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 3du7_1_C DATA FIRST_RESID 2 DATA SEQUENCE RECISIHVGQ AGVQIGNACW ELYCLEHGIQ PDGQMPSDKT IGGGDDSFNT DATA SEQUENCE FFSETGAGKH VPRAVFVDLE PTVIDEVRTG TYRQLFHPEQ LISGKEDAAN DATA SEQUENCE NYARGHYTIG KEIIDLVLDR VRKLADQCTG LQGFLVFHSF GGGTGSGFTS DATA SEQUENCE LLMERLSVDY GKKSKLEFSI YPAPQVSTAV VEPYNSILTT HTTLEHSDCA DATA SEQUENCE FMVDNEAIYD ICRRNLDIER PTYTNLNRLM SQIVSSITAS LRFDGALNVD DATA SEQUENCE LTEFQTNLVP YPRIHFPLAT YAPVISAEKA YHEQLSVAEI TNACFEPANQ DATA SEQUENCE MVKCDPRHGK YMACCLLYRG DVVPKDVNAA IATIKTKRTI QFVDWCPTGF DATA SEQUENCE KVGINYQPPT VVPGGDLAKV QRAVCMLSNT TAVAEAWARL DHKFDLMYAK DATA SEQUENCE RAFVHWYVGE GMEEGEFSEA REDMAALEKD YEEVGADS 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.251 176.300 -0.083 0.000 0.893 2 R CA 0.000 56.064 56.100 -0.061 0.000 0.921 2 R CB 0.000 30.269 30.300 -0.052 0.000 0.687 3 E N -0.559 119.565 120.200 -0.127 0.000 2.408 3 E HA 0.487 4.837 4.350 -0.000 0.000 0.275 3 E C -1.591 174.858 176.600 -0.251 0.000 0.935 3 E CA -0.509 55.796 56.400 -0.158 0.000 0.775 3 E CB 3.105 32.741 29.700 -0.107 0.000 1.277 3 E HN 0.124 nan 8.360 nan 0.000 0.455 4 C N 1.885 120.986 119.300 -0.332 0.000 2.481 4 C HA 0.598 5.058 4.460 -0.000 0.000 0.324 4 C C -1.074 173.731 174.990 -0.309 0.000 1.170 4 C CA -0.389 58.363 59.018 -0.443 0.000 1.361 4 C CB -0.098 27.162 27.740 -0.800 0.000 1.977 4 C HN 0.688 nan 8.230 nan 0.000 0.459 5 I N 3.647 124.161 120.570 -0.093 0.000 2.359 5 I HA 0.340 4.510 4.170 -0.000 0.000 0.294 5 I C 0.331 176.556 176.117 0.181 0.000 0.987 5 I CA 0.641 62.011 61.300 0.116 0.000 1.225 5 I CB 1.817 40.006 38.000 0.315 0.000 1.366 5 I HN 0.574 nan 8.210 nan 0.000 0.466 6 S N 6.916 122.745 115.700 0.214 0.000 2.461 6 S HA 0.521 4.991 4.470 -0.000 0.000 0.322 6 S C -0.137 174.386 174.600 -0.128 0.000 1.063 6 S CA -0.480 57.812 58.200 0.153 0.000 1.120 6 S CB 0.190 63.639 63.200 0.415 0.000 0.968 6 S HN 0.298 nan 8.310 nan 0.000 0.467 7 I N 4.346 124.815 120.570 -0.169 0.000 2.312 7 I HA 0.226 4.396 4.170 -0.000 0.000 0.291 7 I C -0.377 175.519 176.117 -0.367 0.000 1.031 7 I CA -0.383 60.788 61.300 -0.216 0.000 1.293 7 I CB 0.577 38.491 38.000 -0.143 0.000 1.403 7 I HN 0.607 nan 8.210 nan 0.000 0.484 8 H N 4.743 123.703 119.070 -0.183 0.000 2.504 8 H HA 0.510 5.066 4.556 -0.000 0.000 0.322 8 H C -0.535 174.760 175.328 -0.055 0.000 1.055 8 H CA -0.505 55.401 56.048 -0.236 0.000 1.231 8 H CB 2.112 31.414 29.762 -0.767 0.000 1.417 8 H HN 0.326 nan 8.280 nan 0.000 0.472 9 V N 3.377 123.399 119.914 0.180 0.000 2.638 9 V HA 0.822 4.942 4.120 -0.000 0.000 0.306 9 V C -0.136 176.078 176.094 0.200 0.000 1.052 9 V CA 0.404 62.823 62.300 0.198 0.000 0.885 9 V CB 1.119 33.121 31.823 0.298 0.000 0.999 9 V HN 1.142 nan 8.190 nan 0.000 0.424 10 G N 4.583 113.466 108.800 0.138 0.000 2.785 10 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.686 10 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.686 10 G C 0.106 175.057 174.900 0.084 0.000 1.155 10 G CA 0.723 45.895 45.100 0.121 0.000 0.760 10 G HN 1.833 nan 8.290 nan 0.000 0.624 11 Q N 1.300 121.128 119.800 0.047 0.000 2.084 11 Q HA -0.199 4.141 4.340 -0.000 0.000 0.215 11 Q C 2.826 178.812 176.000 -0.024 0.000 1.020 11 Q CA 4.288 60.092 55.803 0.001 0.000 0.887 11 Q CB -0.432 28.290 28.738 -0.028 0.000 0.975 11 Q HN 2.011 nan 8.270 nan 0.000 0.413 12 A N 0.230 123.042 122.820 -0.013 0.000 1.828 12 A HA -0.069 4.251 4.320 -0.000 0.000 0.215 12 A C 2.432 180.038 177.584 0.036 0.000 1.203 12 A CA 1.950 53.980 52.037 -0.012 0.000 0.614 12 A CB -1.904 17.117 19.000 0.035 0.000 0.844 12 A HN 0.686 nan 8.150 nan 0.000 0.445 13 G N -0.561 108.302 108.800 0.106 0.000 2.703 13 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.222 13 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.222 13 G C 1.582 176.498 174.900 0.027 0.000 1.183 13 G CA 1.841 47.039 45.100 0.163 0.000 0.775 13 G HN 0.424 nan 8.290 nan 0.000 0.615 14 V N 0.308 120.225 119.914 0.005 0.000 2.255 14 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 14 V C 2.910 178.964 176.094 -0.067 0.000 1.051 14 V CA 2.675 64.947 62.300 -0.047 0.000 1.018 14 V CB -0.524 31.372 31.823 0.123 0.000 0.641 14 V HN 0.496 nan 8.190 nan 0.000 0.445 15 Q N -1.171 118.607 119.800 -0.036 0.000 2.170 15 Q HA -0.171 4.169 4.340 -0.000 0.000 0.203 15 Q C 2.059 178.022 176.000 -0.062 0.000 0.976 15 Q CA 1.611 57.392 55.803 -0.037 0.000 0.858 15 Q CB -0.155 28.547 28.738 -0.059 0.000 0.907 15 Q HN 0.620 nan 8.270 nan 0.000 0.433 16 I N -0.408 120.111 120.570 -0.085 0.000 2.252 16 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 16 I C 2.120 178.063 176.117 -0.290 0.000 1.102 16 I CA 1.309 62.548 61.300 -0.101 0.000 1.385 16 I CB -0.586 37.426 38.000 0.021 0.000 1.064 16 I HN 0.253 nan 8.210 nan 0.000 0.414 17 G N 0.371 108.844 108.800 -0.545 0.000 2.604 17 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.216 17 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.216 17 G C 1.514 176.249 174.900 -0.275 0.000 1.265 17 G CA 1.227 45.736 45.100 -0.985 0.000 0.804 17 G HN 0.337 nan 8.290 nan 0.000 0.579 18 N N 1.450 120.149 118.700 -0.002 0.000 2.060 18 N HA -0.106 4.634 4.740 -0.000 0.000 0.195 18 N C 2.073 177.589 175.510 0.010 0.000 1.028 18 N CA 1.818 54.935 53.050 0.111 0.000 0.861 18 N CB -0.487 38.051 38.487 0.086 0.000 1.029 18 N HN 0.278 nan 8.380 nan 0.000 0.428 19 A N -1.027 121.776 122.820 -0.029 0.000 2.251 19 A HA 0.097 4.417 4.320 -0.000 0.000 0.209 19 A C 2.466 180.000 177.584 -0.083 0.000 1.187 19 A CA 0.727 52.753 52.037 -0.018 0.000 0.823 19 A CB -0.749 18.256 19.000 0.008 0.000 0.846 19 A HN 0.628 nan 8.150 nan 0.000 0.486 20 C N -2.773 116.411 119.300 -0.193 0.000 2.469 20 C HA 0.135 4.595 4.460 -0.000 0.000 0.309 20 C C 1.992 176.667 174.990 -0.526 0.000 1.385 20 C CA 0.487 59.303 59.018 -0.336 0.000 1.890 20 C CB -1.505 25.980 27.740 -0.424 0.000 2.245 20 C HN 0.696 nan 8.230 nan 0.000 0.530 21 W N 2.567 123.483 121.300 -0.641 0.000 2.359 21 W HA -0.100 4.560 4.660 -0.000 0.000 0.275 21 W C 2.538 178.894 176.519 -0.272 0.000 1.217 21 W CA 2.060 59.043 57.345 -0.604 0.000 1.196 21 W CB -0.138 29.149 29.460 -0.288 0.000 1.129 21 W HN 0.652 nan 8.180 nan 0.000 0.566 22 E N -0.092 120.071 120.200 -0.062 0.000 2.107 22 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 22 E C 1.964 178.633 176.600 0.116 0.000 0.982 22 E CA 1.158 57.534 56.400 -0.040 0.000 0.809 22 E CB -0.911 28.822 29.700 0.055 0.000 0.756 22 E HN 0.341 nan 8.360 nan 0.000 0.459 23 L N -0.030 121.240 121.223 0.079 0.000 2.376 23 L HA -0.037 4.303 4.340 -0.000 0.000 0.219 23 L C 1.939 178.966 176.870 0.262 0.000 1.133 23 L CA 0.818 55.737 54.840 0.132 0.000 0.816 23 L CB -0.127 41.975 42.059 0.071 0.000 0.933 23 L HN 0.223 nan 8.230 nan 0.000 0.449 24 Y N -2.003 118.321 120.300 0.041 0.000 2.133 24 Y HA -0.327 4.223 4.550 0.000 0.000 0.287 24 Y C 2.699 178.796 175.900 0.328 0.000 1.134 24 Y CA 0.994 59.169 58.100 0.124 0.000 1.133 24 Y CB -0.343 38.126 38.460 0.015 0.000 0.987 24 Y HN 0.268 nan 8.280 nan 0.000 0.502 25 C N -0.339 119.251 119.300 0.483 0.000 2.440 25 C HA -0.158 4.302 4.460 -0.000 0.000 0.278 25 C C 2.389 177.544 174.990 0.275 0.000 1.295 25 C CA 0.393 59.639 59.018 0.380 0.000 1.738 25 C CB -1.212 26.724 27.740 0.328 0.000 1.987 25 C HN 0.436 nan 8.230 nan 0.000 0.492 26 L N 0.634 121.996 121.223 0.233 0.000 2.551 26 L HA -0.006 4.334 4.340 -0.000 0.000 0.228 26 L C 2.161 179.103 176.870 0.119 0.000 1.153 26 L CA 1.499 56.438 54.840 0.164 0.000 0.851 26 L CB -0.881 41.264 42.059 0.144 0.000 0.959 26 L HN 0.416 nan 8.230 nan 0.000 0.451 27 E N -2.204 118.073 120.200 0.128 0.000 2.290 27 E HA 0.020 4.370 4.350 -0.000 0.000 0.199 27 E C 1.631 178.194 176.600 -0.062 0.000 0.912 27 E CA 0.079 56.492 56.400 0.023 0.000 0.924 27 E CB 0.249 29.971 29.700 0.036 0.000 0.901 27 E HN 0.475 nan 8.360 nan 0.000 0.487 28 H N -0.873 118.282 119.070 0.142 0.000 2.563 28 H HA 0.213 4.769 4.556 -0.000 0.000 0.264 28 H C 0.491 175.856 175.328 0.061 0.000 0.957 28 H CA 0.877 56.982 56.048 0.095 0.000 1.173 28 H CB 1.073 30.854 29.762 0.031 0.000 1.420 28 H HN 0.260 nan 8.280 nan 0.000 0.551 29 G N 1.838 110.740 108.800 0.170 0.000 2.417 29 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.291 29 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.291 29 G C -0.242 174.737 174.900 0.131 0.000 1.094 29 G CA -0.123 45.053 45.100 0.127 0.000 1.146 29 G HN 0.326 nan 8.290 nan 0.000 0.519 30 I N 0.631 121.296 120.570 0.159 0.000 2.405 30 I HA 0.271 4.441 4.170 -0.000 0.000 0.280 30 I C 0.346 176.574 176.117 0.184 0.000 1.027 30 I CA -0.731 60.663 61.300 0.158 0.000 1.161 30 I CB 1.446 39.550 38.000 0.174 0.000 1.300 30 I HN 0.171 nan 8.210 nan 0.000 0.463 31 Q N 7.974 127.855 119.800 0.134 0.000 2.295 31 Q HA 0.201 4.541 4.340 -0.000 0.000 0.259 31 Q C -1.539 174.542 176.000 0.136 0.000 0.976 31 Q CA -1.305 54.575 55.803 0.128 0.000 0.923 31 Q CB 0.730 29.509 28.738 0.069 0.000 1.185 31 Q HN 0.291 nan 8.270 nan 0.000 0.410 32 P HA -0.443 nan 4.420 nan 0.000 0.221 32 P C 0.574 177.957 177.300 0.138 0.000 0.967 32 P CA 1.910 65.147 63.100 0.228 0.000 1.038 32 P CB 0.103 31.836 31.700 0.054 0.000 0.731 33 D N -1.923 118.513 120.400 0.060 0.000 2.034 33 D HA -0.306 4.334 4.640 -0.000 0.000 0.605 33 D C 1.443 177.773 176.300 0.051 0.000 0.732 33 D CA 3.663 57.684 54.000 0.034 0.000 1.697 33 D CB -1.314 39.499 40.800 0.021 0.000 0.219 33 D HN 0.496 nan 8.370 nan 0.000 0.339 34 G N -3.243 105.592 108.800 0.058 0.000 4.455 34 G HA2 0.203 4.163 3.960 -0.000 0.000 0.182 34 G HA3 0.203 4.163 3.960 -0.000 0.000 0.182 34 G C 0.266 175.155 174.900 -0.019 0.000 1.631 34 G CA 0.845 45.979 45.100 0.057 0.000 0.878 34 G HN 0.841 nan 8.290 nan 0.000 0.295 35 Q N -0.007 119.738 119.800 -0.091 0.000 2.330 35 Q HA 0.694 5.034 4.340 -0.000 0.000 0.279 35 Q C 0.513 176.454 176.000 -0.098 0.000 1.024 35 Q CA 0.957 56.646 55.803 -0.190 0.000 0.900 35 Q CB -0.227 28.430 28.738 -0.135 0.000 1.221 35 Q HN 2.135 nan 8.270 nan 0.000 0.396 36 M N 2.451 121.985 119.600 -0.110 0.000 2.901 36 M HA 0.499 4.979 4.480 -0.000 0.000 0.294 36 M C -2.071 174.238 176.300 0.014 0.000 1.255 36 M CA -1.916 53.397 55.300 0.022 0.000 1.274 36 M CB 0.124 32.803 32.600 0.132 0.000 1.173 36 M HN 0.634 nan 8.290 nan 0.000 0.525 37 P HA 0.207 nan 4.420 nan 0.000 0.261 37 P C 0.304 177.615 177.300 0.020 0.000 1.463 37 P CA 1.207 64.307 63.100 0.000 0.000 0.834 37 P CB -0.737 30.962 31.700 -0.002 0.000 1.715 38 S N 0.071 115.793 115.700 0.038 0.000 2.601 38 S HA 0.570 5.040 4.470 -0.000 0.000 0.312 38 S C 0.888 175.523 174.600 0.059 0.000 1.107 38 S CA 0.247 58.476 58.200 0.049 0.000 1.129 38 S CB -0.073 63.165 63.200 0.063 0.000 0.982 38 S HN 0.211 nan 8.310 nan 0.000 0.469 39 D N 0.546 120.972 120.400 0.044 0.000 4.493 39 D HA -0.037 4.603 4.640 -0.000 0.000 0.184 39 D C 1.231 177.557 176.300 0.044 0.000 0.799 39 D CA 3.569 57.594 54.000 0.043 0.000 1.795 39 D CB -1.707 39.120 40.800 0.046 0.000 1.062 39 D HN 1.810 nan 8.370 nan 0.000 0.445 40 K N -2.223 118.213 120.400 0.060 0.000 2.548 40 K HA 0.880 5.200 4.320 -0.000 0.000 0.301 40 K C 2.225 178.889 176.600 0.106 0.000 1.874 40 K CA 1.804 58.130 56.287 0.065 0.000 1.033 40 K CB -0.518 32.012 32.500 0.051 0.000 3.154 40 K HN 2.443 nan 8.250 nan 0.000 0.919 41 T N -2.120 112.492 114.554 0.097 0.000 0.541 41 T HA 0.170 4.520 4.350 -0.000 0.000 0.774 41 T C 1.631 176.425 174.700 0.155 0.000 0.992 41 T CA 3.370 65.539 62.100 0.115 0.000 4.077 41 T CB -2.054 66.867 68.868 0.089 0.000 2.303 41 T HN 2.665 nan 8.240 nan 0.000 0.398 42 I N -1.655 119.017 120.570 0.170 0.000 3.899 42 I HA -0.305 3.864 4.170 -0.000 0.000 0.144 42 I C 2.356 178.525 176.117 0.087 0.000 0.379 42 I CA 3.323 64.716 61.300 0.155 0.000 1.237 42 I CB -2.152 35.968 38.000 0.199 0.000 1.087 42 I HN 2.111 nan 8.210 nan 0.000 0.213 43 G N -0.355 108.487 108.800 0.070 0.000 3.189 43 G HA2 0.640 4.600 3.960 -0.000 0.000 0.225 43 G HA3 0.640 4.600 3.960 -0.000 0.000 0.225 43 G C 1.123 176.051 174.900 0.046 0.000 1.159 43 G CA 1.042 46.171 45.100 0.049 0.000 0.763 43 G HN 2.666 nan 8.290 nan 0.000 0.549 44 G N -0.515 108.318 108.800 0.054 0.000 3.487 44 G HA2 0.321 4.281 3.960 -0.000 0.000 0.235 44 G HA3 0.321 4.281 3.960 -0.000 0.000 0.235 44 G C 0.433 175.362 174.900 0.049 0.000 3.868 44 G CA -0.102 45.025 45.100 0.046 0.000 0.522 44 G HN 0.750 nan 8.290 nan 0.000 0.295 45 G N 0.169 109.001 108.800 0.055 0.000 2.451 45 G HA2 0.345 4.305 3.960 -0.000 0.000 0.287 45 G HA3 0.345 4.305 3.960 -0.000 0.000 0.287 45 G C 0.666 175.588 174.900 0.037 0.000 0.617 45 G CA 1.106 46.234 45.100 0.047 0.000 2.108 45 G HN 1.074 nan 8.290 nan 0.000 0.531 46 D N -0.395 120.028 120.400 0.038 0.000 2.368 46 D HA 0.447 5.087 4.640 -0.000 0.000 0.218 46 D C 0.866 177.190 176.300 0.040 0.000 1.112 46 D CA 0.482 54.504 54.000 0.036 0.000 0.834 46 D CB -0.385 40.435 40.800 0.034 0.000 0.953 46 D HN 0.729 nan 8.370 nan 0.000 0.505 47 D N -1.173 119.252 120.400 0.041 0.000 2.312 47 D HA 0.609 5.249 4.640 -0.000 0.000 0.248 47 D C 1.567 177.903 176.300 0.060 0.000 1.086 47 D CA 0.292 54.323 54.000 0.052 0.000 0.948 47 D CB 0.625 41.455 40.800 0.051 0.000 1.162 47 D HN 0.393 nan 8.370 nan 0.000 0.446 48 S N -1.647 114.106 115.700 0.088 0.000 2.522 48 S HA 0.326 4.796 4.470 -0.000 0.000 0.227 48 S C 1.834 176.512 174.600 0.129 0.000 0.986 48 S CA 1.440 59.705 58.200 0.109 0.000 0.929 48 S CB -0.678 62.605 63.200 0.138 0.000 0.769 48 S HN 1.286 nan 8.310 nan 0.000 0.529 49 F N 1.459 121.478 119.950 0.116 0.000 2.710 49 F HA 0.110 4.637 4.527 -0.000 0.000 0.298 49 F C 1.883 177.664 175.800 -0.033 0.000 1.137 49 F CA 0.573 58.604 58.000 0.051 0.000 1.444 49 F CB -0.813 38.207 39.000 0.033 0.000 1.111 49 F HN 0.382 nan 8.300 nan 0.000 0.580 50 N N 0.887 119.601 118.700 0.023 0.000 2.571 50 N HA -0.031 4.709 4.740 -0.000 0.000 0.189 50 N C 1.957 177.543 175.510 0.127 0.000 1.154 50 N CA 1.043 54.134 53.050 0.068 0.000 0.907 50 N CB -1.029 37.476 38.487 0.030 0.000 0.977 50 N HN 0.609 nan 8.380 nan 0.000 0.449 51 T N -0.213 114.418 114.554 0.128 0.000 2.685 51 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 51 T C 1.539 176.257 174.700 0.030 0.000 1.034 51 T CA 1.402 63.553 62.100 0.084 0.000 1.149 51 T CB -0.350 68.600 68.868 0.137 0.000 0.860 51 T HN 0.045 nan 8.240 nan 0.000 0.449 52 F N -1.078 118.873 119.950 0.002 0.000 2.559 52 F HA 0.377 4.904 4.527 -0.000 0.000 0.286 52 F C 0.066 175.856 175.800 -0.016 0.000 1.108 52 F CA -0.860 57.108 58.000 -0.053 0.000 1.436 52 F CB 0.446 39.268 39.000 -0.296 0.000 1.130 52 F HN 0.086 nan 8.300 nan 0.000 0.584 53 F N -0.228 119.851 119.950 0.216 0.000 2.483 53 F HA 0.521 5.048 4.527 -0.000 0.000 0.329 53 F C 0.418 176.231 175.800 0.022 0.000 1.064 53 F CA -1.841 56.231 58.000 0.119 0.000 0.986 53 F CB 0.855 39.878 39.000 0.039 0.000 1.218 53 F HN -0.353 nan 8.300 nan 0.000 0.484 54 S N -0.948 114.885 115.700 0.222 0.000 2.473 54 S HA 0.711 5.181 4.470 -0.000 0.000 0.307 54 S C -0.523 174.167 174.600 0.150 0.000 1.094 54 S CA -0.853 57.426 58.200 0.132 0.000 1.070 54 S CB 1.129 64.384 63.200 0.092 0.000 1.019 54 S HN 0.823 nan 8.310 nan 0.000 0.480 55 E N 0.961 121.237 120.200 0.127 0.000 2.316 55 E HA 0.573 4.923 4.350 -0.000 0.000 0.275 55 E C 0.329 177.041 176.600 0.186 0.000 1.029 55 E CA -0.216 56.314 56.400 0.218 0.000 0.871 55 E CB -0.279 29.550 29.700 0.215 0.000 1.022 55 E HN 1.135 nan 8.360 nan 0.000 0.418 56 T N 0.474 115.150 114.554 0.203 0.000 2.934 56 T HA 0.626 4.976 4.350 -0.000 0.000 0.283 56 T C 1.622 176.382 174.700 0.100 0.000 1.005 56 T CA 0.324 62.509 62.100 0.142 0.000 1.041 56 T CB 0.725 69.679 68.868 0.144 0.000 1.042 56 T HN 1.480 nan 8.240 nan 0.000 0.505 57 G N 0.921 109.771 108.800 0.084 0.000 3.087 57 G HA2 0.098 4.058 3.960 -0.000 0.000 0.316 57 G HA3 0.098 4.058 3.960 -0.000 0.000 0.316 57 G C 0.744 175.672 174.900 0.047 0.000 0.941 57 G CA 2.016 47.151 45.100 0.059 0.000 0.798 57 G HN 2.191 nan 8.290 nan 0.000 1.045 58 A N -1.641 121.196 122.820 0.029 0.000 3.277 58 A HA 0.738 5.058 4.320 -0.000 0.000 0.281 58 A C 0.606 178.182 177.584 -0.014 0.000 1.179 58 A CA 1.016 53.061 52.037 0.013 0.000 0.879 58 A CB 0.156 19.164 19.000 0.013 0.000 1.374 58 A HN 2.356 nan 8.150 nan 0.000 0.590 59 G N -0.177 108.598 108.800 -0.041 0.000 3.815 59 G HA2 0.493 4.453 3.960 -0.000 0.000 0.112 59 G HA3 0.493 4.453 3.960 -0.000 0.000 0.112 59 G C 0.664 175.486 174.900 -0.131 0.000 2.124 59 G CA 0.711 45.764 45.100 -0.080 0.000 0.991 59 G HN 1.358 nan 8.290 nan 0.000 0.287 60 K N 0.315 120.687 120.400 -0.046 0.000 2.336 60 K HA 0.518 4.838 4.320 -0.000 0.000 0.262 60 K C 0.712 177.363 176.600 0.086 0.000 0.992 60 K CA 0.697 56.988 56.287 0.007 0.000 0.927 60 K CB -0.061 32.470 32.500 0.050 0.000 0.956 60 K HN 0.538 nan 8.250 nan 0.000 0.495 61 H N -0.318 118.807 119.070 0.092 0.000 2.885 61 H HA 0.171 4.727 4.556 -0.000 0.000 0.260 61 H C 0.325 175.791 175.328 0.229 0.000 0.985 61 H CA 0.166 56.272 56.048 0.097 0.000 1.210 61 H CB 0.281 30.029 29.762 -0.024 0.000 1.466 61 H HN 0.618 nan 8.280 nan 0.000 0.493 62 V N 3.439 123.568 119.914 0.357 0.000 4.015 62 V HA -0.179 3.941 4.120 -0.000 0.000 0.524 62 V C -2.498 173.728 176.094 0.220 0.000 0.686 62 V CA -0.412 62.042 62.300 0.257 0.000 2.034 62 V CB 0.336 32.264 31.823 0.174 0.000 2.413 62 V HN 0.209 nan 8.190 nan 0.000 0.515 63 P HA 0.141 nan 4.420 nan 0.000 0.271 63 P C -0.573 176.517 177.300 -0.349 0.000 1.233 63 P CA -0.096 62.642 63.100 -0.603 0.000 0.789 63 P CB 0.423 31.052 31.700 -1.785 0.000 0.951 64 R N 0.765 121.172 120.500 -0.155 0.000 2.565 64 R HA 0.577 4.917 4.340 -0.000 0.000 0.286 64 R C -0.291 176.000 176.300 -0.014 0.000 1.256 64 R CA -0.189 55.884 56.100 -0.044 0.000 1.238 64 R CB 0.156 30.473 30.300 0.028 0.000 1.153 64 R HN 0.530 nan 8.270 nan 0.000 0.553 65 A N 1.823 124.542 122.820 -0.169 0.000 2.498 65 A HA 0.705 5.025 4.320 -0.000 0.000 0.298 65 A C -0.910 176.660 177.584 -0.022 0.000 1.075 65 A CA -0.681 51.284 52.037 -0.120 0.000 0.714 65 A CB 1.777 20.485 19.000 -0.487 0.000 1.299 65 A HN 0.278 nan 8.150 nan 0.000 0.407 66 V N -0.616 119.340 119.914 0.069 0.000 2.709 66 V HA 0.770 4.890 4.120 -0.000 0.000 0.308 66 V C -1.357 174.889 176.094 0.253 0.000 1.062 66 V CA -0.648 61.740 62.300 0.145 0.000 0.901 66 V CB 1.267 33.123 31.823 0.056 0.000 1.003 66 V HN 0.660 nan 8.190 nan 0.000 0.425 67 F N 2.424 122.407 119.950 0.054 0.000 2.493 67 F HA 0.802 5.329 4.527 -0.000 0.000 0.329 67 F C -0.105 175.728 175.800 0.054 0.000 1.126 67 F CA -1.052 57.009 58.000 0.102 0.000 0.937 67 F CB 2.231 41.286 39.000 0.093 0.000 1.146 67 F HN 0.281 nan 8.300 nan 0.000 0.442 68 V N 3.638 123.657 119.914 0.175 0.000 2.569 68 V HA 0.422 4.542 4.120 -0.000 0.000 0.301 68 V C -1.100 174.986 176.094 -0.013 0.000 1.044 68 V CA -0.648 61.678 62.300 0.044 0.000 0.874 68 V CB 1.944 33.775 31.823 0.013 0.000 1.002 68 V HN 0.746 nan 8.190 nan 0.000 0.424 69 D N 3.142 123.511 120.400 -0.051 0.000 2.645 69 D HA 0.397 5.037 4.640 -0.000 0.000 0.228 69 D C -0.342 175.886 176.300 -0.119 0.000 1.148 69 D CA -0.518 53.439 54.000 -0.072 0.000 0.860 69 D CB 2.740 43.541 40.800 0.001 0.000 1.548 69 D HN 0.296 nan 8.370 nan 0.000 0.460 70 L N 1.637 122.790 121.223 -0.117 0.000 2.611 70 L HA 0.173 4.513 4.340 -0.000 0.000 0.229 70 L C 1.043 177.884 176.870 -0.049 0.000 1.137 70 L CA 0.431 55.209 54.840 -0.104 0.000 0.901 70 L CB -0.479 41.517 42.059 -0.105 0.000 1.098 70 L HN 0.431 nan 8.230 nan 0.000 0.456 71 E N -1.467 118.714 120.200 -0.032 0.000 2.316 71 E HA 0.466 4.816 4.350 -0.000 0.000 0.258 71 E C -2.545 174.046 176.600 -0.015 0.000 0.952 71 E CA -1.819 54.571 56.400 -0.017 0.000 0.818 71 E CB 1.901 31.597 29.700 -0.007 0.000 1.260 71 E HN -0.210 nan 8.360 nan 0.000 0.416 72 P HA 0.109 nan 4.420 nan 0.000 0.223 72 P C 0.250 177.546 177.300 -0.007 0.000 1.128 72 P CA 0.984 64.079 63.100 -0.009 0.000 0.664 72 P CB -0.080 31.614 31.700 -0.010 0.000 0.973 73 T N -0.828 113.721 114.554 -0.008 0.000 13.218 73 T HA -0.289 4.061 4.350 -0.000 0.000 0.419 73 T C 1.558 176.253 174.700 -0.009 0.000 1.441 73 T CA 3.099 65.194 62.100 -0.008 0.000 2.361 73 T CB -2.584 66.281 68.868 -0.005 0.000 2.810 73 T HN 0.099 nan 8.240 nan 0.000 0.629 74 V N 1.967 121.880 119.914 -0.003 0.000 2.278 74 V HA -0.190 3.930 4.120 -0.000 0.000 0.251 74 V C 2.436 178.534 176.094 0.008 0.000 1.062 74 V CA 2.679 64.981 62.300 0.004 0.000 1.038 74 V CB -1.091 30.744 31.823 0.019 0.000 0.646 74 V HN 0.718 nan 8.190 nan 0.000 0.447 75 I N 0.392 120.969 120.570 0.012 0.000 2.584 75 I HA -0.065 4.105 4.170 -0.000 0.000 0.255 75 I C 2.142 178.230 176.117 -0.048 0.000 1.145 75 I CA 1.386 62.687 61.300 0.001 0.000 1.462 75 I CB -0.931 37.087 38.000 0.030 0.000 1.102 75 I HN 0.275 nan 8.210 nan 0.000 0.433 76 D N 1.357 121.736 120.400 -0.035 0.000 2.221 76 D HA -0.213 4.427 4.640 -0.000 0.000 0.204 76 D C 1.991 178.255 176.300 -0.060 0.000 0.982 76 D CA 0.951 54.923 54.000 -0.046 0.000 0.857 76 D CB -0.090 40.691 40.800 -0.031 0.000 0.934 76 D HN 0.202 nan 8.370 nan 0.000 0.475 77 E N 0.297 120.466 120.200 -0.052 0.000 2.070 77 E HA -0.156 4.194 4.350 -0.000 0.000 0.197 77 E C 1.924 178.470 176.600 -0.090 0.000 1.004 77 E CA 0.936 57.303 56.400 -0.055 0.000 0.805 77 E CB -0.209 29.471 29.700 -0.034 0.000 0.744 77 E HN 0.189 nan 8.360 nan 0.000 0.451 78 V N -0.002 119.834 119.914 -0.131 0.000 2.488 78 V HA -0.070 4.050 4.120 -0.000 0.000 0.246 78 V C 2.339 178.282 176.094 -0.252 0.000 1.046 78 V CA 1.743 63.904 62.300 -0.231 0.000 1.053 78 V CB -0.485 31.124 31.823 -0.357 0.000 0.679 78 V HN 0.131 nan 8.190 nan 0.000 0.458 79 R N -0.591 119.794 120.500 -0.191 0.000 2.316 79 R HA -0.041 4.299 4.340 -0.000 0.000 0.202 79 R C 2.208 178.435 176.300 -0.122 0.000 1.029 79 R CA 1.264 57.270 56.100 -0.157 0.000 1.018 79 R CB -0.124 30.111 30.300 -0.108 0.000 0.888 79 R HN 0.502 nan 8.270 nan 0.000 0.471 80 T N -1.143 113.345 114.554 -0.111 0.000 3.082 80 T HA 0.155 4.504 4.350 -0.000 0.000 0.235 80 T C 0.801 175.441 174.700 -0.099 0.000 0.991 80 T CA 0.480 62.527 62.100 -0.089 0.000 1.220 80 T CB 0.028 68.856 68.868 -0.066 0.000 0.909 80 T HN 0.330 nan 8.240 nan 0.000 0.424 81 G N 2.799 111.539 108.800 -0.100 0.000 2.398 81 G HA2 0.379 4.339 3.960 -0.000 0.000 0.246 81 G HA3 0.379 4.339 3.960 -0.000 0.000 0.246 81 G C 0.108 174.912 174.900 -0.159 0.000 1.289 81 G CA -0.170 44.862 45.100 -0.114 0.000 0.869 81 G HN 0.544 nan 8.290 nan 0.000 0.543 82 T N 0.354 114.781 114.554 -0.212 0.000 2.882 82 T HA -0.104 4.246 4.350 -0.000 0.000 0.330 82 T C 0.624 175.101 174.700 -0.373 0.000 1.075 82 T CA 1.183 63.112 62.100 -0.286 0.000 1.129 82 T CB 0.141 68.795 68.868 -0.357 0.000 1.071 82 T HN 0.953 nan 8.240 nan 0.000 0.531 83 Y N -1.556 118.649 120.300 -0.158 0.000 3.722 83 Y HA -0.317 4.232 4.550 -0.000 0.000 0.376 83 Y C 2.191 177.852 175.900 -0.399 0.000 1.345 83 Y CA 0.481 58.428 58.100 -0.255 0.000 1.711 83 Y CB -1.370 36.915 38.460 -0.293 0.000 0.829 83 Y HN 0.672 nan 8.280 nan 0.000 0.398 84 R N 1.356 121.743 120.500 -0.188 0.000 2.228 84 R HA -0.281 4.059 4.340 -0.000 0.000 0.259 84 R C 1.343 177.538 176.300 -0.175 0.000 1.183 84 R CA 2.330 58.301 56.100 -0.214 0.000 1.002 84 R CB -0.145 30.067 30.300 -0.147 0.000 0.879 84 R HN 0.426 nan 8.270 nan 0.000 0.467 85 Q N -0.212 119.522 119.800 -0.110 0.000 2.360 85 Q HA 0.012 4.352 4.340 -0.000 0.000 0.202 85 Q C 1.347 177.348 176.000 0.003 0.000 0.915 85 Q CA 0.254 56.028 55.803 -0.050 0.000 0.943 85 Q CB 0.455 29.178 28.738 -0.024 0.000 1.064 85 Q HN 0.272 nan 8.270 nan 0.000 0.511 86 L N -0.896 120.318 121.223 -0.016 0.000 2.416 86 L HA 0.259 4.599 4.340 -0.000 0.000 0.216 86 L C 0.285 177.423 176.870 0.447 0.000 1.098 86 L CA 0.832 55.778 54.840 0.176 0.000 0.840 86 L CB 0.053 42.225 42.059 0.187 0.000 0.981 86 L HN -0.052 nan 8.230 nan 0.000 0.462 87 F N -1.455 118.439 119.950 -0.093 0.000 2.556 87 F HA 0.268 4.795 4.527 0.000 0.000 0.327 87 F C 0.226 175.988 175.800 -0.064 0.000 1.059 87 F CA -1.356 56.580 58.000 -0.107 0.000 0.953 87 F CB 0.930 39.805 39.000 -0.207 0.000 1.227 87 F HN -0.187 nan 8.300 nan 0.000 0.478 88 H N 3.270 122.416 119.070 0.126 0.000 2.848 88 H HA 0.063 4.619 4.556 -0.000 0.000 0.341 88 H C -1.505 173.860 175.328 0.061 0.000 1.060 88 H CA -0.973 55.113 56.048 0.064 0.000 1.444 88 H CB 1.146 30.928 29.762 0.032 0.000 1.446 88 H HN 0.166 nan 8.280 nan 0.000 0.583 89 P HA -0.138 nan 4.420 nan 0.000 0.231 89 P C 0.276 177.639 177.300 0.105 0.000 1.158 89 P CA 1.114 64.270 63.100 0.092 0.000 0.763 89 P CB 0.372 32.105 31.700 0.056 0.000 0.805 90 E N 0.351 120.638 120.200 0.146 0.000 2.216 90 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 90 E C 1.919 178.555 176.600 0.060 0.000 0.988 90 E CA 0.569 57.017 56.400 0.080 0.000 0.834 90 E CB -0.212 29.507 29.700 0.032 0.000 0.772 90 E HN 0.518 nan 8.360 nan 0.000 0.479 91 Q N 0.424 120.268 119.800 0.074 0.000 2.488 91 Q HA 0.020 4.360 4.340 -0.000 0.000 0.211 91 Q C 0.500 176.562 176.000 0.103 0.000 0.967 91 Q CA 0.498 56.334 55.803 0.054 0.000 0.926 91 Q CB 0.028 28.752 28.738 -0.023 0.000 0.992 91 Q HN 0.233 nan 8.270 nan 0.000 0.506 92 L N 1.830 123.108 121.223 0.092 0.000 2.321 92 L HA 0.422 4.762 4.340 -0.000 0.000 0.272 92 L C -0.589 176.324 176.870 0.072 0.000 1.050 92 L CA -0.496 54.400 54.840 0.094 0.000 0.893 92 L CB 0.807 42.886 42.059 0.032 0.000 1.272 92 L HN 0.096 nan 8.230 nan 0.000 0.435 93 I N 2.562 123.182 120.570 0.084 0.000 2.304 93 I HA 0.187 4.357 4.170 -0.000 0.000 0.291 93 I C 0.357 176.479 176.117 0.007 0.000 1.018 93 I CA 0.190 61.511 61.300 0.034 0.000 1.260 93 I CB 1.349 39.364 38.000 0.024 0.000 1.390 93 I HN 0.555 nan 8.210 nan 0.000 0.475 94 S N 3.765 119.461 115.700 -0.006 0.000 2.532 94 S HA 0.778 5.248 4.470 -0.000 0.000 0.301 94 S C 0.125 174.703 174.600 -0.036 0.000 1.083 94 S CA -0.681 57.506 58.200 -0.021 0.000 1.025 94 S CB 1.971 65.165 63.200 -0.010 0.000 1.056 94 S HN 0.759 nan 8.310 nan 0.000 0.494 95 G N 0.444 109.215 108.800 -0.049 0.000 4.885 95 G HA2 0.390 4.350 3.960 -0.000 0.000 0.263 95 G HA3 0.390 4.350 3.960 -0.000 0.000 0.263 95 G C 0.139 175.018 174.900 -0.036 0.000 1.168 95 G CA -0.439 44.629 45.100 -0.053 0.000 0.906 95 G HN 0.772 nan 8.290 nan 0.000 0.575 96 K N -0.858 119.529 120.400 -0.022 0.000 4.289 96 K HA -0.290 4.030 4.320 -0.000 0.000 0.230 96 K C 0.606 177.201 176.600 -0.008 0.000 0.717 96 K CA 2.079 58.359 56.287 -0.011 0.000 0.703 96 K CB -0.833 31.663 32.500 -0.007 0.000 0.779 96 K HN 0.490 nan 8.250 nan 0.000 0.801 97 E N 2.136 122.334 120.200 -0.003 0.000 2.338 97 E HA 0.092 4.442 4.350 -0.000 0.000 0.272 97 E C -0.555 176.046 176.600 0.002 0.000 1.029 97 E CA -0.009 56.394 56.400 0.005 0.000 0.872 97 E CB 0.954 30.663 29.700 0.015 0.000 1.015 97 E HN 0.302 nan 8.360 nan 0.000 0.417 98 D N 2.677 123.082 120.400 0.008 0.000 2.344 98 D HA 0.157 4.797 4.640 -0.000 0.000 0.244 98 D C 0.114 176.427 176.300 0.022 0.000 1.134 98 D CA 0.245 54.250 54.000 0.008 0.000 0.930 98 D CB 1.339 42.145 40.800 0.010 0.000 1.175 98 D HN 0.498 nan 8.370 nan 0.000 0.437 99 A N 2.277 125.112 122.820 0.026 0.000 2.235 99 A HA 0.334 4.654 4.320 -0.000 0.000 0.208 99 A C 1.395 179.012 177.584 0.056 0.000 1.172 99 A CA 0.977 53.044 52.037 0.050 0.000 0.786 99 A CB -0.824 18.214 19.000 0.063 0.000 0.804 99 A HN 1.041 nan 8.150 nan 0.000 0.479 100 A N -0.147 122.694 122.820 0.035 0.000 2.642 100 A HA -0.270 4.050 4.320 -0.000 0.000 0.307 100 A C 0.829 178.414 177.584 0.003 0.000 1.512 100 A CA 1.095 53.140 52.037 0.013 0.000 0.861 100 A CB -2.088 16.921 19.000 0.015 0.000 0.991 100 A HN 1.049 nan 8.150 nan 0.000 0.449 101 N N -1.725 116.996 118.700 0.035 0.000 2.829 101 N HA -0.184 4.556 4.740 -0.000 0.000 0.250 101 N C -0.618 174.941 175.510 0.081 0.000 1.090 101 N CA 1.439 54.514 53.050 0.042 0.000 0.781 101 N CB -1.302 37.172 38.487 -0.021 0.000 1.124 101 N HN 1.396 nan 8.380 nan 0.000 0.559 102 N N -0.850 117.926 118.700 0.126 0.000 2.369 102 N HA 0.063 4.803 4.740 -0.000 0.000 0.287 102 N C 0.397 176.144 175.510 0.395 0.000 1.067 102 N CA -0.625 52.573 53.050 0.246 0.000 0.888 102 N CB 0.269 38.701 38.487 -0.092 0.000 1.616 102 N HN -0.007 nan 8.380 nan 0.000 0.482 103 Y N 2.829 123.399 120.300 0.449 0.000 2.228 103 Y HA -0.247 4.303 4.550 -0.000 0.000 0.285 103 Y C 2.161 178.284 175.900 0.372 0.000 1.178 103 Y CA 2.671 60.969 58.100 0.330 0.000 1.202 103 Y CB -0.253 38.341 38.460 0.225 0.000 0.974 103 Y HN 0.769 nan 8.280 nan 0.000 0.527 104 A N 0.318 123.528 122.820 0.649 0.000 1.873 104 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 104 A C 2.229 180.015 177.584 0.337 0.000 1.193 104 A CA 2.179 54.569 52.037 0.588 0.000 0.629 104 A CB -0.821 18.570 19.000 0.652 0.000 0.826 104 A HN 0.506 nan 8.150 nan 0.000 0.447 105 R N -0.788 119.858 120.500 0.243 0.000 2.092 105 R HA -0.033 4.307 4.340 -0.000 0.000 0.226 105 R C 2.379 178.751 176.300 0.121 0.000 1.140 105 R CA 2.018 58.219 56.100 0.168 0.000 0.910 105 R CB -1.320 29.058 30.300 0.130 0.000 0.822 105 R HN 0.418 nan 8.270 nan 0.000 0.433 106 G N -0.990 107.868 108.800 0.096 0.000 2.574 106 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.220 106 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.220 106 G C 1.375 176.295 174.900 0.032 0.000 1.173 106 G CA 1.708 46.866 45.100 0.097 0.000 0.772 106 G HN 0.614 nan 8.290 nan 0.000 0.585 107 H N -1.832 117.054 119.070 -0.306 0.000 2.551 107 H HA 0.256 4.811 4.556 -0.000 0.000 0.266 107 H C 1.467 176.523 175.328 -0.454 0.000 0.977 107 H CA 0.921 56.635 56.048 -0.557 0.000 1.163 107 H CB 0.131 29.159 29.762 -1.224 0.000 1.381 107 H HN 0.568 nan 8.280 nan 0.000 0.581 108 Y N -2.826 117.452 120.300 -0.037 0.000 3.280 108 Y HA 0.041 4.591 4.550 -0.000 0.000 0.195 108 Y C 2.241 178.151 175.900 0.015 0.000 0.916 108 Y CA 0.190 58.286 58.100 -0.007 0.000 1.655 108 Y CB 0.350 38.864 38.460 0.090 0.000 1.472 108 Y HN 0.068 nan 8.280 nan 0.000 0.384 109 T N 0.890 115.583 114.554 0.233 0.000 2.995 109 T HA -0.121 4.229 4.350 -0.000 0.000 0.216 109 T C 1.490 176.251 174.700 0.101 0.000 1.000 109 T CA 0.858 63.043 62.100 0.142 0.000 2.118 109 T CB -0.597 68.351 68.868 0.133 0.000 1.401 109 T HN 0.099 nan 8.240 nan 0.000 0.389 110 I N 1.945 122.568 120.570 0.089 0.000 2.850 110 I HA 0.030 4.200 4.170 -0.000 0.000 0.266 110 I C 2.224 178.373 176.117 0.052 0.000 1.257 110 I CA 0.615 61.951 61.300 0.059 0.000 1.465 110 I CB -0.648 37.380 38.000 0.046 0.000 1.091 110 I HN 0.514 nan 8.210 nan 0.000 0.467 111 G N -0.035 108.816 108.800 0.085 0.000 2.424 111 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.214 111 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.214 111 G C 1.639 176.620 174.900 0.135 0.000 1.202 111 G CA 0.635 45.827 45.100 0.152 0.000 0.793 111 G HN 0.391 nan 8.290 nan 0.000 0.534 112 K N 0.408 120.850 120.400 0.070 0.000 2.334 112 K HA -0.268 4.052 4.320 -0.000 0.000 0.204 112 K C 2.064 178.696 176.600 0.053 0.000 1.043 112 K CA 1.982 58.294 56.287 0.042 0.000 0.933 112 K CB -0.112 32.410 32.500 0.037 0.000 0.734 112 K HN 0.307 nan 8.250 nan 0.000 0.479 113 E N -0.108 120.125 120.200 0.055 0.000 2.230 113 E HA 0.013 4.363 4.350 -0.000 0.000 0.192 113 E C 1.244 177.864 176.600 0.034 0.000 0.987 113 E CA 0.582 57.004 56.400 0.036 0.000 0.841 113 E CB 0.229 29.943 29.700 0.024 0.000 0.783 113 E HN 0.359 nan 8.360 nan 0.000 0.481 114 I N -0.289 120.311 120.570 0.049 0.000 4.312 114 I HA 0.095 4.265 4.170 -0.000 0.000 0.324 114 I C 1.578 177.765 176.117 0.116 0.000 1.298 114 I CA -0.091 61.225 61.300 0.027 0.000 1.231 114 I CB 0.131 38.083 38.000 -0.080 0.000 1.152 114 I HN 0.130 nan 8.210 nan 0.000 0.421 115 I N 1.219 121.937 120.570 0.248 0.000 2.236 115 I HA -0.363 3.807 4.170 -0.000 0.000 0.249 115 I C 1.458 177.648 176.117 0.121 0.000 1.102 115 I CA 1.965 63.444 61.300 0.298 0.000 1.365 115 I CB -0.187 37.912 38.000 0.164 0.000 1.051 115 I HN 0.322 nan 8.210 nan 0.000 0.420 116 D N 0.014 120.455 120.400 0.067 0.000 2.277 116 D HA -0.114 4.526 4.640 -0.000 0.000 0.208 116 D C 2.020 178.340 176.300 0.033 0.000 0.962 116 D CA 0.463 54.480 54.000 0.029 0.000 0.865 116 D CB 0.299 41.108 40.800 0.015 0.000 0.939 116 D HN 0.276 nan 8.370 nan 0.000 0.510 117 L N 1.018 122.268 121.223 0.046 0.000 2.127 117 L HA -0.042 4.298 4.340 -0.000 0.000 0.203 117 L C 2.378 179.277 176.870 0.048 0.000 1.080 117 L CA 0.942 55.803 54.840 0.036 0.000 0.768 117 L CB -0.757 41.318 42.059 0.027 0.000 0.924 117 L HN -0.175 nan 8.230 nan 0.000 0.444 118 V N -0.118 119.845 119.914 0.081 0.000 2.220 118 V HA -0.335 3.785 4.120 -0.000 0.000 0.246 118 V C 2.572 178.707 176.094 0.068 0.000 1.049 118 V CA 2.006 64.366 62.300 0.100 0.000 1.003 118 V CB -0.689 31.266 31.823 0.220 0.000 0.634 118 V HN 0.367 nan 8.190 nan 0.000 0.444 119 L N -0.018 121.241 121.223 0.060 0.000 2.270 119 L HA -0.269 4.071 4.340 -0.000 0.000 0.217 119 L C 2.282 179.174 176.870 0.037 0.000 1.107 119 L CA 1.871 56.727 54.840 0.027 0.000 0.772 119 L CB -0.444 41.611 42.059 -0.007 0.000 0.902 119 L HN 0.485 nan 8.230 nan 0.000 0.439 120 D N -0.280 120.139 120.400 0.032 0.000 2.083 120 D HA -0.185 4.455 4.640 -0.000 0.000 0.199 120 D C 2.135 178.458 176.300 0.038 0.000 0.980 120 D CA 1.229 55.247 54.000 0.030 0.000 0.851 120 D CB 0.023 40.835 40.800 0.020 0.000 0.997 120 D HN 0.267 nan 8.370 nan 0.000 0.449 121 R N 0.397 120.915 120.500 0.030 0.000 2.200 121 R HA -0.085 4.255 4.340 -0.000 0.000 0.234 121 R C 2.367 178.685 176.300 0.032 0.000 1.127 121 R CA 0.250 56.362 56.100 0.021 0.000 0.989 121 R CB -0.367 29.941 30.300 0.014 0.000 0.869 121 R HN 0.174 nan 8.270 nan 0.000 0.459 122 V N 1.174 121.114 119.914 0.044 0.000 2.214 122 V HA -0.329 3.790 4.120 -0.000 0.000 0.247 122 V C 2.418 178.584 176.094 0.121 0.000 1.051 122 V CA 2.013 64.345 62.300 0.053 0.000 1.003 122 V CB -0.446 31.391 31.823 0.024 0.000 0.635 122 V HN 0.232 nan 8.190 nan 0.000 0.447 123 R N 0.202 120.812 120.500 0.182 0.000 2.122 123 R HA -0.237 4.103 4.340 -0.000 0.000 0.236 123 R C 2.364 178.734 176.300 0.117 0.000 1.129 123 R CA 2.257 58.487 56.100 0.217 0.000 0.925 123 R CB -0.657 29.743 30.300 0.167 0.000 0.850 123 R HN 0.434 nan 8.270 nan 0.000 0.431 124 K N 0.042 120.482 120.400 0.067 0.000 2.397 124 K HA -0.231 4.089 4.320 -0.000 0.000 0.202 124 K C 1.535 178.145 176.600 0.017 0.000 1.043 124 K CA 1.425 57.729 56.287 0.028 0.000 0.934 124 K CB -0.091 32.410 32.500 0.002 0.000 0.743 124 K HN 0.246 nan 8.250 nan 0.000 0.485 125 L N -1.381 119.863 121.223 0.034 0.000 2.349 125 L HA 0.087 4.426 4.340 -0.000 0.000 0.200 125 L C 2.096 178.981 176.870 0.026 0.000 1.064 125 L CA 0.638 55.491 54.840 0.021 0.000 0.821 125 L CB -0.127 41.945 42.059 0.021 0.000 1.027 125 L HN 0.127 nan 8.230 nan 0.000 0.476 126 A N -0.814 122.032 122.820 0.043 0.000 2.206 126 A HA -0.141 4.179 4.320 -0.000 0.000 0.211 126 A C 1.448 179.048 177.584 0.027 0.000 1.158 126 A CA 1.086 53.128 52.037 0.008 0.000 0.761 126 A CB -0.387 18.590 19.000 -0.038 0.000 0.801 126 A HN 0.312 nan 8.150 nan 0.000 0.473 127 D N 0.076 120.506 120.400 0.050 0.000 2.183 127 D HA -0.020 4.620 4.640 -0.000 0.000 0.203 127 D C 0.585 176.900 176.300 0.027 0.000 0.969 127 D CA 1.053 55.082 54.000 0.048 0.000 0.842 127 D CB -0.016 40.814 40.800 0.049 0.000 0.957 127 D HN 0.718 nan 8.370 nan 0.000 0.484 128 Q N -0.058 119.754 119.800 0.019 0.000 2.430 128 Q HA 0.555 4.895 4.340 -0.000 0.000 0.245 128 Q C -0.851 175.156 176.000 0.010 0.000 1.021 128 Q CA -0.560 55.253 55.803 0.016 0.000 0.867 128 Q CB 1.286 30.035 28.738 0.018 0.000 1.210 128 Q HN 0.040 nan 8.270 nan 0.000 0.487 129 C N 2.411 121.714 119.300 0.004 0.000 2.897 129 C HA 0.057 4.517 4.460 -0.000 0.000 0.335 129 C C -0.604 174.376 174.990 -0.017 0.000 0.931 129 C CA -0.194 58.817 59.018 -0.012 0.000 1.379 129 C CB -0.558 27.165 27.740 -0.028 0.000 1.662 129 C HN 0.900 nan 8.230 nan 0.000 0.396 130 T N 1.294 115.841 114.554 -0.012 0.000 3.162 130 T HA 0.560 4.910 4.350 -0.000 0.000 0.316 130 T C 0.951 175.638 174.700 -0.023 0.000 1.182 130 T CA 0.546 62.639 62.100 -0.011 0.000 1.015 130 T CB 0.741 69.608 68.868 -0.002 0.000 1.089 130 T HN 2.420 nan 8.240 nan 0.000 0.646 131 G N 2.217 110.996 108.800 -0.035 0.000 2.468 131 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.143 131 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.143 131 G C -0.281 174.567 174.900 -0.087 0.000 1.065 131 G CA -0.588 44.482 45.100 -0.050 0.000 0.776 131 G HN 1.008 nan 8.290 nan 0.000 0.486 132 L N 0.299 121.452 121.223 -0.116 0.000 2.559 132 L HA 0.458 4.798 4.340 -0.000 0.000 0.282 132 L C 1.353 178.088 176.870 -0.225 0.000 1.232 132 L CA 1.047 55.769 54.840 -0.196 0.000 0.885 132 L CB 0.863 42.761 42.059 -0.267 0.000 1.131 132 L HN 0.401 nan 8.230 nan 0.000 0.498 133 Q N 4.085 123.732 119.800 -0.254 0.000 2.171 133 Q HA 0.401 4.741 4.340 -0.000 0.000 0.218 133 Q C 0.023 175.844 176.000 -0.299 0.000 0.822 133 Q CA 0.433 56.102 55.803 -0.224 0.000 0.987 133 Q CB 0.657 29.308 28.738 -0.145 0.000 1.144 133 Q HN 1.002 nan 8.270 nan 0.000 0.494 134 G N 0.297 108.801 108.800 -0.494 0.000 2.357 134 G HA2 0.166 4.126 3.960 -0.000 0.000 0.289 134 G HA3 0.166 4.126 3.960 -0.000 0.000 0.289 134 G C -1.742 172.737 174.900 -0.701 0.000 1.302 134 G CA -0.925 43.784 45.100 -0.652 0.000 0.936 134 G HN 0.087 nan 8.290 nan 0.000 0.513 135 F N -0.362 119.528 119.950 -0.100 0.000 2.532 135 F HA 0.713 5.240 4.527 0.000 0.000 0.321 135 F C 0.346 176.137 175.800 -0.016 0.000 1.089 135 F CA -0.932 57.023 58.000 -0.075 0.000 0.926 135 F CB 2.359 41.317 39.000 -0.070 0.000 1.168 135 F HN 0.246 nan 8.300 nan 0.000 0.459 136 L N 4.166 125.535 121.223 0.244 0.000 2.301 136 L HA 0.456 4.796 4.340 -0.000 0.000 0.278 136 L C -0.969 175.997 176.870 0.161 0.000 1.022 136 L CA -0.693 54.262 54.840 0.190 0.000 0.854 136 L CB 1.348 43.531 42.059 0.207 0.000 1.226 136 L HN 0.336 nan 8.230 nan 0.000 0.429 137 V N 4.026 124.022 119.914 0.137 0.000 2.364 137 V HA 0.344 4.464 4.120 -0.000 0.000 0.272 137 V C -0.218 176.001 176.094 0.208 0.000 1.036 137 V CA -0.285 62.111 62.300 0.160 0.000 0.880 137 V CB 1.115 33.015 31.823 0.128 0.000 0.991 137 V HN 0.308 nan 8.190 nan 0.000 0.460 138 F N 5.729 125.717 119.950 0.063 0.000 2.408 138 F HA 0.670 5.197 4.527 -0.000 0.000 0.344 138 F C 0.550 176.480 175.800 0.215 0.000 1.112 138 F CA -0.326 57.750 58.000 0.127 0.000 1.096 138 F CB 0.927 39.985 39.000 0.097 0.000 1.129 138 F HN 0.680 nan 8.300 nan 0.000 0.486 139 H N -1.438 117.777 119.070 0.242 0.000 3.037 139 H HA 0.392 4.948 4.556 -0.000 0.000 0.336 139 H C -1.500 173.914 175.328 0.144 0.000 1.323 139 H CA -1.247 54.909 56.048 0.180 0.000 1.159 139 H CB 0.654 30.509 29.762 0.155 0.000 1.882 139 H HN 0.433 nan 8.280 nan 0.000 0.535 140 S N 0.950 116.777 115.700 0.211 0.000 2.564 140 S HA 0.140 4.610 4.470 -0.000 0.000 0.278 140 S C 1.013 175.795 174.600 0.304 0.000 1.333 140 S CA -0.679 57.629 58.200 0.180 0.000 1.048 140 S CB 0.714 64.025 63.200 0.184 0.000 0.900 140 S HN 0.546 nan 8.310 nan 0.000 0.505 141 F N 2.001 122.030 119.950 0.133 0.000 2.060 141 F HA 0.120 4.647 4.527 -0.000 0.000 0.295 141 F C 1.778 177.683 175.800 0.175 0.000 1.120 141 F CA 0.788 58.891 58.000 0.172 0.000 1.205 141 F CB -0.255 38.804 39.000 0.098 0.000 0.986 141 F HN 0.756 nan 8.300 nan 0.000 0.470 142 G N -0.863 108.145 108.800 0.346 0.000 2.491 142 G HA2 0.479 4.439 3.960 -0.000 0.000 0.327 142 G HA3 0.479 4.439 3.960 -0.000 0.000 0.327 142 G C -0.645 174.374 174.900 0.199 0.000 1.189 142 G CA 0.005 45.232 45.100 0.210 0.000 0.956 142 G HN 0.685 nan 8.290 nan 0.000 0.491 143 G N -1.618 107.288 108.800 0.177 0.000 2.690 143 G HA2 0.354 4.314 3.960 -0.000 0.000 0.686 143 G HA3 0.354 4.314 3.960 -0.000 0.000 0.686 143 G C 1.005 176.019 174.900 0.190 0.000 1.277 143 G CA 0.052 45.243 45.100 0.153 0.000 0.799 143 G HN 1.793 nan 8.290 nan 0.000 0.613 144 G N -0.039 108.851 108.800 0.151 0.000 2.992 144 G HA2 0.059 4.019 3.960 -0.000 0.000 0.199 144 G HA3 0.059 4.019 3.960 -0.000 0.000 0.199 144 G C 2.172 177.179 174.900 0.178 0.000 1.380 144 G CA 3.471 48.663 45.100 0.153 0.000 0.776 144 G HN 2.430 nan 8.290 nan 0.000 0.757 145 T N -1.434 113.206 114.554 0.143 0.000 3.035 145 T HA 0.176 4.526 4.350 -0.000 0.000 0.268 145 T C 2.340 177.174 174.700 0.224 0.000 1.109 145 T CA 1.563 63.760 62.100 0.162 0.000 1.119 145 T CB -0.381 68.529 68.868 0.069 0.000 0.900 145 T HN 0.545 nan 8.240 nan 0.000 0.503 146 G N 1.328 110.261 108.800 0.221 0.000 2.432 146 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.219 146 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.219 146 G C 1.877 176.972 174.900 0.325 0.000 1.135 146 G CA 1.182 46.452 45.100 0.283 0.000 0.767 146 G HN 0.718 nan 8.290 nan 0.000 0.550 147 S N -0.092 115.799 115.700 0.318 0.000 2.452 147 S HA 0.225 4.695 4.470 -0.000 0.000 0.225 147 S C 2.402 177.213 174.600 0.352 0.000 1.057 147 S CA 0.989 59.406 58.200 0.361 0.000 0.949 147 S CB -0.528 62.914 63.200 0.404 0.000 0.836 147 S HN 0.372 nan 8.310 nan 0.000 0.518 148 G N 1.373 110.344 108.800 0.284 0.000 2.464 148 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.214 148 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.214 148 G C 1.233 176.170 174.900 0.061 0.000 1.218 148 G CA 0.749 45.871 45.100 0.038 0.000 0.794 148 G HN 0.426 nan 8.290 nan 0.000 0.542 149 F N 1.788 121.730 119.950 -0.013 0.000 2.051 149 F HA -0.116 4.411 4.527 0.000 0.000 0.296 149 F C 3.036 178.820 175.800 -0.027 0.000 1.122 149 F CA 2.278 60.258 58.000 -0.033 0.000 1.201 149 F CB -0.539 38.453 39.000 -0.014 0.000 0.978 149 F HN 0.160 nan 8.300 nan 0.000 0.472 150 T N -0.324 114.257 114.554 0.045 0.000 2.567 150 T HA -0.394 3.956 4.350 -0.000 0.000 0.261 150 T C 2.102 176.679 174.700 -0.205 0.000 1.123 150 T CA 2.076 64.089 62.100 -0.145 0.000 1.166 150 T CB -1.104 67.605 68.868 -0.265 0.000 0.860 150 T HN 0.386 nan 8.240 nan 0.000 0.436 151 S N 0.473 116.134 115.700 -0.066 0.000 2.365 151 S HA -0.146 4.324 4.470 -0.000 0.000 0.221 151 S C 1.962 176.546 174.600 -0.027 0.000 1.037 151 S CA 1.579 59.791 58.200 0.021 0.000 1.060 151 S CB -0.687 62.622 63.200 0.183 0.000 0.974 151 S HN 0.340 nan 8.310 nan 0.000 0.427 152 L N 1.968 123.183 121.223 -0.014 0.000 2.051 152 L HA -0.096 4.244 4.340 -0.000 0.000 0.214 152 L C 2.184 178.796 176.870 -0.430 0.000 1.076 152 L CA 1.697 56.360 54.840 -0.295 0.000 0.758 152 L CB -0.925 40.825 42.059 -0.515 0.000 0.890 152 L HN 0.414 nan 8.230 nan 0.000 0.433 153 L N -1.358 119.492 121.223 -0.622 0.000 1.955 153 L HA -0.279 4.061 4.340 -0.000 0.000 0.213 153 L C 2.573 179.243 176.870 -0.333 0.000 1.072 153 L CA 2.255 56.749 54.840 -0.578 0.000 0.755 153 L CB -0.473 41.236 42.059 -0.583 0.000 0.888 153 L HN 0.342 nan 8.230 nan 0.000 0.432 154 M N -0.352 119.093 119.600 -0.258 0.000 2.089 154 M HA -0.275 4.205 4.480 -0.000 0.000 0.257 154 M C 2.036 178.176 176.300 -0.268 0.000 1.071 154 M CA 1.706 56.904 55.300 -0.169 0.000 1.096 154 M CB -1.403 31.151 32.600 -0.077 0.000 1.330 154 M HN 0.326 nan 8.290 nan 0.000 0.403 155 E N -0.448 119.543 120.200 -0.348 0.000 2.070 155 E HA -0.255 4.095 4.350 -0.000 0.000 0.197 155 E C 2.222 178.550 176.600 -0.453 0.000 1.004 155 E CA 1.562 57.586 56.400 -0.627 0.000 0.805 155 E CB -0.302 29.215 29.700 -0.306 0.000 0.744 155 E HN 0.450 nan 8.360 nan 0.000 0.451 156 R N 0.529 120.856 120.500 -0.289 0.000 2.090 156 R HA -0.027 4.313 4.340 -0.000 0.000 0.228 156 R C 2.544 178.757 176.300 -0.145 0.000 1.110 156 R CA 0.499 56.475 56.100 -0.207 0.000 0.973 156 R CB -0.041 30.141 30.300 -0.196 0.000 0.869 156 R HN 0.107 nan 8.270 nan 0.000 0.440 157 L N -0.085 121.076 121.223 -0.104 0.000 1.989 157 L HA -0.182 4.158 4.340 -0.000 0.000 0.211 157 L C 1.962 178.901 176.870 0.115 0.000 1.071 157 L CA 1.589 56.469 54.840 0.067 0.000 0.749 157 L CB -0.750 41.352 42.059 0.072 0.000 0.890 157 L HN 0.199 nan 8.230 nan 0.000 0.431 158 S N -0.577 115.144 115.700 0.036 0.000 2.559 158 S HA -0.082 4.388 4.470 -0.000 0.000 0.250 158 S C 1.639 176.249 174.600 0.017 0.000 0.977 158 S CA 0.626 58.859 58.200 0.055 0.000 0.958 158 S CB -0.204 63.024 63.200 0.047 0.000 0.751 158 S HN 0.232 nan 8.310 nan 0.000 0.534 159 V N 0.622 120.514 119.914 -0.036 0.000 2.870 159 V HA 0.064 4.184 4.120 -0.000 0.000 0.232 159 V C 1.429 177.457 176.094 -0.110 0.000 1.161 159 V CA 0.665 62.926 62.300 -0.066 0.000 1.204 159 V CB -0.520 31.245 31.823 -0.096 0.000 1.003 159 V HN 0.230 nan 8.190 nan 0.000 0.499 160 D N -0.396 119.875 120.400 -0.215 0.000 2.350 160 D HA -0.058 4.582 4.640 -0.000 0.000 0.216 160 D C -0.133 175.779 176.300 -0.647 0.000 0.968 160 D CA 1.137 54.868 54.000 -0.447 0.000 0.894 160 D CB -0.115 40.330 40.800 -0.590 0.000 0.909 160 D HN 0.615 nan 8.370 nan 0.000 0.520 161 Y N -1.045 119.288 120.300 0.054 0.000 2.628 161 Y HA 0.401 4.951 4.550 -0.000 0.000 0.354 161 Y C 1.501 177.422 175.900 0.035 0.000 1.061 161 Y CA -1.032 57.103 58.100 0.058 0.000 1.251 161 Y CB 1.272 39.809 38.460 0.128 0.000 1.098 161 Y HN -0.189 nan 8.280 nan 0.000 0.626 162 G N 2.283 111.151 108.800 0.113 0.000 2.679 162 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.217 162 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.217 162 G C 1.377 176.319 174.900 0.069 0.000 1.267 162 G CA 1.510 46.654 45.100 0.073 0.000 0.799 162 G HN 0.455 nan 8.290 nan 0.000 0.606 163 K N 1.231 121.660 120.400 0.048 0.000 1.992 163 K HA -0.038 4.282 4.320 -0.000 0.000 0.227 163 K C 0.848 177.448 176.600 -0.000 0.000 1.016 163 K CA 1.035 57.331 56.287 0.015 0.000 1.059 163 K CB -0.677 31.822 32.500 -0.001 0.000 0.752 163 K HN 0.260 nan 8.250 nan 0.000 0.449 164 K N 2.335 122.707 120.400 -0.046 0.000 2.403 164 K HA -0.153 4.167 4.320 -0.000 0.000 0.244 164 K C -0.022 176.521 176.600 -0.095 0.000 1.095 164 K CA 0.825 57.026 56.287 -0.144 0.000 1.146 164 K CB -1.498 30.811 32.500 -0.318 0.000 0.784 164 K HN 0.609 nan 8.250 nan 0.000 0.504 165 S N 2.414 118.061 115.700 -0.088 0.000 2.608 165 S HA 0.392 4.862 4.470 -0.000 0.000 0.261 165 S C -0.179 174.413 174.600 -0.013 0.000 1.314 165 S CA -0.457 57.721 58.200 -0.037 0.000 0.992 165 S CB 1.144 64.321 63.200 -0.039 0.000 0.935 165 S HN 0.498 nan 8.310 nan 0.000 0.564 166 K N 0.309 120.724 120.400 0.025 0.000 2.443 166 K HA 0.583 4.903 4.320 -0.000 0.000 0.252 166 K C -1.809 174.801 176.600 0.017 0.000 0.933 166 K CA -0.425 55.908 56.287 0.077 0.000 0.792 166 K CB 1.649 34.220 32.500 0.118 0.000 1.185 166 K HN 0.374 nan 8.250 nan 0.000 0.425 167 L N 3.276 124.528 121.223 0.049 0.000 2.316 167 L HA 0.280 4.620 4.340 -0.000 0.000 0.280 167 L C -0.475 176.422 176.870 0.045 0.000 1.006 167 L CA -0.319 54.515 54.840 -0.010 0.000 0.836 167 L CB 1.328 43.441 42.059 0.090 0.000 1.221 167 L HN 0.611 nan 8.230 nan 0.000 0.418 168 E N 2.408 122.581 120.200 -0.045 0.000 2.249 168 E HA 0.419 4.769 4.350 -0.000 0.000 0.280 168 E C -1.251 175.318 176.600 -0.052 0.000 1.016 168 E CA -0.475 55.958 56.400 0.056 0.000 0.830 168 E CB 0.981 30.792 29.700 0.185 0.000 1.081 168 E HN 0.230 nan 8.360 nan 0.000 0.395 169 F N 2.219 122.044 119.950 -0.207 0.000 2.332 169 F HA 0.271 4.798 4.527 -0.000 0.000 0.368 169 F C -0.193 175.418 175.800 -0.316 0.000 1.110 169 F CA -0.472 57.395 58.000 -0.221 0.000 1.087 169 F CB 1.623 40.340 39.000 -0.471 0.000 1.235 169 F HN 0.362 nan 8.300 nan 0.000 0.470 170 S N 4.041 119.598 115.700 -0.238 0.000 2.475 170 S HA 0.579 5.049 4.470 -0.000 0.000 0.298 170 S C -0.358 174.113 174.600 -0.215 0.000 1.119 170 S CA -0.500 57.370 58.200 -0.550 0.000 1.085 170 S CB 1.098 63.684 63.200 -1.024 0.000 1.028 170 S HN 0.279 nan 8.310 nan 0.000 0.489 171 I N 3.872 124.372 120.570 -0.116 0.000 2.276 171 I HA 0.172 4.342 4.170 -0.000 0.000 0.290 171 I C -0.241 176.030 176.117 0.257 0.000 1.109 171 I CA -0.489 60.871 61.300 0.100 0.000 1.229 171 I CB -0.563 37.507 38.000 0.117 0.000 1.452 171 I HN 0.578 nan 8.210 nan 0.000 0.497 172 Y N 8.982 129.427 120.300 0.242 0.000 2.650 172 Y HA 0.279 4.829 4.550 0.000 0.000 0.331 172 Y C -2.290 173.712 175.900 0.170 0.000 1.165 172 Y CA -2.553 55.778 58.100 0.385 0.000 1.473 172 Y CB 0.271 38.924 38.460 0.321 0.000 1.224 172 Y HN 0.420 nan 8.280 nan 0.000 0.533 173 P HA 0.337 nan 4.420 nan 0.000 0.293 173 P C -1.368 175.878 177.300 -0.089 0.000 1.313 173 P CA -0.271 62.798 63.100 -0.052 0.000 0.787 173 P CB 1.119 32.779 31.700 -0.067 0.000 0.910 174 A N 6.401 129.243 122.820 0.036 0.000 2.309 174 A HA 0.497 4.817 4.320 -0.000 0.000 0.298 174 A C -1.279 176.275 177.584 -0.050 0.000 1.165 174 A CA -1.601 50.446 52.037 0.017 0.000 0.821 174 A CB -0.406 18.597 19.000 0.004 0.000 1.102 174 A HN 0.354 nan 8.150 nan 0.000 0.500 175 P HA -0.370 nan 4.420 nan 0.000 0.224 175 P C 1.561 178.806 177.300 -0.091 0.000 1.130 175 P CA 2.487 65.543 63.100 -0.074 0.000 0.976 175 P CB -0.028 31.631 31.700 -0.067 0.000 0.781 176 Q N -0.147 119.564 119.800 -0.148 0.000 2.020 176 Q HA -0.063 4.277 4.340 -0.000 0.000 0.198 176 Q C 0.966 176.890 176.000 -0.126 0.000 0.974 176 Q CA 1.452 57.158 55.803 -0.162 0.000 0.829 176 Q CB -1.486 27.096 28.738 -0.260 0.000 0.894 176 Q HN 0.135 nan 8.270 nan 0.000 0.433 177 V N 3.115 122.934 119.914 -0.158 0.000 2.357 177 V HA -0.004 4.116 4.120 -0.000 0.000 0.239 177 V C 0.246 176.362 176.094 0.036 0.000 1.168 177 V CA -0.016 62.253 62.300 -0.052 0.000 1.262 177 V CB -1.093 30.738 31.823 0.014 0.000 1.314 177 V HN 0.253 nan 8.190 nan 0.000 0.486 178 S N 3.390 119.108 115.700 0.030 0.000 4.045 178 S HA -0.152 4.318 4.470 -0.000 0.000 0.208 178 S C 1.381 176.026 174.600 0.075 0.000 0.369 178 S CA 0.918 59.157 58.200 0.064 0.000 1.395 178 S CB -0.508 62.756 63.200 0.107 0.000 1.660 178 S HN 1.132 nan 8.310 nan 0.000 0.307 179 T N 0.783 115.349 114.554 0.020 0.000 4.953 179 T HA 0.701 5.051 4.350 -0.000 0.000 0.320 179 T C 0.334 175.024 174.700 -0.016 0.000 1.042 179 T CA -0.108 61.992 62.100 0.001 0.000 1.089 179 T CB 0.291 69.135 68.868 -0.040 0.000 1.879 179 T HN 1.484 nan 8.240 nan 0.000 0.417 180 A N -0.777 122.008 122.820 -0.057 0.000 1.668 180 A HA 0.524 4.844 4.320 -0.000 0.000 0.256 180 A C 0.754 178.244 177.584 -0.158 0.000 0.976 180 A CA -0.332 51.652 52.037 -0.088 0.000 0.862 180 A CB -0.360 18.601 19.000 -0.067 0.000 0.979 180 A HN 1.275 nan 8.150 nan 0.000 0.330 181 V N 1.981 121.776 119.914 -0.199 0.000 1.413 181 V HA -0.461 3.659 4.120 -0.000 0.000 0.120 181 V C 2.520 178.351 176.094 -0.439 0.000 1.117 181 V CA 3.462 65.554 62.300 -0.347 0.000 2.647 181 V CB -1.699 29.856 31.823 -0.448 0.000 0.775 181 V HN 2.226 nan 8.190 nan 0.000 0.416 182 V N -0.169 119.466 119.914 -0.466 0.000 3.241 182 V HA -0.182 3.938 4.120 -0.000 0.000 0.269 182 V C 2.140 178.134 176.094 -0.167 0.000 1.151 182 V CA 2.758 64.798 62.300 -0.434 0.000 1.158 182 V CB -0.343 31.335 31.823 -0.241 0.000 0.764 182 V HN 0.729 nan 8.190 nan 0.000 0.508 183 E N 0.843 120.968 120.200 -0.124 0.000 2.048 183 E HA -0.174 4.176 4.350 -0.000 0.000 0.202 183 E C 0.028 176.633 176.600 0.008 0.000 1.021 183 E CA 2.701 59.083 56.400 -0.029 0.000 0.825 183 E CB -1.174 28.487 29.700 -0.065 0.000 0.756 183 E HN 0.555 nan 8.360 nan 0.000 0.454 184 P HA -0.256 nan 4.420 nan 0.000 0.218 184 P C 0.858 178.320 177.300 0.271 0.000 1.165 184 P CA 1.770 64.918 63.100 0.080 0.000 0.922 184 P CB -0.292 31.460 31.700 0.087 0.000 0.794 185 Y N -1.088 119.270 120.300 0.097 0.000 2.102 185 Y HA -0.307 4.243 4.550 -0.000 0.000 0.280 185 Y C 2.421 178.299 175.900 -0.036 0.000 1.178 185 Y CA 0.739 58.887 58.100 0.081 0.000 1.146 185 Y CB -0.753 37.773 38.460 0.110 0.000 0.968 185 Y HN 0.021 nan 8.280 nan 0.000 0.504 186 N N -0.120 118.721 118.700 0.234 0.000 2.084 186 N HA -0.144 4.596 4.740 -0.000 0.000 0.190 186 N C 1.897 177.449 175.510 0.069 0.000 1.030 186 N CA 1.709 54.872 53.050 0.189 0.000 0.849 186 N CB -0.538 38.111 38.487 0.270 0.000 1.012 186 N HN 0.250 nan 8.380 nan 0.000 0.423 187 S N 1.062 116.784 115.700 0.037 0.000 2.368 187 S HA -0.016 4.453 4.470 -0.000 0.000 0.224 187 S C 1.966 176.472 174.600 -0.156 0.000 1.029 187 S CA 0.641 58.798 58.200 -0.071 0.000 0.988 187 S CB -0.173 62.814 63.200 -0.355 0.000 0.838 187 S HN 0.178 nan 8.310 nan 0.000 0.462 188 I N 1.862 122.334 120.570 -0.162 0.000 2.315 188 I HA -0.056 4.114 4.170 -0.000 0.000 0.248 188 I C 2.283 178.193 176.117 -0.345 0.000 1.117 188 I CA 0.786 61.925 61.300 -0.268 0.000 1.404 188 I CB -1.529 36.264 38.000 -0.346 0.000 1.071 188 I HN 0.253 nan 8.210 nan 0.000 0.419 189 L N 0.193 121.165 121.223 -0.419 0.000 1.943 189 L HA -0.284 4.056 4.340 -0.000 0.000 0.215 189 L C 2.716 179.165 176.870 -0.702 0.000 1.074 189 L CA 2.177 56.589 54.840 -0.712 0.000 0.759 189 L CB -0.705 40.742 42.059 -1.020 0.000 0.888 189 L HN 0.208 nan 8.230 nan 0.000 0.433 190 T N -1.922 112.305 114.554 -0.545 0.000 2.684 190 T HA -0.251 4.099 4.350 -0.000 0.000 0.267 190 T C 1.814 176.506 174.700 -0.013 0.000 1.036 190 T CA 2.136 64.136 62.100 -0.167 0.000 1.148 190 T CB -0.133 68.851 68.868 0.193 0.000 0.863 190 T HN 0.320 nan 8.240 nan 0.000 0.436 191 T N -0.144 114.462 114.554 0.088 0.000 2.962 191 T HA -0.107 4.243 4.350 -0.000 0.000 0.270 191 T C 1.615 176.340 174.700 0.043 0.000 1.088 191 T CA 1.492 63.716 62.100 0.207 0.000 1.127 191 T CB -0.324 68.767 68.868 0.371 0.000 0.883 191 T HN 0.612 nan 8.240 nan 0.000 0.493 192 H N 1.099 120.064 119.070 -0.174 0.000 2.307 192 H HA 0.026 4.582 4.556 -0.000 0.000 0.303 192 H C 2.047 177.295 175.328 -0.134 0.000 1.073 192 H CA 2.289 58.218 56.048 -0.199 0.000 1.338 192 H CB -0.635 28.962 29.762 -0.274 0.000 1.389 192 H HN 0.263 nan 8.280 nan 0.000 0.503 193 T N -1.386 112.835 114.554 -0.555 0.000 3.085 193 T HA -0.031 4.319 4.350 -0.000 0.000 0.263 193 T C 1.829 176.435 174.700 -0.158 0.000 1.127 193 T CA 1.117 62.892 62.100 -0.541 0.000 1.103 193 T CB -0.266 68.368 68.868 -0.389 0.000 0.921 193 T HN 0.339 nan 8.240 nan 0.000 0.510 194 T N 2.243 116.758 114.554 -0.065 0.000 2.894 194 T HA 0.168 4.518 4.350 -0.000 0.000 0.258 194 T C 1.844 176.559 174.700 0.025 0.000 1.043 194 T CA 0.507 62.640 62.100 0.054 0.000 1.141 194 T CB -0.292 68.641 68.868 0.109 0.000 0.873 194 T HN 0.534 nan 8.240 nan 0.000 0.449 195 L N 0.841 122.056 121.223 -0.014 0.000 2.376 195 L HA 0.102 4.442 4.340 -0.000 0.000 0.219 195 L C 1.702 178.513 176.870 -0.099 0.000 1.133 195 L CA 1.432 56.273 54.840 0.001 0.000 0.816 195 L CB -0.485 41.620 42.059 0.077 0.000 0.933 195 L HN 0.248 nan 8.230 nan 0.000 0.449 196 E N -1.261 118.802 120.200 -0.228 0.000 2.474 196 E HA -0.044 4.306 4.350 -0.000 0.000 0.194 196 E C 1.022 177.440 176.600 -0.303 0.000 1.041 196 E CA 0.580 56.808 56.400 -0.286 0.000 0.874 196 E CB -0.253 29.239 29.700 -0.347 0.000 0.914 196 E HN 0.670 nan 8.360 nan 0.000 0.498 197 H N -0.475 118.575 119.070 -0.032 0.000 2.622 197 H HA 0.315 4.871 4.556 -0.000 0.000 0.269 197 H C 0.057 175.374 175.328 -0.019 0.000 0.977 197 H CA -0.223 55.812 56.048 -0.021 0.000 1.179 197 H CB 0.854 30.603 29.762 -0.022 0.000 1.458 197 H HN -0.082 nan 8.280 nan 0.000 0.531 198 S N 0.179 115.905 115.700 0.044 0.000 2.578 198 S HA 0.064 4.534 4.470 -0.000 0.000 0.283 198 S C 0.185 174.741 174.600 -0.073 0.000 1.195 198 S CA -0.551 57.642 58.200 -0.012 0.000 1.050 198 S CB 1.446 64.624 63.200 -0.038 0.000 1.012 198 S HN 0.298 nan 8.310 nan 0.000 0.511 199 D N 0.368 120.715 120.400 -0.088 0.000 2.323 199 D HA 0.163 4.803 4.640 -0.000 0.000 0.218 199 D C 0.375 176.558 176.300 -0.194 0.000 0.973 199 D CA 0.435 54.369 54.000 -0.111 0.000 0.890 199 D CB 0.411 41.169 40.800 -0.069 0.000 1.011 199 D HN 0.472 nan 8.370 nan 0.000 0.499 200 C N -0.121 119.016 119.300 -0.272 0.000 3.082 200 C HA 0.838 5.298 4.460 -0.000 0.000 0.324 200 C C -1.801 172.833 174.990 -0.592 0.000 1.210 200 C CA -0.566 58.193 59.018 -0.432 0.000 1.366 200 C CB 0.903 28.407 27.740 -0.393 0.000 1.756 200 C HN 0.194 nan 8.230 nan 0.000 0.485 201 A N 3.638 125.995 122.820 -0.771 0.000 2.414 201 A HA 0.725 5.045 4.320 -0.000 0.000 0.286 201 A C -1.154 176.129 177.584 -0.501 0.000 1.073 201 A CA -0.284 51.374 52.037 -0.630 0.000 0.727 201 A CB 0.423 19.149 19.000 -0.456 0.000 1.215 201 A HN 0.842 nan 8.150 nan 0.000 0.430 202 F N 2.850 122.618 119.950 -0.304 0.000 2.406 202 F HA 0.328 4.855 4.527 -0.000 0.000 0.358 202 F C 0.751 176.437 175.800 -0.189 0.000 1.161 202 F CA -0.056 57.748 58.000 -0.327 0.000 1.185 202 F CB 0.830 39.372 39.000 -0.762 0.000 1.421 202 F HN 0.514 nan 8.300 nan 0.000 0.576 203 M N 3.314 122.984 119.600 0.117 0.000 2.217 203 M HA 0.352 4.832 4.480 -0.000 0.000 0.354 203 M C -0.939 175.400 176.300 0.064 0.000 1.225 203 M CA -0.203 55.144 55.300 0.079 0.000 1.137 203 M CB 0.834 33.490 32.600 0.094 0.000 1.576 203 M HN 0.182 nan 8.290 nan 0.000 0.461 204 V N 4.305 124.265 119.914 0.077 0.000 2.357 204 V HA 0.173 4.293 4.120 -0.000 0.000 0.281 204 V C -0.421 175.750 176.094 0.128 0.000 1.015 204 V CA -0.999 61.355 62.300 0.091 0.000 0.827 204 V CB 1.363 33.257 31.823 0.117 0.000 1.018 204 V HN 0.747 nan 8.190 nan 0.000 0.432 205 D N 3.836 124.282 120.400 0.076 0.000 2.351 205 D HA 0.106 4.746 4.640 -0.000 0.000 0.251 205 D C 0.934 177.323 176.300 0.148 0.000 1.137 205 D CA 0.339 54.416 54.000 0.129 0.000 0.879 205 D CB 1.032 41.792 40.800 -0.066 0.000 1.181 205 D HN 0.490 nan 8.370 nan 0.000 0.448 206 N N 2.978 121.794 118.700 0.194 0.000 2.080 206 N HA -0.178 4.562 4.740 -0.000 0.000 0.189 206 N C 1.308 176.901 175.510 0.138 0.000 1.036 206 N CA 0.801 53.948 53.050 0.163 0.000 0.846 206 N CB 0.092 38.677 38.487 0.164 0.000 1.015 206 N HN 0.624 nan 8.380 nan 0.000 0.423 207 E N 1.034 121.280 120.200 0.077 0.000 2.103 207 E HA -0.311 4.039 4.350 -0.000 0.000 0.229 207 E C 1.877 178.552 176.600 0.125 0.000 1.061 207 E CA 2.191 58.607 56.400 0.026 0.000 0.916 207 E CB -0.229 29.473 29.700 0.002 0.000 0.806 207 E HN 0.373 nan 8.360 nan 0.000 0.489 208 A N 0.438 123.311 122.820 0.088 0.000 1.958 208 A HA -0.242 4.078 4.320 -0.000 0.000 0.221 208 A C 2.130 179.780 177.584 0.111 0.000 1.178 208 A CA 1.960 54.048 52.037 0.085 0.000 0.642 208 A CB -0.700 18.326 19.000 0.045 0.000 0.816 208 A HN 0.398 nan 8.150 nan 0.000 0.453 209 I N -1.923 118.724 120.570 0.128 0.000 2.277 209 I HA -0.161 4.009 4.170 -0.000 0.000 0.243 209 I C 2.410 178.615 176.117 0.147 0.000 1.094 209 I CA 1.450 62.822 61.300 0.121 0.000 1.393 209 I CB -1.728 36.344 38.000 0.120 0.000 1.078 209 I HN 0.576 nan 8.210 nan 0.000 0.417 210 Y N 2.704 123.024 120.300 0.033 0.000 2.114 210 Y HA -0.300 4.250 4.550 -0.000 0.000 0.282 210 Y C 2.202 178.109 175.900 0.011 0.000 1.165 210 Y CA 1.845 59.955 58.100 0.016 0.000 1.148 210 Y CB -0.576 37.891 38.460 0.013 0.000 0.972 210 Y HN 0.172 nan 8.280 nan 0.000 0.504 211 D N 0.344 120.947 120.400 0.340 0.000 2.104 211 D HA -0.195 4.445 4.640 -0.000 0.000 0.194 211 D C 2.200 178.536 176.300 0.060 0.000 0.994 211 D CA 1.845 55.970 54.000 0.207 0.000 0.830 211 D CB -0.432 40.471 40.800 0.171 0.000 0.959 211 D HN 0.424 nan 8.370 nan 0.000 0.452 212 I N 0.473 121.077 120.570 0.058 0.000 2.335 212 I HA -0.262 3.908 4.170 -0.000 0.000 0.251 212 I C 2.329 178.439 176.117 -0.012 0.000 1.129 212 I CA 0.805 62.122 61.300 0.028 0.000 1.402 212 I CB -0.107 37.918 38.000 0.041 0.000 1.069 212 I HN 0.092 nan 8.210 nan 0.000 0.424 213 C N -0.087 119.186 119.300 -0.045 0.000 2.457 213 C HA -0.079 4.381 4.460 -0.000 0.000 0.278 213 C C 2.768 177.681 174.990 -0.128 0.000 1.309 213 C CA 0.401 59.365 59.018 -0.090 0.000 1.735 213 C CB -1.173 26.497 27.740 -0.115 0.000 1.992 213 C HN 0.433 nan 8.230 nan 0.000 0.493 214 R N 0.568 120.958 120.500 -0.184 0.000 2.062 214 R HA -0.055 4.285 4.340 -0.000 0.000 0.231 214 R C 2.497 178.753 176.300 -0.074 0.000 1.136 214 R CA 0.858 56.864 56.100 -0.158 0.000 0.948 214 R CB -0.398 29.797 30.300 -0.175 0.000 0.845 214 R HN 0.499 nan 8.270 nan 0.000 0.430 215 R N 1.006 121.480 120.500 -0.043 0.000 2.147 215 R HA -0.106 4.234 4.340 -0.000 0.000 0.225 215 R C 1.837 178.129 176.300 -0.013 0.000 1.120 215 R CA 1.980 58.072 56.100 -0.015 0.000 0.891 215 R CB -0.599 29.703 30.300 0.004 0.000 0.822 215 R HN 0.438 nan 8.270 nan 0.000 0.433 216 N N -0.096 118.599 118.700 -0.008 0.000 2.432 216 N HA -0.064 4.676 4.740 -0.000 0.000 0.174 216 N C 1.885 177.391 175.510 -0.006 0.000 1.037 216 N CA 0.392 53.442 53.050 -0.001 0.000 0.892 216 N CB -0.108 38.386 38.487 0.011 0.000 1.049 216 N HN 0.044 nan 8.380 nan 0.000 0.442 217 L N 1.635 122.848 121.223 -0.017 0.000 2.217 217 L HA 0.012 4.352 4.340 -0.000 0.000 0.211 217 L C -0.033 176.818 176.870 -0.032 0.000 1.107 217 L CA 0.968 55.793 54.840 -0.024 0.000 0.783 217 L CB -0.758 41.280 42.059 -0.035 0.000 0.919 217 L HN 0.127 nan 8.230 nan 0.000 0.442 218 D N 0.316 120.692 120.400 -0.040 0.000 2.828 218 D HA -0.234 4.406 4.640 -0.000 0.000 0.241 218 D C -0.539 175.730 176.300 -0.052 0.000 1.142 218 D CA 0.504 54.479 54.000 -0.042 0.000 0.755 218 D CB -0.989 39.797 40.800 -0.024 0.000 1.014 218 D HN 0.165 nan 8.370 nan 0.000 0.420 219 I N 1.638 122.162 120.570 -0.078 0.000 2.389 219 I HA 0.146 4.316 4.170 -0.000 0.000 0.288 219 I C 1.604 177.654 176.117 -0.111 0.000 0.999 219 I CA -0.688 60.561 61.300 -0.085 0.000 1.129 219 I CB 1.676 39.622 38.000 -0.090 0.000 1.288 219 I HN -0.052 nan 8.210 nan 0.000 0.444 220 E N 5.020 125.170 120.200 -0.082 0.000 2.209 220 E HA -0.150 4.200 4.350 -0.000 0.000 0.196 220 E C 1.184 177.720 176.600 -0.106 0.000 0.993 220 E CA 1.232 57.583 56.400 -0.081 0.000 0.819 220 E CB 0.264 29.935 29.700 -0.048 0.000 0.745 220 E HN 0.513 nan 8.360 nan 0.000 0.477 221 R N 0.225 120.661 120.500 -0.106 0.000 2.362 221 R HA 0.138 4.478 4.340 -0.000 0.000 0.227 221 R C -1.891 174.329 176.300 -0.133 0.000 0.905 221 R CA -0.810 55.232 56.100 -0.097 0.000 1.067 221 R CB -0.398 29.864 30.300 -0.063 0.000 1.078 221 R HN -0.011 nan 8.270 nan 0.000 0.516 222 P HA -0.174 nan 4.420 nan 0.000 0.216 222 P C -0.344 176.886 177.300 -0.116 0.000 0.986 222 P CA 1.181 64.167 63.100 -0.189 0.000 0.901 222 P CB -0.310 31.185 31.700 -0.342 0.000 0.876 223 T N 2.169 116.678 114.554 -0.074 0.000 2.903 223 T HA -0.015 4.335 4.350 -0.000 0.000 0.314 223 T C 1.245 175.950 174.700 0.010 0.000 1.078 223 T CA -0.146 61.928 62.100 -0.043 0.000 1.114 223 T CB 0.565 69.432 68.868 -0.001 0.000 0.987 223 T HN 0.291 nan 8.240 nan 0.000 0.548 224 Y N 1.363 121.682 120.300 0.030 0.000 2.128 224 Y HA -0.220 4.330 4.550 -0.000 0.000 0.284 224 Y C 3.085 179.003 175.900 0.030 0.000 1.154 224 Y CA 1.409 59.532 58.100 0.038 0.000 1.149 224 Y CB -0.273 38.209 38.460 0.037 0.000 0.976 224 Y HN 0.751 nan 8.280 nan 0.000 0.505 225 T N -2.352 112.326 114.554 0.207 0.000 3.055 225 T HA -0.110 4.240 4.350 -0.000 0.000 0.265 225 T C 1.321 176.066 174.700 0.075 0.000 1.111 225 T CA 1.069 63.237 62.100 0.113 0.000 1.118 225 T CB -0.496 68.418 68.868 0.078 0.000 0.909 225 T HN 0.375 nan 8.240 nan 0.000 0.501 226 N N 0.474 119.212 118.700 0.064 0.000 2.120 226 N HA -0.037 4.703 4.740 -0.000 0.000 0.188 226 N C 1.430 176.959 175.510 0.031 0.000 1.024 226 N CA 0.640 53.706 53.050 0.026 0.000 0.852 226 N CB -0.097 38.388 38.487 -0.004 0.000 1.003 226 N HN 0.126 nan 8.380 nan 0.000 0.424 227 L N 1.098 122.364 121.223 0.072 0.000 2.179 227 L HA -0.009 4.331 4.340 -0.000 0.000 0.208 227 L C 1.636 178.552 176.870 0.077 0.000 1.096 227 L CA 1.277 56.169 54.840 0.087 0.000 0.779 227 L CB -1.357 40.796 42.059 0.158 0.000 0.922 227 L HN 0.292 nan 8.230 nan 0.000 0.443 228 N N 0.033 118.782 118.700 0.081 0.000 2.062 228 N HA -0.154 4.586 4.740 -0.000 0.000 0.191 228 N C 1.707 177.224 175.510 0.012 0.000 1.042 228 N CA 0.865 53.947 53.050 0.052 0.000 0.845 228 N CB -0.025 38.492 38.487 0.050 0.000 1.024 228 N HN 0.346 nan 8.380 nan 0.000 0.424 229 R N 0.933 121.435 120.500 0.004 0.000 2.154 229 R HA -0.135 4.205 4.340 -0.000 0.000 0.248 229 R C 2.051 178.314 176.300 -0.061 0.000 1.155 229 R CA 0.900 56.985 56.100 -0.024 0.000 0.979 229 R CB -0.543 29.746 30.300 -0.018 0.000 0.869 229 R HN 0.236 nan 8.270 nan 0.000 0.452 230 L N 1.179 122.373 121.223 -0.049 0.000 2.027 230 L HA -0.084 4.256 4.340 -0.000 0.000 0.206 230 L C 2.307 179.114 176.870 -0.105 0.000 1.074 230 L CA 1.704 56.491 54.840 -0.088 0.000 0.745 230 L CB -0.767 41.270 42.059 -0.037 0.000 0.898 230 L HN 0.225 nan 8.230 nan 0.000 0.433 231 M N -0.961 118.621 119.600 -0.030 0.000 2.200 231 M HA -0.161 4.319 4.480 -0.000 0.000 0.265 231 M C 2.280 178.575 176.300 -0.008 0.000 1.066 231 M CA 1.748 57.050 55.300 0.004 0.000 1.127 231 M CB -0.035 32.605 32.600 0.067 0.000 1.379 231 M HN 0.399 nan 8.290 nan 0.000 0.420 232 S N 0.033 115.715 115.700 -0.030 0.000 2.402 232 S HA -0.288 4.181 4.470 -0.000 0.000 0.233 232 S C 1.746 176.310 174.600 -0.061 0.000 1.030 232 S CA 1.807 59.975 58.200 -0.052 0.000 1.003 232 S CB -0.684 62.470 63.200 -0.076 0.000 0.813 232 S HN 0.667 nan 8.310 nan 0.000 0.477 233 Q N 0.950 120.667 119.800 -0.139 0.000 2.046 233 Q HA 0.064 4.404 4.340 -0.000 0.000 0.200 233 Q C 1.976 177.870 176.000 -0.177 0.000 0.975 233 Q CA 1.534 57.190 55.803 -0.246 0.000 0.836 233 Q CB -0.456 27.942 28.738 -0.567 0.000 0.896 233 Q HN 0.606 nan 8.270 nan 0.000 0.428 234 I N -0.662 119.818 120.570 -0.149 0.000 2.118 234 I HA -0.331 3.839 4.170 -0.000 0.000 0.241 234 I C 2.120 178.271 176.117 0.057 0.000 1.070 234 I CA 1.118 62.433 61.300 0.024 0.000 1.327 234 I CB -0.594 37.429 38.000 0.038 0.000 1.034 234 I HN 0.075 nan 8.210 nan 0.000 0.405 235 V N -0.077 119.893 119.914 0.093 0.000 2.282 235 V HA -0.362 3.758 4.120 -0.000 0.000 0.249 235 V C 2.617 178.764 176.094 0.088 0.000 1.057 235 V CA 2.265 64.650 62.300 0.141 0.000 1.032 235 V CB -1.093 30.771 31.823 0.069 0.000 0.645 235 V HN 0.617 nan 8.190 nan 0.000 0.447 236 S N 0.102 115.845 115.700 0.071 0.000 2.359 236 S HA -0.273 4.197 4.470 -0.000 0.000 0.223 236 S C 2.135 176.735 174.600 -0.001 0.000 1.039 236 S CA 2.471 60.700 58.200 0.048 0.000 1.042 236 S CB -0.488 62.752 63.200 0.068 0.000 0.915 236 S HN 0.616 nan 8.310 nan 0.000 0.439 237 S N 1.061 116.789 115.700 0.048 0.000 2.402 237 S HA 0.116 4.586 4.470 -0.000 0.000 0.229 237 S C 1.782 176.346 174.600 -0.060 0.000 1.021 237 S CA 1.223 59.447 58.200 0.039 0.000 0.974 237 S CB -0.404 62.875 63.200 0.133 0.000 0.800 237 S HN 0.542 nan 8.310 nan 0.000 0.484 238 I N 1.595 122.117 120.570 -0.080 0.000 2.233 238 I HA -0.133 4.037 4.170 -0.000 0.000 0.243 238 I C 2.327 178.364 176.117 -0.135 0.000 1.093 238 I CA 1.162 62.346 61.300 -0.193 0.000 1.380 238 I CB -1.006 36.810 38.000 -0.308 0.000 1.067 238 I HN 0.423 nan 8.210 nan 0.000 0.413 239 T N -0.757 113.780 114.554 -0.028 0.000 5.430 239 T HA 0.253 4.603 4.350 -0.000 0.000 0.400 239 T C 1.447 176.056 174.700 -0.152 0.000 0.998 239 T CA 0.532 62.615 62.100 -0.028 0.000 0.892 239 T CB 0.044 68.879 68.868 -0.055 0.000 1.448 239 T HN 0.453 nan 8.240 nan 0.000 0.414 240 A N 0.321 122.961 122.820 -0.300 0.000 1.344 240 A HA -0.306 4.014 4.320 -0.000 0.000 0.222 240 A C 2.254 179.663 177.584 -0.292 0.000 0.364 240 A CA 3.777 55.542 52.037 -0.454 0.000 1.096 240 A CB -2.831 16.054 19.000 -0.192 0.000 1.468 240 A HN 2.066 nan 8.150 nan 0.000 0.722 241 S N 0.447 116.071 115.700 -0.126 0.000 2.420 241 S HA -0.048 4.422 4.470 -0.000 0.000 0.237 241 S C 1.357 175.953 174.600 -0.007 0.000 1.023 241 S CA 2.178 60.357 58.200 -0.035 0.000 0.991 241 S CB -0.758 62.385 63.200 -0.095 0.000 0.792 241 S HN 1.782 nan 8.310 nan 0.000 0.488 242 L N -1.480 119.721 121.223 -0.036 0.000 2.700 242 L HA 0.595 4.935 4.340 -0.000 0.000 0.234 242 L C 1.724 178.598 176.870 0.007 0.000 1.156 242 L CA -0.035 54.810 54.840 0.009 0.000 0.946 242 L CB -0.752 41.321 42.059 0.023 0.000 1.216 242 L HN 0.082 nan 8.230 nan 0.000 0.493 243 R N 0.086 120.501 120.500 -0.141 0.000 1.970 243 R HA 0.384 4.724 4.340 -0.000 0.000 0.200 243 R C 0.345 176.567 176.300 -0.131 0.000 1.457 243 R CA 0.330 56.298 56.100 -0.220 0.000 1.139 243 R CB 0.081 29.999 30.300 -0.636 0.000 0.977 243 R HN 0.238 nan 8.270 nan 0.000 0.477 244 F N 0.254 120.320 119.950 0.194 0.000 2.364 244 F HA 0.492 5.019 4.527 -0.000 0.000 0.316 244 F C 0.224 176.092 175.800 0.114 0.000 1.133 244 F CA -1.073 57.032 58.000 0.176 0.000 1.051 244 F CB 0.064 39.139 39.000 0.125 0.000 1.342 244 F HN -0.030 nan 8.300 nan 0.000 0.507 245 D N -2.145 118.483 120.400 0.379 0.000 2.898 245 D HA 0.726 5.366 4.640 -0.000 0.000 0.266 245 D C -0.595 175.845 176.300 0.233 0.000 1.173 245 D CA 0.009 54.169 54.000 0.267 0.000 1.078 245 D CB 1.781 42.684 40.800 0.172 0.000 1.326 245 D HN 0.970 nan 8.370 nan 0.000 0.622 246 G N -1.445 107.465 108.800 0.184 0.000 2.329 246 G HA2 0.445 4.405 3.960 -0.000 0.000 0.308 246 G HA3 0.445 4.405 3.960 -0.000 0.000 0.308 246 G C 0.211 175.210 174.900 0.166 0.000 1.587 246 G CA 0.302 45.511 45.100 0.181 0.000 0.978 246 G HN 0.485 nan 8.290 nan 0.000 0.685 247 A N 0.387 123.295 122.820 0.148 0.000 1.940 247 A HA 0.392 4.712 4.320 -0.000 0.000 0.219 247 A C 3.307 180.981 177.584 0.149 0.000 1.176 247 A CA 3.743 55.857 52.037 0.127 0.000 0.631 247 A CB -1.163 17.897 19.000 0.100 0.000 0.814 247 A HN 2.624 nan 8.150 nan 0.000 0.446 248 L N -0.307 121.055 121.223 0.232 0.000 2.131 248 L HA -0.174 4.166 4.340 -0.000 0.000 0.247 248 L C 1.174 178.094 176.870 0.084 0.000 1.112 248 L CA 2.959 57.889 54.840 0.150 0.000 0.843 248 L CB -1.756 40.361 42.059 0.098 0.000 0.948 248 L HN 0.934 nan 8.230 nan 0.000 0.444 249 N N -3.613 115.153 118.700 0.111 0.000 2.591 249 N HA 0.582 5.322 4.740 -0.000 0.000 0.263 249 N C -0.826 174.782 175.510 0.163 0.000 1.308 249 N CA 0.159 53.294 53.050 0.142 0.000 0.837 249 N CB 2.086 40.684 38.487 0.184 0.000 1.548 249 N HN 0.512 nan 8.380 nan 0.000 0.493 250 V N -0.708 119.314 119.914 0.179 0.000 3.707 250 V HA 0.677 4.797 4.120 -0.000 0.000 0.293 250 V C 1.067 177.291 176.094 0.217 0.000 1.307 250 V CA -0.108 62.290 62.300 0.163 0.000 0.971 250 V CB -0.140 31.754 31.823 0.118 0.000 1.263 250 V HN 0.885 nan 8.190 nan 0.000 0.473 251 D N -0.539 119.963 120.400 0.169 0.000 2.341 251 D HA 0.235 4.875 4.640 -0.000 0.000 0.235 251 D C 0.583 177.047 176.300 0.273 0.000 1.265 251 D CA 0.741 54.830 54.000 0.149 0.000 0.888 251 D CB -0.053 40.803 40.800 0.093 0.000 1.192 251 D HN 0.555 nan 8.370 nan 0.000 0.462 252 L N 0.002 121.316 121.223 0.151 0.000 2.592 252 L HA 0.119 4.459 4.340 -0.000 0.000 0.227 252 L C 2.792 179.782 176.870 0.200 0.000 1.127 252 L CA 0.293 55.272 54.840 0.231 0.000 0.884 252 L CB -0.183 41.947 42.059 0.119 0.000 1.065 252 L HN 0.629 nan 8.230 nan 0.000 0.457 253 T N 0.536 115.169 114.554 0.132 0.000 2.822 253 T HA -0.193 4.157 4.350 -0.000 0.000 0.270 253 T C 1.606 176.355 174.700 0.081 0.000 1.064 253 T CA 1.959 64.103 62.100 0.074 0.000 1.131 253 T CB -0.002 68.887 68.868 0.036 0.000 0.858 253 T HN 0.646 nan 8.240 nan 0.000 0.483 254 E N -1.478 118.799 120.200 0.128 0.000 2.676 254 E HA 0.073 4.423 4.350 -0.000 0.000 0.225 254 E C 0.938 177.581 176.600 0.072 0.000 0.944 254 E CA -0.171 56.272 56.400 0.072 0.000 1.156 254 E CB -0.586 29.132 29.700 0.030 0.000 1.117 254 E HN 0.459 nan 8.360 nan 0.000 0.523 255 F N 2.018 121.993 119.950 0.042 0.000 2.804 255 F HA 0.209 4.736 4.527 0.000 0.000 0.303 255 F C 2.225 178.064 175.800 0.065 0.000 1.154 255 F CA 0.734 58.772 58.000 0.063 0.000 1.401 255 F CB 0.452 39.503 39.000 0.085 0.000 1.106 255 F HN 0.036 nan 8.300 nan 0.000 0.568 256 Q N -1.245 118.665 119.800 0.183 0.000 2.530 256 Q HA -0.049 4.291 4.340 -0.000 0.000 0.198 256 Q C 2.119 178.150 176.000 0.051 0.000 0.956 256 Q CA 0.953 56.814 55.803 0.097 0.000 0.870 256 Q CB -0.409 28.361 28.738 0.053 0.000 1.050 256 Q HN 0.088 nan 8.270 nan 0.000 0.604 257 T N 1.628 116.197 114.554 0.026 0.000 2.840 257 T HA -0.310 4.040 4.350 -0.000 0.000 0.249 257 T C 1.378 176.079 174.700 0.001 0.000 1.078 257 T CA 2.374 64.473 62.100 -0.001 0.000 1.148 257 T CB -0.451 68.413 68.868 -0.008 0.000 0.824 257 T HN 0.258 nan 8.240 nan 0.000 0.490 258 N N -0.572 118.137 118.700 0.016 0.000 2.333 258 N HA 0.231 4.971 4.740 -0.000 0.000 0.178 258 N C 1.703 177.251 175.510 0.062 0.000 1.018 258 N CA 0.504 53.555 53.050 0.002 0.000 0.882 258 N CB 0.080 38.519 38.487 -0.079 0.000 0.984 258 N HN 0.315 nan 8.380 nan 0.000 0.434 259 L N -0.739 120.546 121.223 0.104 0.000 2.316 259 L HA 0.264 4.604 4.340 -0.000 0.000 0.207 259 L C 0.206 177.152 176.870 0.126 0.000 1.070 259 L CA 0.224 55.145 54.840 0.136 0.000 0.820 259 L CB 0.454 42.615 42.059 0.170 0.000 0.992 259 L HN 0.005 nan 8.230 nan 0.000 0.466 260 V N 1.298 121.270 119.914 0.097 0.000 2.407 260 V HA 0.367 4.487 4.120 -0.000 0.000 0.291 260 V C -1.869 174.280 176.094 0.092 0.000 1.018 260 V CA -1.302 61.072 62.300 0.123 0.000 0.842 260 V CB 1.825 33.720 31.823 0.120 0.000 0.996 260 V HN -0.044 nan 8.190 nan 0.000 0.426 261 P HA 0.174 nan 4.420 nan 0.000 0.232 261 P C -0.559 176.664 177.300 -0.127 0.000 1.170 261 P CA 0.587 63.701 63.100 0.024 0.000 0.824 261 P CB 0.353 32.169 31.700 0.194 0.000 0.896 262 Y N -0.763 119.552 120.300 0.024 0.000 2.361 262 Y HA 0.322 4.872 4.550 -0.000 0.000 0.337 262 Y C -1.476 174.508 175.900 0.140 0.000 0.965 262 Y CA -2.187 55.943 58.100 0.050 0.000 1.091 262 Y CB 1.493 39.960 38.460 0.012 0.000 1.182 262 Y HN -0.235 nan 8.280 nan 0.000 0.450 263 P HA -0.297 nan 4.420 nan 0.000 0.230 263 P C -0.026 177.292 177.300 0.030 0.000 1.150 263 P CA 1.695 64.827 63.100 0.054 0.000 0.933 263 P CB 0.141 31.860 31.700 0.032 0.000 0.785 264 R N 0.370 120.890 120.500 0.034 0.000 2.808 264 R HA 0.012 4.352 4.340 -0.000 0.000 0.248 264 R C 1.387 177.335 176.300 -0.587 0.000 1.539 264 R CA 0.115 56.083 56.100 -0.222 0.000 1.071 264 R CB -1.675 28.514 30.300 -0.185 0.000 1.172 264 R HN 0.363 nan 8.270 nan 0.000 0.579 265 I N 0.826 121.194 120.570 -0.337 0.000 3.152 265 I HA -0.420 3.750 4.170 -0.000 0.000 0.287 265 I C 0.076 175.794 176.117 -0.666 0.000 0.764 265 I CA 0.811 61.825 61.300 -0.476 0.000 1.605 265 I CB -0.466 37.254 38.000 -0.467 0.000 1.158 265 I HN 0.638 nan 8.210 nan 0.000 0.461 266 H N 1.185 120.127 119.070 -0.214 0.000 3.201 266 H HA -0.112 4.444 4.556 -0.000 0.000 0.301 266 H C -0.143 175.128 175.328 -0.094 0.000 0.948 266 H CA 1.220 57.270 56.048 0.004 0.000 1.369 266 H CB -0.147 29.701 29.762 0.143 0.000 1.293 266 H HN 0.166 nan 8.280 nan 0.000 0.575 267 F N 4.722 124.876 119.950 0.339 0.000 2.368 267 F HA 0.240 4.767 4.527 -0.000 0.000 0.362 267 F C -1.747 174.164 175.800 0.184 0.000 1.137 267 F CA -2.613 55.504 58.000 0.195 0.000 1.161 267 F CB 0.581 39.754 39.000 0.288 0.000 1.265 267 F HN 0.286 nan 8.300 nan 0.000 0.530 268 P HA 0.180 nan 4.420 nan 0.000 0.275 268 P C -0.932 176.527 177.300 0.265 0.000 1.227 268 P CA -0.410 62.843 63.100 0.254 0.000 0.781 268 P CB 0.755 32.630 31.700 0.291 0.000 0.906 269 L N 0.504 121.858 121.223 0.217 0.000 2.309 269 L HA 0.876 5.216 4.340 -0.000 0.000 0.282 269 L C -0.031 176.916 176.870 0.128 0.000 1.036 269 L CA -1.116 53.815 54.840 0.151 0.000 0.806 269 L CB 0.520 42.643 42.059 0.107 0.000 1.220 269 L HN 0.306 nan 8.230 nan 0.000 0.429 270 A N 1.955 124.824 122.820 0.081 0.000 2.248 270 A HA 0.918 5.238 4.320 -0.000 0.000 0.316 270 A C 0.084 177.684 177.584 0.027 0.000 1.101 270 A CA -0.284 51.770 52.037 0.028 0.000 0.875 270 A CB 0.828 19.812 19.000 -0.027 0.000 1.207 270 A HN 0.860 nan 8.150 nan 0.000 0.504 271 T N 0.260 114.816 114.554 0.004 0.000 3.824 271 T HA 0.152 4.502 4.350 -0.000 0.000 0.232 271 T C -0.817 173.873 174.700 -0.016 0.000 0.927 271 T CA -0.245 61.852 62.100 -0.005 0.000 1.620 271 T CB -0.842 67.994 68.868 -0.053 0.000 0.762 271 T HN 0.525 nan 8.240 nan 0.000 0.619 272 Y N 2.419 122.676 120.300 -0.072 0.000 2.890 272 Y HA 0.274 4.824 4.550 0.000 0.000 0.341 272 Y C 1.358 177.203 175.900 -0.093 0.000 1.269 272 Y CA 1.194 59.245 58.100 -0.082 0.000 1.517 272 Y CB 0.454 38.883 38.460 -0.051 0.000 1.314 272 Y HN 0.590 nan 8.280 nan 0.000 0.622 273 A N 5.706 128.061 122.820 -0.776 0.000 2.260 273 A HA 0.168 4.488 4.320 -0.000 0.000 0.208 273 A C -1.880 175.575 177.584 -0.215 0.000 1.588 273 A CA 0.417 52.163 52.037 -0.484 0.000 0.600 273 A CB -1.487 17.155 19.000 -0.597 0.000 1.142 273 A HN 0.648 nan 8.150 nan 0.000 0.494 274 P HA 0.398 nan 4.420 nan 0.000 0.253 274 P C -1.155 176.217 177.300 0.119 0.000 1.667 274 P CA -0.306 62.782 63.100 -0.020 0.000 1.118 274 P CB 0.706 32.380 31.700 -0.043 0.000 1.595 275 V N 3.841 123.838 119.914 0.139 0.000 2.408 275 V HA 0.468 4.588 4.120 -0.000 0.000 0.267 275 V C 0.356 176.489 176.094 0.065 0.000 1.047 275 V CA -0.422 61.952 62.300 0.124 0.000 0.937 275 V CB 0.437 32.317 31.823 0.094 0.000 0.999 275 V HN 0.319 nan 8.190 nan 0.000 0.472 276 I N 4.216 124.819 120.570 0.055 0.000 2.752 276 I HA 0.557 4.727 4.170 -0.000 0.000 0.295 276 I C 0.160 176.291 176.117 0.023 0.000 1.219 276 I CA -0.152 61.170 61.300 0.038 0.000 1.030 276 I CB 2.651 40.678 38.000 0.045 0.000 1.259 276 I HN 0.769 nan 8.210 nan 0.000 0.423 277 S N 6.375 122.083 115.700 0.013 0.000 2.474 277 S HA 0.779 5.249 4.470 -0.000 0.000 0.276 277 S C 0.298 174.883 174.600 -0.026 0.000 1.227 277 S CA -0.337 57.858 58.200 -0.008 0.000 1.050 277 S CB 0.901 64.095 63.200 -0.009 0.000 0.939 277 S HN 1.077 nan 8.310 nan 0.000 0.490 278 A N 2.869 125.658 122.820 -0.053 0.000 2.598 278 A HA 0.433 4.753 4.320 -0.000 0.000 0.239 278 A C 1.419 178.948 177.584 -0.091 0.000 1.032 278 A CA 0.903 52.879 52.037 -0.102 0.000 0.760 278 A CB -1.494 17.440 19.000 -0.111 0.000 0.946 278 A HN 2.334 nan 8.150 nan 0.000 0.512 279 E N 0.749 120.875 120.200 -0.124 0.000 3.953 279 E HA -0.175 4.175 4.350 -0.000 0.000 0.326 279 E C 0.595 177.145 176.600 -0.082 0.000 0.550 279 E CA 1.265 57.615 56.400 -0.083 0.000 2.064 279 E CB -2.066 27.610 29.700 -0.039 0.000 1.819 279 E HN 0.966 nan 8.360 nan 0.000 0.558 280 K N -0.521 119.839 120.400 -0.067 0.000 2.564 280 K HA 0.727 5.047 4.320 -0.000 0.000 0.201 280 K C 1.732 178.316 176.600 -0.027 0.000 1.086 280 K CA 0.424 56.708 56.287 -0.006 0.000 1.062 280 K CB 1.408 34.016 32.500 0.181 0.000 0.849 280 K HN 0.678 nan 8.250 nan 0.000 0.529 281 A N 0.562 123.290 122.820 -0.153 0.000 2.216 281 A HA -0.089 4.231 4.320 -0.000 0.000 0.214 281 A C 0.513 178.079 177.584 -0.029 0.000 1.160 281 A CA 1.036 52.973 52.037 -0.167 0.000 0.725 281 A CB -0.349 18.442 19.000 -0.349 0.000 0.784 281 A HN 0.298 nan 8.150 nan 0.000 0.472 282 Y N -2.115 118.148 120.300 -0.062 0.000 2.707 282 Y HA 0.247 4.797 4.550 -0.000 0.000 0.249 282 Y C 1.345 177.186 175.900 -0.097 0.000 1.166 282 Y CA -0.913 57.140 58.100 -0.079 0.000 1.184 282 Y CB -0.864 37.533 38.460 -0.105 0.000 1.240 282 Y HN 0.563 nan 8.280 nan 0.000 0.547 283 H N -1.404 117.748 119.070 0.136 0.000 2.516 283 H HA 0.053 4.609 4.556 -0.000 0.000 0.284 283 H C 1.662 177.027 175.328 0.062 0.000 0.999 283 H CA 0.374 56.469 56.048 0.078 0.000 1.303 283 H CB 0.959 30.751 29.762 0.051 0.000 1.452 283 H HN 0.142 nan 8.280 nan 0.000 0.530 284 E N 1.067 121.385 120.200 0.197 0.000 4.520 284 E HA -0.059 4.291 4.350 -0.000 0.000 0.569 284 E C 0.179 176.830 176.600 0.085 0.000 1.225 284 E CA 0.980 57.452 56.400 0.121 0.000 3.810 284 E CB -0.073 29.688 29.700 0.101 0.000 1.842 284 E HN 0.394 nan 8.360 nan 0.000 0.397 285 Q N -0.749 119.090 119.800 0.064 0.000 2.402 285 Q HA -0.189 4.151 4.340 -0.000 0.000 0.332 285 Q C -0.925 175.096 176.000 0.034 0.000 1.302 285 Q CA 1.124 56.953 55.803 0.043 0.000 0.931 285 Q CB -2.460 26.302 28.738 0.039 0.000 1.031 285 Q HN 0.345 nan 8.270 nan 0.000 0.302 286 L N 1.863 123.099 121.223 0.022 0.000 2.309 286 L HA 0.626 4.966 4.340 -0.000 0.000 0.282 286 L C 0.743 177.613 176.870 0.001 0.000 1.036 286 L CA -0.107 54.739 54.840 0.009 0.000 0.806 286 L CB 2.087 44.145 42.059 -0.001 0.000 1.220 286 L HN 0.765 nan 8.230 nan 0.000 0.429 287 S N 2.425 118.126 115.700 0.002 0.000 2.737 287 S HA -0.061 4.409 4.470 -0.000 0.000 0.315 287 S C 1.480 176.082 174.600 0.004 0.000 1.236 287 S CA -0.539 57.664 58.200 0.005 0.000 1.093 287 S CB 0.470 63.673 63.200 0.005 0.000 0.832 287 S HN 0.486 nan 8.310 nan 0.000 0.507 288 V N 3.108 123.032 119.914 0.017 0.000 2.453 288 V HA -0.323 3.797 4.120 -0.000 0.000 0.252 288 V C 2.551 178.672 176.094 0.046 0.000 1.068 288 V CA 2.338 64.660 62.300 0.037 0.000 1.070 288 V CB -1.437 30.417 31.823 0.051 0.000 0.664 288 V HN 1.007 nan 8.190 nan 0.000 0.461 289 A N -0.804 122.035 122.820 0.031 0.000 1.845 289 A HA -0.217 4.103 4.320 -0.000 0.000 0.215 289 A C 2.319 179.914 177.584 0.018 0.000 1.195 289 A CA 1.738 53.793 52.037 0.030 0.000 0.616 289 A CB -0.515 18.498 19.000 0.023 0.000 0.832 289 A HN 0.497 nan 8.150 nan 0.000 0.443 290 E N 0.077 120.280 120.200 0.005 0.000 2.031 290 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 290 E C 2.054 178.634 176.600 -0.033 0.000 0.994 290 E CA 1.658 58.055 56.400 -0.005 0.000 0.800 290 E CB -0.452 29.244 29.700 -0.006 0.000 0.752 290 E HN 0.752 nan 8.360 nan 0.000 0.447 291 I N -0.175 120.357 120.570 -0.063 0.000 2.113 291 I HA -0.339 3.831 4.170 -0.000 0.000 0.242 291 I C 2.393 178.405 176.117 -0.176 0.000 1.057 291 I CA 1.925 63.147 61.300 -0.131 0.000 1.314 291 I CB -1.450 36.444 38.000 -0.177 0.000 1.022 291 I HN -0.068 nan 8.210 nan 0.000 0.408 292 T N 1.212 115.671 114.554 -0.158 0.000 2.570 292 T HA -0.245 4.105 4.350 -0.000 0.000 0.266 292 T C 1.822 176.487 174.700 -0.058 0.000 1.071 292 T CA 2.422 64.437 62.100 -0.142 0.000 1.172 292 T CB -0.621 68.248 68.868 0.002 0.000 0.864 292 T HN 0.367 nan 8.240 nan 0.000 0.421 293 N N 0.967 119.687 118.700 0.034 0.000 2.289 293 N HA 0.020 4.760 4.740 -0.000 0.000 0.184 293 N C 1.610 177.173 175.510 0.087 0.000 1.016 293 N CA 1.082 54.197 53.050 0.108 0.000 0.872 293 N CB -0.326 38.203 38.487 0.070 0.000 0.973 293 N HN 0.465 nan 8.380 nan 0.000 0.433 294 A N -0.822 122.007 122.820 0.015 0.000 2.195 294 A HA 0.027 4.347 4.320 -0.000 0.000 0.210 294 A C 2.435 180.008 177.584 -0.019 0.000 1.165 294 A CA 0.621 52.663 52.037 0.007 0.000 0.806 294 A CB -0.704 18.289 19.000 -0.012 0.000 0.847 294 A HN 0.545 nan 8.150 nan 0.000 0.482 295 C N -1.617 117.628 119.300 -0.092 0.000 2.464 295 C HA 0.213 4.673 4.460 -0.000 0.000 0.278 295 C C 1.298 176.196 174.990 -0.153 0.000 1.375 295 C CA -0.071 58.845 59.018 -0.171 0.000 1.761 295 C CB -1.598 25.951 27.740 -0.318 0.000 1.944 295 C HN 0.453 nan 8.230 nan 0.000 0.509 296 F N 2.024 121.971 119.950 -0.006 0.000 2.659 296 F HA 0.353 4.880 4.527 -0.000 0.000 0.360 296 F C 0.408 176.225 175.800 0.029 0.000 1.218 296 F CA 0.033 58.051 58.000 0.031 0.000 1.317 296 F CB -0.255 38.763 39.000 0.030 0.000 1.697 296 F HN 0.383 nan 8.300 nan 0.000 0.637 297 E N 2.285 122.604 120.200 0.198 0.000 2.287 297 E HA 0.278 4.628 4.350 -0.000 0.000 0.274 297 E C -2.085 174.568 176.600 0.089 0.000 0.896 297 E CA -2.034 54.437 56.400 0.117 0.000 0.788 297 E CB 1.520 31.264 29.700 0.072 0.000 1.244 297 E HN -0.123 nan 8.360 nan 0.000 0.408 298 P HA -0.276 nan 4.420 nan 0.000 0.218 298 P C 0.794 178.115 177.300 0.035 0.000 1.154 298 P CA 2.031 65.157 63.100 0.043 0.000 0.872 298 P CB 0.135 31.849 31.700 0.022 0.000 0.790 299 A N -1.721 121.120 122.820 0.035 0.000 2.209 299 A HA -0.064 4.256 4.320 -0.000 0.000 0.212 299 A C 1.797 179.402 177.584 0.035 0.000 1.158 299 A CA 0.926 52.982 52.037 0.032 0.000 0.742 299 A CB -0.815 18.201 19.000 0.027 0.000 0.790 299 A HN 0.130 nan 8.150 nan 0.000 0.472 300 N N -0.444 118.278 118.700 0.037 0.000 2.351 300 N HA 0.112 4.852 4.740 -0.000 0.000 0.254 300 N C 0.499 176.032 175.510 0.038 0.000 1.241 300 N CA -0.029 53.042 53.050 0.036 0.000 0.883 300 N CB 0.298 38.798 38.487 0.023 0.000 1.202 300 N HN 0.516 nan 8.380 nan 0.000 0.512 301 Q N -0.282 119.542 119.800 0.041 0.000 3.007 301 Q HA 0.179 4.519 4.340 -0.000 0.000 0.263 301 Q C 0.656 176.681 176.000 0.041 0.000 1.155 301 Q CA 0.353 56.180 55.803 0.040 0.000 0.415 301 Q CB 0.532 29.289 28.738 0.033 0.000 5.520 301 Q HN 0.170 nan 8.270 nan 0.000 0.331 302 M N -1.729 117.889 119.600 0.030 0.000 1.643 302 M HA 0.100 4.580 4.480 -0.000 0.000 0.222 302 M C -1.296 175.006 176.300 0.002 0.000 1.060 302 M CA 0.357 55.676 55.300 0.032 0.000 0.920 302 M CB 1.445 34.067 32.600 0.037 0.000 1.774 302 M HN 0.159 nan 8.290 nan 0.000 0.650 303 V N 1.404 121.294 119.914 -0.040 0.000 2.628 303 V HA 0.537 4.657 4.120 -0.000 0.000 0.306 303 V C -0.281 175.742 176.094 -0.118 0.000 1.045 303 V CA -0.991 61.230 62.300 -0.132 0.000 0.905 303 V CB 1.532 33.221 31.823 -0.224 0.000 0.997 303 V HN 0.091 nan 8.190 nan 0.000 0.436 304 K N 3.393 123.703 120.400 -0.150 0.000 2.083 304 K HA 0.366 4.686 4.320 -0.000 0.000 0.246 304 K C -0.277 176.254 176.600 -0.116 0.000 1.160 304 K CA 0.082 56.313 56.287 -0.095 0.000 1.060 304 K CB -0.849 31.618 32.500 -0.054 0.000 1.417 304 K HN 1.021 nan 8.250 nan 0.000 0.329 305 C N -0.375 118.869 119.300 -0.093 0.000 3.299 305 C HA 0.764 5.224 4.460 -0.000 0.000 0.366 305 C C -1.496 173.462 174.990 -0.054 0.000 3.078 305 C CA -0.891 58.074 59.018 -0.089 0.000 1.335 305 C CB 1.371 29.038 27.740 -0.122 0.000 3.510 305 C HN 0.702 nan 8.230 nan 0.000 0.476 306 D N -0.514 119.850 120.400 -0.059 0.000 2.937 306 D HA 0.365 5.005 4.640 -0.000 0.000 0.215 306 D C -2.872 173.376 176.300 -0.087 0.000 1.274 306 D CA -0.925 53.045 54.000 -0.050 0.000 0.869 306 D CB 1.505 42.279 40.800 -0.043 0.000 1.675 306 D HN 0.352 nan 8.370 nan 0.000 0.538 307 P HA 0.168 nan 4.420 nan 0.000 0.257 307 P C 0.891 177.975 177.300 -0.359 0.000 1.325 307 P CA 0.252 63.193 63.100 -0.265 0.000 0.850 307 P CB 0.097 31.646 31.700 -0.251 0.000 1.324 308 R N -1.890 118.488 120.500 -0.202 0.000 2.334 308 R HA 0.206 4.546 4.340 -0.000 0.000 0.216 308 R C 1.445 177.663 176.300 -0.138 0.000 0.905 308 R CA 1.015 57.011 56.100 -0.174 0.000 1.064 308 R CB -1.462 28.773 30.300 -0.109 0.000 1.046 308 R HN 0.538 nan 8.270 nan 0.000 0.508 309 H N -1.070 117.924 119.070 -0.128 0.000 2.534 309 H HA 0.631 5.187 4.556 -0.000 0.000 0.250 309 H C 0.439 175.704 175.328 -0.105 0.000 1.256 309 H CA -0.279 55.709 56.048 -0.100 0.000 1.000 309 H CB 0.420 30.140 29.762 -0.070 0.000 1.801 309 H HN 0.863 nan 8.280 nan 0.000 0.569 310 G N -0.348 108.363 108.800 -0.148 0.000 2.657 310 G HA2 0.591 4.551 3.960 -0.000 0.000 0.303 310 G HA3 0.591 4.551 3.960 -0.000 0.000 0.303 310 G C -0.303 174.472 174.900 -0.208 0.000 1.457 310 G CA -0.077 44.944 45.100 -0.131 0.000 0.982 310 G HN 0.869 nan 8.290 nan 0.000 0.583 311 K N 0.866 121.180 120.400 -0.142 0.000 2.276 311 K HA 0.609 4.929 4.320 -0.000 0.000 0.259 311 K C -0.544 175.985 176.600 -0.118 0.000 1.001 311 K CA -0.084 56.108 56.287 -0.160 0.000 0.927 311 K CB 0.369 32.808 32.500 -0.101 0.000 0.969 311 K HN 0.605 nan 8.250 nan 0.000 0.490 312 Y N 0.326 120.540 120.300 -0.142 0.000 2.334 312 Y HA 0.320 4.870 4.550 -0.000 0.000 0.328 312 Y C 1.150 177.091 175.900 0.068 0.000 1.130 312 Y CA -0.668 57.349 58.100 -0.138 0.000 1.163 312 Y CB 1.778 39.892 38.460 -0.578 0.000 1.207 312 Y HN 0.667 nan 8.280 nan 0.000 0.471 313 M N 1.860 121.659 119.600 0.331 0.000 2.410 313 M HA 0.639 5.119 4.480 -0.000 0.000 0.376 313 M C -0.603 175.842 176.300 0.241 0.000 1.051 313 M CA -0.201 55.220 55.300 0.202 0.000 0.949 313 M CB 1.288 33.940 32.600 0.086 0.000 1.577 313 M HN 0.351 nan 8.290 nan 0.000 0.560 314 A N 0.305 123.315 122.820 0.316 0.000 1.668 314 A HA 0.483 4.803 4.320 -0.000 0.000 0.256 314 A C -0.919 176.747 177.584 0.136 0.000 0.976 314 A CA -0.954 51.198 52.037 0.191 0.000 0.862 314 A CB -0.447 18.637 19.000 0.141 0.000 0.979 314 A HN 0.349 nan 8.150 nan 0.000 0.330 315 C N 0.321 119.693 119.300 0.119 0.000 2.362 315 C HA 0.867 5.327 4.460 -0.000 0.000 0.363 315 C C 0.574 175.675 174.990 0.184 0.000 1.220 315 C CA 0.039 59.104 59.018 0.079 0.000 2.379 315 C CB 1.300 29.023 27.740 -0.027 0.000 2.351 315 C HN 1.262 nan 8.230 nan 0.000 0.582 316 C N 3.263 122.743 119.300 0.300 0.000 3.087 316 C HA 0.283 4.743 4.460 -0.000 0.000 0.386 316 C C -0.845 174.340 174.990 0.325 0.000 1.013 316 C CA -0.618 58.585 59.018 0.309 0.000 1.287 316 C CB -1.082 26.851 27.740 0.321 0.000 1.615 316 C HN 0.832 nan 8.230 nan 0.000 0.536 317 L N 4.049 125.468 121.223 0.327 0.000 2.349 317 L HA 0.500 4.840 4.340 -0.000 0.000 0.275 317 L C -0.058 177.020 176.870 0.347 0.000 1.115 317 L CA -0.215 54.795 54.840 0.282 0.000 0.820 317 L CB 1.041 43.342 42.059 0.403 0.000 1.135 317 L HN 0.489 nan 8.230 nan 0.000 0.445 318 L N 3.820 125.164 121.223 0.203 0.000 2.295 318 L HA 0.393 4.733 4.340 -0.000 0.000 0.281 318 L C -0.800 176.128 176.870 0.096 0.000 1.018 318 L CA -0.218 54.717 54.840 0.158 0.000 0.841 318 L CB 0.509 42.556 42.059 -0.020 0.000 1.218 318 L HN 0.344 nan 8.230 nan 0.000 0.424 319 Y N 3.372 123.641 120.300 -0.052 0.000 2.376 319 Y HA 0.638 5.188 4.550 -0.000 0.000 0.325 319 Y C 0.153 176.003 175.900 -0.082 0.000 1.199 319 Y CA -0.811 57.236 58.100 -0.089 0.000 1.206 319 Y CB 1.290 39.693 38.460 -0.096 0.000 1.229 319 Y HN 0.393 nan 8.280 nan 0.000 0.480 320 R N 0.532 121.050 120.500 0.029 0.000 2.584 320 R HA 0.582 4.922 4.340 -0.000 0.000 0.276 320 R C -0.282 176.020 176.300 0.003 0.000 1.046 320 R CA -0.367 55.740 56.100 0.011 0.000 0.906 320 R CB 2.202 32.517 30.300 0.024 0.000 1.215 320 R HN 0.921 nan 8.270 nan 0.000 0.449 321 G N 1.811 110.615 108.800 0.007 0.000 2.512 321 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.210 321 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.210 321 G C -1.136 173.803 174.900 0.064 0.000 1.295 321 G CA -0.369 44.750 45.100 0.033 0.000 0.934 321 G HN 0.612 nan 8.290 nan 0.000 0.554 322 D N 0.574 121.018 120.400 0.073 0.000 2.441 322 D HA 0.436 5.076 4.640 -0.000 0.000 0.243 322 D C -0.009 176.338 176.300 0.079 0.000 1.257 322 D CA 0.430 54.489 54.000 0.097 0.000 1.027 322 D CB -0.014 40.828 40.800 0.071 0.000 1.084 322 D HN 0.761 nan 8.370 nan 0.000 0.514 323 V N 4.265 124.225 119.914 0.076 0.000 2.624 323 V HA 0.176 4.296 4.120 -0.000 0.000 0.294 323 V C -0.064 176.038 176.094 0.014 0.000 1.077 323 V CA -0.942 61.386 62.300 0.046 0.000 0.905 323 V CB 1.979 33.846 31.823 0.072 0.000 1.025 323 V HN 0.125 nan 8.190 nan 0.000 0.440 324 V N 7.834 127.772 119.914 0.040 0.000 2.539 324 V HA 0.323 4.443 4.120 -0.000 0.000 0.292 324 V C -0.899 175.181 176.094 -0.023 0.000 1.045 324 V CA -1.266 61.056 62.300 0.038 0.000 0.945 324 V CB 2.134 33.999 31.823 0.070 0.000 0.993 324 V HN 0.725 nan 8.190 nan 0.000 0.464 325 P HA -0.260 nan 4.420 nan 0.000 0.216 325 P C 1.581 178.847 177.300 -0.057 0.000 1.154 325 P CA 2.264 65.315 63.100 -0.081 0.000 0.865 325 P CB 0.067 31.731 31.700 -0.060 0.000 0.789 326 K N -0.059 120.326 120.400 -0.025 0.000 2.374 326 K HA -0.244 4.076 4.320 -0.000 0.000 0.202 326 K C 1.658 178.248 176.600 -0.017 0.000 1.044 326 K CA 2.297 58.575 56.287 -0.015 0.000 0.933 326 K CB -1.547 30.952 32.500 -0.002 0.000 0.745 326 K HN 0.271 nan 8.250 nan 0.000 0.474 327 D N -0.429 119.957 120.400 -0.023 0.000 2.278 327 D HA -0.018 4.622 4.640 -0.000 0.000 0.228 327 D C 2.198 178.482 176.300 -0.028 0.000 1.020 327 D CA 1.570 55.562 54.000 -0.013 0.000 0.922 327 D CB -0.490 40.310 40.800 -0.000 0.000 1.051 327 D HN 0.115 nan 8.370 nan 0.000 0.452 328 V N 1.843 121.716 119.914 -0.068 0.000 2.280 328 V HA -0.361 3.759 4.120 -0.000 0.000 0.258 328 V C 2.051 178.095 176.094 -0.083 0.000 1.081 328 V CA 2.060 64.288 62.300 -0.120 0.000 1.070 328 V CB -0.891 30.740 31.823 -0.320 0.000 0.666 328 V HN 0.237 nan 8.190 nan 0.000 0.450 329 N N 0.561 119.219 118.700 -0.069 0.000 2.022 329 N HA -0.128 4.612 4.740 -0.000 0.000 0.195 329 N C 1.679 177.178 175.510 -0.018 0.000 1.063 329 N CA 1.616 54.641 53.050 -0.041 0.000 0.851 329 N CB -0.283 38.186 38.487 -0.030 0.000 1.050 329 N HN 0.514 nan 8.380 nan 0.000 0.425 330 A N 0.150 122.965 122.820 -0.009 0.000 2.255 330 A HA 0.216 4.536 4.320 -0.000 0.000 0.206 330 A C 1.551 179.136 177.584 0.001 0.000 1.193 330 A CA 0.954 52.991 52.037 0.000 0.000 0.794 330 A CB -0.243 18.759 19.000 0.003 0.000 0.794 330 A HN 0.441 nan 8.150 nan 0.000 0.481 331 A N -1.206 121.611 122.820 -0.004 0.000 2.343 331 A HA 0.440 4.759 4.320 -0.000 0.000 0.223 331 A C 1.591 179.174 177.584 -0.002 0.000 1.214 331 A CA 0.194 52.234 52.037 0.005 0.000 0.900 331 A CB -0.103 18.907 19.000 0.017 0.000 0.942 331 A HN 0.396 nan 8.150 nan 0.000 0.507 332 I N -0.577 119.976 120.570 -0.028 0.000 2.429 332 I HA -0.055 4.115 4.170 -0.000 0.000 0.247 332 I C 2.827 178.935 176.117 -0.016 0.000 1.099 332 I CA 0.974 62.232 61.300 -0.070 0.000 1.422 332 I CB -0.114 37.805 38.000 -0.134 0.000 1.112 332 I HN 0.273 nan 8.210 nan 0.000 0.430 333 A N 0.772 123.599 122.820 0.013 0.000 1.927 333 A HA -0.306 4.014 4.320 -0.000 0.000 0.220 333 A C 2.377 179.974 177.584 0.021 0.000 1.185 333 A CA 2.889 54.945 52.037 0.031 0.000 0.639 333 A CB -1.439 17.576 19.000 0.026 0.000 0.820 333 A HN 0.528 nan 8.150 nan 0.000 0.451 334 T N -2.768 111.793 114.554 0.011 0.000 2.985 334 T HA 0.152 4.502 4.350 -0.000 0.000 0.266 334 T C 1.626 176.328 174.700 0.004 0.000 1.076 334 T CA 1.125 63.230 62.100 0.009 0.000 1.135 334 T CB -0.769 68.106 68.868 0.011 0.000 0.890 334 T HN 0.903 nan 8.240 nan 0.000 0.480 335 I N 0.165 120.736 120.570 0.001 0.000 3.605 335 I HA 0.465 4.635 4.170 -0.000 0.000 0.301 335 I C 2.150 178.218 176.117 -0.082 0.000 1.267 335 I CA 0.754 62.045 61.300 -0.015 0.000 1.236 335 I CB -1.411 36.632 38.000 0.072 0.000 1.010 335 I HN 0.390 nan 8.210 nan 0.000 0.491 336 K N -1.139 119.250 120.400 -0.019 0.000 2.436 336 K HA 0.064 4.384 4.320 -0.000 0.000 0.198 336 K C 1.951 178.555 176.600 0.006 0.000 1.174 336 K CA 1.151 57.449 56.287 0.018 0.000 0.951 336 K CB 0.659 33.209 32.500 0.083 0.000 1.040 336 K HN 0.517 nan 8.250 nan 0.000 0.536 337 T N 0.415 114.969 114.554 0.000 0.000 2.953 337 T HA 0.024 4.374 4.350 -0.000 0.000 0.247 337 T C 1.416 176.109 174.700 -0.011 0.000 1.029 337 T CA 1.206 63.306 62.100 -0.001 0.000 1.144 337 T CB 0.157 69.028 68.868 0.005 0.000 0.870 337 T HN 0.125 nan 8.240 nan 0.000 0.446 338 K N 1.664 122.055 120.400 -0.014 0.000 3.226 338 K HA 0.676 4.996 4.320 -0.000 0.000 0.268 338 K C 0.302 176.882 176.600 -0.033 0.000 1.217 338 K CA -0.199 56.078 56.287 -0.018 0.000 1.242 338 K CB -1.065 31.429 32.500 -0.009 0.000 1.389 338 K HN 0.624 nan 8.250 nan 0.000 0.406 339 R N -0.629 119.842 120.500 -0.049 0.000 2.680 339 R HA 0.635 4.975 4.340 -0.000 0.000 0.269 339 R C -0.262 175.988 176.300 -0.084 0.000 1.026 339 R CA -0.209 55.841 56.100 -0.082 0.000 0.889 339 R CB -0.085 30.125 30.300 -0.150 0.000 1.241 339 R HN 0.224 nan 8.270 nan 0.000 0.463 340 T N 3.041 117.538 114.554 -0.096 0.000 2.961 340 T HA 0.149 4.499 4.350 -0.000 0.000 0.270 340 T C 1.602 176.223 174.700 -0.133 0.000 0.926 340 T CA 0.473 62.511 62.100 -0.103 0.000 1.112 340 T CB -0.525 68.280 68.868 -0.106 0.000 0.926 340 T HN 0.557 nan 8.240 nan 0.000 0.612 341 I N 4.178 124.686 120.570 -0.103 0.000 2.058 341 I HA -0.060 4.110 4.170 -0.000 0.000 0.235 341 I C 1.770 177.794 176.117 -0.156 0.000 1.053 341 I CA 2.745 63.987 61.300 -0.097 0.000 1.313 341 I CB -0.830 37.161 38.000 -0.015 0.000 1.039 341 I HN 0.760 nan 8.210 nan 0.000 0.396 342 Q N -1.150 118.565 119.800 -0.142 0.000 2.477 342 Q HA -0.226 4.114 4.340 -0.000 0.000 0.279 342 Q C 0.105 176.008 176.000 -0.162 0.000 1.144 342 Q CA 1.157 56.846 55.803 -0.190 0.000 0.898 342 Q CB -3.426 25.105 28.738 -0.344 0.000 1.244 342 Q HN 0.595 nan 8.270 nan 0.000 0.485 343 F N -0.447 119.479 119.950 -0.041 0.000 2.424 343 F HA 0.501 5.028 4.527 -0.000 0.000 0.356 343 F C 1.284 176.963 175.800 -0.200 0.000 1.110 343 F CA -0.660 57.283 58.000 -0.095 0.000 1.161 343 F CB 1.938 40.873 39.000 -0.108 0.000 1.115 343 F HN 0.298 nan 8.300 nan 0.000 0.507 344 V N 6.427 126.324 119.914 -0.028 0.000 2.390 344 V HA -0.048 4.072 4.120 -0.000 0.000 0.260 344 V C 0.666 176.413 176.094 -0.579 0.000 1.043 344 V CA 0.535 62.634 62.300 -0.336 0.000 1.047 344 V CB -0.199 31.346 31.823 -0.464 0.000 1.066 344 V HN 1.003 nan 8.190 nan 0.000 0.481 345 D N 4.691 124.913 120.400 -0.295 0.000 4.333 345 D HA -0.285 4.355 4.640 -0.000 0.000 0.273 345 D C 1.008 177.245 176.300 -0.105 0.000 1.347 345 D CA 3.164 57.056 54.000 -0.181 0.000 2.007 345 D CB -0.841 39.915 40.800 -0.073 0.000 1.146 345 D HN 0.857 nan 8.370 nan 0.000 0.614 346 W N -1.463 119.843 121.300 0.010 0.000 2.324 346 W HA 0.420 5.080 4.660 -0.000 0.000 0.316 346 W C 0.186 176.670 176.519 -0.059 0.000 0.927 346 W CA -0.113 57.222 57.345 -0.018 0.000 1.438 346 W CB -0.699 28.762 29.460 0.002 0.000 1.085 346 W HN 0.265 nan 8.180 nan 0.000 0.532 347 C N 6.005 125.258 119.300 -0.079 0.000 2.168 347 C HA 0.343 4.803 4.460 -0.000 0.000 0.333 347 C C -0.120 174.630 174.990 -0.401 0.000 1.106 347 C CA -1.821 57.152 59.018 -0.074 0.000 1.574 347 C CB -0.701 26.941 27.740 -0.164 0.000 2.055 347 C HN 0.022 nan 8.230 nan 0.000 0.473 348 P HA -0.177 nan 4.420 nan 0.000 0.247 348 P C 0.208 177.209 177.300 -0.499 0.000 0.799 348 P CA 2.042 64.968 63.100 -0.291 0.000 1.118 348 P CB -0.040 31.525 31.700 -0.225 0.000 0.760 349 T N -2.103 112.074 114.554 -0.629 0.000 3.560 349 T HA 0.370 4.720 4.350 -0.000 0.000 0.256 349 T C 0.573 174.909 174.700 -0.608 0.000 0.734 349 T CA -0.028 61.634 62.100 -0.730 0.000 1.407 349 T CB 0.305 69.091 68.868 -0.137 0.000 0.933 349 T HN 0.365 nan 8.240 nan 0.000 0.561 350 G N 1.355 109.576 108.800 -0.965 0.000 2.135 350 G HA2 0.232 4.192 3.960 -0.000 0.000 0.169 350 G HA3 0.232 4.192 3.960 -0.000 0.000 0.169 350 G C 0.168 174.877 174.900 -0.319 0.000 1.597 350 G CA 0.112 44.896 45.100 -0.527 0.000 0.996 350 G HN 0.827 nan 8.290 nan 0.000 0.373 351 F N -1.323 118.692 119.950 0.108 0.000 2.448 351 F HA -0.036 4.491 4.527 -0.000 0.000 0.366 351 F C 0.910 176.716 175.800 0.009 0.000 1.110 351 F CA 0.082 58.135 58.000 0.087 0.000 1.228 351 F CB -1.960 37.110 39.000 0.117 0.000 1.732 351 F HN 0.629 nan 8.300 nan 0.000 0.795 352 K N 1.487 121.947 120.400 0.100 0.000 2.276 352 K HA 0.805 5.125 4.320 -0.000 0.000 0.283 352 K C -0.190 176.440 176.600 0.049 0.000 1.044 352 K CA -0.008 56.265 56.287 -0.023 0.000 0.944 352 K CB 1.445 33.817 32.500 -0.214 0.000 1.012 352 K HN 0.861 nan 8.250 nan 0.000 0.472 353 V N -1.323 118.612 119.914 0.034 0.000 3.001 353 V HA 0.972 5.092 4.120 -0.000 0.000 0.314 353 V C 0.325 176.470 176.094 0.085 0.000 1.099 353 V CA -0.706 61.640 62.300 0.077 0.000 0.989 353 V CB 2.159 33.938 31.823 -0.074 0.000 1.040 353 V HN 1.191 nan 8.190 nan 0.000 0.434 354 G N 2.549 111.443 108.800 0.158 0.000 2.704 354 G HA2 0.648 4.608 3.960 -0.000 0.000 0.279 354 G HA3 0.648 4.608 3.960 -0.000 0.000 0.279 354 G C -1.043 173.902 174.900 0.075 0.000 1.510 354 G CA -0.545 44.646 45.100 0.150 0.000 1.144 354 G HN 0.849 nan 8.290 nan 0.000 0.564 355 I N 0.191 120.715 120.570 -0.075 0.000 2.764 355 I HA 0.548 4.718 4.170 -0.000 0.000 0.294 355 I C 0.701 176.684 176.117 -0.224 0.000 1.045 355 I CA -1.072 60.127 61.300 -0.169 0.000 1.340 355 I CB 1.372 39.150 38.000 -0.370 0.000 1.436 355 I HN 0.382 nan 8.210 nan 0.000 0.567 356 N N -0.120 118.430 118.700 -0.250 0.000 2.067 356 N HA 0.178 4.918 4.740 -0.000 0.000 0.227 356 N C -0.089 175.394 175.510 -0.044 0.000 1.348 356 N CA -0.010 52.984 53.050 -0.092 0.000 0.879 356 N CB 0.288 38.833 38.487 0.096 0.000 1.109 356 N HN 0.734 nan 8.380 nan 0.000 0.501 357 Y N -1.210 119.098 120.300 0.014 0.000 3.049 357 Y HA -0.374 4.176 4.550 -0.000 0.000 0.478 357 Y C 0.425 176.278 175.900 -0.078 0.000 1.177 357 Y CA 1.055 59.139 58.100 -0.027 0.000 2.663 357 Y CB -0.887 37.552 38.460 -0.035 0.000 0.854 357 Y HN 0.170 nan 8.280 nan 0.000 0.525 358 Q N 3.687 123.481 119.800 -0.010 0.000 2.244 358 Q HA 0.091 4.431 4.340 -0.000 0.000 0.276 358 Q C -2.319 173.614 176.000 -0.111 0.000 1.122 358 Q CA -1.205 54.481 55.803 -0.195 0.000 0.920 358 Q CB 0.537 28.905 28.738 -0.616 0.000 1.186 358 Q HN 0.112 nan 8.270 nan 0.000 0.393 359 P HA -0.089 nan 4.420 nan 0.000 0.259 359 P C -2.411 174.875 177.300 -0.024 0.000 1.155 359 P CA -0.484 62.596 63.100 -0.034 0.000 0.759 359 P CB -0.108 31.571 31.700 -0.036 0.000 0.753 360 P HA 0.087 nan 4.420 nan 0.000 0.225 360 P C -0.455 176.884 177.300 0.064 0.000 1.813 360 P CA 0.004 63.143 63.100 0.064 0.000 1.013 360 P CB -0.348 31.408 31.700 0.094 0.000 1.961 361 T N 1.578 116.156 114.554 0.041 0.000 2.853 361 T HA 0.217 4.567 4.350 -0.000 0.000 0.298 361 T C 0.872 175.600 174.700 0.046 0.000 0.978 361 T CA 0.014 62.137 62.100 0.038 0.000 1.152 361 T CB 0.204 69.088 68.868 0.027 0.000 0.914 361 T HN 0.084 nan 8.240 nan 0.000 0.539 362 V N 2.263 122.199 119.914 0.037 0.000 3.302 362 V HA 0.728 4.848 4.120 -0.000 0.000 0.316 362 V C 0.225 176.336 176.094 0.028 0.000 1.111 362 V CA -1.041 61.273 62.300 0.023 0.000 1.029 362 V CB 1.018 32.848 31.823 0.013 0.000 1.170 362 V HN 0.575 nan 8.190 nan 0.000 0.452 363 V N 1.105 121.031 119.914 0.021 0.000 2.686 363 V HA 0.294 4.414 4.120 -0.000 0.000 0.295 363 V C -0.994 175.112 176.094 0.020 0.000 1.055 363 V CA -0.675 61.644 62.300 0.032 0.000 1.050 363 V CB 0.564 32.405 31.823 0.030 0.000 0.984 363 V HN 0.937 nan 8.190 nan 0.000 0.482 364 P HA 0.043 nan 4.420 nan 0.000 0.219 364 P C 1.156 178.457 177.300 0.001 0.000 1.154 364 P CA 1.159 64.265 63.100 0.011 0.000 0.826 364 P CB 0.274 31.984 31.700 0.017 0.000 0.795 365 G N -0.158 108.644 108.800 0.004 0.000 3.327 365 G HA2 0.307 4.267 3.960 -0.000 0.000 0.240 365 G HA3 0.307 4.267 3.960 -0.000 0.000 0.240 365 G C 0.808 175.706 174.900 -0.004 0.000 1.222 365 G CA 0.155 45.252 45.100 -0.003 0.000 0.871 365 G HN 0.417 nan 8.290 nan 0.000 0.525 366 G N 0.203 109.001 108.800 -0.004 0.000 2.504 366 G HA2 0.416 4.376 3.960 -0.000 0.000 0.257 366 G HA3 0.416 4.376 3.960 -0.000 0.000 0.257 366 G C 0.201 175.090 174.900 -0.018 0.000 1.451 366 G CA 0.270 45.365 45.100 -0.008 0.000 1.059 366 G HN 0.210 nan 8.290 nan 0.000 0.550 367 D N -1.590 118.798 120.400 -0.021 0.000 2.331 367 D HA 0.078 4.718 4.640 -0.000 0.000 0.300 367 D C 0.739 177.024 176.300 -0.025 0.000 1.090 367 D CA -0.389 53.595 54.000 -0.026 0.000 0.905 367 D CB -0.275 40.510 40.800 -0.025 0.000 1.600 367 D HN 0.362 nan 8.370 nan 0.000 0.511 368 L N 0.699 121.909 121.223 -0.021 0.000 2.516 368 L HA 0.476 4.816 4.340 -0.000 0.000 0.288 368 L C 0.464 177.325 176.870 -0.014 0.000 1.246 368 L CA -0.414 54.419 54.840 -0.012 0.000 0.844 368 L CB 0.014 42.061 42.059 -0.020 0.000 1.106 368 L HN 0.001 nan 8.230 nan 0.000 0.509 369 A N 1.600 124.416 122.820 -0.006 0.000 2.392 369 A HA 0.670 4.990 4.320 -0.000 0.000 0.283 369 A C -0.526 177.061 177.584 0.004 0.000 1.197 369 A CA -0.930 51.094 52.037 -0.021 0.000 0.895 369 A CB 0.681 19.653 19.000 -0.047 0.000 1.400 369 A HN 0.818 nan 8.150 nan 0.000 0.461 370 K N -0.203 120.196 120.400 -0.001 0.000 2.436 370 K HA 0.422 4.742 4.320 -0.000 0.000 0.275 370 K C -0.780 175.845 176.600 0.041 0.000 0.999 370 K CA -0.142 56.160 56.287 0.025 0.000 0.980 370 K CB 0.322 32.840 32.500 0.031 0.000 0.919 370 K HN 0.405 nan 8.250 nan 0.000 0.484 371 V N 0.315 120.258 119.914 0.047 0.000 2.709 371 V HA 0.366 4.486 4.120 -0.000 0.000 0.308 371 V C 1.075 177.192 176.094 0.039 0.000 1.062 371 V CA -0.494 61.835 62.300 0.048 0.000 0.901 371 V CB 0.925 32.784 31.823 0.060 0.000 1.003 371 V HN 0.920 nan 8.190 nan 0.000 0.425 372 Q N 2.818 122.638 119.800 0.034 0.000 2.378 372 Q HA 0.208 4.548 4.340 -0.000 0.000 0.205 372 Q C 0.848 176.860 176.000 0.020 0.000 0.954 372 Q CA 1.541 57.362 55.803 0.030 0.000 0.901 372 Q CB 0.159 28.917 28.738 0.033 0.000 0.981 372 Q HN 0.931 nan 8.270 nan 0.000 0.483 373 R N -3.603 116.898 120.500 0.002 0.000 2.833 373 R HA 0.724 5.064 4.340 -0.000 0.000 0.259 373 R C -1.933 174.312 176.300 -0.091 0.000 1.047 373 R CA -0.156 55.930 56.100 -0.023 0.000 0.916 373 R CB 0.256 30.553 30.300 -0.005 0.000 1.259 373 R HN 0.568 nan 8.270 nan 0.000 0.482 374 A N 2.164 124.888 122.820 -0.160 0.000 2.488 374 A HA 0.642 4.962 4.320 -0.000 0.000 0.298 374 A C -0.710 176.580 177.584 -0.490 0.000 1.044 374 A CA -0.698 51.133 52.037 -0.343 0.000 0.693 374 A CB 1.962 20.758 19.000 -0.339 0.000 1.272 374 A HN 0.467 nan 8.150 nan 0.000 0.402 375 V N -0.019 119.499 119.914 -0.660 0.000 3.369 375 V HA 0.538 4.658 4.120 -0.000 0.000 0.309 375 V C 0.985 176.739 176.094 -0.567 0.000 1.069 375 V CA -0.002 61.849 62.300 -0.748 0.000 1.042 375 V CB 1.414 32.779 31.823 -0.763 0.000 1.192 375 V HN 1.293 nan 8.190 nan 0.000 0.447 376 C N 0.079 119.144 119.300 -0.392 0.000 4.061 376 C HA 0.452 4.912 4.460 -0.000 0.000 0.568 376 C C 0.523 175.424 174.990 -0.147 0.000 1.261 376 C CA 0.368 59.256 59.018 -0.217 0.000 2.569 376 C CB -0.383 27.287 27.740 -0.117 0.000 3.702 376 C HN 1.049 nan 8.230 nan 0.000 0.477 377 M N 1.344 120.866 119.600 -0.130 0.000 4.022 377 M HA -0.166 4.314 4.480 -0.000 0.000 0.157 377 M C -1.809 174.488 176.300 -0.006 0.000 1.529 377 M CA 0.757 56.002 55.300 -0.091 0.000 1.089 377 M CB -0.534 31.926 32.600 -0.234 0.000 1.344 377 M HN 0.375 nan 8.290 nan 0.000 0.220 378 L N 6.127 127.397 121.223 0.078 0.000 2.313 378 L HA 0.580 4.920 4.340 -0.000 0.000 0.273 378 L C -0.048 176.920 176.870 0.163 0.000 1.028 378 L CA -0.498 54.423 54.840 0.134 0.000 0.871 378 L CB 0.978 43.142 42.059 0.175 0.000 1.242 378 L HN 0.772 nan 8.230 nan 0.000 0.434 379 S N 1.369 117.148 115.700 0.133 0.000 2.454 379 S HA 0.378 4.848 4.470 -0.000 0.000 0.306 379 S C -0.585 174.134 174.600 0.199 0.000 1.100 379 S CA -0.873 57.386 58.200 0.099 0.000 1.087 379 S CB 2.127 65.296 63.200 -0.053 0.000 1.019 379 S HN 0.602 nan 8.310 nan 0.000 0.480 380 N N 1.453 120.285 118.700 0.221 0.000 2.425 380 N HA 0.402 5.142 4.740 -0.000 0.000 0.268 380 N C -1.147 174.566 175.510 0.339 0.000 0.991 380 N CA -0.027 53.195 53.050 0.287 0.000 0.931 380 N CB 1.085 39.732 38.487 0.267 0.000 1.130 380 N HN 0.699 nan 8.380 nan 0.000 0.493 381 T N 0.726 115.502 114.554 0.369 0.000 2.909 381 T HA 0.102 4.452 4.350 -0.000 0.000 0.299 381 T C 1.000 175.893 174.700 0.322 0.000 1.073 381 T CA -0.479 61.822 62.100 0.334 0.000 0.999 381 T CB 1.621 70.672 68.868 0.305 0.000 1.098 381 T HN 0.439 nan 8.240 nan 0.000 0.477 382 T N 2.012 116.726 114.554 0.267 0.000 3.155 382 T HA 0.152 4.502 4.350 -0.000 0.000 0.264 382 T C 1.638 176.389 174.700 0.084 0.000 1.160 382 T CA 1.346 63.641 62.100 0.325 0.000 1.075 382 T CB -0.657 68.356 68.868 0.242 0.000 0.921 382 T HN 0.681 nan 8.240 nan 0.000 0.533 383 A N 0.098 122.926 122.820 0.013 0.000 2.132 383 A HA 0.276 4.596 4.320 -0.000 0.000 0.213 383 A C 2.219 179.723 177.584 -0.133 0.000 1.154 383 A CA 0.595 52.590 52.037 -0.069 0.000 0.753 383 A CB -0.192 18.756 19.000 -0.087 0.000 0.826 383 A HN 0.479 nan 8.150 nan 0.000 0.469 384 V N -0.025 119.810 119.914 -0.131 0.000 2.867 384 V HA -0.214 3.906 4.120 -0.000 0.000 0.260 384 V C 2.726 178.525 176.094 -0.492 0.000 1.099 384 V CA 1.488 63.627 62.300 -0.269 0.000 1.122 384 V CB -1.371 30.381 31.823 -0.119 0.000 0.708 384 V HN 0.547 nan 8.190 nan 0.000 0.490 385 A N -0.239 122.302 122.820 -0.465 0.000 2.121 385 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 385 A C 2.232 179.725 177.584 -0.152 0.000 1.154 385 A CA 1.523 53.354 52.037 -0.344 0.000 0.679 385 A CB -0.385 18.429 19.000 -0.309 0.000 0.795 385 A HN 0.606 nan 8.150 nan 0.000 0.458 386 E N -0.046 120.043 120.200 -0.185 0.000 2.051 386 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 386 E C 2.077 178.589 176.600 -0.147 0.000 0.991 386 E CA 1.061 57.382 56.400 -0.131 0.000 0.799 386 E CB -0.217 29.403 29.700 -0.134 0.000 0.748 386 E HN 0.585 nan 8.360 nan 0.000 0.449 387 A N -0.425 122.205 122.820 -0.316 0.000 2.172 387 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 387 A C 1.504 178.950 177.584 -0.229 0.000 1.154 387 A CA 0.557 52.350 52.037 -0.408 0.000 0.701 387 A CB -0.828 17.635 19.000 -0.895 0.000 0.789 387 A HN 0.488 nan 8.150 nan 0.000 0.465 388 W N -1.353 119.850 121.300 -0.160 0.000 2.658 388 W HA 0.183 4.843 4.660 -0.000 0.000 0.263 388 W C 2.226 178.689 176.519 -0.093 0.000 1.274 388 W CA 0.529 57.781 57.345 -0.155 0.000 1.343 388 W CB 0.364 29.676 29.460 -0.247 0.000 1.106 388 W HN 0.394 nan 8.180 nan 0.000 0.615 389 A N -0.376 122.545 122.820 0.168 0.000 2.192 389 A HA 0.122 4.442 4.320 -0.000 0.000 0.208 389 A C 1.682 179.345 177.584 0.133 0.000 1.220 389 A CA -0.137 51.971 52.037 0.118 0.000 0.900 389 A CB -0.209 18.828 19.000 0.062 0.000 0.937 389 A HN 0.094 nan 8.150 nan 0.000 0.487 390 R N -0.728 119.841 120.500 0.114 0.000 2.127 390 R HA -0.125 4.215 4.340 -0.000 0.000 0.238 390 R C 1.797 178.191 176.300 0.155 0.000 1.134 390 R CA 1.531 57.708 56.100 0.129 0.000 0.975 390 R CB -0.334 30.026 30.300 0.100 0.000 0.865 390 R HN 0.433 nan 8.270 nan 0.000 0.447 391 L N 0.559 121.883 121.223 0.169 0.000 2.102 391 L HA -0.052 4.288 4.340 -0.000 0.000 0.202 391 L C 1.481 178.440 176.870 0.148 0.000 1.076 391 L CA 1.746 56.654 54.840 0.114 0.000 0.761 391 L CB -0.256 41.857 42.059 0.089 0.000 0.921 391 L HN -0.009 nan 8.230 nan 0.000 0.444 392 D N -1.432 119.059 120.400 0.151 0.000 2.182 392 D HA -0.244 4.396 4.640 -0.000 0.000 0.201 392 D C 1.964 178.415 176.300 0.253 0.000 0.986 392 D CA 1.245 55.324 54.000 0.132 0.000 0.847 392 D CB -0.046 40.778 40.800 0.040 0.000 0.942 392 D HN 0.522 nan 8.370 nan 0.000 0.467 393 H N 0.745 119.885 119.070 0.116 0.000 2.270 393 H HA -0.105 4.451 4.556 0.000 0.000 0.299 393 H C 2.006 177.419 175.328 0.141 0.000 1.077 393 H CA 1.423 57.541 56.048 0.117 0.000 1.294 393 H CB 0.325 30.133 29.762 0.077 0.000 1.371 393 H HN -0.045 nan 8.280 nan 0.000 0.491 394 K N -0.016 120.429 120.400 0.076 0.000 2.052 394 K HA -0.257 4.063 4.320 -0.000 0.000 0.215 394 K C 2.045 178.710 176.600 0.108 0.000 1.053 394 K CA 2.167 58.455 56.287 0.002 0.000 0.934 394 K CB -0.487 32.015 32.500 0.002 0.000 0.717 394 K HN 0.191 nan 8.250 nan 0.000 0.450 395 F N 2.188 122.188 119.950 0.083 0.000 2.008 395 F HA -0.375 4.152 4.527 0.000 0.000 0.297 395 F C 1.998 177.942 175.800 0.239 0.000 1.156 395 F CA 2.004 60.122 58.000 0.197 0.000 1.191 395 F CB -0.437 38.631 39.000 0.113 0.000 0.955 395 F HN 0.103 nan 8.300 nan 0.000 0.497 396 D N 0.711 121.469 120.400 0.598 0.000 2.472 396 D HA -0.297 4.343 4.640 -0.000 0.000 0.194 396 D C 2.188 178.660 176.300 0.287 0.000 1.023 396 D CA 2.560 56.846 54.000 0.475 0.000 0.869 396 D CB -1.043 39.986 40.800 0.382 0.000 0.997 396 D HN 0.547 nan 8.370 nan 0.000 0.463 397 L N -2.116 119.214 121.223 0.178 0.000 2.395 397 L HA 0.094 4.434 4.340 -0.000 0.000 0.218 397 L C 2.300 179.220 176.870 0.084 0.000 1.130 397 L CA 0.674 55.579 54.840 0.108 0.000 0.826 397 L CB -0.284 41.792 42.059 0.030 0.000 0.941 397 L HN -0.008 nan 8.230 nan 0.000 0.451 398 M N -0.630 119.021 119.600 0.086 0.000 2.098 398 M HA -0.171 4.309 4.480 -0.000 0.000 0.262 398 M C 2.237 178.653 176.300 0.193 0.000 1.072 398 M CA 1.842 57.205 55.300 0.103 0.000 1.133 398 M CB -0.314 32.286 32.600 -0.000 0.000 1.344 398 M HN 0.314 nan 8.290 nan 0.000 0.414 399 Y N 0.488 120.819 120.300 0.052 0.000 2.421 399 Y HA -0.064 4.486 4.550 -0.000 0.000 0.292 399 Y C 2.099 178.027 175.900 0.048 0.000 1.136 399 Y CA 1.175 59.267 58.100 -0.012 0.000 1.255 399 Y CB -0.230 38.067 38.460 -0.272 0.000 0.991 399 Y HN 0.234 nan 8.280 nan 0.000 0.552 400 A N -0.695 122.212 122.820 0.145 0.000 2.248 400 A HA -0.061 4.259 4.320 -0.000 0.000 0.210 400 A C 1.530 179.118 177.584 0.006 0.000 1.174 400 A CA 1.197 53.288 52.037 0.090 0.000 0.750 400 A CB -0.358 18.716 19.000 0.123 0.000 0.780 400 A HN 0.381 nan 8.150 nan 0.000 0.478 401 K N -1.891 118.494 120.400 -0.026 0.000 2.644 401 K HA 0.236 4.556 4.320 -0.000 0.000 0.198 401 K C 0.355 176.907 176.600 -0.080 0.000 1.113 401 K CA -0.369 55.895 56.287 -0.039 0.000 1.073 401 K CB 0.679 33.184 32.500 0.009 0.000 0.811 401 K HN 0.087 nan 8.250 nan 0.000 0.508 402 R N -1.068 119.298 120.500 -0.223 0.000 4.024 402 R HA -0.307 4.033 4.340 -0.000 0.000 0.391 402 R C 1.019 177.346 176.300 0.045 0.000 1.157 402 R CA 1.090 57.023 56.100 -0.278 0.000 1.215 402 R CB -2.687 27.479 30.300 -0.222 0.000 1.738 402 R HN 0.449 nan 8.270 nan 0.000 0.566 403 A N 0.012 122.925 122.820 0.155 0.000 2.557 403 A HA -0.320 4.000 4.320 -0.000 0.000 0.260 403 A C 1.409 179.204 177.584 0.352 0.000 2.292 403 A CA 2.533 54.761 52.037 0.318 0.000 1.035 403 A CB -1.420 17.883 19.000 0.506 0.000 0.477 403 A HN 0.268 nan 8.150 nan 0.000 0.426 404 F N -1.420 118.685 119.950 0.257 0.000 2.695 404 F HA 0.257 4.784 4.527 -0.000 0.000 0.303 404 F C 1.967 178.002 175.800 0.391 0.000 1.091 404 F CA -0.171 58.008 58.000 0.298 0.000 1.300 404 F CB -0.514 38.583 39.000 0.161 0.000 1.071 404 F HN 0.227 nan 8.300 nan 0.000 0.578 405 V N 2.444 122.687 119.914 0.548 0.000 2.277 405 V HA -0.474 3.646 4.120 -0.000 0.000 0.256 405 V C 2.943 179.198 176.094 0.268 0.000 1.069 405 V CA 3.018 65.437 62.300 0.199 0.000 1.096 405 V CB -0.626 31.132 31.823 -0.108 0.000 0.741 405 V HN 0.626 nan 8.190 nan 0.000 0.470 406 H N -2.899 116.268 119.070 0.161 0.000 2.457 406 H HA -0.247 4.309 4.556 -0.000 0.000 0.297 406 H C 2.021 177.365 175.328 0.026 0.000 1.092 406 H CA 1.943 58.002 56.048 0.017 0.000 1.309 406 H CB -1.163 28.509 29.762 -0.151 0.000 1.382 406 H HN 0.692 nan 8.280 nan 0.000 0.535 407 W N 1.046 122.136 121.300 -0.351 0.000 2.468 407 W HA -0.092 4.568 4.660 -0.000 0.000 0.262 407 W C 1.478 177.917 176.519 -0.132 0.000 1.241 407 W CA 0.940 58.143 57.345 -0.237 0.000 1.232 407 W CB -0.246 29.016 29.460 -0.330 0.000 1.124 407 W HN 0.187 nan 8.180 nan 0.000 0.597 408 Y N -1.513 118.978 120.300 0.319 0.000 2.239 408 Y HA -0.091 4.459 4.550 0.000 0.000 0.293 408 Y C 2.322 178.356 175.900 0.224 0.000 1.126 408 Y CA 0.726 59.032 58.100 0.343 0.000 1.128 408 Y CB -1.323 37.440 38.460 0.505 0.000 1.066 408 Y HN -0.351 nan 8.280 nan 0.000 0.516 409 V N 0.560 120.674 119.914 0.334 0.000 2.370 409 V HA -0.335 3.785 4.120 -0.000 0.000 0.252 409 V C 2.412 178.577 176.094 0.119 0.000 1.068 409 V CA 1.985 64.394 62.300 0.182 0.000 1.061 409 V CB -1.700 30.187 31.823 0.106 0.000 0.656 409 V HN 0.613 nan 8.190 nan 0.000 0.455 410 G N 0.120 108.979 108.800 0.098 0.000 2.484 410 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.215 410 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.215 410 G C 1.296 176.240 174.900 0.073 0.000 1.219 410 G CA 0.679 45.805 45.100 0.043 0.000 0.791 410 G HN 0.560 nan 8.290 nan 0.000 0.550 411 E N 0.856 121.133 120.200 0.128 0.000 2.515 411 E HA 0.088 4.438 4.350 -0.000 0.000 0.201 411 E C 1.632 178.307 176.600 0.124 0.000 1.071 411 E CA 0.686 57.173 56.400 0.144 0.000 0.880 411 E CB -0.071 29.747 29.700 0.196 0.000 0.828 411 E HN 0.586 nan 8.360 nan 0.000 0.540 412 G N 0.636 109.488 108.800 0.087 0.000 2.198 412 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.156 412 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.156 412 G C 0.211 175.037 174.900 -0.124 0.000 1.012 412 G CA -0.110 44.970 45.100 -0.035 0.000 0.692 412 G HN 0.093 nan 8.290 nan 0.000 0.492 413 M N 0.247 119.873 119.600 0.044 0.000 2.114 413 M HA 0.608 5.088 4.480 -0.000 0.000 0.280 413 M C 0.634 176.999 176.300 0.108 0.000 1.209 413 M CA -0.087 55.272 55.300 0.097 0.000 1.044 413 M CB 0.789 33.640 32.600 0.419 0.000 1.404 413 M HN 0.198 nan 8.290 nan 0.000 0.499 414 E N -0.370 119.926 120.200 0.160 0.000 2.222 414 E HA 0.122 4.472 4.350 -0.000 0.000 0.267 414 E C 0.124 176.842 176.600 0.197 0.000 0.963 414 E CA -0.286 56.199 56.400 0.142 0.000 0.837 414 E CB 1.275 31.045 29.700 0.117 0.000 1.183 414 E HN 0.559 nan 8.360 nan 0.000 0.403 415 E N 1.521 121.803 120.200 0.137 0.000 2.051 415 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 415 E C 1.521 178.249 176.600 0.213 0.000 0.991 415 E CA 1.163 57.652 56.400 0.148 0.000 0.799 415 E CB -0.076 29.684 29.700 0.099 0.000 0.748 415 E HN 0.731 nan 8.360 nan 0.000 0.449 416 G N 0.880 109.773 108.800 0.155 0.000 2.776 416 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.209 416 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.209 416 G C 1.210 176.178 174.900 0.113 0.000 1.145 416 G CA 0.409 45.582 45.100 0.122 0.000 0.791 416 G HN 0.225 nan 8.290 nan 0.000 0.530 417 E N -0.082 120.219 120.200 0.168 0.000 2.001 417 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 417 E C 1.863 178.506 176.600 0.071 0.000 0.994 417 E CA 0.586 57.078 56.400 0.153 0.000 0.815 417 E CB -0.275 29.571 29.700 0.243 0.000 0.770 417 E HN 0.282 nan 8.360 nan 0.000 0.453 418 F N 0.909 120.821 119.950 -0.063 0.000 2.063 418 F HA -0.315 4.212 4.527 -0.000 0.000 0.298 418 F C 2.899 178.520 175.800 -0.297 0.000 1.105 418 F CA 1.811 59.693 58.000 -0.196 0.000 1.215 418 F CB -0.853 38.036 39.000 -0.186 0.000 0.972 418 F HN 0.096 nan 8.300 nan 0.000 0.483 419 S N -0.803 114.907 115.700 0.017 0.000 2.348 419 S HA -0.223 4.247 4.470 -0.000 0.000 0.221 419 S C 2.154 176.682 174.600 -0.121 0.000 1.033 419 S CA 1.523 59.694 58.200 -0.048 0.000 1.010 419 S CB -0.417 62.826 63.200 0.072 0.000 0.891 419 S HN 0.511 nan 8.310 nan 0.000 0.442 420 E N 0.576 120.712 120.200 -0.107 0.000 2.371 420 E HA 0.091 4.441 4.350 -0.000 0.000 0.194 420 E C 1.754 178.132 176.600 -0.370 0.000 1.012 420 E CA 0.788 57.086 56.400 -0.171 0.000 0.860 420 E CB -0.148 29.501 29.700 -0.085 0.000 0.811 420 E HN 0.480 nan 8.360 nan 0.000 0.502 421 A N 1.609 124.183 122.820 -0.410 0.000 1.874 421 A HA -0.078 4.242 4.320 -0.000 0.000 0.214 421 A C 2.292 179.516 177.584 -0.600 0.000 1.189 421 A CA 1.326 52.983 52.037 -0.634 0.000 0.615 421 A CB -0.427 18.350 19.000 -0.372 0.000 0.830 421 A HN 0.211 nan 8.150 nan 0.000 0.443 422 R N 0.470 120.617 120.500 -0.588 0.000 2.189 422 R HA -0.033 4.307 4.340 -0.000 0.000 0.223 422 R C 1.481 177.534 176.300 -0.412 0.000 1.092 422 R CA 1.616 57.331 56.100 -0.641 0.000 0.989 422 R CB -0.439 29.374 30.300 -0.812 0.000 0.876 422 R HN 0.602 nan 8.270 nan 0.000 0.457 423 E N -0.587 119.410 120.200 -0.337 0.000 2.511 423 E HA -0.106 4.244 4.350 -0.000 0.000 0.196 423 E C 0.325 176.766 176.600 -0.265 0.000 1.066 423 E CA 0.570 56.825 56.400 -0.242 0.000 0.871 423 E CB 0.188 29.782 29.700 -0.177 0.000 0.863 423 E HN 0.353 nan 8.360 nan 0.000 0.520 424 D N -0.626 119.554 120.400 -0.366 0.000 2.525 424 D HA 0.006 4.646 4.640 -0.000 0.000 0.248 424 D C 1.765 177.884 176.300 -0.302 0.000 1.000 424 D CA 0.456 54.253 54.000 -0.338 0.000 0.923 424 D CB 0.318 40.838 40.800 -0.466 0.000 1.101 424 D HN -0.013 nan 8.370 nan 0.000 0.493 425 M N 0.661 120.042 119.600 -0.365 0.000 2.202 425 M HA -0.029 4.451 4.480 -0.000 0.000 0.262 425 M C 2.225 178.366 176.300 -0.265 0.000 1.063 425 M CA 0.950 56.025 55.300 -0.374 0.000 1.097 425 M CB -0.974 31.370 32.600 -0.427 0.000 1.382 425 M HN 0.081 nan 8.290 nan 0.000 0.413 426 A N 0.738 123.420 122.820 -0.230 0.000 1.892 426 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 426 A C 2.484 179.997 177.584 -0.119 0.000 1.188 426 A CA 2.421 54.367 52.037 -0.153 0.000 0.631 426 A CB -0.887 18.029 19.000 -0.141 0.000 0.822 426 A HN 0.499 nan 8.150 nan 0.000 0.447 427 A N -0.767 121.973 122.820 -0.133 0.000 1.872 427 A HA 0.042 4.362 4.320 -0.000 0.000 0.214 427 A C 2.211 179.749 177.584 -0.076 0.000 1.187 427 A CA 1.479 53.459 52.037 -0.095 0.000 0.614 427 A CB -0.639 18.302 19.000 -0.099 0.000 0.826 427 A HN 0.656 nan 8.150 nan 0.000 0.442 428 L N -0.247 120.904 121.223 -0.119 0.000 2.017 428 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 428 L C 2.420 179.313 176.870 0.038 0.000 1.073 428 L CA 2.080 56.871 54.840 -0.081 0.000 0.745 428 L CB -0.360 41.544 42.059 -0.258 0.000 0.894 428 L HN 0.464 nan 8.230 nan 0.000 0.432 429 E N -0.464 119.709 120.200 -0.045 0.000 2.085 429 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 429 E C 2.108 178.755 176.600 0.078 0.000 0.994 429 E CA 1.102 57.520 56.400 0.029 0.000 0.801 429 E CB -0.034 29.650 29.700 -0.028 0.000 0.743 429 E HN 0.394 nan 8.360 nan 0.000 0.453 430 K N 0.709 121.126 120.400 0.029 0.000 2.116 430 K HA -0.107 4.213 4.320 -0.000 0.000 0.203 430 K C 1.671 178.293 176.600 0.037 0.000 1.052 430 K CA 0.670 56.973 56.287 0.026 0.000 0.952 430 K CB 0.010 32.506 32.500 -0.007 0.000 0.729 430 K HN 0.105 nan 8.250 nan 0.000 0.446 431 D N -0.092 120.325 120.400 0.029 0.000 2.106 431 D HA -0.204 4.436 4.640 -0.000 0.000 0.191 431 D C 1.855 178.166 176.300 0.018 0.000 0.997 431 D CA 1.353 55.353 54.000 -0.000 0.000 0.834 431 D CB -0.206 40.588 40.800 -0.009 0.000 0.956 431 D HN 0.164 nan 8.370 nan 0.000 0.448 432 Y N 1.498 121.826 120.300 0.048 0.000 2.122 432 Y HA -0.205 4.345 4.550 -0.000 0.000 0.249 432 Y C 2.547 178.476 175.900 0.048 0.000 1.070 432 Y CA 1.744 59.898 58.100 0.090 0.000 1.059 432 Y CB -0.370 38.174 38.460 0.139 0.000 0.988 432 Y HN -0.097 nan 8.280 nan 0.000 0.480 433 E N 0.642 121.012 120.200 0.284 0.000 2.370 433 E HA -0.327 4.023 4.350 -0.000 0.000 0.205 433 E C 1.751 178.402 176.600 0.084 0.000 1.037 433 E CA 1.656 58.143 56.400 0.145 0.000 0.845 433 E CB -0.160 29.596 29.700 0.093 0.000 0.753 433 E HN 0.643 nan 8.360 nan 0.000 0.507 434 E N -0.325 119.914 120.200 0.065 0.000 2.014 434 E HA -0.110 4.239 4.350 -0.000 0.000 0.190 434 E C 2.231 178.841 176.600 0.016 0.000 0.980 434 E CA 1.019 57.433 56.400 0.024 0.000 0.807 434 E CB 0.091 29.789 29.700 -0.003 0.000 0.770 434 E HN 0.141 nan 8.360 nan 0.000 0.451 435 V N 1.607 121.507 119.914 -0.024 0.000 2.370 435 V HA -0.237 3.883 4.120 -0.000 0.000 0.252 435 V C 1.545 177.699 176.094 0.100 0.000 1.068 435 V CA 1.437 63.737 62.300 0.000 0.000 1.061 435 V CB -1.212 30.529 31.823 -0.137 0.000 0.656 435 V HN 0.344 nan 8.190 nan 0.000 0.455 436 G N -0.778 108.060 108.800 0.064 0.000 2.670 436 G HA2 0.300 4.260 3.960 -0.000 0.000 0.233 436 G HA3 0.300 4.260 3.960 -0.000 0.000 0.233 436 G C 0.417 175.331 174.900 0.023 0.000 1.251 436 G CA 0.030 45.157 45.100 0.044 0.000 0.849 436 G HN 1.164 nan 8.290 nan 0.000 0.588 437 A N 0.998 123.807 122.820 -0.018 0.000 2.243 437 A HA -0.024 4.296 4.320 -0.000 0.000 0.304 437 A C 0.287 177.872 177.584 0.002 0.000 1.136 437 A CA 1.687 53.707 52.037 -0.029 0.000 1.385 437 A CB -0.398 18.584 19.000 -0.030 0.000 0.753 437 A HN 0.959 nan 8.150 nan 0.000 0.307 438 D N -0.368 120.033 120.400 0.002 0.000 2.636 438 D HA 0.834 5.474 4.640 -0.000 0.000 0.275 438 D C -0.123 176.194 176.300 0.029 0.000 1.130 438 D CA 0.598 54.619 54.000 0.036 0.000 1.031 438 D CB 1.885 42.738 40.800 0.090 0.000 1.451 438 D HN 0.755 nan 8.370 nan 0.000 0.505 439 S N 0.000 115.724 115.700 0.040 0.000 2.498 439 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 439 S CA 0.000 58.220 58.200 0.033 0.000 1.107 439 S CB 0.000 63.212 63.200 0.021 0.000 0.593 439 S HN 0.000 nan 8.310 nan 0.000 0.517