81 Y HA -0.047 4.503 4.550 -0.000 0.000 0.291 81 Y C 2.351 178.247 175.900 -0.006 0.000 1.137 81 Y CA 0.908 59.005 58.100 -0.007 0.000 1.202 81 Y CB 0.202 38.654 38.460 -0.013 0.000 0.990 81 Y HN 0.316 nan 8.280 nan 0.000 0.537 82 R N -1.052 119.533 120.500 0.142 0.000 2.236 82 R HA -0.035 4.305 4.340 -0.000 0.000 0.208 82 R C 2.082 178.410 176.300 0.046 0.000 1.036 82 R CA 1.013 57.160 56.100 0.079 0.000 1.001 82 R CB -0.064 30.271 30.300 0.059 0.000 0.896 82 R HN 0.148 nan 8.270 nan 0.000 0.464 83 S N 0.158 115.877 115.700 0.032 0.000 2.421 83 S HA 0.094 4.564 4.470 -0.000 0.000 0.224 83 S C 0.753 175.360 174.600 0.012 0.000 1.035 83 S CA 0.650 58.860 58.200 0.017 0.000 0.953 83 S CB 0.281 63.487 63.200 0.009 0.000 0.810 83 S HN 0.193 nan 8.310 nan 0.000 0.497 84 R N 1.931 122.430 120.500 -0.002 0.000 2.587 84 R HA 0.296 4.636 4.340 -0.000 0.000 0.283 84 R C -1.013 175.293 176.300 0.010 0.000 1.472 84 R CA -0.217 55.877 56.100 -0.010 0.000 1.578 84 R CB 0.806 31.079 30.300 -0.045 0.000 1.130 84 R HN 0.166 nan 8.270 nan 0.000 0.602 85 R N 1.736 122.262 120.500 0.043 0.000 2.522 85 R HA 0.101 4.441 4.340 -0.000 0.000 0.284 85 R C -2.092 174.243 176.300 0.059 0.000 1.032 85 R CA -1.443 54.701 56.100 0.073 0.000 1.049 85 R CB -0.035 30.298 30.300 0.054 0.000 0.956 85 R HN 0.108 nan 8.270 nan 0.000 0.422 86 P HA -0.015 nan 4.420 nan 0.000 0.267 86 P C -0.338 176.982 177.300 0.034 0.000 1.205 86 P CA 0.025 63.157 63.100 0.053 0.000 0.765 86 P CB 0.492 32.231 31.700 0.066 0.000 0.828 87 L N 3.908 125.156 121.223 0.042 0.000 2.462 87 L HA 0.154 4.494 4.340 -0.000 0.000 0.272 87 L C 0.566 177.483 176.870 0.078 0.000 1.166 87 L CA 0.485 55.365 54.840 0.067 0.000 0.880 87 L CB -0.080 42.026 42.059 0.079 0.000 1.142 87 L HN 0.306 nan 8.230 nan 0.000 0.473 88 M N 2.564 122.232 119.600 0.114 0.000 2.456 88 M HA 0.344 4.824 4.480 -0.000 0.000 0.324 88 M C -0.311 176.181 176.300 0.319 0.000 1.124 88 M CA -0.539 54.862 55.300 0.168 0.000 0.959 88 M CB 2.135 34.761 32.600 0.043 0.000 1.692 88 M HN 0.418 nan 8.290 nan 0.000 0.444 89 T N 2.419 117.180 114.554 0.345 0.000 2.806 89 T HA 0.467 4.817 4.350 -0.000 0.000 0.290 89 T C -1.171 173.715 174.700 0.309 0.000 0.966 89 T CA -0.123 62.147 62.100 0.283 0.000 1.060 89 T CB 0.414 69.398 68.868 0.194 0.000 0.927 89 T HN 0.386 nan 8.240 nan 0.000 0.485 90 F N 3.026 122.977 119.950 0.001 0.000 2.477 90 F HA 0.511 5.038 4.527 -0.000 0.000 0.335 90 F C -0.031 175.636 175.800 -0.222 0.000 1.130 90 F CA -0.954 56.894 58.000 -0.252 0.000 0.948 90 F CB 1.168 39.930 39.000 -0.397 0.000 1.154 90 F HN 0.323 nan 8.300 nan 0.000 0.439 91 K N 5.599 125.561 120.400 -0.730 0.000 2.464 91 K HA 0.396 4.716 4.320 -0.000 0.000 0.252 91 K C 0.376 176.649 176.600 -0.544 0.000 1.000 91 K CA 0.212 56.208 56.287 -0.486 0.000 0.951 91 K CB 0.865 33.110 32.500 -0.425 0.000 1.183 91 K HN 0.969 nan 8.250 nan 0.000 0.445 92 T N 1.589 115.999 114.554 -0.240 0.000 12.971 92 T HA -0.288 4.062 4.350 -0.000 0.000 0.419 92 T C 0.478 175.125 174.700 -0.088 0.000 1.442 92 T CA 2.152 64.197 62.100 -0.091 0.000 2.370 92 T CB -1.088 67.751 68.868 -0.048 0.000 2.822 92 T HN 0.890 nan 8.240 nan 0.000 0.691 93 D N 2.230 122.448 120.400 -0.304 0.000 2.602 93 D HA 0.195 4.835 4.640 -0.000 0.000 0.265 93 D C 0.012 176.148 176.300 -0.274 0.000 1.454 93 D CA 0.056 53.971 54.000 -0.142 0.000 0.795 93 D CB -0.227 40.593 40.800 0.034 0.000 1.140 93 D HN 0.955 nan 8.370 nan 0.000 0.486 94 H N -2.168 116.255 119.070 -1.078 0.000 3.024 94 H HA 0.370 4.926 4.556 -0.000 0.000 0.324 94 H C -1.708 173.141 175.328 -0.797 0.000 1.347 94 H CA -0.949 54.690 56.048 -0.681 0.000 1.182 94 H CB -0.186 29.423 29.762 -0.254 0.000 1.889 94 H HN -0.201 nan 8.280 nan 0.000 0.528 95 F N 1.350 121.189 119.950 -0.185 0.000 2.399 95 F HA 0.279 4.806 4.527 -0.000 0.000 0.342 95 F C 1.653 177.392 175.800 -0.101 0.000 1.106 95 F CA 0.691 58.639 58.000 -0.085 0.000 1.196 95 F CB 1.740 40.800 39.000 0.100 0.000 1.163 95 F HN 0.764 nan 8.300 nan 0.000 0.547 96 T N -2.090 112.532 114.554 0.112 0.000 3.004 96 T HA 0.221 4.571 4.350 -0.000 0.000 0.266 96 T C -0.414 174.407 174.700 0.201 0.000 0.986 96 T CA -0.097 62.051 62.100 0.080 0.000 0.902 96 T CB -0.355 68.484 68.868 -0.049 0.000 1.118 96 T HN 0.689 nan 8.240 nan 0.000 0.522 97 H N 0.993 120.125 119.070 0.102 0.000 3.114 97 H HA 0.512 5.068 4.556 -0.000 0.000 0.325 97 H C -1.725 173.648 175.328 0.074 0.000 1.206 97 H CA -0.370 55.722 56.048 0.073 0.000 1.316 97 H CB 1.433 31.227 29.762 0.055 0.000 1.981 97 H HN 0.186 nan 8.280 nan 0.000 0.527 98 S N 3.192 118.519 115.700 -0.622 0.000 2.519 98 S HA 0.257 4.727 4.470 -0.000 0.000 0.309 98 S C -0.795 173.426 174.600 -0.632 0.000 1.100 98 S CA -1.042 56.886 58.200 -0.455 0.000 1.059 98 S CB 1.615 64.675 63.200 -0.232 0.000 1.008 98 S HN 0.649 nan 8.310 nan 0.000 0.478 99 D N 2.506 122.749 120.400 -0.262 0.000 2.367 99 D HA 0.160 4.800 4.640 -0.000 0.000 0.255 99 D C -0.702 175.578 176.300 -0.033 0.000 1.300 99 D CA 0.116 54.087 54.000 -0.048 0.000 0.959 99 D CB -0.022 40.828 40.800 0.084 0.000 1.064 99 D HN 0.424 nan 8.370 nan 0.000 0.509 100 D N 4.415 124.793 120.400 -0.035 0.000 2.351 100 D HA 0.218 4.858 4.640 -0.000 0.000 0.251 100 D C -1.748 174.572 176.300 0.035 0.000 1.137 100 D CA -1.139 52.867 54.000 0.009 0.000 0.879 100 D CB 0.746 41.550 40.800 0.007 0.000 1.181 100 D HN 0.361 nan 8.370 nan 0.000 0.448 101 P HA 0.169 nan 4.420 nan 0.000 0.280 101 P C -0.533 176.789 177.300 0.037 0.000 1.244 101 P CA -0.365 62.745 63.100 0.018 0.000 0.784 101 P CB 0.975 32.655 31.700 -0.034 0.000 0.913 102 E N 1.949 122.177 120.200 0.046 0.000 2.244 102 E HA 0.666 5.016 4.350 -0.000 0.000 0.266 102 E C -1.509 175.128 176.600 0.061 0.000 0.914 102 E CA -1.165 55.278 56.400 0.073 0.000 0.794 102 E CB 1.576 31.345 29.700 0.115 0.000 1.210 102 E HN 0.182 nan 8.360 nan 0.000 0.414 103 L N 1.772 123.047 121.223 0.086 0.000 2.611 103 L HA 0.504 4.844 4.340 -0.000 0.000 0.263 103 L C -1.788 175.208 176.870 0.209 0.000 0.969 103 L CA -0.024 54.869 54.840 0.087 0.000 0.894 103 L CB 1.705 43.761 42.059 -0.006 0.000 1.229 103 L HN 0.675 nan 8.230 nan 0.000 0.416 104 S N 3.942 119.729 115.700 0.145 0.000 2.569 104 S HA 0.745 5.215 4.470 -0.000 0.000 0.280 104 S C -1.514 173.047 174.600 -0.066 0.000 1.111 104 S CA -0.543 57.653 58.200 -0.007 0.000 0.887 104 S CB 2.214 65.164 63.200 -0.416 0.000 1.095 104 S HN 0.561 nan 8.310 nan 0.000 0.476 105 L N 3.271 124.438 121.223 -0.094 0.000 2.280 105 L HA 0.574 4.914 4.340 -0.000 0.000 0.287 105 L C -1.784 174.920 176.870 -0.277 0.000 1.023 105 L CA -0.158 54.640 54.840 -0.072 0.000 0.819 105 L CB -0.170 41.920 42.059 0.051 0.000 1.212 105 L HN 0.633 nan 8.230 nan 0.000 0.420 106 Y N 3.345 123.658 120.300 0.022 0.000 2.419 106 Y HA 0.743 5.293 4.550 -0.000 0.000 0.328 106 Y C 0.466 176.310 175.900 -0.093 0.000 1.162 106 Y CA -0.698 57.381 58.100 -0.036 0.000 1.174 106 Y CB 1.714 40.145 38.460 -0.050 0.000 1.228 106 Y HN 0.696 nan 8.280 nan 0.000 0.473 107 A N 3.406 126.257 122.820 0.052 0.000 2.276 107 A HA 0.765 5.085 4.320 -0.000 0.000 0.316 107 A C -1.271 176.208 177.584 -0.174 0.000 1.229 107 A CA -0.404 51.585 52.037 -0.079 0.000 0.851 107 A CB 0.166 19.134 19.000 -0.054 0.000 1.165 107 A HN 0.649 nan 8.150 nan 0.000 0.513 108 L N 1.472 122.442 121.223 -0.422 0.000 2.256 108 L HA 0.718 5.058 4.340 -0.000 0.000 0.261 108 L C 0.272 176.895 176.870 -0.412 0.000 1.022 108 L CA -0.373 54.161 54.840 -0.510 0.000 0.828 108 L CB 1.759 43.308 42.059 -0.849 0.000 1.374 108 L HN 0.777 nan 8.230 nan 0.000 0.436 109 R N 0.011 120.401 120.500 -0.183 0.000 2.628 109 R HA 0.457 4.797 4.340 -0.000 0.000 0.288 109 R C -1.367 175.033 176.300 0.167 0.000 0.980 109 R CA -0.937 55.179 56.100 0.027 0.000 0.891 109 R CB 1.793 32.102 30.300 0.015 0.000 1.188 109 R HN 0.716 nan 8.270 nan 0.000 0.450 110 D N 0.833 121.414 120.400 0.303 0.000 2.414 110 D HA 0.030 4.670 4.640 -0.000 0.000 0.259 110 D C 0.345 176.710 176.300 0.107 0.000 1.269 110 D CA -0.511 53.629 54.000 0.233 0.000 1.028 110 D CB 0.429 41.326 40.800 0.162 0.000 1.093 110 D HN 0.260 nan 8.370 nan 0.000 0.545 111 S N -1.260 114.482 115.700 0.070 0.000 2.507 111 S HA -0.044 4.425 4.470 -0.000 0.000 0.235 111 S C 1.526 176.146 174.600 0.033 0.000 0.988 111 S CA 0.753 58.978 58.200 0.041 0.000 0.944 111 S CB -0.780 62.437 63.200 0.029 0.000 0.762 111 S HN 0.614 nan 8.310 nan 0.000 0.526 112 I N -3.368 117.225 120.570 0.038 0.000 4.009 112 I HA 0.540 4.710 4.170 -0.000 0.000 0.331 112 I C 1.023 177.162 176.117 0.036 0.000 1.462 112 I CA 0.103 61.421 61.300 0.030 0.000 1.117 112 I CB 0.063 38.077 38.000 0.023 0.000 1.091 112 I HN 0.195 nan 8.210 nan 0.000 0.410 113 G N 1.480 110.310 108.800 0.050 0.000 2.157 113 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.239 113 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.239 113 G C 0.213 175.153 174.900 0.066 0.000 0.982 113 G CA 0.227 45.356 45.100 0.049 0.000 0.650 113 G HN 0.440 nan 8.290 nan 0.000 0.527 114 T N 3.245 117.852 114.554 0.089 0.000 2.817 114 T HA 0.445 4.794 4.350 -0.000 0.000 0.295 114 T C -2.065 172.747 174.700 0.186 0.000 0.958 114 T CA -0.233 61.934 62.100 0.112 0.000 1.157 114 T CB 1.504 70.433 68.868 0.102 0.000 0.898 114 T HN 0.171 nan 8.240 nan 0.000 0.536 115 P HA 0.436 nan 4.420 nan 0.000 0.275 115 P C -0.720 176.732 177.300 0.255 0.000 1.227 115 P CA -0.441 62.733 63.100 0.122 0.000 0.781 115 P CB 0.347 32.080 31.700 0.055 0.000 0.906 116 F N 0.005 119.971 119.950 0.027 0.000 2.711 116 F HA 0.660 5.186 4.527 -0.000 0.000 0.313 116 F C -1.996 173.832 175.800 0.047 0.000 1.141 116 F CA -1.442 56.579 58.000 0.035 0.000 0.941 116 F CB 0.910 39.932 39.000 0.035 0.000 1.349 116 F HN -0.032 nan 8.300 nan 0.000 0.464 117 L N 2.395 123.718 121.223 0.167 0.000 2.331 117 L HA 0.685 5.025 4.340 -0.000 0.000 0.275 117 L C -1.288 175.683 176.870 0.168 0.000 1.022 117 L CA -1.198 53.685 54.840 0.071 0.000 0.812 117 L CB 1.884 43.987 42.059 0.074 0.000 1.257 117 L HN 0.691 nan 8.230 nan 0.000 0.435 118 L N 3.685 124.987 121.223 0.131 0.000 2.406 118 L HA 0.518 4.857 4.340 -0.000 0.000 0.272 118 L C -1.284 175.719 176.870 0.222 0.000 0.980 118 L CA -0.394 54.571 54.840 0.208 0.000 0.831 118 L CB 1.723 43.901 42.059 0.199 0.000 1.253 118 L HN 0.439 nan 8.230 nan 0.000 0.406 119 L N 5.686 127.023 121.223 0.191 0.000 2.265 119 L HA 0.937 5.277 4.340 -0.000 0.000 0.289 119 L C -0.507 176.470 176.870 0.179 0.000 1.033 119 L CA 0.274 55.209 54.840 0.159 0.000 0.814 119 L CB 0.814 42.928 42.059 0.093 0.000 1.203 119 L HN 0.840 nan 8.230 nan 0.000 0.423 120 A N 3.152 126.089 122.820 0.195 0.000 2.594 120 A HA 0.999 5.318 4.320 -0.000 0.000 0.291 120 A C -0.084 177.590 177.584 0.150 0.000 1.105 120 A CA 0.005 52.151 52.037 0.182 0.000 0.694 120 A CB 1.229 20.361 19.000 0.219 0.000 1.291 120 A HN 1.582 nan 8.150 nan 0.000 0.410 121 G N -1.075 107.788 108.800 0.106 0.000 2.280 121 G HA2 0.290 4.250 3.960 -0.000 0.000 0.277 121 G HA3 0.290 4.250 3.960 -0.000 0.000 0.277 121 G C -1.022 173.888 174.900 0.017 0.000 1.288 121 G CA -0.507 44.633 45.100 0.066 0.000 1.075 121 G HN 1.182 nan 8.290 nan 0.000 0.480 122 L N 1.172 122.382 121.223 -0.021 0.000 2.380 122 L HA 0.362 4.702 4.340 -0.000 0.000 0.273 122 L C 1.107 177.915 176.870 -0.104 0.000 1.138 122 L CA -0.354 54.457 54.840 -0.048 0.000 0.832 122 L CB 1.169 43.189 42.059 -0.066 0.000 1.124 122 L HN 0.762 nan 8.230 nan 0.000 0.454 123 E N 4.993 125.148 120.200 -0.075 0.000 2.480 123 E HA 0.074 4.424 4.350 -0.000 0.000 0.258 123 E C -2.186 174.342 176.600 -0.120 0.000 0.984 123 E CA -1.420 54.902 56.400 -0.130 0.000 0.930 123 E CB 0.711 30.386 29.700 -0.042 0.000 0.936 123 E HN 0.271 nan 8.360 nan 0.000 0.466 124 P HA 0.045 nan 4.420 nan 0.000 0.270 124 P C -0.735 176.685 177.300 0.200 0.000 1.223 124 P CA 0.075 63.111 63.100 -0.107 0.000 0.785 124 P CB 0.676 32.211 31.700 -0.276 0.000 0.923 125 D N -0.250 120.219 120.400 0.115 0.000 2.216 125 D HA 0.065 4.705 4.640 -0.000 0.000 0.208 125 D C 0.366 176.688 176.300 0.036 0.000 0.960 125 D CA 0.815 54.879 54.000 0.107 0.000 0.861 125 D CB -0.005 40.802 40.800 0.012 0.000 0.985 125 D HN 0.202 nan 8.370 nan 0.000 0.493 126 L N 0.134 121.391 121.223 0.057 0.000 2.352 126 L HA 0.401 4.741 4.340 -0.000 0.000 0.269 126 L C 0.121 177.071 176.870 0.133 0.000 1.034 126 L CA -1.070 53.784 54.840 0.024 0.000 0.806 126 L CB 1.077 43.150 42.059 0.023 0.000 1.244 126 L HN -0.113 nan 8.230 nan 0.000 0.447 127 K N 0.557 121.014 120.400 0.094 0.000 3.148 127 K HA -0.221 4.099 4.320 -0.000 0.000 0.267 127 K C 0.248 177.062 176.600 0.357 0.000 0.996 127 K CA 0.247 56.640 56.287 0.177 0.000 0.737 127 K CB -0.908 31.690 32.500 0.162 0.000 1.308 127 K HN 0.547 nan 8.250 nan 0.000 0.470 128 W N 0.951 122.302 121.300 0.084 0.000 2.342 128 W HA -0.137 4.523 4.660 -0.001 0.000 0.297 128 W C 1.978 178.588 176.519 0.151 0.000 1.213 128 W CA 1.054 58.484 57.345 0.142 0.000 1.251 128 W CB -0.255 29.255 29.460 0.083 0.000 1.136 128 W HN 0.273 nan 8.180 nan 0.000 0.526 129 E N -0.269 120.128 120.200 0.327 0.000 2.028 129 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 129 E C 2.109 178.807 176.600 0.163 0.000 0.988 129 E CA 1.085 57.606 56.400 0.203 0.000 0.799 129 E CB -0.706 29.083 29.700 0.149 0.000 0.755 129 E HN 0.302 nan 8.360 nan 0.000 0.447 130 R N 0.024 120.633 120.500 0.182 0.000 2.091 130 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 130 R C 2.380 178.806 176.300 0.210 0.000 1.136 130 R CA 1.461 57.663 56.100 0.170 0.000 0.959 130 R CB -0.467 29.934 30.300 0.168 0.000 0.856 130 R HN 0.172 nan 8.270 nan 0.000 0.437 131 F N 0.785 120.801 119.950 0.109 0.000 2.069 131 F HA -0.211 4.316 4.527 0.000 0.000 0.298 131 F C 1.914 177.712 175.800 -0.004 0.000 1.113 131 F CA 1.725 59.765 58.000 0.066 0.000 1.214 131 F CB -0.196 38.806 39.000 0.002 0.000 0.978 131 F HN -0.017 nan 8.300 nan 0.000 0.474 132 I N 0.092 120.501 120.570 -0.268 0.000 2.208 132 I HA -0.344 3.826 4.170 -0.000 0.000 0.245 132 I C 2.313 178.262 176.117 -0.280 0.000 1.097 132 I CA 1.868 62.929 61.300 -0.398 0.000 1.363 132 I CB -0.848 37.057 38.000 -0.157 0.000 1.051 132 I HN 0.221 nan 8.210 nan 0.000 0.413 133 T N 0.664 115.145 114.554 -0.121 0.000 2.684 133 T HA -0.222 4.128 4.350 -0.000 0.000 0.267 133 T C 2.062 176.712 174.700 -0.082 0.000 1.036 133 T CA 1.580 63.625 62.100 -0.092 0.000 1.148 133 T CB -0.399 68.461 68.868 -0.014 0.000 0.863 133 T HN 0.505 nan 8.240 nan 0.000 0.436 134 A N 0.868 123.684 122.820 -0.007 0.000 1.908 134 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 134 A C 2.597 180.149 177.584 -0.053 0.000 1.181 134 A CA 1.658 53.759 52.037 0.105 0.000 0.627 134 A CB -1.071 18.159 19.000 0.383 0.000 0.818 134 A HN 0.371 nan 8.150 nan 0.000 0.445 135 V N -0.024 119.748 119.914 -0.237 0.000 2.307 135 V HA -0.251 3.869 4.120 -0.000 0.000 0.245 135 V C 2.654 178.589 176.094 -0.266 0.000 1.045 135 V CA 2.280 64.399 62.300 -0.302 0.000 1.024 135 V CB -0.817 30.663 31.823 -0.572 0.000 0.651 135 V HN 0.712 nan 8.190 nan 0.000 0.449 136 R N -0.009 120.316 120.500 -0.290 0.000 2.105 136 R HA -0.178 4.162 4.340 -0.000 0.000 0.239 136 R C 2.312 178.482 176.300 -0.217 0.000 1.135 136 R CA 1.898 57.817 56.100 -0.303 0.000 0.967 136 R CB -0.338 29.769 30.300 -0.321 0.000 0.861 136 R HN 0.540 nan 8.270 nan 0.000 0.442 137 L N 0.439 121.575 121.223 -0.144 0.000 2.156 137 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 137 L C 2.015 178.847 176.870 -0.064 0.000 1.095 137 L CA 0.969 55.764 54.840 -0.075 0.000 0.770 137 L CB -0.051 41.997 42.059 -0.019 0.000 0.914 137 L HN 0.289 nan 8.230 nan 0.000 0.439 138 L N -0.353 120.807 121.223 -0.104 0.000 2.027 138 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 138 L C 2.845 179.661 176.870 -0.090 0.000 1.074 138 L CA 1.119 55.889 54.840 -0.118 0.000 0.745 138 L CB -0.732 41.200 42.059 -0.211 0.000 0.898 138 L HN 0.348 nan 8.230 nan 0.000 0.433 139 A N -0.064 122.685 122.820 -0.119 0.000 1.908 139 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 139 A C 2.106 179.660 177.584 -0.050 0.000 1.181 139 A CA 1.869 53.844 52.037 -0.104 0.000 0.627 139 A CB -0.432 18.453 19.000 -0.190 0.000 0.818 139 A HN 0.469 nan 8.150 nan 0.000 0.445 140 E N -0.817 119.358 120.200 -0.041 0.000 2.028 140 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 140 E C 2.305 178.922 176.600 0.028 0.000 0.988 140 E CA 0.823 57.249 56.400 0.043 0.000 0.799 140 E CB -0.173 29.566 29.700 0.065 0.000 0.755 140 E HN 0.267 nan 8.360 nan 0.000 0.447 141 R N 0.528 121.034 120.500 0.010 0.000 2.133 141 R HA -0.134 4.206 4.340 -0.000 0.000 0.247 141 R C 2.117 178.428 176.300 0.019 0.000 1.151 141 R CA 1.075 57.185 56.100 0.017 0.000 0.971 141 R CB -0.605 29.706 30.300 0.017 0.000 0.866 141 R HN 0.286 nan 8.270 nan 0.000 0.447 142 L N -0.816 120.412 121.223 0.009 0.000 2.592 142 L HA 0.190 4.530 4.340 -0.000 0.000 0.227 142 L C 1.006 177.889 176.870 0.023 0.000 1.127 142 L CA 0.475 55.322 54.840 0.012 0.000 0.884 142 L CB 0.120 42.178 42.059 -0.002 0.000 1.065 142 L HN 0.385 nan 8.230 nan 0.000 0.457 143 G N 0.161 108.979 108.800 0.031 0.000 2.141 143 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.242 143 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.242 143 G C 0.299 175.231 174.900 0.053 0.000 0.982 143 G CA -0.034 45.091 45.100 0.042 0.000 0.662 143 G HN 0.067 nan 8.290 nan 0.000 0.527 144 V N 1.261 121.206 119.914 0.051 0.000 2.644 144 V HA 0.127 4.247 4.120 -0.000 0.000 0.305 144 V C 1.843 177.990 176.094 0.088 0.000 1.053 144 V CA 1.610 63.945 62.300 0.058 0.000 1.186 144 V CB 0.883 32.719 31.823 0.022 0.000 0.895 144 V HN 0.713 nan 8.190 nan 0.000 0.490 145 R N 3.246 123.794 120.500 0.079 0.000 2.404 145 R HA 0.338 4.678 4.340 -0.000 0.000 0.237 145 R C 0.466 176.813 176.300 0.078 0.000 0.907 145 R CA -0.162 55.984 56.100 0.077 0.000 1.063 145 R CB 0.690 31.024 30.300 0.057 0.000 1.134 145 R HN 0.704 nan 8.270 nan 0.000 0.529 146 Q N 0.675 120.520 119.800 0.076 0.000 2.443 146 Q HA 0.208 4.548 4.340 -0.000 0.000 0.258 146 Q C -1.811 174.229 176.000 0.065 0.000 0.967 146 Q CA -0.405 55.438 55.803 0.066 0.000 0.951 146 Q CB 2.556 31.327 28.738 0.055 0.000 1.459 146 Q HN 0.136 nan 8.270 nan 0.000 0.415 147 T N 4.641 119.232 114.554 0.061 0.000 2.791 147 T HA 0.548 4.898 4.350 -0.000 0.000 0.288 147 T C -0.403 174.358 174.700 0.102 0.000 0.999 147 T CA -0.324 61.827 62.100 0.085 0.000 0.952 147 T CB 0.305 69.194 68.868 0.035 0.000 0.938 147 T HN 0.412 nan 8.240 nan 0.000 0.444 148 I N 2.767 123.403 120.570 0.110 0.000 2.355 148 I HA 0.518 4.688 4.170 -0.000 0.000 0.288 148 I C 0.872 176.889 176.117 -0.166 0.000 0.999 148 I CA -0.824 60.479 61.300 0.005 0.000 1.163 148 I CB 1.535 39.570 38.000 0.058 0.000 1.316 148 I HN 0.652 nan 8.210 nan 0.000 0.454 149 G N 6.970 115.552 108.800 -0.363 0.000 2.389 149 G HA2 0.697 4.657 3.960 -0.000 0.000 0.317 149 G HA3 0.697 4.657 3.960 -0.000 0.000 0.317 149 G C -0.665 174.044 174.900 -0.318 0.000 1.137 149 G CA -0.581 44.034 45.100 -0.808 0.000 0.870 149 G HN 0.434 nan 8.290 nan 0.000 0.496 150 L N 1.181 122.255 121.223 -0.247 0.000 2.325 150 L HA 0.795 5.135 4.340 -0.000 0.000 0.278 150 L C 0.638 177.533 176.870 0.042 0.000 1.023 150 L CA -0.720 54.101 54.840 -0.031 0.000 0.811 150 L CB 1.941 43.999 42.059 -0.001 0.000 1.249 150 L HN 0.693 nan 8.230 nan 0.000 0.431 151 G N 0.316 109.177 108.800 0.100 0.000 2.690 151 G HA2 0.678 4.638 3.960 -0.000 0.000 0.291 151 G HA3 0.678 4.638 3.960 -0.000 0.000 0.291 151 G C -1.086 173.872 174.900 0.096 0.000 1.403 151 G CA -0.326 44.858 45.100 0.140 0.000 0.864 151 G HN 0.565 nan 8.290 nan 0.000 0.480 152 T N -2.604 111.986 114.554 0.060 0.000 2.906 152 T HA 0.799 5.149 4.350 -0.000 0.000 0.295 152 T C -1.291 173.378 174.700 -0.051 0.000 1.075 152 T CA -1.003 61.103 62.100 0.010 0.000 1.005 152 T CB 1.950 70.810 68.868 -0.013 0.000 1.136 152 T HN 1.660 nan 8.240 nan 0.000 0.498 153 V N 1.924 121.807 119.914 -0.051 0.000 2.891 153 V HA 0.654 4.774 4.120 -0.000 0.000 0.304 153 V C -3.047 172.961 176.094 -0.143 0.000 1.171 153 V CA -2.172 60.045 62.300 -0.138 0.000 0.943 153 V CB 2.602 34.298 31.823 -0.212 0.000 1.037 153 V HN 0.899 nan 8.190 nan 0.000 0.427 154 P HA 0.514 nan 4.420 nan 0.000 0.280 154 P C -0.954 175.868 177.300 -0.797 0.000 1.244 154 P CA -0.264 62.579 63.100 -0.430 0.000 0.784 154 P CB 0.568 32.034 31.700 -0.390 0.000 0.913 155 M N 1.106 120.317 119.600 -0.648 0.000 2.575 155 M HA 0.442 4.921 4.480 -0.000 0.000 0.284 155 M C -0.419 175.685 176.300 -0.326 0.000 1.253 155 M CA -1.091 53.839 55.300 -0.617 0.000 0.861 155 M CB 2.079 34.460 32.600 -0.364 0.000 1.733 155 M HN 0.239 nan 8.290 nan 0.000 0.462 156 A N 2.266 125.049 122.820 -0.062 0.000 2.899 156 A HA 0.506 4.826 4.320 -0.000 0.000 0.287 156 A C -0.119 177.459 177.584 -0.010 0.000 1.715 156 A CA -0.278 51.833 52.037 0.123 0.000 1.393 156 A CB -1.088 18.065 19.000 0.255 0.000 1.070 156 A HN 0.694 nan 8.150 nan 0.000 0.587 157 V N -0.604 119.238 119.914 -0.120 0.000 3.049 157 V HA 0.795 4.915 4.120 -0.000 0.000 0.309 157 V C -3.194 172.797 176.094 -0.171 0.000 1.148 157 V CA -2.612 59.619 62.300 -0.116 0.000 0.990 157 V CB 2.148 33.898 31.823 -0.122 0.000 1.039 157 V HN 0.389 nan 8.190 nan 0.000 0.430 158 P HA 0.365 nan 4.420 nan 0.000 0.286 158 P C 0.377 177.560 177.300 -0.194 0.000 1.261 158 P CA -0.192 62.838 63.100 -0.118 0.000 0.821 158 P CB 0.408 31.999 31.700 -0.182 0.000 1.013 159 H N 0.257 119.278 119.070 -0.082 0.000 2.563 159 H HA -0.013 4.542 4.556 -0.000 0.000 0.272 159 H C 0.249 175.568 175.328 -0.016 0.000 1.005 159 H CA 1.255 57.247 56.048 -0.093 0.000 1.171 159 H CB -0.964 28.747 29.762 -0.085 0.000 1.351 159 H HN 0.341 nan 8.280 nan 0.000 0.602 160 T N -1.562 112.698 114.554 -0.489 0.000 3.105 160 T HA 0.292 4.642 4.350 -0.000 0.000 0.253 160 T C 0.678 175.245 174.700 -0.223 0.000 1.047 160 T CA -0.593 61.290 62.100 -0.362 0.000 0.944 160 T CB 0.430 69.062 68.868 -0.394 0.000 1.016 160 T HN 0.051 nan 8.240 nan 0.000 0.544 161 R N 1.328 121.658 120.500 -0.282 0.000 2.854 161 R HA 0.552 4.892 4.340 -0.000 0.000 0.271 161 R C -3.097 173.073 176.300 -0.215 0.000 0.994 161 R CA -2.615 53.292 56.100 -0.321 0.000 0.945 161 R CB 0.227 30.008 30.300 -0.865 0.000 1.194 161 R HN 0.049 nan 8.270 nan 0.000 0.476 162 P HA 0.049 nan 4.420 nan 0.000 0.263 162 P C -0.067 177.274 177.300 0.068 0.000 1.175 162 P CA 0.333 63.466 63.100 0.055 0.000 0.761 162 P CB 0.333 32.121 31.700 0.148 0.000 0.794 163 I N 2.523 123.134 120.570 0.069 0.000 2.533 163 I HA 0.039 4.208 4.170 -0.000 0.000 0.284 163 I C 1.298 177.508 176.117 0.156 0.000 1.109 163 I CA 0.300 61.658 61.300 0.097 0.000 1.412 163 I CB 0.295 38.340 38.000 0.074 0.000 1.396 163 I HN 0.430 nan 8.210 nan 0.000 0.543 164 T N 3.970 118.669 114.554 0.242 0.000 2.923 164 T HA 0.771 5.120 4.350 -0.000 0.000 0.281 164 T C -0.405 174.404 174.700 0.182 0.000 0.995 164 T CA -0.948 61.346 62.100 0.323 0.000 0.985 164 T CB 2.353 71.520 68.868 0.499 0.000 1.114 164 T HN 0.596 nan 8.240 nan 0.000 0.548 165 M N 1.742 121.426 119.600 0.140 0.000 2.373 165 M HA 0.380 4.860 4.480 -0.000 0.000 0.290 165 M C -1.399 174.922 176.300 0.036 0.000 1.143 165 M CA -0.492 54.748 55.300 -0.100 0.000 0.949 165 M CB 2.320 35.000 32.600 0.133 0.000 1.756 165 M HN 1.024 nan 8.290 nan 0.000 0.494 166 T N 1.864 116.373 114.554 -0.074 0.000 2.770 166 T HA 0.838 5.188 4.350 -0.000 0.000 0.297 166 T C -0.216 174.465 174.700 -0.033 0.000 0.997 166 T CA -0.536 61.592 62.100 0.046 0.000 0.949 166 T CB 1.030 69.955 68.868 0.095 0.000 0.941 166 T HN 0.744 nan 8.240 nan 0.000 0.457 167 A N 4.089 126.750 122.820 -0.266 0.000 2.316 167 A HA 0.737 5.057 4.320 -0.000 0.000 0.284 167 A C -0.110 177.335 177.584 -0.231 0.000 1.115 167 A CA -0.819 50.922 52.037 -0.492 0.000 0.812 167 A CB 0.065 18.454 19.000 -1.019 0.000 1.064 167 A HN 1.131 nan 8.150 nan 0.000 0.489 168 H N -0.890 117.951 119.070 -0.381 0.000 2.851 168 H HA 0.852 5.408 4.556 -0.000 0.000 0.372 168 H C -0.566 174.615 175.328 -0.245 0.000 1.158 168 H CA -0.391 55.513 56.048 -0.239 0.000 1.159 168 H CB 1.774 31.444 29.762 -0.155 0.000 1.757 168 H HN 0.701 nan 8.280 nan 0.000 0.546 169 S N 0.642 116.308 115.700 -0.056 0.000 2.578 169 S HA 0.146 4.616 4.470 -0.000 0.000 0.272 169 S C -0.738 173.864 174.600 0.004 0.000 1.145 169 S CA -0.640 57.517 58.200 -0.071 0.000 0.835 169 S CB 0.958 64.094 63.200 -0.107 0.000 1.104 169 S HN 0.970 nan 8.310 nan 0.000 0.458 170 N N 2.049 120.757 118.700 0.014 0.000 2.268 170 N HA 0.146 4.886 4.740 -0.000 0.000 0.204 170 N C -0.364 175.158 175.510 0.020 0.000 1.124 170 N CA -0.110 52.958 53.050 0.029 0.000 0.838 170 N CB -0.333 38.178 38.487 0.040 0.000 0.994 170 N HN 0.438 nan 8.380 nan 0.000 0.489 171 N N 0.708 119.415 118.700 0.012 0.000 2.549 171 N HA 0.270 5.010 4.740 -0.000 0.000 0.281 171 N C 0.282 175.806 175.510 0.022 0.000 1.084 171 N CA -0.462 52.599 53.050 0.017 0.000 0.862 171 N CB 1.247 39.745 38.487 0.018 0.000 1.333 171 N HN -0.081 nan 8.380 nan 0.000 0.523 172 R N 1.473 121.990 120.500 0.029 0.000 2.159 172 R HA -0.074 4.266 4.340 -0.000 0.000 0.237 172 R C 0.764 177.097 176.300 0.055 0.000 1.131 172 R CA 1.330 57.454 56.100 0.041 0.000 0.982 172 R CB 0.219 30.543 30.300 0.039 0.000 0.868 172 R HN 0.672 nan 8.270 nan 0.000 0.453 173 E N 0.577 120.805 120.200 0.047 0.000 2.153 173 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 173 E C 1.763 178.407 176.600 0.074 0.000 0.988 173 E CA 0.831 57.263 56.400 0.054 0.000 0.811 173 E CB -0.049 29.675 29.700 0.040 0.000 0.746 173 E HN 0.360 nan 8.360 nan 0.000 0.466 174 L N 0.728 121.993 121.223 0.071 0.000 2.465 174 L HA -0.015 4.325 4.340 -0.000 0.000 0.224 174 L C 1.669 178.636 176.870 0.161 0.000 1.145 174 L CA 0.580 55.476 54.840 0.094 0.000 0.834 174 L CB -0.097 41.992 42.059 0.052 0.000 0.944 174 L HN 0.229 nan 8.230 nan 0.000 0.451 175 I N -4.962 115.707 120.570 0.165 0.000 3.171 175 I HA 0.174 4.344 4.170 -0.000 0.000 0.329 175 I C 1.274 177.580 176.117 0.315 0.000 1.522 175 I CA -0.153 61.323 61.300 0.294 0.000 0.948 175 I CB 0.339 38.404 38.000 0.108 0.000 1.527 175 I HN -0.072 nan 8.210 nan 0.000 0.547 176 S N -1.249 114.576 115.700 0.209 0.000 2.489 176 S HA -0.039 4.431 4.470 -0.000 0.000 0.228 176 S C 1.135 175.798 174.600 0.104 0.000 0.995 176 S CA 0.743 59.023 58.200 0.133 0.000 0.934 176 S CB -0.295 62.953 63.200 0.079 0.000 0.771 176 S HN 0.458 nan 8.310 nan 0.000 0.522 177 D N 0.757 121.214 120.400 0.094 0.000 2.348 177 D HA 0.209 4.849 4.640 -0.000 0.000 0.216 177 D C -0.277 175.854 176.300 -0.282 0.000 0.970 177 D CA 0.461 54.369 54.000 -0.153 0.000 0.889 177 D CB -0.074 40.521 40.800 -0.342 0.000 0.912 177 D HN 0.391 nan 8.370 nan 0.000 0.524 178 F N 0.361 120.350 119.950 0.065 0.000 2.483 178 F HA 0.383 4.910 4.527 -0.000 0.000 0.329 178 F C 0.693 176.531 175.800 0.062 0.000 1.064 178 F CA -0.915 57.130 58.000 0.077 0.000 0.986 178 F CB 1.058 40.121 39.000 0.105 0.000 1.218 178 F HN -0.427 nan 8.300 nan 0.000 0.484 179 Q N 2.094 122.048 119.800 0.257 0.000 2.413 179 Q HA 0.328 4.668 4.340 -0.000 0.000 0.258 179 Q C -2.457 173.643 176.000 0.168 0.000 1.037 179 Q CA -2.057 53.842 55.803 0.160 0.000 0.764 179 Q CB 1.070 29.867 28.738 0.098 0.000 1.217 179 Q HN 0.269 nan 8.270 nan 0.000 0.490 180 P HA -0.059 nan 4.420 nan 0.000 0.256 180 P C 0.336 177.693 177.300 0.094 0.000 1.173 180 P CA 0.564 63.719 63.100 0.093 0.000 0.768 180 P CB 0.504 32.240 31.700 0.060 0.000 0.758 181 S N 3.456 119.219 115.700 0.104 0.000 2.583 181 S HA 0.240 4.710 4.470 -0.000 0.000 0.239 181 S C 0.225 174.861 174.600 0.059 0.000 0.966 181 S CA -0.417 57.859 58.200 0.127 0.000 0.973 181 S CB -0.529 62.794 63.200 0.205 0.000 0.794 181 S HN 0.217 nan 8.310 nan 0.000 0.463 182 I N 0.768 121.346 120.570 0.014 0.000 2.769 182 I HA 0.471 4.641 4.170 -0.000 0.000 0.298 182 I C 0.088 176.199 176.117 -0.011 0.000 1.128 182 I CA -0.490 60.794 61.300 -0.028 0.000 1.031 182 I CB 1.993 39.918 38.000 -0.125 0.000 1.235 182 I HN 0.062 nan 8.210 nan 0.000 0.423 183 S N 1.769 117.465 115.700 -0.006 0.000 2.788 183 S HA 0.318 4.788 4.470 -0.000 0.000 0.291 183 S C -0.345 174.250 174.600 -0.009 0.000 1.061 183 S CA -0.666 57.533 58.200 -0.001 0.000 0.923 183 S CB 1.270 64.477 63.200 0.010 0.000 1.339 183 S HN 0.606 nan 8.310 nan 0.000 0.591 184 E N 1.447 121.646 120.200 -0.002 0.000 2.417 184 E HA 0.261 4.611 4.350 -0.000 0.000 0.261 184 E C -0.783 175.819 176.600 0.004 0.000 1.000 184 E CA 0.111 56.508 56.400 -0.004 0.000 0.919 184 E CB -0.012 29.687 29.700 -0.001 0.000 0.955 184 E HN 0.435 nan 8.360 nan 0.000 0.455 185 I N 0.281 120.853 120.570 0.003 0.000 2.994 185 I HA 0.371 4.540 4.170 -0.000 0.000 0.306 185 I C -1.178 174.954 176.117 0.024 0.000 1.195 185 I CA -1.195 60.120 61.300 0.026 0.000 1.001 185 I CB 2.173 40.207 38.000 0.056 0.000 1.244 185 I HN 0.249 nan 8.210 nan 0.000 0.437 186 Q N 4.004 123.826 119.800 0.037 0.000 2.348 186 Q HA 0.560 4.899 4.340 -0.000 0.000 0.265 186 Q C -0.714 175.325 176.000 0.065 0.000 0.998 186 Q CA -0.693 55.129 55.803 0.032 0.000 0.831 186 Q CB 2.854 31.605 28.738 0.020 0.000 1.251 186 Q HN 0.689 nan 8.270 nan 0.000 0.456 187 V N -0.167 119.795 119.914 0.080 0.000 2.769 187 V HA 0.652 4.772 4.120 -0.000 0.000 0.312 187 V C -2.327 173.836 176.094 0.116 0.000 1.061 187 V CA -2.321 60.054 62.300 0.126 0.000 0.931 187 V CB 1.271 33.217 31.823 0.205 0.000 1.010 187 V HN 0.556 nan 8.190 nan 0.000 0.433 188 P HA 0.197 nan 4.420 nan 0.000 0.262 188 P C 0.396 177.778 177.300 0.137 0.000 1.182 188 P CA 0.608 63.802 63.100 0.157 0.000 0.761 188 P CB 0.359 32.196 31.700 0.228 0.000 0.795 189 G N 1.931 110.780 108.800 0.082 0.000 2.539 189 G HA2 0.460 4.420 3.960 -0.000 0.000 0.258 189 G HA3 0.460 4.420 3.960 -0.000 0.000 0.258 189 G C -0.225 174.621 174.900 -0.089 0.000 1.202 189 G CA -0.298 44.818 45.100 0.027 0.000 0.851 189 G HN 0.684 nan 8.290 nan 0.000 0.556 190 S N -0.607 114.856 115.700 -0.396 0.000 2.599 190 S HA 0.654 5.123 4.470 -0.000 0.000 0.287 190 S C 1.166 175.283 174.600 -0.805 0.000 1.105 190 S CA 0.088 57.847 58.200 -0.734 0.000 0.899 190 S CB 1.762 64.026 63.200 -1.560 0.000 1.100 190 S HN 1.303 nan 8.310 nan 0.000 0.482 191 A N 1.900 123.945 122.820 -1.293 0.000 1.908 191 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 191 A C 2.270 179.576 177.584 -0.464 0.000 1.181 191 A CA 2.270 53.605 52.037 -1.169 0.000 0.627 191 A CB -1.549 16.767 19.000 -1.140 0.000 0.818 191 A HN 0.832 nan 8.150 nan 0.000 0.445 192 S N 0.062 115.599 115.700 -0.273 0.000 2.356 192 S HA -0.152 4.317 4.470 -0.000 0.000 0.223 192 S C 1.997 176.620 174.600 0.038 0.000 1.032 192 S CA 1.401 59.612 58.200 0.019 0.000 1.005 192 S CB -0.444 62.862 63.200 0.176 0.000 0.867 192 S HN 0.682 nan 8.310 nan 0.000 0.449 193 N N 1.309 119.973 118.700 -0.061 0.000 2.120 193 N HA -0.032 4.708 4.740 -0.000 0.000 0.188 193 N C 1.597 177.120 175.510 0.021 0.000 1.024 193 N CA 0.701 53.752 53.050 0.002 0.000 0.852 193 N CB -0.660 37.785 38.487 -0.071 0.000 1.003 193 N HN 0.218 nan 8.380 nan 0.000 0.424 194 L N 0.858 122.057 121.223 -0.040 0.000 2.131 194 L HA -0.022 4.318 4.340 -0.000 0.000 0.210 194 L C 2.000 178.892 176.870 0.036 0.000 1.092 194 L CA 0.980 55.859 54.840 0.064 0.000 0.759 194 L CB -0.698 41.419 42.059 0.096 0.000 0.903 194 L HN 0.114 nan 8.230 nan 0.000 0.435 195 L N -0.249 120.917 121.223 -0.095 0.000 2.017 195 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 195 L C 2.472 179.262 176.870 -0.133 0.000 1.073 195 L CA 2.236 56.962 54.840 -0.191 0.000 0.745 195 L CB -0.856 40.968 42.059 -0.392 0.000 0.894 195 L HN 0.533 nan 8.230 nan 0.000 0.432 196 E N -1.584 118.585 120.200 -0.051 0.000 2.038 196 E HA -0.339 4.010 4.350 -0.000 0.000 0.195 196 E C 2.276 178.939 176.600 0.104 0.000 1.000 196 E CA 1.760 58.191 56.400 0.053 0.000 0.803 196 E CB -0.549 29.254 29.700 0.171 0.000 0.750 196 E HN 0.601 nan 8.360 nan 0.000 0.448 197 Y N 1.488 121.796 120.300 0.012 0.000 2.128 197 Y HA -0.201 4.349 4.550 0.000 0.000 0.284 197 Y C 2.304 178.226 175.900 0.037 0.000 1.154 197 Y CA 1.908 60.023 58.100 0.024 0.000 1.149 197 Y CB -0.145 38.327 38.460 0.021 0.000 0.976 197 Y HN -0.026 nan 8.280 nan 0.000 0.505 198 R N -0.639 119.826 120.500 -0.058 0.000 2.073 198 R HA -0.182 4.158 4.340 -0.000 0.000 0.234 198 R C 2.210 178.517 176.300 0.010 0.000 1.134 198 R CA 1.638 57.687 56.100 -0.085 0.000 0.952 198 R CB -0.775 29.531 30.300 0.010 0.000 0.850 198 R HN 0.407 nan 8.270 nan 0.000 0.433 199 M N 0.405 119.993 119.600 -0.020 0.000 2.088 199 M HA -0.168 4.312 4.480 -0.000 0.000 0.256 199 M C 2.421 178.796 176.300 0.124 0.000 1.071 199 M CA 1.951 57.258 55.300 0.012 0.000 1.097 199 M CB -1.262 31.285 32.600 -0.089 0.000 1.315 199 M HN 0.150 nan 8.290 nan 0.000 0.406 200 A N -0.503 122.333 122.820 0.027 0.000 1.902 200 A HA -0.211 4.108 4.320 -0.000 0.000 0.217 200 A C 2.043 179.586 177.584 -0.069 0.000 1.181 200 A CA 1.644 53.685 52.037 0.006 0.000 0.623 200 A CB -0.822 18.181 19.000 0.005 0.000 0.818 200 A HN 0.637 nan 8.150 nan 0.000 0.443 201 Q N -1.346 118.326 119.800 -0.214 0.000 2.308 201 Q HA -0.205 4.135 4.340 -0.000 0.000 0.209 201 Q C 0.497 176.324 176.000 -0.288 0.000 0.985 201 Q CA 1.511 57.126 55.803 -0.314 0.000 0.881 201 Q CB -0.173 28.277 28.738 -0.480 0.000 0.917 201 Q HN 0.900 nan 8.270 nan 0.000 0.443 202 H N -1.830 117.215 119.070 -0.043 0.000 2.488 202 H HA 0.258 4.814 4.556 -0.000 0.000 0.294 202 H C 0.713 175.993 175.328 -0.081 0.000 1.088 202 H CA 0.352 56.397 56.048 -0.006 0.000 1.086 202 H CB 0.678 30.502 29.762 0.102 0.000 1.569 202 H HN 0.335 nan 8.280 nan 0.000 0.548 203 G N 0.624 109.414 108.800 -0.016 0.000 2.155 203 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.257 203 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.257 203 G C -0.049 174.768 174.900 -0.138 0.000 0.983 203 G CA -0.102 44.946 45.100 -0.087 0.000 0.676 203 G HN 0.494 nan 8.290 nan 0.000 0.528 204 H N 0.308 119.386 119.070 0.013 0.000 2.562 204 H HA 0.357 4.914 4.556 0.001 0.000 0.352 204 H C 0.422 175.750 175.328 0.001 0.000 1.125 204 H CA -0.043 56.008 56.048 0.005 0.000 1.379 204 H CB 1.177 30.937 29.762 -0.004 0.000 1.464 204 H HN 0.464 nan 8.280 nan 0.000 0.563 205 E N 2.250 122.525 120.200 0.125 0.000 2.223 205 E HA 0.287 4.636 4.350 -0.000 0.000 0.282 205 E C -0.759 175.880 176.600 0.066 0.000 1.046 205 E CA -0.607 55.836 56.400 0.071 0.000 0.857 205 E CB 0.538 30.268 29.700 0.051 0.000 1.055 205 E HN 0.389 nan 8.360 nan 0.000 0.409 206 V N 1.876 121.814 119.914 0.040 0.000 2.914 206 V HA 0.849 4.968 4.120 -0.000 0.000 0.314 206 V C -0.889 175.176 176.094 -0.047 0.000 1.084 206 V CA -0.767 61.546 62.300 0.021 0.000 0.963 206 V CB 1.737 33.588 31.823 0.046 0.000 1.025 206 V HN 0.459 nan 8.190 nan 0.000 0.432 207 V N 1.771 121.613 119.914 -0.121 0.000 3.120 207 V HA 1.023 5.143 4.120 -0.000 0.000 0.303 207 V C -0.188 175.571 176.094 -0.558 0.000 1.238 207 V CA 0.578 62.669 62.300 -0.348 0.000 1.008 207 V CB 2.103 33.726 31.823 -0.334 0.000 1.064 207 V HN 1.852 nan 8.190 nan 0.000 0.434 208 G N 3.517 111.668 108.800 -1.081 0.000 2.746 208 G HA2 0.729 4.689 3.960 -0.000 0.000 0.297 208 G HA3 0.729 4.689 3.960 -0.000 0.000 0.297 208 G C -1.937 172.065 174.900 -1.496 0.000 1.426 208 G CA -0.490 43.908 45.100 -1.169 0.000 0.989 208 G HN 0.648 nan 8.290 nan 0.000 0.520 209 F N 0.821 120.544 119.950 -0.377 0.000 2.507 209 F HA 0.506 5.033 4.527 0.000 0.000 0.328 209 F C 0.277 176.043 175.800 -0.056 0.000 1.136 209 F CA -0.755 57.102 58.000 -0.239 0.000 0.930 209 F CB 3.104 41.990 39.000 -0.189 0.000 1.166 209 F HN 0.249 nan 8.300 nan 0.000 0.436 210 T N 3.465 118.127 114.554 0.180 0.000 2.821 210 T HA 0.330 4.680 4.350 -0.000 0.000 0.307 210 T C -0.511 174.186 174.700 -0.005 0.000 1.034 210 T CA -0.450 61.756 62.100 0.176 0.000 0.953 210 T CB 1.272 70.353 68.868 0.355 0.000 0.968 210 T HN 0.422 nan 8.240 nan 0.000 0.462 211 V N 4.662 124.566 119.914 -0.017 0.000 2.732 211 V HA 0.338 4.458 4.120 -0.000 0.000 0.297 211 V C -0.421 175.612 176.094 -0.101 0.000 1.060 211 V CA -0.408 61.834 62.300 -0.097 0.000 1.038 211 V CB 0.550 32.368 31.823 -0.009 0.000 1.003 211 V HN 0.922 nan 8.190 nan 0.000 0.481 212 H N 4.153 123.265 119.070 0.071 0.000 2.552 212 H HA 0.552 5.108 4.556 -0.000 0.000 0.311 212 H C -0.423 174.869 175.328 -0.061 0.000 1.071 212 H CA -0.743 55.308 56.048 0.005 0.000 1.307 212 H CB 1.476 31.257 29.762 0.032 0.000 1.416 212 H HN 0.519 nan 8.280 nan 0.000 0.464 213 V N 5.892 125.792 119.914 -0.024 0.000 2.459 213 V HA 0.211 4.331 4.120 -0.000 0.000 0.295 213 V C -2.150 173.740 176.094 -0.341 0.000 1.029 213 V CA -2.411 59.783 62.300 -0.175 0.000 0.874 213 V CB 1.538 33.251 31.823 -0.182 0.000 0.985 213 V HN 0.681 nan 8.190 nan 0.000 0.438 214 P HA -0.024 nan 4.420 nan 0.000 0.260 214 P C 0.954 177.816 177.300 -0.731 0.000 1.172 214 P CA 0.345 63.000 63.100 -0.742 0.000 0.760 214 P CB 0.160 31.159 31.700 -1.168 0.000 0.773 215 H N 2.862 121.677 119.070 -0.425 0.000 2.489 215 H HA -0.192 4.363 4.556 -0.000 0.000 0.295 215 H C 1.068 176.292 175.328 -0.174 0.000 1.082 215 H CA 1.368 57.238 56.048 -0.297 0.000 1.295 215 H CB -0.839 28.795 29.762 -0.213 0.000 1.380 215 H HN 0.545 nan 8.280 nan 0.000 0.548 216 Y N 0.296 120.466 120.300 -0.217 0.000 2.578 216 Y HA 0.256 4.806 4.550 -0.000 0.000 0.297 216 Y C 1.640 177.448 175.900 -0.153 0.000 1.176 216 Y CA -0.049 57.994 58.100 -0.095 0.000 1.315 216 Y CB -0.306 38.085 38.460 -0.115 0.000 1.031 216 Y HN 0.068 nan 8.280 nan 0.000 0.524 217 L N -0.205 120.748 121.223 -0.450 0.000 2.808 217 L HA 0.152 4.492 4.340 -0.000 0.000 0.246 217 L C 1.527 178.205 176.870 -0.319 0.000 1.153 217 L CA 0.059 54.649 54.840 -0.417 0.000 0.956 217 L CB 0.004 41.627 42.059 -0.727 0.000 1.270 217 L HN 0.152 nan 8.230 nan 0.000 0.528 218 T N -0.326 114.084 114.554 -0.240 0.000 2.699 218 T HA -0.231 4.118 4.350 -0.000 0.000 0.268 218 T C 1.381 175.946 174.700 -0.224 0.000 1.036 218 T CA 1.442 63.422 62.100 -0.200 0.000 1.147 218 T CB -0.109 68.692 68.868 -0.112 0.000 0.862 218 T HN 0.395 nan 8.240 nan 0.000 0.446 219 Q N 1.420 121.120 119.800 -0.168 0.000 2.211 219 Q HA 0.200 4.540 4.340 -0.000 0.000 0.231 219 Q C 0.325 176.226 176.000 -0.164 0.000 0.865 219 Q CA -0.148 55.584 55.803 -0.119 0.000 0.997 219 Q CB 0.425 29.171 28.738 0.013 0.000 1.101 219 Q HN 0.551 nan 8.270 nan 0.000 0.468 220 T N -3.509 110.831 114.554 -0.358 0.000 2.901 220 T HA 0.303 4.653 4.350 -0.000 0.000 0.293 220 T C -0.571 173.945 174.700 -0.308 0.000 1.084 220 T CA -0.945 61.036 62.100 -0.199 0.000 1.008 220 T CB 2.014 70.829 68.868 -0.088 0.000 1.170 220 T HN -0.187 nan 8.240 nan 0.000 0.509 221 D N 1.454 121.880 120.400 0.044 0.000 2.371 221 D HA 0.202 4.842 4.640 -0.000 0.000 0.256 221 D C -1.238 175.127 176.300 0.108 0.000 1.193 221 D CA 0.509 54.583 54.000 0.123 0.000 0.881 221 D CB 0.243 41.134 40.800 0.152 0.000 1.143 221 D HN 0.541 nan 8.370 nan 0.000 0.473 222 Y N 4.168 124.420 120.300 -0.081 0.000 2.662 222 Y HA 0.276 4.826 4.550 -0.000 0.000 0.358 222 Y C -2.026 173.838 175.900 -0.061 0.000 1.041 222 Y CA -2.425 55.621 58.100 -0.089 0.000 1.184 222 Y CB 1.386 39.766 38.460 -0.133 0.000 1.114 222 Y HN 0.233 nan 8.280 nan 0.000 0.650 223 P HA -0.213 nan 4.420 nan 0.000 0.218 223 P C 1.477 178.590 177.300 -0.312 0.000 1.146 223 P CA 2.130 65.103 63.100 -0.213 0.000 0.813 223 P CB 0.282 31.874 31.700 -0.180 0.000 0.778 224 A N 0.279 122.756 122.820 -0.573 0.000 1.917 224 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 224 A C 2.345 179.763 177.584 -0.277 0.000 1.182 224 A CA 2.366 54.106 52.037 -0.496 0.000 0.633 224 A CB -1.584 16.958 19.000 -0.764 0.000 0.819 224 A HN 0.238 nan 8.150 nan 0.000 0.448 225 A N -0.553 122.141 122.820 -0.210 0.000 1.969 225 A HA 0.252 4.572 4.320 -0.000 0.000 0.218 225 A C 2.459 180.022 177.584 -0.035 0.000 1.169 225 A CA 1.829 53.858 52.037 -0.012 0.000 0.635 225 A CB -0.847 18.231 19.000 0.131 0.000 0.810 225 A HN 1.024 nan 8.150 nan 0.000 0.445 226 A N -0.633 122.152 122.820 -0.059 0.000 1.898 226 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 226 A C 2.203 179.743 177.584 -0.073 0.000 1.181 226 A CA 1.710 53.720 52.037 -0.045 0.000 0.620 226 A CB -0.603 18.373 19.000 -0.039 0.000 0.819 226 A HN 0.643 nan 8.150 nan 0.000 0.442 227 Q N -0.360 119.368 119.800 -0.119 0.000 2.061 227 Q HA -0.178 4.161 4.340 -0.000 0.000 0.204 227 Q C 2.195 178.138 176.000 -0.096 0.000 0.984 227 Q CA 1.816 57.545 55.803 -0.124 0.000 0.846 227 Q CB -0.374 28.272 28.738 -0.153 0.000 0.902 227 Q HN 0.586 nan 8.270 nan 0.000 0.421 228 A N 0.987 123.755 122.820 -0.087 0.000 1.883 228 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 228 A C 2.107 179.636 177.584 -0.093 0.000 1.186 228 A CA 1.464 53.457 52.037 -0.074 0.000 0.624 228 A CB -0.876 18.099 19.000 -0.043 0.000 0.822 228 A HN 0.469 nan 8.150 nan 0.000 0.444 229 L N -0.637 120.543 121.223 -0.072 0.000 1.990 229 L HA -0.232 4.108 4.340 -0.000 0.000 0.213 229 L C 2.643 179.454 176.870 -0.099 0.000 1.072 229 L CA 1.495 56.289 54.840 -0.076 0.000 0.755 229 L CB -0.570 41.480 42.059 -0.015 0.000 0.889 229 L HN 0.399 nan 8.230 nan 0.000 0.432 230 L N -0.703 120.481 121.223 -0.064 0.000 2.083 230 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 230 L C 2.475 179.293 176.870 -0.086 0.000 1.083 230 L CA 1.245 56.054 54.840 -0.051 0.000 0.752 230 L CB -0.553 41.502 42.059 -0.006 0.000 0.899 230 L HN 0.350 nan 8.230 nan 0.000 0.433 231 E N -0.410 119.731 120.200 -0.100 0.000 2.153 231 E HA -0.276 4.073 4.350 -0.000 0.000 0.194 231 E C 2.141 178.653 176.600 -0.147 0.000 0.988 231 E CA 0.984 57.321 56.400 -0.104 0.000 0.811 231 E CB 0.057 29.701 29.700 -0.094 0.000 0.746 231 E HN 0.307 nan 8.360 nan 0.000 0.466 232 Q N 0.418 120.083 119.800 -0.226 0.000 2.049 232 Q HA -0.097 4.243 4.340 -0.000 0.000 0.198 232 Q C 2.124 177.937 176.000 -0.312 0.000 0.971 232 Q CA 1.085 56.651 55.803 -0.395 0.000 0.833 232 Q CB -0.171 28.094 28.738 -0.788 0.000 0.896 232 Q HN 0.111 nan 8.270 nan 0.000 0.434 233 V N 0.976 120.770 119.914 -0.200 0.000 2.324 233 V HA -0.333 3.787 4.120 -0.000 0.000 0.250 233 V C 2.280 178.310 176.094 -0.106 0.000 1.060 233 V CA 1.920 64.172 62.300 -0.080 0.000 1.042 233 V CB -1.422 30.362 31.823 -0.066 0.000 0.650 233 V HN 0.488 nan 8.190 nan 0.000 0.450 234 A N -0.067 122.680 122.820 -0.122 0.000 1.877 234 A HA -0.254 4.066 4.320 -0.000 0.000 0.216 234 A C 2.297 179.831 177.584 -0.083 0.000 1.186 234 A CA 2.146 54.114 52.037 -0.114 0.000 0.620 234 A CB -0.460 18.485 19.000 -0.093 0.000 0.822 234 A HN 0.573 nan 8.150 nan 0.000 0.443 235 K N -1.010 119.345 120.400 -0.074 0.000 2.009 235 K HA -0.115 4.205 4.320 -0.000 0.000 0.210 235 K C 2.159 178.755 176.600 -0.007 0.000 1.049 235 K CA 1.879 58.141 56.287 -0.041 0.000 0.929 235 K CB -0.627 31.847 32.500 -0.042 0.000 0.714 235 K HN 0.448 nan 8.250 nan 0.000 0.440 236 T N 0.260 114.825 114.554 0.019 0.000 2.777 236 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 236 T C 1.878 176.603 174.700 0.042 0.000 1.040 236 T CA 1.538 63.689 62.100 0.084 0.000 1.141 236 T CB -0.325 68.672 68.868 0.215 0.000 0.868 236 T HN 0.506 nan 8.240 nan 0.000 0.444 237 G N -0.089 108.709 108.800 -0.004 0.000 2.880 237 G HA2 0.173 4.133 3.960 -0.000 0.000 0.209 237 G HA3 0.173 4.133 3.960 -0.000 0.000 0.209 237 G C 0.534 175.403 174.900 -0.052 0.000 1.157 237 G CA 0.416 45.493 45.100 -0.037 0.000 0.779 237 G HN 0.360 nan 8.290 nan 0.000 0.539 238 S N -1.062 114.611 115.700 -0.045 0.000 3.749 238 S HA -0.136 4.334 4.470 -0.000 0.000 0.348 238 S C 0.154 174.715 174.600 -0.065 0.000 1.045 238 S CA 0.333 58.509 58.200 -0.039 0.000 1.051 238 S CB -1.585 61.606 63.200 -0.015 0.000 0.898 238 S HN 0.402 nan 8.310 nan 0.000 0.472 239 L N 0.903 122.059 121.223 -0.112 0.000 2.334 239 L HA 0.475 4.815 4.340 -0.000 0.000 0.273 239 L C 0.571 177.383 176.870 -0.097 0.000 1.013 239 L CA -0.646 54.103 54.840 -0.152 0.000 0.816 239 L CB 1.325 43.173 42.059 -0.351 0.000 1.278 239 L HN 0.214 nan 8.230 nan 0.000 0.431 240 Q N 4.049 123.815 119.800 -0.057 0.000 2.398 240 Q HA 0.493 4.833 4.340 -0.000 0.000 0.251 240 Q C -1.251 174.742 176.000 -0.011 0.000 0.999 240 Q CA -0.294 55.493 55.803 -0.026 0.000 0.874 240 Q CB 1.726 30.461 28.738 -0.004 0.000 1.215 240 Q HN 0.458 nan 8.270 nan 0.000 0.470 241 L N 5.034 126.249 121.223 -0.014 0.000 2.305 241 L HA 0.450 4.790 4.340 -0.000 0.000 0.284 241 L C -2.063 174.837 176.870 0.050 0.000 1.013 241 L CA -2.181 52.672 54.840 0.022 0.000 0.819 241 L CB 1.438 43.500 42.059 0.005 0.000 1.227 241 L HN 0.348 nan 8.230 nan 0.000 0.417 242 P HA 0.170 nan 4.420 nan 0.000 0.273 242 P C 0.183 177.598 177.300 0.192 0.000 1.428 242 P CA -0.113 63.040 63.100 0.087 0.000 0.995 242 P CB 0.724 32.459 31.700 0.059 0.000 1.286 243 L N 1.786 123.079 121.223 0.117 0.000 2.640 243 L HA 0.150 4.490 4.340 -0.000 0.000 0.230 243 L C 2.241 179.097 176.870 -0.023 0.000 1.123 243 L CA 0.096 54.973 54.840 0.062 0.000 0.900 243 L CB -0.251 41.793 42.059 -0.026 0.000 1.146 243 L HN 0.221 nan 8.230 nan 0.000 0.484 244 A N 0.714 123.550 122.820 0.026 0.000 1.873 244 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 244 A C 2.248 179.821 177.584 -0.018 0.000 1.193 244 A CA 2.182 54.218 52.037 -0.001 0.000 0.629 244 A CB -0.731 18.278 19.000 0.015 0.000 0.826 244 A HN 0.180 nan 8.150 nan 0.000 0.447 245 V N -0.530 119.400 119.914 0.027 0.000 2.515 245 V HA -0.199 3.921 4.120 -0.000 0.000 0.250 245 V C 2.470 178.519 176.094 -0.076 0.000 1.058 245 V CA 1.857 64.169 62.300 0.020 0.000 1.064 245 V CB -0.692 31.197 31.823 0.111 0.000 0.675 245 V HN 0.597 nan 8.190 nan 0.000 0.461 246 L N 0.768 121.843 121.223 -0.247 0.000 2.109 246 L HA 0.053 4.393 4.340 -0.000 0.000 0.207 246 L C 2.401 179.137 176.870 -0.223 0.000 1.086 246 L CA 2.125 56.746 54.840 -0.366 0.000 0.760 246 L CB -0.772 40.815 42.059 -0.786 0.000 0.910 246 L HN 0.186 nan 8.230 nan 0.000 0.437 247 A N -0.679 122.035 122.820 -0.177 0.000 1.898 247 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 247 A C 2.224 179.748 177.584 -0.101 0.000 1.181 247 A CA 1.589 53.549 52.037 -0.129 0.000 0.620 247 A CB -0.658 18.285 19.000 -0.095 0.000 0.819 247 A HN 0.523 nan 8.150 nan 0.000 0.442 248 E N 0.326 120.479 120.200 -0.079 0.000 2.058 248 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 248 E C 2.049 178.611 176.600 -0.063 0.000 0.997 248 E CA 1.740 58.107 56.400 -0.056 0.000 0.801 248 E CB -0.463 29.215 29.700 -0.036 0.000 0.746 248 E HN 0.480 nan 8.360 nan 0.000 0.450 249 A N 0.693 123.468 122.820 -0.076 0.000 1.902 249 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 249 A C 2.444 179.969 177.584 -0.098 0.000 1.181 249 A CA 2.125 54.119 52.037 -0.072 0.000 0.623 249 A CB -1.077 17.880 19.000 -0.071 0.000 0.818 249 A HN 0.393 nan 8.150 nan 0.000 0.443 250 A N -0.017 122.718 122.820 -0.141 0.000 1.883 250 A HA 0.085 4.405 4.320 -0.000 0.000 0.217 250 A C 2.537 180.033 177.584 -0.146 0.000 1.186 250 A CA 2.400 54.317 52.037 -0.199 0.000 0.624 250 A CB -1.124 17.738 19.000 -0.230 0.000 0.822 250 A HN 1.103 nan 8.150 nan 0.000 0.444 251 A N -0.344 122.418 122.820 -0.098 0.000 1.877 251 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 251 A C 2.049 179.611 177.584 -0.037 0.000 1.186 251 A CA 1.956 53.958 52.037 -0.058 0.000 0.620 251 A CB -0.639 18.334 19.000 -0.044 0.000 0.822 251 A HN 0.714 nan 8.150 nan 0.000 0.443 252 E N -0.268 119.909 120.200 -0.038 0.000 2.058 252 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 252 E C 1.831 178.421 176.600 -0.016 0.000 0.997 252 E CA 1.692 58.078 56.400 -0.022 0.000 0.801 252 E CB -0.205 29.482 29.700 -0.022 0.000 0.746 252 E HN 0.275 nan 8.360 nan 0.000 0.450 253 V N 0.834 120.732 119.914 -0.027 0.000 2.343 253 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 253 V C 2.569 178.674 176.094 0.019 0.000 1.051 253 V CA 2.133 64.430 62.300 -0.006 0.000 1.036 253 V CB -0.652 31.163 31.823 -0.014 0.000 0.654 253 V HN 0.356 nan 8.190 nan 0.000 0.451 254 Q N 0.611 120.418 119.800 0.010 0.000 2.112 254 Q HA -0.216 4.124 4.340 -0.000 0.000 0.206 254 Q C 2.077 178.109 176.000 0.054 0.000 0.987 254 Q CA 2.486 58.329 55.803 0.068 0.000 0.858 254 Q CB -0.556 28.214 28.738 0.054 0.000 0.905 254 Q HN 0.614 nan 8.270 nan 0.000 0.420 255 A N 0.131 122.968 122.820 0.029 0.000 1.969 255 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 255 A C 1.884 179.478 177.584 0.017 0.000 1.169 255 A CA 1.330 53.383 52.037 0.028 0.000 0.635 255 A CB -0.343 18.666 19.000 0.016 0.000 0.810 255 A HN 0.240 nan 8.150 nan 0.000 0.445 256 K N -0.162 120.242 120.400 0.006 0.000 2.097 256 K HA 0.014 4.334 4.320 -0.000 0.000 0.205 256 K C 1.787 178.376 176.600 -0.019 0.000 1.050 256 K CA 1.126 57.411 56.287 -0.002 0.000 0.938 256 K CB -0.389 32.110 32.500 -0.001 0.000 0.718 256 K HN 0.594 nan 8.250 nan 0.000 0.442 257 I N 1.459 122.000 120.570 -0.049 0.000 2.315 257 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 257 I C 1.759 177.819 176.117 -0.095 0.000 1.117 257 I CA 1.113 62.328 61.300 -0.141 0.000 1.404 257 I CB -0.304 37.484 38.000 -0.353 0.000 1.071 257 I HN 0.066 nan 8.210 nan 0.000 0.419 258 D N 0.931 121.340 120.400 0.015 0.000 2.084 258 D HA -0.191 4.449 4.640 -0.000 0.000 0.194 258 D C 2.052 178.383 176.300 0.050 0.000 0.990 258 D CA 1.219 55.288 54.000 0.115 0.000 0.826 258 D CB -0.298 40.583 40.800 0.134 0.000 0.971 258 D HN 0.340 nan 8.370 nan 0.000 0.453 259 E N 0.345 120.561 120.200 0.026 0.000 2.097 259 E HA -0.250 4.100 4.350 -0.000 0.000 0.196 259 E C 2.094 178.697 176.600 0.004 0.000 1.000 259 E CA 1.114 57.522 56.400 0.013 0.000 0.804 259 E CB -0.024 29.681 29.700 0.008 0.000 0.740 259 E HN 0.285 nan 8.360 nan 0.000 0.454 260 Q N -0.113 119.683 119.800 -0.006 0.000 2.123 260 Q HA -0.108 4.232 4.340 -0.000 0.000 0.199 260 Q C 2.094 178.082 176.000 -0.020 0.000 0.966 260 Q CA 0.907 56.701 55.803 -0.015 0.000 0.845 260 Q CB 0.360 29.084 28.738 -0.024 0.000 0.907 260 Q HN 0.124 nan 8.270 nan 0.000 0.439 261 V N 0.570 120.474 119.914 -0.016 0.000 2.591 261 V HA -0.153 3.967 4.120 -0.000 0.000 0.249 261 V C 1.846 177.933 176.094 -0.012 0.000 1.053 261 V CA 1.175 63.461 62.300 -0.022 0.000 1.068 261 V CB -0.146 31.688 31.823 0.019 0.000 0.689 261 V HN 0.328 nan 8.190 nan 0.000 0.462 262 Q N -0.271 119.532 119.800 0.006 0.000 2.444 262 Q HA 0.186 4.525 4.340 -0.000 0.000 0.206 262 Q C 1.827 177.825 176.000 -0.004 0.000 0.948 262 Q CA 0.940 56.744 55.803 0.003 0.000 0.946 262 Q CB 0.149 28.894 28.738 0.013 0.000 1.027 262 Q HN 0.631 nan 8.270 nan 0.000 0.513 263 A N -0.235 122.581 122.820 -0.007 0.000 2.348 263 A HA 0.168 4.488 4.320 -0.000 0.000 0.224 263 A C 0.710 178.287 177.584 -0.013 0.000 1.227 263 A CA 0.018 52.050 52.037 -0.008 0.000 0.885 263 A CB 0.537 19.533 19.000 -0.006 0.000 0.933 263 A HN 0.050 nan 8.150 nan 0.000 0.506 264 S N -0.319 115.370 115.700 -0.020 0.000 2.652 264 S HA 0.503 4.973 4.470 -0.000 0.000 0.252 264 S C 0.791 175.374 174.600 -0.029 0.000 1.219 264 S CA 0.181 58.366 58.200 -0.024 0.000 1.151 264 S CB 0.608 63.789 63.200 -0.032 0.000 1.080 264 S HN 0.755 nan 8.310 nan 0.000 0.481 265 A N 3.048 125.855 122.820 -0.022 0.000 2.131 265 A HA -0.090 4.230 4.320 -0.000 0.000 0.220 265 A C 1.858 179.426 177.584 -0.027 0.000 1.158 265 A CA 1.751 53.776 52.037 -0.021 0.000 0.665 265 A CB -0.467 18.525 19.000 -0.015 0.000 0.795 265 A HN 0.905 nan 8.150 nan 0.000 0.460 266 E N -0.072 120.110 120.200 -0.030 0.000 2.051 266 E HA -0.102 4.248 4.350 -0.000 0.000 0.189 266 E C 1.616 178.184 176.600 -0.053 0.000 0.979 266 E CA 1.464 57.844 56.400 -0.033 0.000 0.803 266 E CB -0.071 29.613 29.700 -0.027 0.000 0.761 266 E HN 0.353 nan 8.360 nan 0.000 0.451 267 V N 1.274 121.144 119.914 -0.072 0.000 2.719 267 V HA -0.069 4.051 4.120 -0.000 0.000 0.252 267 V C 2.487 178.503 176.094 -0.131 0.000 1.065 267 V CA 1.277 63.501 62.300 -0.126 0.000 1.086 267 V CB -0.553 31.181 31.823 -0.148 0.000 0.700 267 V HN 0.385 nan 8.190 nan 0.000 0.467 268 A N -0.397 122.376 122.820 -0.080 0.000 2.019 268 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 268 A C 2.237 179.787 177.584 -0.057 0.000 1.164 268 A CA 1.479 53.480 52.037 -0.060 0.000 0.644 268 A CB -0.298 18.682 19.000 -0.034 0.000 0.805 268 A HN 0.509 nan 8.150 nan 0.000 0.449 269 Q N -0.545 119.223 119.800 -0.052 0.000 2.089 269 Q HA -0.008 4.332 4.340 -0.000 0.000 0.195 269 Q C 2.363 178.338 176.000 -0.042 0.000 0.963 269 Q CA 1.339 57.120 55.803 -0.037 0.000 0.834 269 Q CB -1.100 27.624 28.738 -0.024 0.000 0.906 269 Q HN 0.421 nan 8.270 nan 0.000 0.452 270 V N 0.801 120.679 119.914 -0.061 0.000 2.250 270 V HA -0.282 3.838 4.120 -0.000 0.000 0.250 270 V C 2.480 178.528 176.094 -0.077 0.000 1.060 270 V CA 1.939 64.202 62.300 -0.062 0.000 1.030 270 V CB -0.927 30.832 31.823 -0.107 0.000 0.643 270 V HN 0.096 nan 8.190 nan 0.000 0.445 271 V N -0.023 119.805 119.914 -0.142 0.000 2.261 271 V HA -0.264 3.855 4.120 -0.000 0.000 0.246 271 V C 2.721 178.781 176.094 -0.057 0.000 1.047 271 V CA 2.111 64.336 62.300 -0.124 0.000 1.015 271 V CB -1.231 30.505 31.823 -0.146 0.000 0.642 271 V HN 0.581 nan 8.190 nan 0.000 0.446 272 A N 0.047 122.838 122.820 -0.048 0.000 1.917 272 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 272 A C 2.439 180.023 177.584 0.000 0.000 1.182 272 A CA 2.513 54.537 52.037 -0.023 0.000 0.633 272 A CB -0.951 18.038 19.000 -0.018 0.000 0.819 272 A HN 0.624 nan 8.150 nan 0.000 0.448 273 A N -0.407 122.415 122.820 0.004 0.000 1.883 273 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 273 A C 2.209 179.820 177.584 0.045 0.000 1.186 273 A CA 1.663 53.715 52.037 0.025 0.000 0.624 273 A CB -0.658 18.358 19.000 0.027 0.000 0.822 273 A HN 0.497 nan 8.150 nan 0.000 0.444 274 L N -0.705 120.543 121.223 0.041 0.000 2.017 274 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 274 L C 2.643 179.560 176.870 0.079 0.000 1.073 274 L CA 1.787 56.665 54.840 0.063 0.000 0.745 274 L CB -0.661 41.427 42.059 0.048 0.000 0.894 274 L HN 0.491 nan 8.230 nan 0.000 0.432 275 E N -0.228 119.996 120.200 0.040 0.000 2.097 275 E HA -0.264 4.086 4.350 -0.000 0.000 0.196 275 E C 2.316 178.989 176.600 0.122 0.000 1.000 275 E CA 1.160 57.596 56.400 0.061 0.000 0.804 275 E CB -0.128 29.576 29.700 0.008 0.000 0.740 275 E HN 0.421 nan 8.360 nan 0.000 0.454 276 R N 0.787 121.338 120.500 0.085 0.000 2.070 276 R HA -0.170 4.170 4.340 -0.000 0.000 0.232 276 R C 2.525 178.891 176.300 0.110 0.000 1.138 276 R CA 1.690 57.840 56.100 0.083 0.000 0.936 276 R CB -0.271 30.063 30.300 0.057 0.000 0.839 276 R HN 0.242 nan 8.270 nan 0.000 0.429 277 Q N -0.653 119.217 119.800 0.117 0.000 2.112 277 Q HA -0.262 4.078 4.340 -0.000 0.000 0.206 277 Q C 1.939 178.047 176.000 0.180 0.000 0.987 277 Q CA 1.998 57.879 55.803 0.130 0.000 0.858 277 Q CB -0.297 28.511 28.738 0.117 0.000 0.905 277 Q HN 0.421 nan 8.270 nan 0.000 0.420 278 Y N 1.880 122.226 120.300 0.077 0.000 2.163 278 Y HA -0.226 4.324 4.550 -0.000 0.000 0.288 278 Y C 1.760 177.741 175.900 0.135 0.000 1.136 278 Y CA 1.714 59.876 58.100 0.104 0.000 1.147 278 Y CB -0.053 38.441 38.460 0.057 0.000 0.987 278 Y HN 0.088 nan 8.280 nan 0.000 0.509 279 D N 0.199 120.709 120.400 0.185 0.000 2.144 279 D HA -0.192 4.448 4.640 -0.000 0.000 0.199 279 D C 2.237 178.543 176.300 0.009 0.000 0.984 279 D CA 1.443 55.486 54.000 0.073 0.000 0.834 279 D CB -0.507 40.356 40.800 0.105 0.000 0.955 279 D HN 0.509 nan 8.370 nan 0.000 0.465 280 A N 0.495 123.346 122.820 0.050 0.000 1.898 280 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 280 A C 2.062 179.666 177.584 0.034 0.000 1.181 280 A CA 0.827 52.887 52.037 0.040 0.000 0.620 280 A CB -0.910 18.129 19.000 0.065 0.000 0.819 280 A HN 0.242 nan 8.150 nan 0.000 0.442 281 F N 0.674 120.573 119.950 -0.085 0.000 2.186 281 F HA -0.106 4.421 4.527 -0.000 0.000 0.299 281 F C 1.897 177.607 175.800 -0.150 0.000 1.090 281 F CA 1.304 59.242 58.000 -0.103 0.000 1.307 281 F CB -0.149 38.787 39.000 -0.105 0.000 1.019 281 F HN 0.179 nan 8.300 nan 0.000 0.489 282 I N 0.293 120.738 120.570 -0.209 0.000 2.076 282 I HA -0.338 3.832 4.170 -0.000 0.000 0.237 282 I C 2.121 178.096 176.117 -0.236 0.000 1.059 282 I CA 1.795 62.928 61.300 -0.278 0.000 1.317 282 I CB -0.713 37.142 38.000 -0.242 0.000 1.037 282 I HN 0.058 nan 8.210 nan 0.000 0.398 283 D N 1.041 121.352 120.400 -0.148 0.000 2.133 283 D HA -0.201 4.439 4.640 -0.000 0.000 0.195 283 D C 2.137 178.355 176.300 -0.137 0.000 0.997 283 D CA 1.725 55.659 54.000 -0.110 0.000 0.840 283 D CB -0.222 40.541 40.800 -0.062 0.000 0.947 283 D HN 0.409 nan 8.370 nan 0.000 0.452 284 A N 0.515 123.231 122.820 -0.174 0.000 1.873 284 A HA -0.193 4.127 4.320 -0.000 0.000 0.215 284 A C 2.124 179.561 177.584 -0.246 0.000 1.186 284 A CA 1.505 53.434 52.037 -0.179 0.000 0.616 284 A CB -0.652 18.254 19.000 -0.157 0.000 0.823 284 A HN 0.203 nan 8.150 nan 0.000 0.442 285 Q N -0.837 118.710 119.800 -0.422 0.000 2.224 285 Q HA -0.175 4.165 4.340 -0.000 0.000 0.203 285 Q C 1.640 177.503 176.000 -0.229 0.000 0.970 285 Q CA 1.257 56.819 55.803 -0.402 0.000 0.865 285 Q CB -0.028 28.319 28.738 -0.652 0.000 0.922 285 Q HN 0.622 nan 8.270 nan 0.000 0.445 286 E N 0.523 120.605 120.200 -0.197 0.000 2.046 286 E HA -0.111 4.239 4.350 -0.000 0.000 0.190 286 E C 1.726 178.270 176.600 -0.093 0.000 0.982 286 E CA 0.664 56.990 56.400 -0.124 0.000 0.800 286 E CB -0.233 29.404 29.700 -0.105 0.000 0.756 286 E HN 0.370 nan 8.360 nan 0.000 0.449 287 N N 0.767 119.411 118.700 -0.093 0.000 2.223 287 N HA -0.148 4.592 4.740 -0.000 0.000 0.185 287 N C 2.028 177.501 175.510 -0.062 0.000 1.016 287 N CA 1.686 54.696 53.050 -0.067 0.000 0.863 287 N CB -0.418 38.033 38.487 -0.060 0.000 0.983 287 N HN 0.228 nan 8.380 nan 0.000 0.429 288 R N 0.691 121.145 120.500 -0.078 0.000 2.159 288 R HA -0.006 4.334 4.340 -0.000 0.000 0.237 288 R C 2.326 178.596 176.300 -0.051 0.000 1.131 288 R CA 1.652 57.714 56.100 -0.063 0.000 0.982 288 R CB -1.532 28.721 30.300 -0.078 0.000 0.868 288 R HN 0.307 nan 8.270 nan 0.000 0.453 289 S N -0.605 115.061 115.700 -0.057 0.000 2.423 289 S HA 0.122 4.592 4.470 -0.000 0.000 0.231 289 S C 0.900 175.480 174.600 -0.033 0.000 1.014 289 S CA 0.689 58.863 58.200 -0.043 0.000 0.965 289 S CB -0.348 62.823 63.200 -0.048 0.000 0.785 289 S HN 0.540 nan 8.310 nan 0.000 0.495 305 A N 0.688 123.565 122.820 0.095 0.000 1.975 305 A HA 0.315 4.635 4.320 -0.000 0.000 0.215 305 A C 1.832 179.460 177.584 0.073 0.000 1.170 305 A CA 1.985 54.065 52.037 0.071 0.000 0.656 305 A CB -0.262 18.757 19.000 0.031 0.000 0.821 305 A HN 0.420 nan 8.150 nan 0.000 0.449 306 E N -1.065 119.201 120.200 0.109 0.000 2.051 306 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 306 E C 1.688 178.465 176.600 0.294 0.000 0.991 306 E CA 1.263 57.771 56.400 0.180 0.000 0.799 306 E CB -0.260 29.580 29.700 0.234 0.000 0.748 306 E HN 0.643 nan 8.360 nan 0.000 0.449 307 F N 2.004 122.032 119.950 0.131 0.000 2.091 307 F HA -0.264 4.263 4.527 0.000 0.000 0.299 307 F C 2.157 178.027 175.800 0.116 0.000 1.103 307 F CA 1.800 59.882 58.000 0.136 0.000 1.228 307 F CB 0.047 39.109 39.000 0.103 0.000 0.984 307 F HN 0.009 nan 8.300 nan 0.000 0.477 308 E N -0.411 119.937 120.200 0.247 0.000 2.028 308 E HA -0.256 4.093 4.350 -0.000 0.000 0.191 308 E C 2.373 178.978 176.600 0.009 0.000 0.988 308 E CA 1.167 57.642 56.400 0.125 0.000 0.799 308 E CB -0.262 29.506 29.700 0.112 0.000 0.755 308 E HN 0.342 nan 8.360 nan 0.000 0.447 309 R N -0.074 120.396 120.500 -0.049 0.000 2.096 309 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 309 R C 2.029 178.198 176.300 -0.218 0.000 1.127 309 R CA 1.239 57.233 56.100 -0.176 0.000 0.968 309 R CB -0.148 29.968 30.300 -0.307 0.000 0.861 309 R HN 0.132 nan 8.270 nan 0.000 0.440 310 F N -0.150 119.739 119.950 -0.101 0.000 2.187 310 F HA -0.091 4.436 4.527 -0.000 0.000 0.295 310 F C 2.107 177.786 175.800 -0.202 0.000 1.091 310 F CA 0.387 58.303 58.000 -0.140 0.000 1.308 310 F CB -0.128 38.789 39.000 -0.139 0.000 1.030 310 F HN 0.047 nan 8.300 nan 0.000 0.487 311 L N 0.251 121.418 121.223 -0.093 0.000 2.056 311 L HA -0.098 4.241 4.340 -0.000 0.000 0.207 311 L C 2.445 179.229 176.870 -0.143 0.000 1.078 311 L CA 1.753 56.444 54.840 -0.247 0.000 0.749 311 L CB -0.816 41.006 42.059 -0.395 0.000 0.901 311 L HN 0.062 nan 8.230 nan 0.000 0.433 312 A N -1.208 121.581 122.820 -0.051 0.000 1.972 312 A HA -0.277 4.043 4.320 -0.000 0.000 0.219 312 A C 2.289 179.862 177.584 -0.019 0.000 1.169 312 A CA 1.788 53.825 52.037 -0.001 0.000 0.635 312 A CB -0.666 18.339 19.000 0.007 0.000 0.810 312 A HN 0.660 nan 8.150 nan 0.000 0.446 313 Q N -1.062 118.713 119.800 -0.041 0.000 2.079 313 Q HA -0.212 4.127 4.340 -0.000 0.000 0.200 313 Q C 2.044 178.025 176.000 -0.030 0.000 0.974 313 Q CA 1.473 57.256 55.803 -0.033 0.000 0.840 313 Q CB -0.134 28.586 28.738 -0.030 0.000 0.898 313 Q HN 0.633 nan 8.270 nan 0.000 0.430 314 Q N -0.078 119.682 119.800 -0.067 0.000 2.083 314 Q HA -0.047 4.293 4.340 -0.000 0.000 0.198 314 Q C 2.044 177.988 176.000 -0.094 0.000 0.969 314 Q CA 1.291 57.031 55.803 -0.106 0.000 0.838 314 Q CB -0.432 28.180 28.738 -0.209 0.000 0.900 314 Q HN 0.477 nan 8.270 nan 0.000 0.436 315 A N 1.432 124.194 122.820 -0.096 0.000 2.084 315 A HA -0.155 4.165 4.320 -0.000 0.000 0.221 315 A C 1.044 178.693 177.584 0.109 0.000 1.161 315 A CA 0.927 53.016 52.037 0.087 0.000 0.653 315 A CB -0.157 18.993 19.000 0.250 0.000 0.802 315 A HN 0.192 nan 8.150 nan 0.000 0.457 316 E N 0.000 120.229 120.200 0.049 0.000 2.725 316 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 316 E CA 0.000 56.425 56.400 0.041 0.000 0.976 316 E CB 0.000 29.712 29.700 0.019 0.000 0.812 316 E HN 0.000 nan 8.360 nan 0.000 0.440