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 1qni_1_A DATA FIRST_RESID 10 DATA SEQUENCE AHVAPGELDE YYGFWSGGHQ GEVRVLGVPS MRELMRIPVF NVDSATGWGI DATA SEQUENCE TNESKEILGG DQQYLNGDCH HPHISMTDGR YDGKYLFIND KANTRVARIR DATA SEQUENCE LDIMKTDKIT HIPNVQAIHG LRLQKVPKTN YVFCNAEFVI PQPNDGTDFS DATA SEQUENCE LDNSYTMFTA IDAETMDVAW QVIVDGNLDN TDADYTGKYA TSTCYNSERA DATA SEQUENCE VDLAGTMRND RDWVVVFNVE RIAAAVKAGN FKTIGDSKVP VVDGRGESEF DATA SEQUENCE TRYIPVPKNP HGLNTSPDGK YFIANGKLSP TVSVIAIDKL DDLFEDKIEL DATA SEQUENCE RDTIVAEPEL GLGPLHTTFD GRGNAYTTLF IDSQVCKWNI ADAIKHYNGD DATA SEQUENCE RVNYIRQKLD VQYQPGHNHA SLTESRDADG KWLVVLSKFS KDRFLPVGPL DATA SEQUENCE HPENDQLIDI SGEEMKLVHD GPTYAEPHDC ILVRRDQIKT KKIYERNDPY DATA SEQUENCE FASCRAQAEK DGVTLESDNK VIRDGNKVRV YMTSVAPQYG MTDFKVKEGD DATA SEQUENCE EVTVYITNLD MVEDVTHGFC MVNHGVSMEI SPQQTASVTF TAGKPGVYWY DATA SEQUENCE YCNWFCHALH MEMVGRMLVE AA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.292 177.584 -0.486 0.000 1.274 10 A CA 0.000 51.897 52.037 -0.234 0.000 0.836 10 A CB 0.000 18.794 19.000 -0.343 0.000 0.831 11 H N -0.120 118.983 119.070 0.055 0.000 2.538 11 H HA 0.634 5.190 4.556 -0.000 0.000 0.353 11 H C -1.277 174.049 175.328 -0.003 0.000 1.109 11 H CA -0.659 55.394 56.048 0.008 0.000 1.192 11 H CB 1.900 31.676 29.762 0.023 0.000 1.555 11 H HN 0.038 nan 8.280 nan 0.000 0.518 12 V N 2.106 122.066 119.914 0.075 0.000 2.376 12 V HA 0.455 4.575 4.120 -0.000 0.000 0.287 12 V C 0.511 176.615 176.094 0.015 0.000 1.015 12 V CA -0.827 61.486 62.300 0.021 0.000 0.834 12 V CB 1.023 32.825 31.823 -0.035 0.000 1.001 12 V HN 0.951 nan 8.190 nan 0.000 0.428 13 A N 6.871 129.703 122.820 0.019 0.000 2.304 13 A HA 0.797 5.117 4.320 -0.000 0.000 0.271 13 A C -2.476 175.102 177.584 -0.011 0.000 1.091 13 A CA -1.604 50.436 52.037 0.005 0.000 0.812 13 A CB 0.068 19.073 19.000 0.009 0.000 1.056 13 A HN 0.653 nan 8.150 nan 0.000 0.489 14 P HA 0.236 nan 4.420 nan 0.000 0.261 14 P C 0.996 178.285 177.300 -0.019 0.000 1.183 14 P CA 2.049 65.136 63.100 -0.022 0.000 0.761 14 P CB 0.523 32.210 31.700 -0.022 0.000 0.785 15 G N 2.134 110.919 108.800 -0.024 0.000 2.279 15 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.223 15 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.223 15 G C 0.101 174.989 174.900 -0.020 0.000 1.015 15 G CA -0.322 44.765 45.100 -0.020 0.000 0.621 15 G HN 0.544 nan 8.290 nan 0.000 0.506 16 E N 0.153 120.341 120.200 -0.020 0.000 2.314 16 E HA 0.715 5.065 4.350 -0.000 0.000 0.262 16 E C 0.016 176.595 176.600 -0.035 0.000 1.093 16 E CA -0.506 55.883 56.400 -0.019 0.000 0.908 16 E CB 1.309 31.006 29.700 -0.007 0.000 1.091 16 E HN 0.322 nan 8.360 nan 0.000 0.425 17 L N 1.070 122.270 121.223 -0.039 0.000 2.333 17 L HA 0.355 4.695 4.340 -0.000 0.000 0.269 17 L C -0.311 176.517 176.870 -0.071 0.000 1.010 17 L CA -0.975 53.825 54.840 -0.066 0.000 0.818 17 L CB 1.726 43.745 42.059 -0.067 0.000 1.306 17 L HN 0.465 nan 8.230 nan 0.000 0.430 18 D N -0.016 120.316 120.400 -0.114 0.000 2.363 18 D HA 0.032 4.672 4.640 -0.000 0.000 0.240 18 D C 0.566 176.821 176.300 -0.076 0.000 1.236 18 D CA 0.139 54.077 54.000 -0.102 0.000 0.927 18 D CB 1.070 41.767 40.800 -0.171 0.000 1.150 18 D HN 0.530 nan 8.370 nan 0.000 0.458 19 E N -0.937 119.265 120.200 0.004 0.000 2.290 19 E HA 0.046 4.395 4.350 -0.000 0.000 0.197 19 E C -0.421 176.105 176.600 -0.124 0.000 0.948 19 E CA 0.247 56.620 56.400 -0.046 0.000 0.895 19 E CB 0.457 30.168 29.700 0.018 0.000 0.865 19 E HN 0.389 nan 8.360 nan 0.000 0.486 20 Y N -1.078 119.233 120.300 0.018 0.000 2.536 20 Y HA 0.364 4.914 4.550 -0.000 0.000 0.347 20 Y C -0.705 175.174 175.900 -0.034 0.000 1.000 20 Y CA -1.220 56.932 58.100 0.086 0.000 1.051 20 Y CB 0.879 39.433 38.460 0.158 0.000 1.259 20 Y HN -0.141 nan 8.280 nan 0.000 0.468 21 Y N 0.390 120.763 120.300 0.122 0.000 2.310 21 Y HA 0.585 5.135 4.550 -0.000 0.000 0.326 21 Y C 0.659 176.448 175.900 -0.185 0.000 1.151 21 Y CA -0.713 57.302 58.100 -0.142 0.000 1.195 21 Y CB 1.604 39.908 38.460 -0.260 0.000 1.210 21 Y HN 0.706 nan 8.280 nan 0.000 0.483 22 G N 2.973 111.677 108.800 -0.159 0.000 2.502 22 G HA2 0.511 4.471 3.960 -0.000 0.000 0.311 22 G HA3 0.511 4.471 3.960 -0.000 0.000 0.311 22 G C -1.679 173.189 174.900 -0.054 0.000 1.270 22 G CA -0.449 44.711 45.100 0.099 0.000 0.948 22 G HN 0.381 nan 8.290 nan 0.000 0.487 23 F N 2.353 122.476 119.950 0.288 0.000 2.303 23 F HA 0.363 4.890 4.527 -0.000 0.000 0.368 23 F C 0.394 176.290 175.800 0.160 0.000 1.105 23 F CA -1.129 56.974 58.000 0.171 0.000 1.153 23 F CB 0.858 39.860 39.000 0.003 0.000 1.362 23 F HN 0.346 nan 8.300 nan 0.000 0.511 24 W N 2.978 124.286 121.300 0.012 0.000 2.315 24 W HA 0.299 4.959 4.660 -0.000 0.000 0.316 24 W C 0.325 176.840 176.519 -0.007 0.000 1.211 24 W CA -0.791 56.538 57.345 -0.027 0.000 1.201 24 W CB 1.978 31.415 29.460 -0.039 0.000 1.184 24 W HN 0.388 nan 8.180 nan 0.000 0.544 25 S N 1.306 117.037 115.700 0.052 0.000 2.592 25 S HA 0.325 4.795 4.470 -0.000 0.000 0.271 25 S C 0.766 175.446 174.600 0.135 0.000 1.326 25 S CA -0.216 58.017 58.200 0.055 0.000 1.024 25 S CB 1.726 64.906 63.200 -0.033 0.000 0.921 25 S HN 0.619 nan 8.310 nan 0.000 0.527 26 G N 0.018 108.900 108.800 0.137 0.000 3.088 26 G HA2 0.510 4.470 3.960 -0.000 0.000 0.217 26 G HA3 0.510 4.470 3.960 -0.000 0.000 0.217 26 G C 0.935 175.909 174.900 0.124 0.000 1.159 26 G CA 0.070 45.251 45.100 0.135 0.000 0.760 26 G HN 1.518 nan 8.290 nan 0.000 0.550 27 G N 1.200 110.110 108.800 0.183 0.000 2.566 27 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.280 27 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.280 27 G C 0.893 175.952 174.900 0.266 0.000 1.225 27 G CA 0.413 45.668 45.100 0.258 0.000 0.966 27 G HN 0.905 nan 8.290 nan 0.000 0.560 28 H N 1.114 120.262 119.070 0.131 0.000 2.562 28 H HA 0.150 4.706 4.556 -0.000 0.000 0.272 28 H C 1.960 177.367 175.328 0.132 0.000 1.019 28 H CA 1.389 57.514 56.048 0.129 0.000 1.160 28 H CB -0.121 29.706 29.762 0.107 0.000 1.334 28 H HN 0.531 nan 8.280 nan 0.000 0.611 29 Q N 1.375 121.158 119.800 -0.028 0.000 2.269 29 Q HA -0.005 4.335 4.340 -0.000 0.000 0.201 29 Q C 1.305 177.391 176.000 0.145 0.000 0.946 29 Q CA 1.288 57.117 55.803 0.042 0.000 0.877 29 Q CB -0.040 28.741 28.738 0.073 0.000 0.963 29 Q HN 0.736 nan 8.270 nan 0.000 0.472 30 G N 1.112 110.021 108.800 0.183 0.000 2.241 30 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.244 30 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.244 30 G C 0.175 175.185 174.900 0.183 0.000 0.998 30 G CA 0.521 45.774 45.100 0.255 0.000 0.621 30 G HN 0.561 nan 8.290 nan 0.000 0.519 31 E N 0.014 120.278 120.200 0.107 0.000 2.302 31 E HA 0.700 5.050 4.350 -0.000 0.000 0.255 31 E C -0.776 175.843 176.600 0.031 0.000 1.099 31 E CA -0.791 55.621 56.400 0.020 0.000 0.929 31 E CB 2.044 31.754 29.700 0.017 0.000 1.203 31 E HN 0.297 nan 8.360 nan 0.000 0.459 32 V N 0.772 120.680 119.914 -0.010 0.000 2.555 32 V HA 0.411 4.531 4.120 -0.000 0.000 0.302 32 V C -0.393 175.751 176.094 0.084 0.000 1.038 32 V CA -0.713 61.615 62.300 0.047 0.000 0.887 32 V CB 1.560 33.386 31.823 0.005 0.000 0.991 32 V HN 0.582 nan 8.190 nan 0.000 0.434 33 R N 2.941 123.530 120.500 0.149 0.000 2.445 33 R HA 0.688 5.028 4.340 -0.000 0.000 0.308 33 R C -1.287 175.080 176.300 0.112 0.000 0.961 33 R CA -0.623 55.539 56.100 0.103 0.000 0.862 33 R CB 2.085 32.424 30.300 0.065 0.000 1.144 33 R HN 0.516 nan 8.270 nan 0.000 0.447 34 V N 5.397 125.329 119.914 0.030 0.000 2.350 34 V HA 0.371 4.490 4.120 -0.000 0.000 0.276 34 V C 0.032 176.021 176.094 -0.176 0.000 1.028 34 V CA -0.575 61.680 62.300 -0.075 0.000 0.860 34 V CB 0.677 32.502 31.823 0.003 0.000 0.990 34 V HN 0.547 nan 8.190 nan 0.000 0.453 35 L N 3.646 124.706 121.223 -0.272 0.000 2.319 35 L HA 0.850 5.190 4.340 -0.000 0.000 0.267 35 L C 0.684 177.359 176.870 -0.325 0.000 1.011 35 L CA -0.706 53.916 54.840 -0.363 0.000 0.818 35 L CB 1.905 43.573 42.059 -0.651 0.000 1.316 35 L HN 0.684 nan 8.230 nan 0.000 0.432 36 G N 0.480 109.088 108.800 -0.320 0.000 2.367 36 G HA2 0.577 4.537 3.960 -0.000 0.000 0.314 36 G HA3 0.577 4.537 3.960 -0.000 0.000 0.314 36 G C -0.905 173.834 174.900 -0.268 0.000 1.130 36 G CA -0.299 44.623 45.100 -0.296 0.000 0.864 36 G HN 0.257 nan 8.290 nan 0.000 0.486 37 V N 3.321 123.124 119.914 -0.185 0.000 2.628 37 V HA 0.431 4.551 4.120 -0.000 0.000 0.306 37 V C -1.476 174.534 176.094 -0.140 0.000 1.045 37 V CA -1.491 60.675 62.300 -0.224 0.000 0.905 37 V CB 2.812 34.526 31.823 -0.181 0.000 0.997 37 V HN 0.711 nan 8.190 nan 0.000 0.436 38 P HA 0.000 nan 4.420 nan 0.000 0.255 38 P C 1.283 178.319 177.300 -0.440 0.000 1.248 38 P CA 0.601 63.380 63.100 -0.535 0.000 0.807 38 P CB 0.411 31.714 31.700 -0.661 0.000 1.150 39 S N -0.186 115.325 115.700 -0.316 0.000 2.399 39 S HA -0.123 4.347 4.470 -0.000 0.000 0.231 39 S C 1.391 175.732 174.600 -0.432 0.000 1.022 39 S CA 0.785 58.801 58.200 -0.306 0.000 0.983 39 S CB -1.046 62.028 63.200 -0.210 0.000 0.803 39 S HN -0.038 nan 8.310 nan 0.000 0.480 40 M N -0.354 118.986 119.600 -0.435 0.000 2.872 40 M HA -0.135 4.345 4.480 -0.000 0.000 0.200 40 M C -0.156 175.912 176.300 -0.386 0.000 0.582 40 M CA 0.801 55.822 55.300 -0.466 0.000 0.706 40 M CB -2.450 29.820 32.600 -0.551 0.000 2.560 40 M HN 0.541 nan 8.290 nan 0.000 0.476 41 R N 0.668 120.976 120.500 -0.319 0.000 2.500 41 R HA 0.466 4.806 4.340 -0.000 0.000 0.275 41 R C 0.647 176.784 176.300 -0.271 0.000 1.051 41 R CA -0.569 55.380 56.100 -0.251 0.000 1.088 41 R CB 1.107 31.293 30.300 -0.191 0.000 1.063 41 R HN 0.230 nan 8.270 nan 0.000 0.511 42 E N 2.765 122.830 120.200 -0.224 0.000 2.089 42 E HA 0.054 4.404 4.350 -0.000 0.000 0.284 42 E C 0.368 176.880 176.600 -0.146 0.000 1.023 42 E CA -0.156 56.120 56.400 -0.206 0.000 0.819 42 E CB 0.596 30.191 29.700 -0.175 0.000 1.076 42 E HN 0.523 nan 8.360 nan 0.000 0.396 43 L N 3.870 125.008 121.223 -0.141 0.000 2.249 43 L HA 0.192 4.532 4.340 -0.000 0.000 0.207 43 L C 0.669 177.515 176.870 -0.039 0.000 1.090 43 L CA 0.373 55.157 54.840 -0.093 0.000 0.802 43 L CB 0.029 42.023 42.059 -0.108 0.000 0.947 43 L HN 0.556 nan 8.230 nan 0.000 0.453 44 M N -0.974 118.608 119.600 -0.029 0.000 2.562 44 M HA 0.385 4.865 4.480 -0.000 0.000 0.281 44 M C -1.788 174.521 176.300 0.014 0.000 1.195 44 M CA -0.466 54.842 55.300 0.013 0.000 0.888 44 M CB 2.006 34.634 32.600 0.047 0.000 1.731 44 M HN -0.161 nan 8.290 nan 0.000 0.493 45 R N 3.148 123.663 120.500 0.025 0.000 2.437 45 R HA 0.732 5.072 4.340 -0.000 0.000 0.310 45 R C -1.152 175.148 176.300 0.000 0.000 0.955 45 R CA -0.581 55.528 56.100 0.016 0.000 0.851 45 R CB 1.354 31.663 30.300 0.015 0.000 1.161 45 R HN 0.697 nan 8.270 nan 0.000 0.446 46 I N 5.440 125.988 120.570 -0.036 0.000 2.307 46 I HA 0.240 4.409 4.170 -0.000 0.000 0.287 46 I C -1.948 174.022 176.117 -0.245 0.000 1.054 46 I CA -2.301 58.919 61.300 -0.134 0.000 1.218 46 I CB 1.389 39.302 38.000 -0.144 0.000 1.398 46 I HN 0.255 nan 8.210 nan 0.000 0.475 47 P HA 0.071 nan 4.420 nan 0.000 0.271 47 P C 0.149 176.923 177.300 -0.876 0.000 1.216 47 P CA 0.114 62.956 63.100 -0.431 0.000 0.771 47 P CB 2.187 33.724 31.700 -0.271 0.000 0.864 48 V N 2.124 121.692 119.914 -0.577 0.000 3.449 48 V HA 0.126 4.246 4.120 -0.000 0.000 0.208 48 V C 1.332 177.195 176.094 -0.384 0.000 1.269 48 V CA 0.876 62.751 62.300 -0.708 0.000 1.301 48 V CB -0.755 30.565 31.823 -0.839 0.000 1.306 48 V HN 0.268 nan 8.190 nan 0.000 0.531 49 F N 1.875 121.897 119.950 0.120 0.000 2.704 49 F HA 0.330 4.857 4.527 -0.000 0.000 0.304 49 F C 1.038 176.969 175.800 0.219 0.000 1.094 49 F CA -0.839 57.276 58.000 0.191 0.000 1.275 49 F CB -0.593 38.473 39.000 0.111 0.000 1.073 49 F HN 0.355 nan 8.300 nan 0.000 0.586 50 N N -0.648 118.246 118.700 0.323 0.000 2.448 50 N HA 0.499 5.239 4.740 -0.000 0.000 0.274 50 N C -1.094 174.613 175.510 0.329 0.000 1.239 50 N CA -0.713 52.504 53.050 0.279 0.000 0.982 50 N CB 1.160 39.766 38.487 0.199 0.000 1.199 50 N HN -0.207 nan 8.380 nan 0.000 0.576 51 V N 0.496 120.568 119.914 0.262 0.000 2.326 51 V HA 0.156 4.276 4.120 -0.000 0.000 0.281 51 V C -0.871 175.351 176.094 0.215 0.000 1.015 51 V CA -0.603 61.852 62.300 0.259 0.000 0.823 51 V CB 0.595 32.529 31.823 0.186 0.000 1.009 51 V HN 0.756 nan 8.190 nan 0.000 0.436 52 D N 3.145 123.700 120.400 0.259 0.000 2.336 52 D HA 0.107 4.747 4.640 -0.000 0.000 0.249 52 D C 1.322 177.729 176.300 0.178 0.000 1.213 52 D CA 0.413 54.535 54.000 0.204 0.000 0.870 52 D CB 1.718 42.658 40.800 0.234 0.000 1.076 52 D HN 0.444 nan 8.370 nan 0.000 0.483 53 S N 2.759 118.532 115.700 0.121 0.000 2.469 53 S HA -0.112 4.358 4.470 -0.000 0.000 0.238 53 S C 1.563 176.217 174.600 0.091 0.000 0.998 53 S CA 1.252 59.508 58.200 0.092 0.000 0.957 53 S CB -0.045 63.189 63.200 0.056 0.000 0.764 53 S HN 0.558 nan 8.310 nan 0.000 0.514 54 A N 1.024 123.905 122.820 0.103 0.000 1.864 54 A HA 0.075 4.395 4.320 -0.000 0.000 0.213 54 A C 2.400 180.179 177.584 0.326 0.000 1.266 54 A CA 1.504 53.590 52.037 0.082 0.000 0.612 54 A CB -1.479 17.511 19.000 -0.017 0.000 0.940 54 A HN 0.670 nan 8.150 nan 0.000 0.463 55 T N -3.554 111.253 114.554 0.421 0.000 3.035 55 T HA 0.323 4.673 4.350 -0.000 0.000 0.268 55 T C 1.422 176.341 174.700 0.364 0.000 1.109 55 T CA 1.384 63.783 62.100 0.499 0.000 1.119 55 T CB -0.222 68.906 68.868 0.432 0.000 0.900 55 T HN 1.909 nan 8.240 nan 0.000 0.503 56 G N 0.372 109.352 108.800 0.301 0.000 2.141 56 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.242 56 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.242 56 G C -0.109 174.921 174.900 0.217 0.000 0.982 56 G CA -0.086 45.146 45.100 0.220 0.000 0.662 56 G HN 0.700 nan 8.290 nan 0.000 0.527 57 W N 0.887 122.266 121.300 0.132 0.000 2.397 57 W HA 0.379 5.039 4.660 -0.000 0.000 0.327 57 W C 1.088 177.668 176.519 0.101 0.000 1.421 57 W CA 1.270 58.686 57.345 0.119 0.000 1.288 57 W CB 0.024 29.551 29.460 0.112 0.000 1.312 57 W HN 1.278 nan 8.180 nan 0.000 0.559 58 G N 4.243 112.803 108.800 -0.401 0.000 2.232 58 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.226 58 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.226 58 G C 0.626 175.467 174.900 -0.098 0.000 0.996 58 G CA 0.372 45.349 45.100 -0.205 0.000 0.626 58 G HN 0.564 nan 8.290 nan 0.000 0.509 59 I N 1.533 122.068 120.570 -0.060 0.000 3.445 59 I HA 0.148 4.318 4.170 -0.000 0.000 0.288 59 I C 1.881 177.965 176.117 -0.054 0.000 1.198 59 I CA 1.033 62.322 61.300 -0.018 0.000 1.417 59 I CB -0.057 37.968 38.000 0.042 0.000 1.205 59 I HN 0.355 nan 8.210 nan 0.000 0.448 60 T N -1.497 113.007 114.554 -0.083 0.000 2.813 60 T HA 0.103 4.453 4.350 -0.000 0.000 0.297 60 T C 0.639 175.237 174.700 -0.170 0.000 1.036 60 T CA -0.167 61.862 62.100 -0.118 0.000 1.044 60 T CB 0.876 69.678 68.868 -0.109 0.000 0.993 60 T HN 0.136 nan 8.240 nan 0.000 0.535 61 N N 0.425 119.014 118.700 -0.184 0.000 2.270 61 N HA -0.042 4.698 4.740 -0.000 0.000 0.181 61 N C 1.729 177.149 175.510 -0.151 0.000 1.016 61 N CA 0.825 53.773 53.050 -0.170 0.000 0.870 61 N CB -0.075 38.296 38.487 -0.193 0.000 0.979 61 N HN 0.683 nan 8.380 nan 0.000 0.431 62 E N 0.291 120.396 120.200 -0.159 0.000 2.051 62 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 62 E C 2.166 178.695 176.600 -0.118 0.000 0.991 62 E CA 1.449 57.788 56.400 -0.102 0.000 0.799 62 E CB -0.290 29.307 29.700 -0.172 0.000 0.748 62 E HN 0.392 nan 8.360 nan 0.000 0.449 63 S N 0.823 116.344 115.700 -0.297 0.000 2.355 63 S HA -0.152 4.318 4.470 -0.000 0.000 0.222 63 S C 1.843 176.112 174.600 -0.552 0.000 1.031 63 S CA 0.985 58.709 58.200 -0.793 0.000 0.993 63 S CB -0.271 62.060 63.200 -1.448 0.000 0.859 63 S HN 0.075 nan 8.310 nan 0.000 0.453 64 K N 1.112 121.300 120.400 -0.353 0.000 2.152 64 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 64 K C 2.375 178.909 176.600 -0.110 0.000 1.048 64 K CA 1.544 57.711 56.287 -0.199 0.000 0.933 64 K CB -0.184 32.233 32.500 -0.139 0.000 0.721 64 K HN 0.657 nan 8.250 nan 0.000 0.447 65 E N 0.912 121.052 120.200 -0.099 0.000 2.152 65 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 65 E C 1.839 178.439 176.600 -0.001 0.000 0.983 65 E CA 0.722 57.100 56.400 -0.036 0.000 0.818 65 E CB 0.105 29.791 29.700 -0.023 0.000 0.758 65 E HN 0.270 nan 8.360 nan 0.000 0.467 66 I N 0.544 121.104 120.570 -0.016 0.000 2.333 66 I HA -0.216 3.954 4.170 -0.000 0.000 0.246 66 I C 2.332 178.500 176.117 0.085 0.000 1.106 66 I CA 0.512 61.845 61.300 0.055 0.000 1.411 66 I CB -0.135 37.938 38.000 0.123 0.000 1.082 66 I HN 0.150 nan 8.210 nan 0.000 0.420 67 L N 0.693 121.940 121.223 0.040 0.000 2.079 67 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 67 L C 1.725 178.717 176.870 0.204 0.000 1.081 67 L CA 1.226 56.145 54.840 0.130 0.000 0.752 67 L CB -1.147 40.953 42.059 0.067 0.000 0.896 67 L HN 0.523 nan 8.230 nan 0.000 0.433 68 G N -0.764 108.116 108.800 0.133 0.000 2.581 68 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.291 68 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.291 68 G C 0.476 175.493 174.900 0.195 0.000 1.277 68 G CA -0.052 45.139 45.100 0.150 0.000 0.959 68 G HN 1.150 nan 8.290 nan 0.000 0.554 69 G N -1.897 106.984 108.800 0.134 0.000 2.787 69 G HA2 0.320 4.280 3.960 -0.000 0.000 0.685 69 G HA3 0.320 4.280 3.960 -0.000 0.000 0.685 69 G C -0.030 174.824 174.900 -0.076 0.000 1.437 69 G CA 0.692 45.746 45.100 -0.077 0.000 0.872 69 G HN 2.253 nan 8.290 nan 0.000 0.566 70 D N -0.609 119.719 120.400 -0.120 0.000 2.463 70 D HA 0.372 5.012 4.640 -0.000 0.000 0.224 70 D C 0.620 176.852 176.300 -0.113 0.000 1.174 70 D CA 0.467 54.412 54.000 -0.090 0.000 0.829 70 D CB 0.618 41.372 40.800 -0.076 0.000 0.993 70 D HN 0.766 nan 8.370 nan 0.000 0.497 71 Q N 0.042 119.738 119.800 -0.173 0.000 2.426 71 Q HA 0.143 4.483 4.340 -0.000 0.000 0.278 71 Q C -1.732 174.023 176.000 -0.409 0.000 1.007 71 Q CA -0.784 54.837 55.803 -0.303 0.000 0.850 71 Q CB 1.761 30.246 28.738 -0.421 0.000 1.427 71 Q HN 0.133 nan 8.270 nan 0.000 0.391 72 Q N 2.391 122.000 119.800 -0.319 0.000 2.267 72 Q HA 0.310 4.650 4.340 -0.000 0.000 0.255 72 Q C -1.722 174.124 176.000 -0.256 0.000 0.923 72 Q CA -0.260 55.424 55.803 -0.199 0.000 0.925 72 Q CB 0.686 29.380 28.738 -0.073 0.000 1.195 72 Q HN 0.539 nan 8.270 nan 0.000 0.417 73 Y N 3.953 124.320 120.300 0.112 0.000 2.328 73 Y HA 0.237 4.787 4.550 -0.000 0.000 0.336 73 Y C 0.317 176.300 175.900 0.138 0.000 0.960 73 Y CA -0.677 57.496 58.100 0.122 0.000 1.134 73 Y CB 1.310 39.855 38.460 0.141 0.000 1.166 73 Y HN 0.635 nan 8.280 nan 0.000 0.464 74 L N 3.024 124.411 121.223 0.273 0.000 2.591 74 L HA 0.146 4.486 4.340 -0.000 0.000 0.228 74 L C 0.114 177.123 176.870 0.232 0.000 1.133 74 L CA 0.224 55.195 54.840 0.218 0.000 0.880 74 L CB -0.431 41.724 42.059 0.160 0.000 1.033 74 L HN 0.687 nan 8.230 nan 0.000 0.450 75 N N -1.193 117.659 118.700 0.253 0.000 2.571 75 N HA 0.755 5.495 4.740 -0.000 0.000 0.273 75 N C -0.532 175.086 175.510 0.180 0.000 1.340 75 N CA -0.611 52.566 53.050 0.212 0.000 0.789 75 N CB 2.199 40.789 38.487 0.173 0.000 1.514 75 N HN -0.130 nan 8.380 nan 0.000 0.499 76 G N -0.783 108.115 108.800 0.165 0.000 2.608 76 G HA2 0.404 4.364 3.960 -0.000 0.000 0.291 76 G HA3 0.404 4.364 3.960 -0.000 0.000 0.291 76 G C -2.200 172.763 174.900 0.104 0.000 1.425 76 G CA -0.457 44.676 45.100 0.055 0.000 0.787 76 G HN 0.665 nan 8.290 nan 0.000 0.484 77 D N -0.469 119.938 120.400 0.013 0.000 2.381 77 D HA 0.394 5.034 4.640 -0.000 0.000 0.245 77 D C 0.025 176.432 176.300 0.178 0.000 1.297 77 D CA -0.394 53.705 54.000 0.165 0.000 0.931 77 D CB 0.172 41.073 40.800 0.168 0.000 1.334 77 D HN 0.638 nan 8.370 nan 0.000 0.535 78 C N 1.970 121.436 119.300 0.275 0.000 2.330 78 C HA 0.641 5.101 4.460 -0.000 0.000 0.344 78 C C 1.224 176.362 174.990 0.246 0.000 1.273 78 C CA -0.562 58.614 59.018 0.263 0.000 1.879 78 C CB 0.376 28.315 27.740 0.331 0.000 2.376 78 C HN 0.687 nan 8.230 nan 0.000 0.534 79 H N 0.053 118.961 119.070 -0.270 0.000 2.657 79 H HA 0.128 4.684 4.556 -0.000 0.000 0.262 79 H C -0.201 174.690 175.328 -0.728 0.000 0.965 79 H CA 0.172 55.833 56.048 -0.645 0.000 1.184 79 H CB 0.347 29.390 29.762 -1.199 0.000 1.443 79 H HN 0.756 nan 8.280 nan 0.000 0.462 80 H N 2.107 121.208 119.070 0.052 0.000 2.786 80 H HA 0.210 4.766 4.556 -0.000 0.000 0.284 80 H C -2.638 172.633 175.328 -0.095 0.000 1.104 80 H CA -2.128 53.893 56.048 -0.045 0.000 1.339 80 H CB 1.469 31.297 29.762 0.110 0.000 1.427 80 H HN 0.188 nan 8.280 nan 0.000 0.497 81 P HA 0.160 nan 4.420 nan 0.000 0.292 81 P C -0.669 176.287 177.300 -0.573 0.000 1.287 81 P CA -0.163 62.800 63.100 -0.228 0.000 0.800 81 P CB 1.615 33.215 31.700 -0.166 0.000 0.945 82 H N 2.082 121.160 119.070 0.012 0.000 2.806 82 H HA 0.402 4.958 4.556 -0.000 0.000 0.367 82 H C -0.506 174.814 175.328 -0.014 0.000 1.136 82 H CA -0.726 55.327 56.048 0.008 0.000 1.178 82 H CB 2.620 32.424 29.762 0.070 0.000 1.718 82 H HN 0.411 nan 8.280 nan 0.000 0.540 83 I N 2.483 123.040 120.570 -0.020 0.000 2.359 83 I HA 0.148 4.318 4.170 -0.000 0.000 0.294 83 I C 0.473 176.626 176.117 0.060 0.000 0.987 83 I CA -0.376 60.870 61.300 -0.090 0.000 1.225 83 I CB 0.755 38.564 38.000 -0.319 0.000 1.366 83 I HN 0.647 nan 8.210 nan 0.000 0.466 84 S N 7.399 123.192 115.700 0.155 0.000 2.559 84 S HA 0.256 4.725 4.470 -0.000 0.000 0.282 84 S C -0.324 174.371 174.600 0.158 0.000 1.336 84 S CA -0.276 58.047 58.200 0.206 0.000 1.037 84 S CB 0.665 64.031 63.200 0.277 0.000 0.853 84 S HN 0.654 nan 8.310 nan 0.000 0.523 85 M N 1.267 120.955 119.600 0.146 0.000 2.658 85 M HA 0.463 4.943 4.480 -0.000 0.000 0.295 85 M C -0.950 175.403 176.300 0.087 0.000 1.248 85 M CA -0.508 54.881 55.300 0.149 0.000 0.843 85 M CB 2.961 35.664 32.600 0.172 0.000 1.749 85 M HN 0.679 nan 8.290 nan 0.000 0.464 86 T N 0.643 115.245 114.554 0.079 0.000 2.906 86 T HA 0.258 4.608 4.350 -0.000 0.000 0.302 86 T C -0.765 173.965 174.700 0.050 0.000 1.002 86 T CA -0.293 61.836 62.100 0.049 0.000 0.988 86 T CB 0.698 69.588 68.868 0.036 0.000 0.972 86 T HN 0.890 nan 8.240 nan 0.000 0.447 87 D N 2.744 123.170 120.400 0.043 0.000 2.723 87 D HA -0.161 4.479 4.640 -0.000 0.000 0.236 87 D C 1.196 177.545 176.300 0.082 0.000 1.138 87 D CA 2.163 56.195 54.000 0.054 0.000 0.676 87 D CB -1.216 39.612 40.800 0.045 0.000 1.069 87 D HN 1.257 nan 8.370 nan 0.000 0.430 88 G N -0.338 108.501 108.800 0.065 0.000 2.143 88 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.248 88 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.248 88 G C 0.273 175.240 174.900 0.112 0.000 0.991 88 G CA 0.465 45.623 45.100 0.097 0.000 0.689 88 G HN 0.668 nan 8.290 nan 0.000 0.522 89 R N -0.968 119.579 120.500 0.079 0.000 2.744 89 R HA 0.483 4.823 4.340 -0.000 0.000 0.279 89 R C -0.673 175.712 176.300 0.142 0.000 0.977 89 R CA -1.085 55.028 56.100 0.022 0.000 0.906 89 R CB 1.173 31.481 30.300 0.013 0.000 1.197 89 R HN 0.089 nan 8.270 nan 0.000 0.463 90 Y N 1.770 122.129 120.300 0.098 0.000 2.620 90 Y HA -0.044 4.506 4.550 -0.000 0.000 0.330 90 Y C 1.247 177.176 175.900 0.049 0.000 1.186 90 Y CA -0.676 57.476 58.100 0.086 0.000 1.467 90 Y CB 0.045 38.575 38.460 0.116 0.000 1.262 90 Y HN 0.691 nan 8.280 nan 0.000 0.550 91 D N -0.952 119.557 120.400 0.182 0.000 2.398 91 D HA 0.171 4.811 4.640 -0.000 0.000 0.210 91 D C 1.555 177.861 176.300 0.010 0.000 1.094 91 D CA 0.276 54.319 54.000 0.073 0.000 0.839 91 D CB 0.123 40.944 40.800 0.035 0.000 0.963 91 D HN 0.691 nan 8.370 nan 0.000 0.506 92 G N 1.067 109.874 108.800 0.012 0.000 2.233 92 G HA2 -0.441 3.519 3.960 -0.000 0.000 0.270 92 G HA3 -0.441 3.519 3.960 -0.000 0.000 0.270 92 G C 0.920 175.713 174.900 -0.178 0.000 1.011 92 G CA 0.927 45.980 45.100 -0.079 0.000 0.762 92 G HN 0.508 nan 8.290 nan 0.000 0.511 93 K N -1.559 118.705 120.400 -0.227 0.000 2.099 93 K HA 0.230 4.550 4.320 -0.000 0.000 0.203 93 K C 0.252 176.503 176.600 -0.581 0.000 1.047 93 K CA 0.688 56.700 56.287 -0.458 0.000 0.963 93 K CB 0.202 32.350 32.500 -0.586 0.000 0.759 93 K HN 0.362 nan 8.250 nan 0.000 0.451 94 Y N -0.275 119.914 120.300 -0.186 0.000 2.570 94 Y HA 0.481 5.030 4.550 -0.000 0.000 0.345 94 Y C -0.776 174.881 175.900 -0.405 0.000 1.014 94 Y CA -1.113 56.772 58.100 -0.359 0.000 1.063 94 Y CB 1.586 39.764 38.460 -0.470 0.000 1.272 94 Y HN -0.129 nan 8.280 nan 0.000 0.477 95 L N 2.410 123.394 121.223 -0.399 0.000 2.409 95 L HA 0.660 5.000 4.340 -0.000 0.000 0.272 95 L C -1.996 174.580 176.870 -0.489 0.000 0.980 95 L CA -0.481 54.133 54.840 -0.377 0.000 0.826 95 L CB 1.045 42.813 42.059 -0.485 0.000 1.268 95 L HN 0.539 nan 8.230 nan 0.000 0.407 96 F N 5.357 125.257 119.950 -0.084 0.000 2.508 96 F HA 0.670 5.197 4.527 -0.000 0.000 0.325 96 F C -0.067 175.730 175.800 -0.006 0.000 1.090 96 F CA -0.548 57.417 58.000 -0.058 0.000 0.945 96 F CB 2.036 41.008 39.000 -0.048 0.000 1.156 96 F HN 0.281 nan 8.300 nan 0.000 0.463 97 I N 1.878 122.562 120.570 0.189 0.000 2.913 97 I HA 0.354 4.524 4.170 -0.000 0.000 0.302 97 I C -1.460 174.802 176.117 0.242 0.000 1.246 97 I CA -0.742 60.669 61.300 0.184 0.000 1.010 97 I CB 2.271 40.338 38.000 0.111 0.000 1.259 97 I HN 0.827 nan 8.210 nan 0.000 0.434 98 N N 2.456 121.276 118.700 0.200 0.000 2.458 98 N HA 0.470 5.210 4.740 -0.000 0.000 0.271 98 N C -1.554 173.972 175.510 0.027 0.000 1.210 98 N CA -0.562 52.553 53.050 0.108 0.000 0.978 98 N CB 1.256 39.768 38.487 0.042 0.000 1.206 98 N HN 0.426 nan 8.380 nan 0.000 0.536 99 D N -1.079 119.171 120.400 -0.251 0.000 2.542 99 D HA 0.172 4.812 4.640 -0.000 0.000 0.252 99 D C -0.278 175.799 176.300 -0.370 0.000 1.222 99 D CA -0.652 52.998 54.000 -0.584 0.000 0.895 99 D CB 1.426 41.387 40.800 -1.399 0.000 1.207 99 D HN 0.680 nan 8.370 nan 0.000 0.558 100 K N 2.656 122.885 120.400 -0.286 0.000 2.361 100 K HA 0.149 4.469 4.320 -0.000 0.000 0.196 100 K C 1.384 177.888 176.600 -0.160 0.000 1.039 100 K CA 0.685 56.825 56.287 -0.244 0.000 1.001 100 K CB 0.244 32.552 32.500 -0.319 0.000 0.795 100 K HN 0.399 nan 8.250 nan 0.000 0.495 101 A N 1.347 124.071 122.820 -0.160 0.000 1.874 101 A HA -0.022 4.298 4.320 -0.000 0.000 0.214 101 A C 1.200 178.674 177.584 -0.184 0.000 1.189 101 A CA 1.046 53.016 52.037 -0.111 0.000 0.615 101 A CB -0.076 18.877 19.000 -0.077 0.000 0.830 101 A HN 0.304 nan 8.150 nan 0.000 0.443 102 N N 0.071 118.571 118.700 -0.333 0.000 2.338 102 N HA 0.123 4.863 4.740 -0.000 0.000 0.251 102 N C -0.930 174.395 175.510 -0.309 0.000 1.199 102 N CA 0.647 53.433 53.050 -0.439 0.000 0.879 102 N CB 0.455 38.383 38.487 -0.931 0.000 1.159 102 N HN 0.267 nan 8.380 nan 0.000 0.514 103 T N 0.971 115.386 114.554 -0.231 0.000 3.177 103 T HA -0.220 4.130 4.350 -0.000 0.000 0.439 103 T C 0.117 174.717 174.700 -0.168 0.000 0.771 103 T CA 0.889 62.896 62.100 -0.156 0.000 2.254 103 T CB -1.055 67.781 68.868 -0.054 0.000 1.667 103 T HN 0.456 nan 8.240 nan 0.000 0.619 104 R N -0.434 119.916 120.500 -0.251 0.000 2.795 104 R HA 0.815 5.154 4.340 -0.000 0.000 0.268 104 R C -1.203 175.042 176.300 -0.091 0.000 1.041 104 R CA -1.126 54.850 56.100 -0.206 0.000 0.927 104 R CB 1.969 32.106 30.300 -0.271 0.000 1.235 104 R HN 0.174 nan 8.270 nan 0.000 0.463 105 V N 0.737 120.677 119.914 0.044 0.000 2.733 105 V HA 0.700 4.820 4.120 -0.000 0.000 0.306 105 V C -0.842 175.377 176.094 0.208 0.000 1.084 105 V CA -0.745 61.636 62.300 0.136 0.000 0.905 105 V CB 1.788 33.635 31.823 0.040 0.000 1.010 105 V HN 0.941 nan 8.190 nan 0.000 0.424 106 A N 4.721 127.692 122.820 0.251 0.000 2.322 106 A HA 0.977 5.297 4.320 -0.000 0.000 0.327 106 A C -0.484 177.072 177.584 -0.046 0.000 1.134 106 A CA -0.794 51.271 52.037 0.046 0.000 0.831 106 A CB 1.764 20.629 19.000 -0.225 0.000 1.288 106 A HN 0.758 nan 8.150 nan 0.000 0.472 107 R N 1.129 121.506 120.500 -0.204 0.000 2.621 107 R HA 0.671 5.011 4.340 -0.000 0.000 0.292 107 R C -1.960 174.081 176.300 -0.433 0.000 0.969 107 R CA -0.453 55.354 56.100 -0.489 0.000 0.887 107 R CB 1.127 31.081 30.300 -0.577 0.000 1.180 107 R HN 0.706 nan 8.270 nan 0.000 0.450 108 I N 3.613 123.894 120.570 -0.481 0.000 2.433 108 I HA 0.406 4.576 4.170 -0.000 0.000 0.292 108 I C 0.292 176.264 176.117 -0.242 0.000 1.001 108 I CA -0.948 60.143 61.300 -0.349 0.000 1.119 108 I CB 2.049 39.838 38.000 -0.351 0.000 1.289 108 I HN 0.396 nan 8.210 nan 0.000 0.438 109 R N 5.889 126.287 120.500 -0.171 0.000 2.242 109 R HA 0.294 4.634 4.340 -0.000 0.000 0.334 109 R C 0.754 176.955 176.300 -0.165 0.000 1.071 109 R CA -0.237 55.805 56.100 -0.096 0.000 0.922 109 R CB 0.691 30.944 30.300 -0.078 0.000 1.023 109 R HN 0.681 nan 8.270 nan 0.000 0.458 110 L N 2.580 123.680 121.223 -0.206 0.000 2.376 110 L HA -0.168 4.172 4.340 -0.000 0.000 0.219 110 L C 1.868 178.642 176.870 -0.160 0.000 1.133 110 L CA 0.726 55.435 54.840 -0.218 0.000 0.816 110 L CB -0.313 41.577 42.059 -0.283 0.000 0.933 110 L HN 0.649 nan 8.230 nan 0.000 0.449 111 D N 1.410 121.719 120.400 -0.151 0.000 2.144 111 D HA -0.208 4.432 4.640 -0.000 0.000 0.200 111 D C 1.685 177.920 176.300 -0.109 0.000 0.978 111 D CA 1.431 55.357 54.000 -0.123 0.000 0.833 111 D CB -0.126 40.605 40.800 -0.115 0.000 0.961 111 D HN 0.601 nan 8.370 nan 0.000 0.470 112 I N -4.659 115.849 120.570 -0.104 0.000 4.154 112 I HA 0.247 4.417 4.170 -0.000 0.000 0.334 112 I C -0.092 175.985 176.117 -0.067 0.000 1.371 112 I CA -0.525 60.716 61.300 -0.098 0.000 1.110 112 I CB 0.258 38.218 38.000 -0.067 0.000 1.085 112 I HN -0.335 nan 8.210 nan 0.000 0.398 113 M N 1.856 121.406 119.600 -0.083 0.000 2.350 113 M HA -0.129 4.351 4.480 -0.000 0.000 0.190 113 M C -0.980 175.249 176.300 -0.119 0.000 0.710 113 M CA 1.290 56.545 55.300 -0.074 0.000 0.495 113 M CB -1.877 30.728 32.600 0.010 0.000 1.136 113 M HN 0.454 nan 8.290 nan 0.000 0.901 114 K N -0.269 120.013 120.400 -0.196 0.000 2.498 114 K HA 0.528 4.848 4.320 -0.000 0.000 0.254 114 K C -0.123 176.249 176.600 -0.379 0.000 0.933 114 K CA -0.513 55.594 56.287 -0.300 0.000 0.806 114 K CB 1.657 33.958 32.500 -0.333 0.000 1.301 114 K HN 0.186 nan 8.250 nan 0.000 0.432 115 T N 1.710 115.925 114.554 -0.566 0.000 2.853 115 T HA -0.008 4.342 4.350 -0.000 0.000 0.298 115 T C 0.860 175.451 174.700 -0.182 0.000 0.978 115 T CA 0.479 62.297 62.100 -0.469 0.000 1.152 115 T CB 0.461 68.897 68.868 -0.720 0.000 0.914 115 T HN 0.535 nan 8.240 nan 0.000 0.539 116 D N 1.767 122.079 120.400 -0.146 0.000 2.431 116 D HA 0.105 4.745 4.640 -0.000 0.000 0.227 116 D C 0.104 176.393 176.300 -0.018 0.000 1.030 116 D CA 0.503 54.459 54.000 -0.074 0.000 0.897 116 D CB 0.437 41.168 40.800 -0.114 0.000 1.058 116 D HN 0.156 nan 8.370 nan 0.000 0.500 117 K N 0.309 120.675 120.400 -0.055 0.000 2.523 117 K HA 0.452 4.772 4.320 -0.000 0.000 0.257 117 K C -1.206 175.399 176.600 0.008 0.000 0.932 117 K CA -0.549 55.726 56.287 -0.020 0.000 0.812 117 K CB 2.452 34.907 32.500 -0.075 0.000 1.326 117 K HN 0.016 nan 8.250 nan 0.000 0.433 118 I N 1.702 122.306 120.570 0.057 0.000 2.512 118 I HA 0.237 4.407 4.170 -0.000 0.000 0.287 118 I C -0.722 175.423 176.117 0.047 0.000 1.069 118 I CA -0.481 60.865 61.300 0.076 0.000 1.056 118 I CB 2.440 40.522 38.000 0.136 0.000 1.229 118 I HN 0.362 nan 8.210 nan 0.000 0.429 119 T N 3.828 118.391 114.554 0.014 0.000 2.807 119 T HA 0.417 4.767 4.350 -0.000 0.000 0.279 119 T C -0.432 174.234 174.700 -0.056 0.000 0.993 119 T CA -0.591 61.519 62.100 0.015 0.000 0.970 119 T CB 0.883 69.755 68.868 0.006 0.000 0.950 119 T HN 0.339 nan 8.240 nan 0.000 0.441 120 H N 2.859 121.956 119.070 0.045 0.000 2.580 120 H HA 0.248 4.804 4.556 -0.000 0.000 0.322 120 H C 0.039 175.366 175.328 -0.002 0.000 1.082 120 H CA -0.547 55.520 56.048 0.031 0.000 1.383 120 H CB 0.925 30.721 29.762 0.057 0.000 1.450 120 H HN 0.326 nan 8.280 nan 0.000 0.505 121 I N 6.127 126.733 120.570 0.060 0.000 2.371 121 I HA 0.130 4.300 4.170 -0.000 0.000 0.290 121 I C -1.878 174.261 176.117 0.036 0.000 1.028 121 I CA -2.526 58.780 61.300 0.010 0.000 1.345 121 I CB 0.659 38.634 38.000 -0.042 0.000 1.407 121 I HN 0.340 nan 8.210 nan 0.000 0.501 122 P HA 0.214 nan 4.420 nan 0.000 0.281 122 P C -0.255 177.068 177.300 0.038 0.000 1.249 122 P CA -0.271 62.851 63.100 0.037 0.000 0.810 122 P CB 0.712 32.429 31.700 0.028 0.000 1.008 123 N N -1.780 116.951 118.700 0.052 0.000 2.696 123 N HA -0.128 4.612 4.740 -0.000 0.000 0.249 123 N C -0.296 175.258 175.510 0.073 0.000 1.090 123 N CA 0.702 53.791 53.050 0.065 0.000 0.716 123 N CB -1.446 37.079 38.487 0.063 0.000 1.020 123 N HN 0.302 nan 8.380 nan 0.000 0.548 124 V N -0.430 119.523 119.914 0.064 0.000 3.188 124 V HA 0.423 4.543 4.120 -0.000 0.000 0.305 124 V C -1.046 175.083 176.094 0.058 0.000 1.232 124 V CA -0.648 61.691 62.300 0.065 0.000 1.043 124 V CB 2.767 34.614 31.823 0.040 0.000 1.068 124 V HN 0.119 nan 8.190 nan 0.000 0.439 125 Q N 1.619 121.455 119.800 0.060 0.000 2.359 125 Q HA 0.725 5.065 4.340 -0.000 0.000 0.274 125 Q C -0.536 175.440 176.000 -0.042 0.000 1.074 125 Q CA -0.175 55.663 55.803 0.057 0.000 0.810 125 Q CB 2.118 30.950 28.738 0.157 0.000 1.342 125 Q HN 1.592 nan 8.270 nan 0.000 0.427 126 A N 2.520 125.292 122.820 -0.081 0.000 1.888 126 A HA -0.145 4.175 4.320 -0.000 0.000 0.243 126 A C -0.448 176.991 177.584 -0.242 0.000 1.351 126 A CA -0.062 51.834 52.037 -0.234 0.000 0.702 126 A CB -1.279 17.365 19.000 -0.593 0.000 1.185 126 A HN 0.490 nan 8.150 nan 0.000 0.265 127 I N 4.020 124.488 120.570 -0.170 0.000 2.436 127 I HA 0.153 4.323 4.170 -0.000 0.000 0.289 127 I C 1.437 177.500 176.117 -0.090 0.000 1.083 127 I CA 0.781 62.012 61.300 -0.115 0.000 1.372 127 I CB 0.063 37.999 38.000 -0.106 0.000 1.408 127 I HN 0.845 nan 8.210 nan 0.000 0.516 128 H N 5.291 124.263 119.070 -0.164 0.000 2.570 128 H HA 0.225 4.781 4.556 -0.000 0.000 0.268 128 H C 0.930 176.319 175.328 0.102 0.000 1.175 128 H CA 0.155 56.122 56.048 -0.135 0.000 1.686 128 H CB 0.970 30.663 29.762 -0.115 0.000 1.456 128 H HN 0.588 nan 8.280 nan 0.000 0.592 129 G N 1.464 110.210 108.800 -0.089 0.000 2.380 129 G HA2 0.345 4.305 3.960 -0.000 0.000 0.242 129 G HA3 0.345 4.305 3.960 -0.000 0.000 0.242 129 G C -0.971 173.896 174.900 -0.055 0.000 1.298 129 G CA -0.046 44.923 45.100 -0.219 0.000 0.878 129 G HN 0.393 nan 8.290 nan 0.000 0.542 130 L N 2.040 123.212 121.223 -0.086 0.000 2.565 130 L HA 0.723 5.063 4.340 -0.000 0.000 0.261 130 L C -0.591 176.223 176.870 -0.093 0.000 0.932 130 L CA -0.846 53.996 54.840 0.004 0.000 0.878 130 L CB 1.584 43.709 42.059 0.109 0.000 1.333 130 L HN 0.685 nan 8.230 nan 0.000 0.409 131 R N 3.795 124.225 120.500 -0.118 0.000 2.716 131 R HA 0.640 4.980 4.340 -0.000 0.000 0.271 131 R C -1.688 174.570 176.300 -0.070 0.000 1.028 131 R CA -0.866 55.055 56.100 -0.297 0.000 0.883 131 R CB 2.242 32.366 30.300 -0.294 0.000 1.250 131 R HN 0.529 nan 8.270 nan 0.000 0.465 132 L N 0.853 122.028 121.223 -0.081 0.000 2.358 132 L HA 0.465 4.805 4.340 -0.000 0.000 0.268 132 L C 0.352 177.279 176.870 0.096 0.000 1.032 132 L CA -0.833 53.976 54.840 -0.052 0.000 0.805 132 L CB 1.116 43.142 42.059 -0.055 0.000 1.253 132 L HN 0.485 nan 8.230 nan 0.000 0.452 133 Q N 0.751 120.577 119.800 0.044 0.000 2.314 133 Q HA 0.142 4.482 4.340 -0.000 0.000 0.258 133 Q C -0.088 175.944 176.000 0.054 0.000 0.954 133 Q CA -0.162 55.742 55.803 0.168 0.000 0.890 133 Q CB 1.302 30.122 28.738 0.137 0.000 1.210 133 Q HN 0.568 nan 8.270 nan 0.000 0.410 134 K N 2.035 122.440 120.400 0.009 0.000 2.214 134 K HA 0.174 4.494 4.320 -0.000 0.000 0.201 134 K C -0.149 176.423 176.600 -0.046 0.000 1.049 134 K CA 0.321 56.551 56.287 -0.095 0.000 0.978 134 K CB 0.764 33.019 32.500 -0.407 0.000 0.842 134 K HN 0.355 nan 8.250 nan 0.000 0.474 135 V N 2.378 122.284 119.914 -0.013 0.000 2.604 135 V HA 0.150 4.270 4.120 -0.000 0.000 0.305 135 V C -2.160 173.961 176.094 0.046 0.000 1.043 135 V CA -1.582 60.734 62.300 0.026 0.000 0.888 135 V CB 1.912 33.764 31.823 0.049 0.000 0.995 135 V HN -0.053 nan 8.190 nan 0.000 0.429 136 P HA 0.004 nan 4.420 nan 0.000 0.225 136 P C -0.170 177.141 177.300 0.019 0.000 1.156 136 P CA 0.894 64.008 63.100 0.024 0.000 0.787 136 P CB 0.200 31.909 31.700 0.014 0.000 0.802 137 K N -4.729 115.677 120.400 0.011 0.000 2.580 137 K HA 0.392 4.712 4.320 -0.000 0.000 0.288 137 K C -1.160 175.437 176.600 -0.005 0.000 1.041 137 K CA -0.865 55.428 56.287 0.010 0.000 0.855 137 K CB -0.159 32.344 32.500 0.004 0.000 1.543 137 K HN -0.522 nan 8.250 nan 0.000 0.388 138 T N 1.618 116.172 114.554 0.000 0.000 2.987 138 T HA 0.155 4.505 4.350 -0.000 0.000 0.288 138 T C 0.094 174.727 174.700 -0.112 0.000 0.981 138 T CA -0.171 61.903 62.100 -0.044 0.000 1.031 138 T CB -0.628 68.242 68.868 0.004 0.000 0.976 138 T HN 0.544 nan 8.240 nan 0.000 0.612 139 N N 1.440 120.021 118.700 -0.198 0.000 2.482 139 N HA 0.094 4.833 4.740 -0.000 0.000 0.179 139 N C -0.503 174.690 175.510 -0.527 0.000 1.039 139 N CA 0.254 53.097 53.050 -0.346 0.000 0.884 139 N CB 0.449 38.683 38.487 -0.421 0.000 1.113 139 N HN 0.402 nan 8.380 nan 0.000 0.440 140 Y N 0.672 120.717 120.300 -0.426 0.000 2.387 140 Y HA 0.451 5.001 4.550 -0.000 0.000 0.336 140 Y C -0.286 175.033 175.900 -0.969 0.000 1.067 140 Y CA -1.013 56.630 58.100 -0.761 0.000 1.114 140 Y CB 1.386 39.233 38.460 -1.020 0.000 1.208 140 Y HN -0.321 nan 8.280 nan 0.000 0.458 141 V N 4.911 124.342 119.914 -0.804 0.000 2.357 141 V HA 0.313 4.433 4.120 -0.000 0.000 0.284 141 V C -0.822 174.799 176.094 -0.787 0.000 1.018 141 V CA -0.942 60.878 62.300 -0.799 0.000 0.841 141 V CB 0.299 31.631 31.823 -0.819 0.000 0.991 141 V HN 0.446 nan 8.190 nan 0.000 0.437 142 F N 3.603 123.346 119.950 -0.345 0.000 2.411 142 F HA 0.559 5.086 4.527 -0.000 0.000 0.350 142 F C 0.531 176.130 175.800 -0.335 0.000 1.114 142 F CA -0.540 57.208 58.000 -0.420 0.000 1.135 142 F CB 0.978 39.901 39.000 -0.129 0.000 1.120 142 F HN 0.383 nan 8.300 nan 0.000 0.495 143 C N 2.804 121.925 119.300 -0.297 0.000 2.507 143 C HA 0.481 4.941 4.460 -0.000 0.000 0.319 143 C C -0.145 174.799 174.990 -0.077 0.000 1.208 143 C CA -1.394 57.527 59.018 -0.161 0.000 1.619 143 C CB 1.164 28.787 27.740 -0.195 0.000 2.230 143 C HN 0.810 nan 8.230 nan 0.000 0.492 144 N N 0.351 119.083 118.700 0.054 0.000 2.405 144 N HA 0.669 5.409 4.740 -0.000 0.000 0.299 144 N C -0.759 174.779 175.510 0.046 0.000 1.075 144 N CA -0.247 52.884 53.050 0.135 0.000 0.884 144 N CB 1.429 40.005 38.487 0.149 0.000 1.194 144 N HN 0.895 nan 8.380 nan 0.000 0.491 145 A N 1.157 124.007 122.820 0.049 0.000 2.291 145 A HA 0.186 4.506 4.320 -0.000 0.000 0.311 145 A C 0.652 178.205 177.584 -0.052 0.000 1.224 145 A CA -0.566 51.458 52.037 -0.022 0.000 0.821 145 A CB 0.921 19.928 19.000 0.011 0.000 1.172 145 A HN 0.885 nan 8.150 nan 0.000 0.494 146 E N 1.917 121.983 120.200 -0.223 0.000 2.158 146 E HA 0.005 4.355 4.350 -0.000 0.000 0.191 146 E C -0.707 175.766 176.600 -0.212 0.000 0.982 146 E CA 0.810 57.018 56.400 -0.320 0.000 0.823 146 E CB 0.079 29.430 29.700 -0.582 0.000 0.766 146 E HN 0.633 nan 8.360 nan 0.000 0.468 147 F N 1.250 121.215 119.950 0.026 0.000 2.427 147 F HA 0.211 4.738 4.527 -0.000 0.000 0.346 147 F C 0.143 175.960 175.800 0.028 0.000 1.120 147 F CA -1.826 56.184 58.000 0.018 0.000 1.033 147 F CB 1.090 40.103 39.000 0.022 0.000 1.126 147 F HN -0.252 nan 8.300 nan 0.000 0.462 148 V N 3.724 123.761 119.914 0.205 0.000 2.637 148 V HA 0.563 4.683 4.120 -0.000 0.000 0.296 148 V C -0.050 176.117 176.094 0.121 0.000 1.046 148 V CA -0.508 61.870 62.300 0.129 0.000 1.066 148 V CB 0.308 32.154 31.823 0.038 0.000 0.968 148 V HN 0.696 nan 8.190 nan 0.000 0.483 149 I N 1.237 121.887 120.570 0.133 0.000 2.969 149 I HA 0.760 4.930 4.170 -0.000 0.000 0.307 149 I C -2.741 173.460 176.117 0.140 0.000 1.149 149 I CA -2.830 58.547 61.300 0.129 0.000 1.008 149 I CB 2.464 40.547 38.000 0.138 0.000 1.232 149 I HN 0.402 nan 8.210 nan 0.000 0.435 150 P HA 0.109 nan 4.420 nan 0.000 0.269 150 P C -1.448 175.937 177.300 0.141 0.000 1.215 150 P CA 0.026 63.208 63.100 0.135 0.000 0.780 150 P CB 0.643 32.401 31.700 0.097 0.000 0.898 151 Q N 2.022 121.913 119.800 0.151 0.000 2.363 151 Q HA 0.377 4.717 4.340 -0.000 0.000 0.265 151 Q C -1.830 174.218 176.000 0.080 0.000 1.032 151 Q CA -1.623 54.252 55.803 0.118 0.000 0.746 151 Q CB 1.353 30.169 28.738 0.129 0.000 1.237 151 Q HN 0.440 nan 8.270 nan 0.000 0.475 152 P HA 0.154 nan 4.420 nan 0.000 0.278 152 P C -0.676 176.662 177.300 0.063 0.000 1.258 152 P CA -0.600 62.538 63.100 0.063 0.000 0.811 152 P CB 0.888 32.617 31.700 0.048 0.000 1.063 153 N N 1.097 119.841 118.700 0.073 0.000 2.968 153 N HA 0.033 4.772 4.740 -0.000 0.000 0.271 153 N C -0.196 175.355 175.510 0.068 0.000 1.174 153 N CA -0.170 52.929 53.050 0.083 0.000 1.096 153 N CB -0.719 37.830 38.487 0.103 0.000 1.403 153 N HN 0.267 nan 8.380 nan 0.000 0.522 154 D N 0.248 120.670 120.400 0.035 0.000 2.433 154 D HA 0.217 4.856 4.640 -0.000 0.000 0.211 154 D C 1.121 177.417 176.300 -0.007 0.000 1.114 154 D CA -0.012 54.000 54.000 0.021 0.000 0.837 154 D CB -0.162 40.642 40.800 0.006 0.000 0.984 154 D HN 0.294 nan 8.370 nan 0.000 0.505 155 G N 0.393 109.165 108.800 -0.047 0.000 2.143 155 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.249 155 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.249 155 G C 1.050 175.679 174.900 -0.451 0.000 0.981 155 G CA 0.827 45.816 45.100 -0.185 0.000 0.665 155 G HN 0.612 nan 8.290 nan 0.000 0.528 156 T N -3.623 110.732 114.554 -0.333 0.000 3.060 156 T HA 0.430 4.780 4.350 -0.000 0.000 0.249 156 T C 0.349 174.845 174.700 -0.341 0.000 1.079 156 T CA 1.030 62.959 62.100 -0.284 0.000 1.013 156 T CB 0.748 69.535 68.868 -0.135 0.000 0.975 156 T HN 0.472 nan 8.240 nan 0.000 0.518 157 D N -0.222 119.921 120.400 -0.428 0.000 2.354 157 D HA 0.295 4.935 4.640 -0.000 0.000 0.230 157 D C -0.497 175.671 176.300 -0.219 0.000 1.361 157 D CA -0.758 53.069 54.000 -0.287 0.000 0.992 157 D CB 0.215 40.952 40.800 -0.105 0.000 1.409 157 D HN -0.009 nan 8.370 nan 0.000 0.573 158 F N 1.099 121.061 119.950 0.020 0.000 2.743 158 F HA 0.110 4.636 4.527 -0.000 0.000 0.297 158 F C 1.578 177.381 175.800 0.005 0.000 1.131 158 F CA -0.140 57.868 58.000 0.014 0.000 1.426 158 F CB -0.543 38.462 39.000 0.008 0.000 1.116 158 F HN 0.243 nan 8.300 nan 0.000 0.583 159 S N 1.225 117.019 115.700 0.155 0.000 2.558 159 S HA -0.020 4.450 4.470 -0.000 0.000 0.293 159 S C 1.240 175.866 174.600 0.045 0.000 1.292 159 S CA -0.393 57.859 58.200 0.086 0.000 1.063 159 S CB 0.459 63.691 63.200 0.053 0.000 0.831 159 S HN 0.356 nan 8.310 nan 0.000 0.499 160 L N 1.379 122.611 121.223 0.015 0.000 2.275 160 L HA -0.093 4.247 4.340 -0.000 0.000 0.215 160 L C 1.797 178.611 176.870 -0.093 0.000 1.119 160 L CA 1.111 55.931 54.840 -0.034 0.000 0.790 160 L CB -0.739 41.300 42.059 -0.034 0.000 0.919 160 L HN 0.644 nan 8.230 nan 0.000 0.443 161 D N 0.140 120.508 120.400 -0.054 0.000 2.149 161 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 161 D C 1.202 177.445 176.300 -0.094 0.000 0.990 161 D CA 1.098 55.063 54.000 -0.060 0.000 0.839 161 D CB -0.127 40.673 40.800 -0.001 0.000 0.948 161 D HN 0.246 nan 8.370 nan 0.000 0.460 162 N N -0.071 118.605 118.700 -0.040 0.000 2.328 162 N HA 0.127 4.867 4.740 -0.000 0.000 0.247 162 N C -0.799 174.732 175.510 0.036 0.000 1.165 162 N CA 0.056 53.151 53.050 0.074 0.000 0.873 162 N CB 0.970 39.536 38.487 0.133 0.000 1.125 162 N HN -0.078 nan 8.380 nan 0.000 0.513 163 S N 0.431 115.992 115.700 -0.231 0.000 2.475 163 S HA 0.610 5.079 4.470 -0.000 0.000 0.298 163 S C -0.845 173.523 174.600 -0.386 0.000 1.119 163 S CA -0.318 57.809 58.200 -0.123 0.000 1.085 163 S CB 1.047 64.211 63.200 -0.059 0.000 1.028 163 S HN 0.163 nan 8.310 nan 0.000 0.489 164 Y N -0.184 120.173 120.300 0.095 0.000 2.689 164 Y HA 0.664 5.214 4.550 -0.000 0.000 0.333 164 Y C 0.449 176.417 175.900 0.114 0.000 1.190 164 Y CA -0.842 57.322 58.100 0.108 0.000 1.063 164 Y CB 1.786 40.313 38.460 0.111 0.000 1.294 164 Y HN 0.570 nan 8.280 nan 0.000 0.466 165 T N 0.624 115.366 114.554 0.314 0.000 2.864 165 T HA 0.806 5.156 4.350 -0.000 0.000 0.289 165 T C -1.246 173.593 174.700 0.231 0.000 1.082 165 T CA -0.657 61.577 62.100 0.222 0.000 1.009 165 T CB 0.979 69.948 68.868 0.170 0.000 1.234 165 T HN 0.542 nan 8.240 nan 0.000 0.526 166 M N 1.793 121.505 119.600 0.186 0.000 2.593 166 M HA 0.508 4.987 4.480 -0.000 0.000 0.290 166 M C -1.569 174.852 176.300 0.202 0.000 1.244 166 M CA -0.850 54.567 55.300 0.195 0.000 0.857 166 M CB 2.528 35.207 32.600 0.130 0.000 1.738 166 M HN 0.611 nan 8.290 nan 0.000 0.461 167 F N 1.245 121.206 119.950 0.019 0.000 2.405 167 F HA 0.537 5.064 4.527 -0.000 0.000 0.355 167 F C -0.632 175.092 175.800 -0.128 0.000 1.121 167 F CA -0.116 57.808 58.000 -0.127 0.000 1.112 167 F CB 0.967 39.673 39.000 -0.490 0.000 1.126 167 F HN 0.409 nan 8.300 nan 0.000 0.481 168 T N 5.908 120.075 114.554 -0.646 0.000 2.823 168 T HA 0.745 5.095 4.350 -0.000 0.000 0.279 168 T C -0.621 173.509 174.700 -0.950 0.000 0.998 168 T CA -0.542 61.181 62.100 -0.628 0.000 0.994 168 T CB 1.285 69.931 68.868 -0.368 0.000 0.960 168 T HN 0.761 nan 8.240 nan 0.000 0.448 169 A N 3.790 125.933 122.820 -1.127 0.000 2.303 169 A HA 0.809 5.129 4.320 -0.000 0.000 0.320 169 A C -0.444 176.595 177.584 -0.908 0.000 1.192 169 A CA -0.718 50.526 52.037 -1.323 0.000 0.821 169 A CB 0.335 17.868 19.000 -2.446 0.000 1.188 169 A HN 0.857 nan 8.150 nan 0.000 0.492 170 I N 1.231 121.406 120.570 -0.659 0.000 2.493 170 I HA 0.232 4.402 4.170 -0.000 0.000 0.298 170 I C -0.477 175.405 176.117 -0.392 0.000 0.998 170 I CA -0.711 60.318 61.300 -0.452 0.000 1.137 170 I CB 2.119 39.899 38.000 -0.367 0.000 1.310 170 I HN 0.746 nan 8.210 nan 0.000 0.445 171 D N 3.729 123.945 120.400 -0.306 0.000 2.339 171 D HA 0.299 4.939 4.640 -0.000 0.000 0.256 171 D C 0.945 177.081 176.300 -0.273 0.000 1.214 171 D CA 0.067 53.887 54.000 -0.300 0.000 0.877 171 D CB 1.575 42.238 40.800 -0.228 0.000 1.111 171 D HN 0.625 nan 8.370 nan 0.000 0.478 172 A N 4.506 127.135 122.820 -0.318 0.000 1.883 172 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 172 A C 1.914 179.451 177.584 -0.079 0.000 1.186 172 A CA 1.191 53.089 52.037 -0.232 0.000 0.624 172 A CB -0.401 18.469 19.000 -0.218 0.000 0.822 172 A HN 0.681 nan 8.150 nan 0.000 0.444 173 E N -0.736 119.420 120.200 -0.074 0.000 2.274 173 E HA -0.075 4.275 4.350 -0.000 0.000 0.194 173 E C 1.757 178.315 176.600 -0.070 0.000 0.996 173 E CA 1.558 57.938 56.400 -0.033 0.000 0.840 173 E CB -0.382 29.320 29.700 0.003 0.000 0.772 173 E HN 0.643 nan 8.360 nan 0.000 0.491 174 T N -0.108 114.390 114.554 -0.092 0.000 3.034 174 T HA 0.081 4.431 4.350 -0.000 0.000 0.248 174 T C 0.876 175.528 174.700 -0.081 0.000 1.040 174 T CA 0.018 62.071 62.100 -0.079 0.000 1.107 174 T CB 0.344 69.163 68.868 -0.081 0.000 0.932 174 T HN -0.037 nan 8.240 nan 0.000 0.474 175 M N 1.362 120.904 119.600 -0.097 0.000 2.872 175 M HA -0.122 4.358 4.480 -0.000 0.000 0.200 175 M C -1.436 174.817 176.300 -0.078 0.000 0.582 175 M CA 0.517 55.771 55.300 -0.076 0.000 0.706 175 M CB -1.827 30.744 32.600 -0.048 0.000 2.560 175 M HN 0.191 nan 8.290 nan 0.000 0.476 176 D N -0.007 120.333 120.400 -0.099 0.000 2.163 176 D HA 0.525 5.165 4.640 -0.000 0.000 0.248 176 D C 0.064 176.279 176.300 -0.141 0.000 1.035 176 D CA -0.330 53.616 54.000 -0.090 0.000 0.872 176 D CB 1.843 42.600 40.800 -0.071 0.000 1.183 176 D HN -0.033 nan 8.370 nan 0.000 0.445 177 V N 2.206 122.037 119.914 -0.139 0.000 2.599 177 V HA 0.128 4.248 4.120 -0.000 0.000 0.300 177 V C 1.323 177.287 176.094 -0.218 0.000 1.034 177 V CA 0.364 62.542 62.300 -0.203 0.000 1.115 177 V CB 0.940 32.667 31.823 -0.160 0.000 0.934 177 V HN 0.759 nan 8.190 nan 0.000 0.485 178 A N 6.050 128.663 122.820 -0.344 0.000 1.871 178 A HA 0.287 4.607 4.320 -0.000 0.000 0.211 178 A C 0.642 178.103 177.584 -0.205 0.000 1.207 178 A CA 0.788 52.644 52.037 -0.303 0.000 0.620 178 A CB 0.316 19.075 19.000 -0.402 0.000 0.860 178 A HN 0.967 nan 8.150 nan 0.000 0.450 179 W N -2.751 118.433 121.300 -0.193 0.000 2.982 179 W HA 0.630 5.290 4.660 -0.000 0.000 0.344 179 W C -1.838 174.538 176.519 -0.239 0.000 1.215 179 W CA -0.807 56.397 57.345 -0.235 0.000 1.182 179 W CB 0.360 29.666 29.460 -0.257 0.000 1.437 179 W HN 0.097 nan 8.180 nan 0.000 0.570 180 Q N 1.050 120.993 119.800 0.239 0.000 2.372 180 Q HA 0.576 4.916 4.340 -0.000 0.000 0.273 180 Q C -1.287 174.812 176.000 0.165 0.000 1.078 180 Q CA -1.095 54.794 55.803 0.143 0.000 0.806 180 Q CB 3.521 32.281 28.738 0.036 0.000 1.332 180 Q HN 0.270 nan 8.270 nan 0.000 0.435 181 V N 3.353 123.378 119.914 0.185 0.000 2.407 181 V HA 0.399 4.519 4.120 -0.000 0.000 0.291 181 V C -0.157 176.073 176.094 0.228 0.000 1.018 181 V CA -0.611 61.792 62.300 0.171 0.000 0.842 181 V CB 1.172 33.131 31.823 0.228 0.000 0.996 181 V HN 0.663 nan 8.190 nan 0.000 0.426 182 I N 5.845 126.519 120.570 0.173 0.000 2.588 182 I HA 0.384 4.554 4.170 -0.000 0.000 0.283 182 I C 0.257 176.524 176.117 0.252 0.000 1.119 182 I CA 0.079 61.486 61.300 0.178 0.000 1.419 182 I CB 1.027 39.070 38.000 0.071 0.000 1.394 182 I HN 0.542 nan 8.210 nan 0.000 0.562 183 V N 1.836 121.938 119.914 0.312 0.000 3.158 183 V HA 0.596 4.716 4.120 -0.000 0.000 0.311 183 V C -0.636 175.708 176.094 0.418 0.000 1.181 183 V CA -0.997 61.540 62.300 0.396 0.000 1.054 183 V CB 2.037 34.136 31.823 0.460 0.000 1.085 183 V HN 0.527 nan 8.190 nan 0.000 0.446 184 D N -0.019 120.639 120.400 0.431 0.000 2.432 184 D HA 0.593 5.233 4.640 -0.000 0.000 0.258 184 D C 0.846 177.496 176.300 0.584 0.000 1.146 184 D CA 1.238 55.484 54.000 0.409 0.000 1.015 184 D CB 1.415 42.276 40.800 0.101 0.000 1.107 184 D HN 1.371 nan 8.370 nan 0.000 0.529 185 G N 0.833 109.895 108.800 0.437 0.000 2.614 185 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.303 185 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.303 185 G C 0.050 175.028 174.900 0.129 0.000 1.270 185 G CA 0.868 46.083 45.100 0.193 0.000 0.988 185 G HN 0.879 nan 8.290 nan 0.000 0.551 186 N N -2.232 116.467 118.700 -0.001 0.000 3.229 186 N HA 0.737 5.477 4.740 -0.000 0.000 0.315 186 N C -1.023 174.488 175.510 0.002 0.000 1.520 186 N CA -1.238 51.794 53.050 -0.029 0.000 0.769 186 N CB 1.512 39.869 38.487 -0.217 0.000 1.766 186 N HN 0.688 nan 8.380 nan 0.000 0.618 187 L N -0.057 121.163 121.223 -0.006 0.000 2.410 187 L HA 0.393 4.733 4.340 -0.000 0.000 0.270 187 L C -0.271 176.640 176.870 0.069 0.000 0.983 187 L CA -0.703 54.180 54.840 0.072 0.000 0.822 187 L CB 1.810 43.975 42.059 0.176 0.000 1.285 187 L HN 0.736 nan 8.230 nan 0.000 0.409 188 D N 1.281 121.752 120.400 0.119 0.000 2.733 188 D HA 0.148 4.788 4.640 -0.000 0.000 0.262 188 D C -0.004 176.387 176.300 0.152 0.000 1.497 188 D CA 0.600 54.761 54.000 0.267 0.000 1.101 188 D CB 0.573 41.571 40.800 0.329 0.000 1.014 188 D HN 0.574 nan 8.370 nan 0.000 0.319 189 N N -1.384 117.322 118.700 0.009 0.000 2.432 189 N HA 0.516 5.255 4.740 -0.000 0.000 0.292 189 N C -1.036 174.435 175.510 -0.066 0.000 1.193 189 N CA -0.448 52.529 53.050 -0.121 0.000 0.878 189 N CB 2.407 40.782 38.487 -0.188 0.000 1.252 189 N HN 0.002 nan 8.380 nan 0.000 0.520 190 T N -0.677 113.827 114.554 -0.083 0.000 2.894 190 T HA 0.420 4.770 4.350 -0.000 0.000 0.309 190 T C -2.150 172.523 174.700 -0.045 0.000 1.208 190 T CA -0.536 61.536 62.100 -0.048 0.000 1.016 190 T CB 1.340 70.249 68.868 0.068 0.000 1.192 190 T HN 0.410 nan 8.240 nan 0.000 0.491 191 D N 0.193 120.556 120.400 -0.062 0.000 2.596 191 D HA 0.779 5.419 4.640 -0.000 0.000 0.262 191 D C -1.233 175.109 176.300 0.069 0.000 1.210 191 D CA -0.203 53.824 54.000 0.045 0.000 0.873 191 D CB 2.340 43.243 40.800 0.173 0.000 1.408 191 D HN 0.859 nan 8.370 nan 0.000 0.441 192 A N 0.554 123.520 122.820 0.244 0.000 2.430 192 A HA 0.670 4.990 4.320 -0.000 0.000 0.300 192 A C -0.603 177.233 177.584 0.421 0.000 1.124 192 A CA -0.550 51.671 52.037 0.307 0.000 0.766 192 A CB 1.280 20.422 19.000 0.237 0.000 1.328 192 A HN 0.581 nan 8.150 nan 0.000 0.424 193 D N -1.231 119.393 120.400 0.373 0.000 2.478 193 D HA 0.235 4.875 4.640 -0.000 0.000 0.274 193 D C -0.644 175.720 176.300 0.108 0.000 1.234 193 D CA 0.015 54.126 54.000 0.185 0.000 1.069 193 D CB 0.068 40.961 40.800 0.155 0.000 1.113 193 D HN 0.354 nan 8.370 nan 0.000 0.571 194 Y N -1.553 118.751 120.300 0.006 0.000 2.801 194 Y HA 0.248 4.798 4.550 -0.000 0.000 0.318 194 Y C 1.274 177.183 175.900 0.015 0.000 1.073 194 Y CA 0.101 58.210 58.100 0.014 0.000 1.360 194 Y CB 0.217 38.659 38.460 -0.029 0.000 1.220 194 Y HN 0.608 nan 8.280 nan 0.000 0.536 195 T N -6.690 107.936 114.554 0.120 0.000 3.098 195 T HA 0.380 4.730 4.350 -0.000 0.000 0.256 195 T C 1.629 176.360 174.700 0.051 0.000 0.921 195 T CA 0.610 62.752 62.100 0.071 0.000 0.916 195 T CB 0.368 69.261 68.868 0.042 0.000 1.246 195 T HN 0.280 nan 8.240 nan 0.000 0.511 196 G N 1.692 110.537 108.800 0.074 0.000 2.213 196 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.226 196 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.226 196 G C 0.746 175.688 174.900 0.070 0.000 0.992 196 G CA 0.670 45.836 45.100 0.110 0.000 0.632 196 G HN 0.695 nan 8.290 nan 0.000 0.511 197 K N -0.760 119.591 120.400 -0.082 0.000 2.137 197 K HA 0.245 4.565 4.320 -0.000 0.000 0.202 197 K C 0.206 176.542 176.600 -0.440 0.000 1.052 197 K CA 0.567 56.647 56.287 -0.344 0.000 0.961 197 K CB 0.047 32.156 32.500 -0.652 0.000 0.741 197 K HN 0.366 nan 8.250 nan 0.000 0.452 198 Y N -0.464 119.884 120.300 0.080 0.000 2.509 198 Y HA 0.607 5.157 4.550 -0.000 0.000 0.341 198 Y C -0.309 175.656 175.900 0.108 0.000 1.038 198 Y CA -1.244 56.915 58.100 0.098 0.000 1.089 198 Y CB 2.161 40.742 38.460 0.201 0.000 1.241 198 Y HN -0.024 nan 8.280 nan 0.000 0.468 199 A N 0.948 123.862 122.820 0.158 0.000 2.549 199 A HA 0.860 5.180 4.320 -0.000 0.000 0.297 199 A C -0.914 176.535 177.584 -0.225 0.000 1.061 199 A CA -0.592 51.345 52.037 -0.167 0.000 0.690 199 A CB 1.357 19.955 19.000 -0.670 0.000 1.287 199 A HN 0.774 nan 8.150 nan 0.000 0.402 200 T N -1.268 113.006 114.554 -0.466 0.000 2.916 200 T HA 0.830 5.180 4.350 -0.000 0.000 0.305 200 T C -0.504 173.974 174.700 -0.369 0.000 1.119 200 T CA -0.583 61.184 62.100 -0.556 0.000 1.008 200 T CB 1.646 69.927 68.868 -0.979 0.000 1.129 200 T HN 0.815 nan 8.240 nan 0.000 0.480 201 S N 1.154 116.689 115.700 -0.274 0.000 2.570 201 S HA 0.812 5.282 4.470 -0.000 0.000 0.286 201 S C 0.043 174.608 174.600 -0.059 0.000 1.099 201 S CA -0.960 57.175 58.200 -0.108 0.000 0.913 201 S CB 1.956 65.170 63.200 0.023 0.000 1.085 201 S HN 1.139 nan 8.310 nan 0.000 0.480 202 T N -1.338 113.210 114.554 -0.011 0.000 2.874 202 T HA 0.655 5.005 4.350 -0.000 0.000 0.281 202 T C -0.136 174.586 174.700 0.037 0.000 0.994 202 T CA -0.732 61.381 62.100 0.023 0.000 1.015 202 T CB 1.038 69.919 68.868 0.023 0.000 1.028 202 T HN 0.707 nan 8.240 nan 0.000 0.523 203 C N 3.063 122.343 119.300 -0.034 0.000 2.609 203 C HA 0.721 5.181 4.460 -0.000 0.000 0.313 203 C C 0.140 175.008 174.990 -0.202 0.000 1.175 203 C CA -0.782 58.112 59.018 -0.206 0.000 1.434 203 C CB -0.254 27.168 27.740 -0.529 0.000 2.005 203 C HN 1.039 nan 8.230 nan 0.000 0.471 204 Y N 2.775 122.980 120.300 -0.158 0.000 2.432 204 Y HA 0.500 5.050 4.550 -0.000 0.000 0.252 204 Y C 0.630 176.433 175.900 -0.162 0.000 1.097 204 Y CA -0.020 57.997 58.100 -0.138 0.000 1.250 204 Y CB -0.326 38.110 38.460 -0.039 0.000 1.245 204 Y HN 0.520 nan 8.280 nan 0.000 0.522 205 N N 1.307 119.780 118.700 -0.379 0.000 2.735 205 N HA 0.087 4.827 4.740 -0.000 0.000 0.312 205 N C 0.623 175.958 175.510 -0.292 0.000 1.843 205 N CA 0.573 53.481 53.050 -0.237 0.000 0.945 205 N CB 0.314 38.643 38.487 -0.264 0.000 1.299 205 N HN 0.384 nan 8.380 nan 0.000 0.489 206 S N -0.637 114.796 115.700 -0.445 0.000 2.507 206 S HA -0.055 4.415 4.470 -0.000 0.000 0.235 206 S C 1.024 175.513 174.600 -0.184 0.000 0.988 206 S CA 0.719 58.589 58.200 -0.550 0.000 0.944 206 S CB 0.020 62.584 63.200 -1.060 0.000 0.762 206 S HN 0.282 nan 8.310 nan 0.000 0.526 207 E N 1.077 121.195 120.200 -0.136 0.000 2.442 207 E HA 0.239 4.589 4.350 -0.000 0.000 0.195 207 E C 0.312 176.881 176.600 -0.051 0.000 1.030 207 E CA -0.184 56.178 56.400 -0.062 0.000 0.869 207 E CB -0.260 29.412 29.700 -0.046 0.000 0.857 207 E HN 0.403 nan 8.360 nan 0.000 0.505 208 R N -0.083 120.377 120.500 -0.066 0.000 3.251 208 R HA -0.201 4.139 4.340 -0.000 0.000 0.249 208 R C -0.651 175.623 176.300 -0.044 0.000 0.949 208 R CA 0.443 56.506 56.100 -0.061 0.000 0.645 208 R CB -2.060 28.185 30.300 -0.091 0.000 1.065 208 R HN 0.223 nan 8.270 nan 0.000 0.452 209 A N -0.362 122.444 122.820 -0.024 0.000 2.322 209 A HA 0.615 4.935 4.320 -0.000 0.000 0.327 209 A C 0.711 178.291 177.584 -0.007 0.000 1.134 209 A CA -0.178 51.849 52.037 -0.016 0.000 0.831 209 A CB 1.865 20.858 19.000 -0.012 0.000 1.288 209 A HN 0.144 nan 8.150 nan 0.000 0.472 210 V N 0.253 120.156 119.914 -0.020 0.000 2.788 210 V HA 0.095 4.215 4.120 -0.000 0.000 0.241 210 V C 0.435 176.511 176.094 -0.030 0.000 1.083 210 V CA 1.390 63.670 62.300 -0.033 0.000 1.103 210 V CB -0.431 31.360 31.823 -0.054 0.000 0.800 210 V HN 0.928 nan 8.190 nan 0.000 0.476 211 D N 0.785 121.169 120.400 -0.025 0.000 2.382 211 D HA -0.021 4.619 4.640 -0.000 0.000 0.245 211 D C 1.442 177.732 176.300 -0.017 0.000 1.120 211 D CA -0.104 53.881 54.000 -0.024 0.000 0.890 211 D CB 1.580 42.367 40.800 -0.022 0.000 1.201 211 D HN 0.324 nan 8.370 nan 0.000 0.433 212 L N 2.120 123.330 121.223 -0.022 0.000 2.010 212 L HA -0.350 3.990 4.340 -0.000 0.000 0.219 212 L C 2.441 179.301 176.870 -0.017 0.000 1.077 212 L CA 2.433 57.260 54.840 -0.022 0.000 0.773 212 L CB -0.559 41.483 42.059 -0.029 0.000 0.892 212 L HN 0.675 nan 8.230 nan 0.000 0.436 213 A N -0.507 122.304 122.820 -0.016 0.000 1.940 213 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 213 A C 2.261 179.838 177.584 -0.011 0.000 1.176 213 A CA 1.731 53.760 52.037 -0.014 0.000 0.631 213 A CB -1.198 17.795 19.000 -0.012 0.000 0.814 213 A HN 0.580 nan 8.150 nan 0.000 0.446 214 G N -0.557 108.237 108.800 -0.010 0.000 2.408 214 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.217 214 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.217 214 G C 1.693 176.590 174.900 -0.005 0.000 1.150 214 G CA 1.862 46.957 45.100 -0.009 0.000 0.776 214 G HN 0.733 nan 8.290 nan 0.000 0.542 215 T N -1.631 112.928 114.554 0.008 0.000 3.051 215 T HA 0.084 4.433 4.350 -0.000 0.000 0.269 215 T C 2.035 176.745 174.700 0.016 0.000 1.127 215 T CA 1.001 63.122 62.100 0.034 0.000 1.107 215 T CB -0.180 68.740 68.868 0.086 0.000 0.898 215 T HN 0.269 nan 8.240 nan 0.000 0.517 216 M N -0.659 118.938 119.600 -0.004 0.000 2.313 216 M HA 0.390 4.870 4.480 -0.000 0.000 0.273 216 M C 2.248 178.539 176.300 -0.015 0.000 1.049 216 M CA -0.374 54.918 55.300 -0.013 0.000 1.004 216 M CB 0.280 32.869 32.600 -0.019 0.000 1.461 216 M HN 0.093 nan 8.290 nan 0.000 0.514 217 R N 1.546 122.037 120.500 -0.015 0.000 2.097 217 R HA -0.077 4.262 4.340 -0.000 0.000 0.236 217 R C 0.260 176.552 176.300 -0.013 0.000 1.135 217 R CA 1.310 57.402 56.100 -0.013 0.000 0.934 217 R CB 0.007 30.299 30.300 -0.012 0.000 0.846 217 R HN 0.348 nan 8.270 nan 0.000 0.431 218 N N 1.502 120.189 118.700 -0.020 0.000 2.518 218 N HA -0.047 4.693 4.740 -0.000 0.000 0.266 218 N C 0.134 175.636 175.510 -0.014 0.000 1.196 218 N CA 0.149 53.190 53.050 -0.016 0.000 0.947 218 N CB 0.824 39.296 38.487 -0.025 0.000 1.098 218 N HN 0.170 nan 8.380 nan 0.000 0.450 219 D N 1.177 121.576 120.400 -0.002 0.000 2.178 219 D HA -0.052 4.588 4.640 -0.000 0.000 0.202 219 D C 0.231 176.532 176.300 0.002 0.000 0.974 219 D CA 1.403 55.404 54.000 0.001 0.000 0.841 219 D CB 0.509 41.314 40.800 0.009 0.000 0.953 219 D HN 0.398 nan 8.370 nan 0.000 0.478 220 R N 0.160 120.665 120.500 0.007 0.000 2.750 220 R HA 0.301 4.641 4.340 -0.000 0.000 0.281 220 R C -0.163 176.127 176.300 -0.016 0.000 0.972 220 R CA -0.663 55.446 56.100 0.014 0.000 0.912 220 R CB 2.394 32.725 30.300 0.052 0.000 1.187 220 R HN -0.118 nan 8.270 nan 0.000 0.464 221 D N 0.222 120.589 120.400 -0.054 0.000 2.995 221 D HA 0.419 5.059 4.640 -0.000 0.000 0.208 221 D C -0.570 175.723 176.300 -0.011 0.000 1.222 221 D CA 0.235 54.086 54.000 -0.248 0.000 1.201 221 D CB 0.696 41.302 40.800 -0.323 0.000 1.099 221 D HN 0.424 nan 8.370 nan 0.000 0.449 222 W N -0.980 120.342 121.300 0.037 0.000 2.946 222 W HA 0.520 5.180 4.660 -0.000 0.000 0.364 222 W C -2.330 174.187 176.519 -0.003 0.000 1.134 222 W CA -0.914 56.449 57.345 0.030 0.000 1.140 222 W CB 0.052 29.564 29.460 0.087 0.000 1.463 222 W HN -0.026 nan 8.180 nan 0.000 0.564 223 V N 2.595 122.717 119.914 0.347 0.000 2.409 223 V HA 0.552 4.672 4.120 -0.000 0.000 0.291 223 V C -0.426 175.647 176.094 -0.035 0.000 1.020 223 V CA -1.068 61.302 62.300 0.116 0.000 0.848 223 V CB 1.274 33.093 31.823 -0.007 0.000 0.990 223 V HN 0.512 nan 8.190 nan 0.000 0.430 224 V N 6.091 125.896 119.914 -0.183 0.000 2.406 224 V HA 0.385 4.505 4.120 -0.000 0.000 0.272 224 V C 0.077 175.643 176.094 -0.881 0.000 1.043 224 V CA -0.530 61.341 62.300 -0.714 0.000 0.915 224 V CB 1.406 32.699 31.823 -0.884 0.000 0.988 224 V HN 0.566 nan 8.190 nan 0.000 0.466 225 V N 5.694 125.148 119.914 -0.767 0.000 2.394 225 V HA 0.474 4.594 4.120 -0.000 0.000 0.282 225 V C -0.420 175.396 176.094 -0.464 0.000 1.031 225 V CA -0.369 61.631 62.300 -0.500 0.000 0.881 225 V CB 1.197 32.928 31.823 -0.155 0.000 0.982 225 V HN 0.646 nan 8.190 nan 0.000 0.451 226 F N 3.019 122.899 119.950 -0.116 0.000 2.415 226 F HA 0.400 4.927 4.527 -0.000 0.000 0.348 226 F C 0.754 176.570 175.800 0.027 0.000 1.119 226 F CA -0.670 57.290 58.000 -0.066 0.000 1.069 226 F CB 1.020 39.879 39.000 -0.234 0.000 1.124 226 F HN 0.396 nan 8.300 nan 0.000 0.472 227 N N 3.337 122.107 118.700 0.116 0.000 2.602 227 N HA 0.103 4.843 4.740 -0.000 0.000 0.238 227 N C 0.879 176.348 175.510 -0.067 0.000 1.084 227 N CA 0.082 53.034 53.050 -0.164 0.000 0.952 227 N CB 0.972 39.164 38.487 -0.492 0.000 1.244 227 N HN 0.465 nan 8.380 nan 0.000 0.512 228 V N 2.982 122.872 119.914 -0.039 0.000 2.332 228 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 228 V C 2.259 178.312 176.094 -0.069 0.000 1.055 228 V CA 1.597 63.890 62.300 -0.012 0.000 1.038 228 V CB -0.517 31.402 31.823 0.160 0.000 0.651 228 V HN 0.647 nan 8.190 nan 0.000 0.450 229 E N 0.071 120.214 120.200 -0.095 0.000 2.070 229 E HA -0.260 4.089 4.350 -0.000 0.000 0.197 229 E C 2.503 179.069 176.600 -0.056 0.000 1.004 229 E CA 1.573 57.928 56.400 -0.075 0.000 0.805 229 E CB -0.058 29.553 29.700 -0.148 0.000 0.744 229 E HN 0.521 nan 8.360 nan 0.000 0.451 230 R N -0.251 120.217 120.500 -0.053 0.000 2.153 230 R HA -0.004 4.336 4.340 -0.000 0.000 0.218 230 R C 2.375 178.745 176.300 0.117 0.000 1.072 230 R CA 0.810 56.944 56.100 0.056 0.000 0.990 230 R CB -0.040 30.320 30.300 0.100 0.000 0.889 230 R HN 0.287 nan 8.270 nan 0.000 0.452 231 I N 0.289 120.796 120.570 -0.105 0.000 2.353 231 I HA -0.169 4.001 4.170 -0.000 0.000 0.248 231 I C 2.499 178.254 176.117 -0.604 0.000 1.119 231 I CA 0.960 61.929 61.300 -0.552 0.000 1.417 231 I CB -0.308 37.105 38.000 -0.978 0.000 1.078 231 I HN 0.134 nan 8.210 nan 0.000 0.421 232 A N 0.891 123.477 122.820 -0.389 0.000 1.898 232 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 232 A C 2.563 180.107 177.584 -0.066 0.000 1.181 232 A CA 1.585 53.515 52.037 -0.179 0.000 0.620 232 A CB -0.715 18.336 19.000 0.084 0.000 0.819 232 A HN 0.394 nan 8.150 nan 0.000 0.442 233 A N 0.101 122.905 122.820 -0.027 0.000 1.883 233 A HA 0.106 4.426 4.320 -0.000 0.000 0.217 233 A C 2.521 180.134 177.584 0.048 0.000 1.186 233 A CA 2.266 54.318 52.037 0.025 0.000 0.624 233 A CB -1.097 17.925 19.000 0.037 0.000 0.822 233 A HN 1.073 nan 8.150 nan 0.000 0.444 234 A N -0.652 122.206 122.820 0.064 0.000 1.902 234 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 234 A C 2.233 179.881 177.584 0.107 0.000 1.181 234 A CA 1.857 53.968 52.037 0.123 0.000 0.623 234 A CB -0.927 18.210 19.000 0.229 0.000 0.818 234 A HN 0.424 nan 8.150 nan 0.000 0.443 235 V N 0.305 120.216 119.914 -0.005 0.000 2.358 235 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 235 V C 2.523 178.714 176.094 0.161 0.000 1.047 235 V CA 2.319 64.650 62.300 0.052 0.000 1.035 235 V CB -0.679 31.055 31.823 -0.149 0.000 0.658 235 V HN 0.705 nan 8.190 nan 0.000 0.452 236 K N 0.760 121.218 120.400 0.096 0.000 2.057 236 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 236 K C 1.927 178.599 176.600 0.121 0.000 1.049 236 K CA 1.619 57.969 56.287 0.105 0.000 0.931 236 K CB -0.296 32.246 32.500 0.071 0.000 0.714 236 K HN 0.441 nan 8.250 nan 0.000 0.440 237 A N 0.193 123.080 122.820 0.112 0.000 2.235 237 A HA 0.150 4.470 4.320 -0.000 0.000 0.208 237 A C 1.303 178.939 177.584 0.087 0.000 1.172 237 A CA 0.915 53.004 52.037 0.086 0.000 0.786 237 A CB -0.590 18.451 19.000 0.068 0.000 0.804 237 A HN 0.612 nan 8.150 nan 0.000 0.479 238 G N -0.409 108.498 108.800 0.178 0.000 2.153 238 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.252 238 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.252 238 G C -0.105 174.672 174.900 -0.205 0.000 0.994 238 G CA 0.176 45.313 45.100 0.061 0.000 0.698 238 G HN 0.494 nan 8.290 nan 0.000 0.521 239 N N 0.671 119.397 118.700 0.043 0.000 2.807 239 N HA 0.550 5.289 4.740 -0.000 0.000 0.259 239 N C -0.164 175.421 175.510 0.126 0.000 1.149 239 N CA 0.653 53.709 53.050 0.010 0.000 1.042 239 N CB -0.253 38.288 38.487 0.089 0.000 1.367 239 N HN 0.670 nan 8.380 nan 0.000 0.516 240 F N -1.434 118.527 119.950 0.018 0.000 2.817 240 F HA 0.598 5.125 4.527 -0.000 0.000 0.317 240 F C -0.807 175.001 175.800 0.013 0.000 1.168 240 F CA -1.218 56.785 58.000 0.004 0.000 0.911 240 F CB 1.297 40.286 39.000 -0.018 0.000 1.337 240 F HN -0.245 nan 8.300 nan 0.000 0.464 241 K N -0.319 120.274 120.400 0.322 0.000 2.349 241 K HA 0.823 5.143 4.320 -0.000 0.000 0.243 241 K C -1.278 175.491 176.600 0.281 0.000 1.058 241 K CA -0.839 55.566 56.287 0.198 0.000 0.871 241 K CB 2.459 35.017 32.500 0.097 0.000 1.337 241 K HN 0.922 nan 8.250 nan 0.000 0.469 242 T N -1.676 112.981 114.554 0.171 0.000 2.906 242 T HA 0.683 5.033 4.350 -0.000 0.000 0.295 242 T C -0.434 174.319 174.700 0.089 0.000 1.075 242 T CA -0.830 61.354 62.100 0.141 0.000 1.005 242 T CB 0.919 69.871 68.868 0.140 0.000 1.136 242 T HN 0.374 nan 8.240 nan 0.000 0.498 243 I N 1.407 122.020 120.570 0.073 0.000 2.465 243 I HA 0.593 4.763 4.170 -0.000 0.000 0.291 243 I C 1.228 177.376 176.117 0.053 0.000 1.014 243 I CA -0.461 60.875 61.300 0.060 0.000 1.093 243 I CB 1.445 39.482 38.000 0.061 0.000 1.267 243 I HN 1.188 nan 8.210 nan 0.000 0.431 244 G N 5.160 113.988 108.800 0.047 0.000 2.614 244 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.303 244 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.303 244 G C 0.312 175.235 174.900 0.038 0.000 1.270 244 G CA 0.493 45.617 45.100 0.041 0.000 0.988 244 G HN 0.677 nan 8.290 nan 0.000 0.551 245 D N 0.738 121.159 120.400 0.034 0.000 2.349 245 D HA 0.251 4.891 4.640 -0.000 0.000 0.224 245 D C 1.145 177.463 176.300 0.031 0.000 1.029 245 D CA 1.065 55.083 54.000 0.030 0.000 0.879 245 D CB 0.288 41.102 40.800 0.024 0.000 0.906 245 D HN 0.401 nan 8.370 nan 0.000 0.528 246 S N 0.528 116.249 115.700 0.035 0.000 2.525 246 S HA 0.154 4.624 4.470 -0.000 0.000 0.278 246 S C 1.041 175.666 174.600 0.041 0.000 1.234 246 S CA -0.599 57.620 58.200 0.032 0.000 1.058 246 S CB 1.030 64.247 63.200 0.028 0.000 0.983 246 S HN -0.185 nan 8.310 nan 0.000 0.495 247 K N 2.774 123.195 120.400 0.035 0.000 2.404 247 K HA 0.170 4.490 4.320 -0.000 0.000 0.194 247 K C 0.074 176.691 176.600 0.028 0.000 1.023 247 K CA 0.088 56.406 56.287 0.052 0.000 1.094 247 K CB -0.181 32.347 32.500 0.046 0.000 0.841 247 K HN 0.465 nan 8.250 nan 0.000 0.523 248 V N 4.039 123.951 119.914 -0.002 0.000 2.673 248 V HA -0.003 4.117 4.120 -0.000 0.000 0.303 248 V C -2.205 173.836 176.094 -0.090 0.000 1.046 248 V CA -1.066 61.201 62.300 -0.054 0.000 1.126 248 V CB 0.096 31.891 31.823 -0.047 0.000 0.934 248 V HN 0.035 nan 8.190 nan 0.000 0.487 249 P HA 0.212 nan 4.420 nan 0.000 0.271 249 P C -0.883 176.326 177.300 -0.152 0.000 1.220 249 P CA 0.123 62.884 63.100 -0.565 0.000 0.768 249 P CB 0.622 31.651 31.700 -1.118 0.000 0.848 250 V N 4.923 124.852 119.914 0.026 0.000 2.531 250 V HA 0.395 4.515 4.120 -0.000 0.000 0.301 250 V C 0.243 176.378 176.094 0.070 0.000 1.034 250 V CA -0.718 61.617 62.300 0.060 0.000 0.865 250 V CB 2.005 33.878 31.823 0.083 0.000 0.995 250 V HN 0.367 nan 8.190 nan 0.000 0.424 251 V N 0.510 120.401 119.914 -0.039 0.000 2.769 251 V HA 0.699 4.819 4.120 -0.000 0.000 0.312 251 V C -0.535 175.557 176.094 -0.003 0.000 1.058 251 V CA -0.667 61.570 62.300 -0.106 0.000 0.952 251 V CB 2.106 33.576 31.823 -0.588 0.000 1.019 251 V HN 0.738 nan 8.190 nan 0.000 0.445 252 D N 2.568 123.043 120.400 0.126 0.000 2.280 252 D HA 0.520 5.160 4.640 -0.000 0.000 0.243 252 D C 0.683 177.158 176.300 0.292 0.000 1.129 252 D CA 0.343 54.441 54.000 0.163 0.000 0.848 252 D CB 1.731 42.606 40.800 0.125 0.000 1.107 252 D HN 0.959 nan 8.370 nan 0.000 0.471 253 G N 3.456 112.410 108.800 0.257 0.000 3.575 253 G HA2 0.064 4.024 3.960 -0.000 0.000 0.273 253 G HA3 0.064 4.024 3.960 -0.000 0.000 0.273 253 G C 0.641 175.706 174.900 0.274 0.000 1.053 253 G CA -0.310 44.978 45.100 0.314 0.000 0.803 253 G HN 0.299 nan 8.290 nan 0.000 0.528 254 R N 0.235 120.851 120.500 0.193 0.000 2.539 254 R HA 0.488 4.828 4.340 -0.000 0.000 0.275 254 R C 1.347 177.681 176.300 0.057 0.000 1.077 254 R CA 0.702 56.878 56.100 0.127 0.000 1.097 254 R CB 0.780 31.104 30.300 0.040 0.000 1.018 254 R HN 0.291 nan 8.270 nan 0.000 0.483 255 G N 1.955 110.713 108.800 -0.070 0.000 2.582 255 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.288 255 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.288 255 G C -0.611 174.271 174.900 -0.031 0.000 1.247 255 G CA -0.163 44.873 45.100 -0.107 0.000 0.972 255 G HN 0.684 nan 8.290 nan 0.000 0.557 256 E N 0.900 121.074 120.200 -0.043 0.000 2.159 256 E HA 0.444 4.794 4.350 -0.000 0.000 0.272 256 E C 0.096 176.677 176.600 -0.031 0.000 1.138 256 E CA 0.599 56.973 56.400 -0.043 0.000 0.915 256 E CB 0.734 30.401 29.700 -0.055 0.000 1.028 256 E HN 0.556 nan 8.360 nan 0.000 0.423 257 S N 2.164 117.849 115.700 -0.026 0.000 2.569 257 S HA 0.118 4.588 4.470 -0.000 0.000 0.280 257 S C 0.667 175.200 174.600 -0.112 0.000 1.111 257 S CA -0.771 57.397 58.200 -0.054 0.000 0.887 257 S CB 1.255 64.503 63.200 0.081 0.000 1.095 257 S HN 0.624 nan 8.310 nan 0.000 0.476 258 E N 1.858 121.876 120.200 -0.303 0.000 2.371 258 E HA -0.015 4.335 4.350 -0.000 0.000 0.194 258 E C 0.423 176.986 176.600 -0.062 0.000 1.012 258 E CA 0.810 57.071 56.400 -0.231 0.000 0.860 258 E CB -0.293 29.166 29.700 -0.402 0.000 0.811 258 E HN 0.624 nan 8.360 nan 0.000 0.502 259 F N 2.425 122.456 119.950 0.135 0.000 2.335 259 F HA 0.099 4.626 4.527 -0.000 0.000 0.296 259 F C 1.438 177.372 175.800 0.224 0.000 1.091 259 F CA 0.819 58.901 58.000 0.136 0.000 1.399 259 F CB -0.301 38.744 39.000 0.074 0.000 1.067 259 F HN -0.021 nan 8.300 nan 0.000 0.520 260 T N -1.749 112.970 114.554 0.275 0.000 2.916 260 T HA 0.789 5.139 4.350 -0.000 0.000 0.292 260 T C -0.910 173.606 174.700 -0.308 0.000 1.064 260 T CA -0.919 61.145 62.100 -0.060 0.000 1.011 260 T CB 2.842 71.493 68.868 -0.361 0.000 1.152 260 T HN -0.121 nan 8.240 nan 0.000 0.510 261 R N 0.367 120.507 120.500 -0.599 0.000 2.515 261 R HA 0.475 4.815 4.340 -0.000 0.000 0.291 261 R C -2.034 173.860 176.300 -0.676 0.000 1.046 261 R CA -0.732 54.985 56.100 -0.639 0.000 0.914 261 R CB 0.959 30.735 30.300 -0.872 0.000 1.191 261 R HN 0.765 nan 8.270 nan 0.000 0.435 262 Y N 4.518 124.540 120.300 -0.465 0.000 2.595 262 Y HA 0.404 4.954 4.550 -0.000 0.000 0.336 262 Y C 0.366 176.103 175.900 -0.271 0.000 0.996 262 Y CA -0.564 57.222 58.100 -0.523 0.000 1.260 262 Y CB 0.571 38.477 38.460 -0.923 0.000 1.108 262 Y HN 0.378 nan 8.280 nan 0.000 0.509 263 I N 6.829 127.362 120.570 -0.061 0.000 2.347 263 I HA 0.152 4.322 4.170 -0.000 0.000 0.294 263 I C -2.051 174.142 176.117 0.126 0.000 1.090 263 I CA -2.114 59.191 61.300 0.007 0.000 1.314 263 I CB 0.504 38.489 38.000 -0.025 0.000 1.423 263 I HN 0.293 nan 8.210 nan 0.000 0.503 264 P HA 0.016 nan 4.420 nan 0.000 0.262 264 P C -0.595 176.777 177.300 0.120 0.000 1.199 264 P CA 0.263 63.476 63.100 0.188 0.000 0.763 264 P CB 0.962 32.747 31.700 0.143 0.000 0.790 265 V N 6.632 126.617 119.914 0.117 0.000 2.656 265 V HA 0.301 4.421 4.120 -0.000 0.000 0.307 265 V C -2.248 173.865 176.094 0.032 0.000 1.051 265 V CA -2.500 59.836 62.300 0.059 0.000 0.893 265 V CB 2.020 33.875 31.823 0.053 0.000 0.999 265 V HN 0.362 nan 8.190 nan 0.000 0.426 266 P HA -0.050 nan 4.420 nan 0.000 0.257 266 P C -0.170 177.126 177.300 -0.007 0.000 1.162 266 P CA 0.300 63.401 63.100 0.002 0.000 0.762 266 P CB 0.072 31.769 31.700 -0.006 0.000 0.753 267 K N 3.937 124.331 120.400 -0.011 0.000 3.130 267 K HA -0.290 4.029 4.320 -0.000 0.000 0.365 267 K C 0.157 176.747 176.600 -0.017 0.000 0.979 267 K CA 0.737 57.013 56.287 -0.018 0.000 0.948 267 K CB -0.933 31.556 32.500 -0.019 0.000 1.473 267 K HN 0.570 nan 8.250 nan 0.000 0.379 268 N N -0.293 118.401 118.700 -0.009 0.000 2.707 268 N HA -0.150 4.590 4.740 -0.000 0.000 0.253 268 N C -2.565 172.975 175.510 0.050 0.000 0.998 268 N CA 1.020 54.091 53.050 0.036 0.000 0.751 268 N CB -0.866 37.618 38.487 -0.006 0.000 0.920 268 N HN 0.433 nan 8.380 nan 0.000 0.539 269 P HA -0.091 nan 4.420 nan 0.000 0.266 269 P C 0.462 177.837 177.300 0.124 0.000 1.186 269 P CA 0.634 63.765 63.100 0.051 0.000 0.767 269 P CB 0.905 32.622 31.700 0.028 0.000 0.820 270 H N 2.122 121.164 119.070 -0.047 0.000 2.772 270 H HA 0.325 4.881 4.556 -0.000 0.000 0.222 270 H C 0.958 176.235 175.328 -0.085 0.000 1.135 270 H CA 0.936 56.950 56.048 -0.057 0.000 1.513 270 H CB -0.316 29.345 29.762 -0.170 0.000 1.377 270 H HN 0.500 nan 8.280 nan 0.000 0.524 271 G N 0.864 109.420 108.800 -0.408 0.000 2.527 271 G HA2 0.382 4.342 3.960 -0.000 0.000 0.248 271 G HA3 0.382 4.342 3.960 -0.000 0.000 0.248 271 G C -1.062 173.800 174.900 -0.064 0.000 1.231 271 G CA -0.246 44.644 45.100 -0.349 0.000 0.838 271 G HN 0.457 nan 8.290 nan 0.000 0.570 272 L N 1.543 122.786 121.223 0.033 0.000 2.518 272 L HA 0.378 4.718 4.340 -0.000 0.000 0.262 272 L C -1.137 175.839 176.870 0.178 0.000 0.982 272 L CA -0.797 54.089 54.840 0.076 0.000 0.873 272 L CB 1.196 43.246 42.059 -0.015 0.000 1.198 272 L HN 0.618 nan 8.230 nan 0.000 0.427 273 N N 1.484 120.359 118.700 0.290 0.000 2.319 273 N HA 0.601 5.341 4.740 -0.000 0.000 0.305 273 N C -1.163 174.686 175.510 0.566 0.000 1.103 273 N CA -0.676 52.626 53.050 0.419 0.000 0.815 273 N CB 2.155 40.889 38.487 0.413 0.000 1.288 273 N HN 0.255 nan 8.380 nan 0.000 0.493 274 T N 0.510 115.384 114.554 0.534 0.000 2.799 274 T HA 0.378 4.728 4.350 -0.000 0.000 0.286 274 T C 0.198 174.961 174.700 0.105 0.000 0.973 274 T CA -0.804 61.533 62.100 0.396 0.000 1.035 274 T CB 0.497 69.605 68.868 0.401 0.000 0.932 274 T HN 0.588 nan 8.240 nan 0.000 0.469 275 S N 3.623 119.098 115.700 -0.377 0.000 2.585 275 S HA 0.207 4.677 4.470 -0.000 0.000 0.273 275 S C -1.874 172.385 174.600 -0.569 0.000 1.339 275 S CA -1.210 56.275 58.200 -1.192 0.000 1.028 275 S CB 0.672 63.310 63.200 -0.936 0.000 0.906 275 S HN 0.338 nan 8.310 nan 0.000 0.528 276 P HA -0.129 nan 4.420 nan 0.000 0.216 276 P C 0.736 177.693 177.300 -0.571 0.000 1.150 276 P CA 1.445 64.335 63.100 -0.351 0.000 0.837 276 P CB -0.249 31.343 31.700 -0.180 0.000 0.786 277 D N -1.454 118.663 120.400 -0.472 0.000 2.350 277 D HA -0.011 4.629 4.640 -0.000 0.000 0.216 277 D C 1.431 177.396 176.300 -0.558 0.000 0.968 277 D CA 1.049 54.786 54.000 -0.438 0.000 0.894 277 D CB -1.320 39.286 40.800 -0.324 0.000 0.909 277 D HN 0.232 nan 8.370 nan 0.000 0.520 278 G N 0.832 109.218 108.800 -0.690 0.000 2.153 278 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.252 278 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.252 278 G C 0.730 175.394 174.900 -0.393 0.000 0.994 278 G CA 0.638 45.400 45.100 -0.564 0.000 0.698 278 G HN 0.643 nan 8.290 nan 0.000 0.521 279 K N -1.422 118.663 120.400 -0.525 0.000 2.402 279 K HA 0.492 4.811 4.320 -0.000 0.000 0.204 279 K C -0.337 175.796 176.600 -0.778 0.000 1.056 279 K CA -0.386 55.505 56.287 -0.659 0.000 1.069 279 K CB 0.810 32.839 32.500 -0.786 0.000 0.888 279 K HN 0.285 nan 8.250 nan 0.000 0.546 280 Y N 0.142 120.292 120.300 -0.250 0.000 2.457 280 Y HA 0.444 4.993 4.550 -0.000 0.000 0.343 280 Y C -1.038 174.818 175.900 -0.075 0.000 0.994 280 Y CA -1.780 56.231 58.100 -0.148 0.000 1.031 280 Y CB 1.343 39.770 38.460 -0.055 0.000 1.246 280 Y HN -0.145 nan 8.280 nan 0.000 0.449 281 F N 3.870 123.961 119.950 0.236 0.000 2.375 281 F HA 0.528 5.055 4.527 -0.000 0.000 0.361 281 F C -0.232 175.679 175.800 0.185 0.000 1.117 281 F CA -1.481 56.625 58.000 0.177 0.000 1.037 281 F CB 0.829 39.887 39.000 0.097 0.000 1.192 281 F HN 0.270 nan 8.300 nan 0.000 0.452 282 I N 3.768 124.599 120.570 0.435 0.000 2.339 282 I HA 0.516 4.685 4.170 -0.000 0.000 0.290 282 I C -0.059 176.188 176.117 0.216 0.000 0.994 282 I CA -0.713 60.778 61.300 0.317 0.000 1.191 282 I CB 1.294 39.534 38.000 0.399 0.000 1.343 282 I HN 0.588 nan 8.210 nan 0.000 0.458 283 A N 6.864 129.763 122.820 0.131 0.000 2.292 283 A HA 0.472 4.791 4.320 -0.000 0.000 0.319 283 A C -0.327 177.281 177.584 0.040 0.000 1.206 283 A CA -0.718 51.360 52.037 0.068 0.000 0.835 283 A CB 0.385 19.410 19.000 0.042 0.000 1.164 283 A HN 0.754 nan 8.150 nan 0.000 0.505 284 N N 1.954 120.663 118.700 0.016 0.000 2.444 284 N HA 0.174 4.914 4.740 -0.000 0.000 0.271 284 N C 1.179 176.681 175.510 -0.013 0.000 1.069 284 N CA 0.367 53.414 53.050 -0.006 0.000 0.965 284 N CB 1.661 40.127 38.487 -0.036 0.000 1.092 284 N HN 0.812 nan 8.380 nan 0.000 0.476 285 G N 1.734 110.517 108.800 -0.028 0.000 2.509 285 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 285 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 285 G C 1.143 176.026 174.900 -0.027 0.000 1.124 285 G CA 0.563 45.647 45.100 -0.027 0.000 0.776 285 G HN 0.806 nan 8.290 nan 0.000 0.547 286 K N -1.266 119.114 120.400 -0.033 0.000 6.999 286 K HA -0.348 3.972 4.320 -0.000 0.000 0.344 286 K C 1.884 178.457 176.600 -0.045 0.000 0.603 286 K CA 2.249 58.502 56.287 -0.056 0.000 1.181 286 K CB -1.404 31.040 32.500 -0.093 0.000 0.790 286 K HN 0.199 nan 8.250 nan 0.000 0.953 287 L N 0.626 121.819 121.223 -0.050 0.000 2.450 287 L HA -0.030 4.310 4.340 -0.000 0.000 0.224 287 L C 1.018 177.874 176.870 -0.023 0.000 1.149 287 L CA 0.664 55.481 54.840 -0.037 0.000 0.816 287 L CB -0.070 41.965 42.059 -0.041 0.000 0.932 287 L HN 0.259 nan 8.230 nan 0.000 0.449 288 S N 0.149 115.834 115.700 -0.024 0.000 2.449 288 S HA 0.335 4.805 4.470 -0.000 0.000 0.310 288 S C -1.869 172.714 174.600 -0.029 0.000 1.096 288 S CA -1.581 56.606 58.200 -0.022 0.000 1.095 288 S CB 1.336 64.523 63.200 -0.022 0.000 1.007 288 S HN -0.073 nan 8.310 nan 0.000 0.474 289 P HA 0.056 nan 4.420 nan 0.000 0.279 289 P C 0.259 177.518 177.300 -0.069 0.000 1.451 289 P CA 0.248 63.327 63.100 -0.035 0.000 0.783 289 P CB -0.822 30.864 31.700 -0.023 0.000 1.490 290 T N -3.986 110.520 114.554 -0.081 0.000 2.762 290 T HA 0.633 4.983 4.350 -0.000 0.000 0.272 290 T C -0.487 174.122 174.700 -0.151 0.000 0.982 290 T CA -0.905 61.116 62.100 -0.133 0.000 1.013 290 T CB 1.677 70.480 68.868 -0.109 0.000 1.309 290 T HN -0.177 nan 8.240 nan 0.000 0.572 291 V N 0.237 120.025 119.914 -0.211 0.000 2.971 291 V HA 0.667 4.787 4.120 -0.000 0.000 0.309 291 V C -0.993 175.006 176.094 -0.158 0.000 1.130 291 V CA -0.710 61.486 62.300 -0.173 0.000 0.964 291 V CB 2.664 34.324 31.823 -0.272 0.000 1.029 291 V HN 1.116 nan 8.190 nan 0.000 0.427 292 S N 2.854 118.512 115.700 -0.070 0.000 2.498 292 S HA 0.575 5.045 4.470 -0.000 0.000 0.317 292 S C -0.680 173.912 174.600 -0.012 0.000 1.090 292 S CA -0.456 57.700 58.200 -0.073 0.000 1.089 292 S CB 1.603 64.782 63.200 -0.034 0.000 0.997 292 S HN 0.473 nan 8.310 nan 0.000 0.470 293 V N 5.291 125.163 119.914 -0.070 0.000 2.304 293 V HA 0.372 4.492 4.120 -0.000 0.000 0.269 293 V C -0.122 175.980 176.094 0.014 0.000 1.036 293 V CA -0.434 61.852 62.300 -0.023 0.000 0.840 293 V CB 0.274 31.997 31.823 -0.167 0.000 1.036 293 V HN 0.784 nan 8.190 nan 0.000 0.466 294 I N 4.101 124.756 120.570 0.141 0.000 2.342 294 I HA 0.483 4.653 4.170 -0.000 0.000 0.291 294 I C 0.837 177.095 176.117 0.234 0.000 1.010 294 I CA -0.206 61.194 61.300 0.167 0.000 1.308 294 I CB 1.445 39.573 38.000 0.213 0.000 1.400 294 I HN 0.631 nan 8.210 nan 0.000 0.488 295 A N 7.200 130.129 122.820 0.181 0.000 2.310 295 A HA 0.394 4.714 4.320 -0.000 0.000 0.300 295 A C 1.000 178.589 177.584 0.008 0.000 1.269 295 A CA -0.337 51.790 52.037 0.151 0.000 0.909 295 A CB -0.053 19.032 19.000 0.142 0.000 1.144 295 A HN 0.852 nan 8.150 nan 0.000 0.540 296 I N 1.356 121.856 120.570 -0.118 0.000 2.567 296 I HA -0.174 3.996 4.170 -0.000 0.000 0.257 296 I C 1.931 177.994 176.117 -0.090 0.000 1.184 296 I CA 1.042 62.234 61.300 -0.181 0.000 1.451 296 I CB -0.049 37.730 38.000 -0.369 0.000 1.089 296 I HN 0.737 nan 8.210 nan 0.000 0.441 297 D N 1.664 122.013 120.400 -0.085 0.000 2.219 297 D HA -0.162 4.478 4.640 -0.000 0.000 0.205 297 D C 1.727 178.029 176.300 0.002 0.000 0.970 297 D CA 1.132 55.108 54.000 -0.040 0.000 0.851 297 D CB 0.200 40.964 40.800 -0.061 0.000 0.943 297 D HN 0.356 nan 8.370 nan 0.000 0.488 298 K N -0.040 120.361 120.400 0.002 0.000 2.404 298 K HA 0.138 4.458 4.320 -0.000 0.000 0.194 298 K C 2.008 178.618 176.600 0.016 0.000 1.023 298 K CA -0.257 56.041 56.287 0.018 0.000 1.094 298 K CB 0.656 33.169 32.500 0.022 0.000 0.841 298 K HN 0.184 nan 8.250 nan 0.000 0.523 299 L N 1.064 122.276 121.223 -0.019 0.000 2.093 299 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 299 L C 1.743 178.710 176.870 0.162 0.000 1.085 299 L CA 1.100 55.906 54.840 -0.058 0.000 0.755 299 L CB -0.312 41.428 42.059 -0.531 0.000 0.904 299 L HN 0.201 nan 8.230 nan 0.000 0.435 300 D N 0.249 120.769 120.400 0.199 0.000 2.104 300 D HA -0.203 4.437 4.640 -0.000 0.000 0.194 300 D C 1.700 178.114 176.300 0.190 0.000 0.994 300 D CA 1.421 55.570 54.000 0.249 0.000 0.830 300 D CB -0.144 40.759 40.800 0.172 0.000 0.959 300 D HN 0.307 nan 8.370 nan 0.000 0.452 301 D N 0.274 120.743 120.400 0.115 0.000 2.178 301 D HA -0.112 4.528 4.640 -0.000 0.000 0.201 301 D C 2.174 178.510 176.300 0.060 0.000 0.980 301 D CA 0.183 54.229 54.000 0.075 0.000 0.842 301 D CB -0.177 40.649 40.800 0.044 0.000 0.948 301 D HN 0.137 nan 8.370 nan 0.000 0.472 302 L N -0.364 120.890 121.223 0.052 0.000 2.093 302 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 302 L C 1.506 178.308 176.870 -0.113 0.000 1.085 302 L CA 1.377 56.184 54.840 -0.056 0.000 0.755 302 L CB -0.499 41.481 42.059 -0.131 0.000 0.904 302 L HN -0.128 nan 8.230 nan 0.000 0.435 303 F N -0.870 119.073 119.950 -0.011 0.000 2.804 303 F HA 0.084 4.611 4.527 -0.000 0.000 0.303 303 F C 1.839 177.639 175.800 -0.001 0.000 1.154 303 F CA 0.255 58.256 58.000 0.002 0.000 1.401 303 F CB 0.017 39.055 39.000 0.064 0.000 1.106 303 F HN 0.165 nan 8.300 nan 0.000 0.568 304 E N -0.485 119.786 120.200 0.118 0.000 2.562 304 E HA 0.056 4.406 4.350 -0.000 0.000 0.214 304 E C 0.020 176.630 176.600 0.017 0.000 0.979 304 E CA 0.193 56.634 56.400 0.068 0.000 1.002 304 E CB 0.103 29.845 29.700 0.070 0.000 1.048 304 E HN 0.086 nan 8.360 nan 0.000 0.488 305 D N 0.142 120.534 120.400 -0.014 0.000 2.945 305 D HA -0.224 4.416 4.640 -0.000 0.000 0.225 305 D C 0.551 176.839 176.300 -0.021 0.000 1.158 305 D CA 0.743 54.720 54.000 -0.039 0.000 0.805 305 D CB -0.675 40.100 40.800 -0.040 0.000 1.098 305 D HN 0.363 nan 8.370 nan 0.000 0.426 306 K N -0.108 120.288 120.400 -0.006 0.000 2.366 306 K HA 0.065 4.385 4.320 -0.000 0.000 0.198 306 K C 1.489 178.086 176.600 -0.004 0.000 1.044 306 K CA 0.784 57.071 56.287 0.000 0.000 0.973 306 K CB 0.381 32.889 32.500 0.013 0.000 0.767 306 K HN 0.526 nan 8.250 nan 0.000 0.475 307 I N -2.875 117.687 120.570 -0.013 0.000 3.264 307 I HA 0.425 4.595 4.170 -0.000 0.000 0.315 307 I C -0.864 175.236 176.117 -0.029 0.000 1.154 307 I CA -1.364 59.928 61.300 -0.013 0.000 0.962 307 I CB 1.894 39.892 38.000 -0.004 0.000 1.265 307 I HN -0.344 nan 8.210 nan 0.000 0.463 308 E N 0.911 121.098 120.200 -0.021 0.000 2.349 308 E HA 0.362 4.712 4.350 -0.000 0.000 0.265 308 E C 0.564 177.142 176.600 -0.036 0.000 1.064 308 E CA -0.260 56.124 56.400 -0.028 0.000 0.886 308 E CB 1.321 31.015 29.700 -0.011 0.000 1.036 308 E HN 0.666 nan 8.360 nan 0.000 0.413 309 L N 2.293 123.485 121.223 -0.051 0.000 2.013 309 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 309 L C 2.064 178.919 176.870 -0.025 0.000 1.073 309 L CA 1.268 56.071 54.840 -0.062 0.000 0.753 309 L CB -0.234 41.787 42.059 -0.064 0.000 0.890 309 L HN 0.452 nan 8.230 nan 0.000 0.432 310 R N -0.144 120.357 120.500 0.002 0.000 2.280 310 R HA -0.085 4.255 4.340 -0.000 0.000 0.207 310 R C 1.373 177.701 176.300 0.048 0.000 1.043 310 R CA 0.613 56.731 56.100 0.031 0.000 1.006 310 R CB -0.589 29.740 30.300 0.048 0.000 0.885 310 R HN 0.421 nan 8.270 nan 0.000 0.467 311 D N -0.171 120.248 120.400 0.032 0.000 2.310 311 D HA -0.092 4.548 4.640 -0.000 0.000 0.212 311 D C 1.681 178.011 176.300 0.049 0.000 0.965 311 D CA 1.450 55.477 54.000 0.046 0.000 0.879 311 D CB 0.037 40.852 40.800 0.026 0.000 0.921 311 D HN 0.327 nan 8.370 nan 0.000 0.510 312 T N -1.501 113.070 114.554 0.030 0.000 3.035 312 T HA -0.029 4.321 4.350 -0.000 0.000 0.268 312 T C 1.125 175.851 174.700 0.045 0.000 1.109 312 T CA -0.055 62.064 62.100 0.032 0.000 1.119 312 T CB 0.039 68.913 68.868 0.010 0.000 0.900 312 T HN -0.074 nan 8.240 nan 0.000 0.503 313 I N 2.816 123.406 120.570 0.034 0.000 2.494 313 I HA 0.106 4.276 4.170 -0.000 0.000 0.289 313 I C 1.302 177.395 176.117 -0.041 0.000 1.106 313 I CA -0.197 61.087 61.300 -0.027 0.000 1.369 313 I CB 0.733 38.708 38.000 -0.042 0.000 1.410 313 I HN 0.074 nan 8.210 nan 0.000 0.523 314 V N 6.168 126.025 119.914 -0.094 0.000 2.992 314 V HA 0.240 4.360 4.120 -0.000 0.000 0.250 314 V C 0.818 176.735 176.094 -0.295 0.000 1.090 314 V CA 0.915 63.182 62.300 -0.055 0.000 1.101 314 V CB 0.361 32.201 31.823 0.030 0.000 0.743 314 V HN 0.884 nan 8.190 nan 0.000 0.468 315 A N -0.399 122.062 122.820 -0.598 0.000 2.604 315 A HA 0.759 5.079 4.320 -0.000 0.000 0.295 315 A C -0.658 176.485 177.584 -0.735 0.000 1.067 315 A CA -0.387 51.175 52.037 -0.791 0.000 0.683 315 A CB 1.613 20.407 19.000 -0.344 0.000 1.281 315 A HN 0.124 nan 8.150 nan 0.000 0.407 316 E N 1.454 121.253 120.200 -0.669 0.000 3.428 316 E HA 0.252 4.601 4.350 -0.000 0.000 0.286 316 E C -2.790 173.638 176.600 -0.288 0.000 1.204 316 E CA -1.216 54.956 56.400 -0.381 0.000 1.015 316 E CB 1.102 30.644 29.700 -0.263 0.000 1.370 316 E HN 0.573 nan 8.360 nan 0.000 0.391 317 P HA 0.072 nan 4.420 nan 0.000 0.275 317 P C -0.483 176.600 177.300 -0.362 0.000 1.227 317 P CA -0.169 62.580 63.100 -0.585 0.000 0.781 317 P CB 1.155 32.135 31.700 -1.200 0.000 0.906 318 E N 2.137 122.251 120.200 -0.143 0.000 2.259 318 E HA 0.175 4.525 4.350 -0.000 0.000 0.281 318 E C 0.162 176.721 176.600 -0.068 0.000 1.037 318 E CA -0.338 56.015 56.400 -0.079 0.000 0.854 318 E CB 0.401 30.096 29.700 -0.008 0.000 1.051 318 E HN 0.417 nan 8.360 nan 0.000 0.409 319 L N 3.097 124.243 121.223 -0.129 0.000 2.586 319 L HA 0.487 4.827 4.340 -0.000 0.000 0.204 319 L C 1.018 177.849 176.870 -0.065 0.000 1.053 319 L CA 0.340 55.103 54.840 -0.129 0.000 0.856 319 L CB 0.590 42.501 42.059 -0.247 0.000 1.192 319 L HN 0.687 nan 8.230 nan 0.000 0.484 320 G N -0.495 108.275 108.800 -0.050 0.000 2.321 320 G HA2 0.318 4.278 3.960 -0.000 0.000 0.296 320 G HA3 0.318 4.278 3.960 -0.000 0.000 0.296 320 G C -1.907 172.991 174.900 -0.004 0.000 1.287 320 G CA -0.854 44.236 45.100 -0.017 0.000 0.846 320 G HN -0.127 nan 8.290 nan 0.000 0.508 321 L N 1.370 122.602 121.223 0.016 0.000 2.281 321 L HA 0.489 4.829 4.340 -0.000 0.000 0.285 321 L C 1.286 178.194 176.870 0.064 0.000 1.074 321 L CA 0.866 55.725 54.840 0.032 0.000 0.817 321 L CB 0.990 43.072 42.059 0.037 0.000 1.168 321 L HN 1.709 nan 8.230 nan 0.000 0.434 322 G N 3.312 112.147 108.800 0.058 0.000 2.303 322 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.260 322 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.260 322 G C -2.491 172.456 174.900 0.079 0.000 1.106 322 G CA -0.933 44.221 45.100 0.090 0.000 0.900 322 G HN 0.415 nan 8.290 nan 0.000 0.495 323 P HA 0.323 nan 4.420 nan 0.000 0.276 323 P C 1.036 178.338 177.300 0.002 0.000 1.253 323 P CA -0.221 62.894 63.100 0.025 0.000 0.766 323 P CB 1.155 32.845 31.700 -0.016 0.000 0.845 324 L N 2.671 123.904 121.223 0.017 0.000 2.433 324 L HA 0.234 4.574 4.340 -0.000 0.000 0.200 324 L C 1.107 177.760 176.870 -0.362 0.000 1.059 324 L CA 0.599 55.386 54.840 -0.090 0.000 0.835 324 L CB -0.210 41.849 42.059 0.000 0.000 1.076 324 L HN 0.467 nan 8.230 nan 0.000 0.481 325 H N -0.904 118.230 119.070 0.107 0.000 2.928 325 H HA 0.511 5.067 4.556 -0.000 0.000 0.371 325 H C -1.125 174.257 175.328 0.090 0.000 1.186 325 H CA -0.368 55.724 56.048 0.072 0.000 1.134 325 H CB 2.417 32.189 29.762 0.017 0.000 1.824 325 H HN -0.154 nan 8.280 nan 0.000 0.554 326 T N 0.611 115.276 114.554 0.185 0.000 2.906 326 T HA 0.452 4.802 4.350 -0.000 0.000 0.295 326 T C -0.257 174.350 174.700 -0.155 0.000 1.061 326 T CA -0.569 61.552 62.100 0.034 0.000 1.000 326 T CB 2.760 71.645 68.868 0.027 0.000 1.103 326 T HN 0.589 nan 8.240 nan 0.000 0.486 327 T N 0.711 115.032 114.554 -0.388 0.000 2.787 327 T HA 0.798 5.148 4.350 -0.000 0.000 0.297 327 T C -1.949 172.334 174.700 -0.696 0.000 1.221 327 T CA -0.544 61.283 62.100 -0.454 0.000 1.006 327 T CB 0.758 69.553 68.868 -0.121 0.000 1.328 327 T HN 0.379 nan 8.240 nan 0.000 0.509 328 F N 0.838 120.847 119.950 0.098 0.000 2.613 328 F HA 0.440 4.967 4.527 -0.000 0.000 0.314 328 F C 0.625 176.462 175.800 0.062 0.000 1.075 328 F CA -1.051 57.019 58.000 0.116 0.000 0.945 328 F CB 1.368 40.400 39.000 0.054 0.000 1.310 328 F HN 0.560 nan 8.300 nan 0.000 0.467 329 D N -1.284 119.309 120.400 0.322 0.000 2.369 329 D HA 0.246 4.886 4.640 -0.000 0.000 0.211 329 D C 1.558 177.927 176.300 0.116 0.000 1.077 329 D CA 0.377 54.475 54.000 0.164 0.000 0.842 329 D CB 0.362 41.288 40.800 0.209 0.000 0.947 329 D HN 0.894 nan 8.370 nan 0.000 0.509 330 G N 1.101 109.974 108.800 0.122 0.000 2.168 330 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.263 330 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.263 330 G C 1.037 175.950 174.900 0.022 0.000 0.977 330 G CA 0.372 45.494 45.100 0.037 0.000 0.659 330 G HN 0.457 nan 8.290 nan 0.000 0.533 331 R N -0.452 120.078 120.500 0.050 0.000 2.437 331 R HA 0.422 4.762 4.340 -0.000 0.000 0.257 331 R C 1.805 178.116 176.300 0.018 0.000 0.927 331 R CA 0.586 56.705 56.100 0.030 0.000 1.078 331 R CB 0.647 30.973 30.300 0.043 0.000 1.161 331 R HN 1.193 nan 8.270 nan 0.000 0.529 332 G N 1.095 109.905 108.800 0.018 0.000 2.179 332 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.220 332 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.220 332 G C -0.240 174.628 174.900 -0.053 0.000 0.990 332 G CA -0.521 44.575 45.100 -0.006 0.000 0.646 332 G HN 0.233 nan 8.290 nan 0.000 0.517 333 N N 0.642 119.316 118.700 -0.045 0.000 2.430 333 N HA 0.757 5.497 4.740 -0.000 0.000 0.298 333 N C -0.005 175.364 175.510 -0.236 0.000 1.130 333 N CA 0.473 53.395 53.050 -0.213 0.000 0.894 333 N CB 1.925 40.279 38.487 -0.222 0.000 1.209 333 N HN 0.729 nan 8.380 nan 0.000 0.503 334 A N 1.022 123.414 122.820 -0.713 0.000 2.380 334 A HA 0.731 5.051 4.320 -0.000 0.000 0.315 334 A C -1.728 175.414 177.584 -0.736 0.000 1.101 334 A CA -0.518 51.083 52.037 -0.725 0.000 0.771 334 A CB 0.855 19.101 19.000 -1.258 0.000 1.287 334 A HN 0.589 nan 8.150 nan 0.000 0.436 335 Y N 0.250 120.390 120.300 -0.267 0.000 2.338 335 Y HA 0.583 5.133 4.550 -0.000 0.000 0.333 335 Y C 0.303 176.250 175.900 0.078 0.000 0.968 335 Y CA -0.459 57.630 58.100 -0.019 0.000 1.123 335 Y CB 2.482 40.927 38.460 -0.026 0.000 1.165 335 Y HN 0.571 nan 8.280 nan 0.000 0.452 336 T N 1.841 116.593 114.554 0.330 0.000 2.863 336 T HA 0.437 4.787 4.350 -0.000 0.000 0.285 336 T C -0.232 174.591 174.700 0.206 0.000 1.009 336 T CA -0.999 61.262 62.100 0.267 0.000 0.989 336 T CB 1.170 70.207 68.868 0.280 0.000 1.004 336 T HN 0.606 nan 8.240 nan 0.000 0.455 337 T N 1.405 116.072 114.554 0.189 0.000 2.856 337 T HA 0.608 4.958 4.350 -0.000 0.000 0.292 337 T C -0.181 174.608 174.700 0.148 0.000 0.980 337 T CA -0.846 61.359 62.100 0.175 0.000 1.091 337 T CB 0.151 69.145 68.868 0.210 0.000 0.936 337 T HN 0.406 nan 8.240 nan 0.000 0.503 338 L N 4.308 125.607 121.223 0.127 0.000 2.313 338 L HA 0.368 4.708 4.340 -0.000 0.000 0.273 338 L C 0.884 177.833 176.870 0.132 0.000 1.028 338 L CA -0.878 54.029 54.840 0.111 0.000 0.871 338 L CB 0.638 42.739 42.059 0.069 0.000 1.242 338 L HN 0.709 nan 8.230 nan 0.000 0.434 339 F N 3.102 123.070 119.950 0.029 0.000 2.065 339 F HA -0.259 4.268 4.527 -0.000 0.000 0.298 339 F C 1.929 177.757 175.800 0.045 0.000 1.112 339 F CA 2.015 60.032 58.000 0.029 0.000 1.212 339 F CB 0.187 39.182 39.000 -0.008 0.000 0.975 339 F HN 0.391 nan 8.300 nan 0.000 0.476 340 I N -0.172 120.496 120.570 0.164 0.000 2.233 340 I HA -0.250 3.920 4.170 -0.000 0.000 0.243 340 I C 1.737 177.857 176.117 0.004 0.000 1.093 340 I CA 1.451 62.795 61.300 0.073 0.000 1.380 340 I CB -0.630 37.451 38.000 0.135 0.000 1.067 340 I HN 0.036 nan 8.210 nan 0.000 0.413 341 D N 0.637 121.051 120.400 0.024 0.000 2.371 341 D HA -0.084 4.556 4.640 -0.000 0.000 0.221 341 D C 0.939 177.242 176.300 0.005 0.000 0.986 341 D CA 0.631 54.641 54.000 0.016 0.000 0.899 341 D CB -0.047 40.766 40.800 0.022 0.000 0.902 341 D HN 0.174 nan 8.370 nan 0.000 0.530 342 S N 0.376 116.064 115.700 -0.020 0.000 3.667 342 S HA -0.219 4.251 4.470 -0.000 0.000 0.405 342 S C -0.372 174.229 174.600 0.002 0.000 0.913 342 S CA 0.810 58.992 58.200 -0.030 0.000 1.288 342 S CB -1.436 61.764 63.200 -0.001 0.000 0.905 342 S HN 0.554 nan 8.310 nan 0.000 0.550 343 Q N -0.592 119.224 119.800 0.026 0.000 2.633 343 Q HA 0.717 5.057 4.340 -0.000 0.000 0.289 343 Q C -1.317 174.730 176.000 0.078 0.000 0.940 343 Q CA -1.312 54.517 55.803 0.043 0.000 0.785 343 Q CB 1.444 30.204 28.738 0.037 0.000 1.467 343 Q HN 0.184 nan 8.270 nan 0.000 0.401 344 V N 0.743 120.716 119.914 0.098 0.000 2.472 344 V HA 0.479 4.599 4.120 -0.000 0.000 0.290 344 V C -0.565 175.619 176.094 0.150 0.000 1.037 344 V CA -0.654 61.733 62.300 0.145 0.000 0.908 344 V CB 1.473 33.402 31.823 0.177 0.000 0.985 344 V HN 0.915 nan 8.190 nan 0.000 0.454 345 C N 6.215 125.618 119.300 0.172 0.000 2.322 345 C HA 0.565 5.025 4.460 -0.000 0.000 0.324 345 C C -0.010 175.101 174.990 0.201 0.000 1.284 345 C CA -0.949 58.168 59.018 0.166 0.000 1.606 345 C CB 0.317 28.138 27.740 0.135 0.000 2.251 345 C HN 0.990 nan 8.230 nan 0.000 0.502 346 K N 7.188 127.633 120.400 0.075 0.000 2.281 346 K HA 0.499 4.819 4.320 -0.000 0.000 0.272 346 K C -0.683 175.916 176.600 -0.002 0.000 1.048 346 K CA -0.368 55.792 56.287 -0.212 0.000 0.898 346 K CB 0.538 32.849 32.500 -0.314 0.000 1.128 346 K HN 0.876 nan 8.250 nan 0.000 0.460 347 W N 3.092 124.259 121.300 -0.222 0.000 2.882 347 W HA 0.383 5.043 4.660 -0.000 0.000 0.345 347 W C -1.130 175.351 176.519 -0.064 0.000 1.125 347 W CA -1.213 56.092 57.345 -0.067 0.000 1.167 347 W CB 0.110 29.599 29.460 0.049 0.000 1.431 347 W HN 0.415 nan 8.180 nan 0.000 0.543 348 N N 1.640 120.415 118.700 0.125 0.000 2.455 348 N HA 0.199 4.939 4.740 -0.000 0.000 0.280 348 N C 0.807 176.339 175.510 0.038 0.000 1.055 348 N CA -0.237 52.807 53.050 -0.010 0.000 0.961 348 N CB 1.317 39.843 38.487 0.065 0.000 1.121 348 N HN 0.489 nan 8.380 nan 0.000 0.476 349 I N 2.893 123.365 120.570 -0.162 0.000 2.286 349 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 349 I C 2.354 178.478 176.117 0.012 0.000 1.104 349 I CA 0.841 62.066 61.300 -0.125 0.000 1.397 349 I CB -0.237 37.625 38.000 -0.230 0.000 1.072 349 I HN 0.604 nan 8.210 nan 0.000 0.417 350 A N 0.821 123.662 122.820 0.035 0.000 1.902 350 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 350 A C 1.930 179.577 177.584 0.105 0.000 1.181 350 A CA 2.165 54.244 52.037 0.070 0.000 0.623 350 A CB -0.614 18.426 19.000 0.067 0.000 0.818 350 A HN 0.336 nan 8.150 nan 0.000 0.443 351 D N -0.036 120.448 120.400 0.140 0.000 2.178 351 D HA -0.001 4.639 4.640 -0.000 0.000 0.202 351 D C 2.114 178.563 176.300 0.249 0.000 0.974 351 D CA 1.344 55.468 54.000 0.206 0.000 0.841 351 D CB -0.350 40.596 40.800 0.243 0.000 0.953 351 D HN 0.444 nan 8.370 nan 0.000 0.478 352 A N 0.404 123.327 122.820 0.171 0.000 1.969 352 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 352 A C 2.291 179.894 177.584 0.033 0.000 1.169 352 A CA 0.599 52.599 52.037 -0.062 0.000 0.635 352 A CB -0.503 18.446 19.000 -0.084 0.000 0.810 352 A HN 0.178 nan 8.150 nan 0.000 0.445 353 I N -0.344 120.269 120.570 0.073 0.000 2.163 353 I HA -0.275 3.895 4.170 -0.000 0.000 0.240 353 I C 2.430 178.649 176.117 0.169 0.000 1.081 353 I CA 1.615 62.974 61.300 0.099 0.000 1.353 353 I CB -0.355 37.691 38.000 0.077 0.000 1.054 353 I HN 0.272 nan 8.210 nan 0.000 0.407 354 K N -0.243 120.251 120.400 0.156 0.000 2.032 354 K HA -0.251 4.069 4.320 -0.000 0.000 0.209 354 K C 2.302 179.005 176.600 0.173 0.000 1.048 354 K CA 1.476 57.850 56.287 0.145 0.000 0.927 354 K CB -0.520 32.059 32.500 0.132 0.000 0.712 354 K HN 0.374 nan 8.250 nan 0.000 0.441 355 H N 0.065 119.223 119.070 0.146 0.000 2.387 355 H HA -0.190 4.366 4.556 -0.000 0.000 0.299 355 H C 1.917 177.333 175.328 0.146 0.000 1.099 355 H CA 1.699 57.849 56.048 0.170 0.000 1.315 355 H CB -0.116 29.827 29.762 0.301 0.000 1.380 355 H HN 0.256 nan 8.280 nan 0.000 0.513 356 Y N 1.798 122.203 120.300 0.175 0.000 2.352 356 Y HA -0.115 4.435 4.550 -0.000 0.000 0.292 356 Y C 1.860 177.783 175.900 0.038 0.000 1.136 356 Y CA 1.328 59.484 58.100 0.094 0.000 1.227 356 Y CB -0.205 38.272 38.460 0.027 0.000 0.991 356 Y HN 0.193 nan 8.280 nan 0.000 0.545 357 N N -0.335 118.390 118.700 0.042 0.000 2.515 357 N HA 0.064 4.804 4.740 -0.000 0.000 0.185 357 N C 1.469 176.926 175.510 -0.087 0.000 1.109 357 N CA 1.216 54.237 53.050 -0.049 0.000 0.903 357 N CB 0.267 38.770 38.487 0.027 0.000 0.969 357 N HN 0.536 nan 8.380 nan 0.000 0.450 358 G N -0.245 108.494 108.800 -0.101 0.000 2.260 358 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.179 358 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.179 358 G C 0.022 174.846 174.900 -0.126 0.000 1.002 358 G CA -0.284 44.743 45.100 -0.123 0.000 0.677 358 G HN 0.220 nan 8.290 nan 0.000 0.486 359 D N -0.093 120.250 120.400 -0.094 0.000 2.273 359 D HA 0.372 5.012 4.640 -0.000 0.000 0.247 359 D C 1.531 177.746 176.300 -0.142 0.000 1.313 359 D CA 0.223 54.184 54.000 -0.065 0.000 0.974 359 D CB 0.298 41.108 40.800 0.016 0.000 1.157 359 D HN 0.383 nan 8.370 nan 0.000 0.533 360 R N -0.762 119.709 120.500 -0.049 0.000 2.531 360 R HA 0.203 4.543 4.340 -0.000 0.000 0.316 360 R C -0.075 176.277 176.300 0.087 0.000 0.955 360 R CA -0.239 55.842 56.100 -0.031 0.000 1.120 360 R CB 0.586 30.876 30.300 -0.017 0.000 1.361 360 R HN 0.072 nan 8.270 nan 0.000 0.534 361 V N 2.202 122.191 119.914 0.125 0.000 2.901 361 V HA -0.094 4.026 4.120 -0.000 0.000 0.307 361 V C 0.420 176.639 176.094 0.209 0.000 1.084 361 V CA 0.296 62.687 62.300 0.151 0.000 1.184 361 V CB 0.362 32.278 31.823 0.154 0.000 0.941 361 V HN 0.294 nan 8.190 nan 0.000 0.493 362 N N 1.981 120.737 118.700 0.093 0.000 2.414 362 N HA 0.281 5.021 4.740 -0.000 0.000 0.256 362 N C 0.261 175.777 175.510 0.009 0.000 1.029 362 N CA -0.412 52.614 53.050 -0.039 0.000 0.948 362 N CB 0.703 39.151 38.487 -0.065 0.000 1.102 362 N HN 0.811 nan 8.380 nan 0.000 0.496 363 Y N 1.633 121.969 120.300 0.059 0.000 2.448 363 Y HA 0.334 4.884 4.550 -0.000 0.000 0.289 363 Y C 0.451 176.422 175.900 0.119 0.000 1.114 363 Y CA -0.356 57.802 58.100 0.096 0.000 1.235 363 Y CB -0.003 38.523 38.460 0.109 0.000 1.045 363 Y HN 0.285 nan 8.280 nan 0.000 0.554 364 I N 2.857 123.392 120.570 -0.059 0.000 2.452 364 I HA 0.114 4.284 4.170 -0.000 0.000 0.287 364 I C 0.788 176.919 176.117 0.024 0.000 1.079 364 I CA -0.136 61.193 61.300 0.048 0.000 1.387 364 I CB 1.011 38.957 38.000 -0.089 0.000 1.404 364 I HN 0.222 nan 8.210 nan 0.000 0.522 365 R N 3.966 124.500 120.500 0.057 0.000 2.146 365 R HA 0.214 4.554 4.340 -0.000 0.000 0.206 365 R C 0.305 176.615 176.300 0.017 0.000 1.049 365 R CA 0.508 56.621 56.100 0.022 0.000 1.029 365 R CB 0.135 30.438 30.300 0.005 0.000 0.949 365 R HN 0.691 nan 8.270 nan 0.000 0.471 366 Q N -0.130 119.685 119.800 0.026 0.000 2.594 366 Q HA 0.283 4.623 4.340 -0.000 0.000 0.278 366 Q C -1.735 174.296 176.000 0.050 0.000 0.961 366 Q CA -0.487 55.336 55.803 0.034 0.000 0.844 366 Q CB 1.966 30.730 28.738 0.044 0.000 1.475 366 Q HN -0.137 nan 8.270 nan 0.000 0.389 367 K N 2.898 123.326 120.400 0.046 0.000 2.502 367 K HA 0.480 4.800 4.320 -0.000 0.000 0.254 367 K C -1.332 175.300 176.600 0.053 0.000 0.947 367 K CA -0.510 55.809 56.287 0.053 0.000 0.834 367 K CB 1.736 34.256 32.500 0.034 0.000 1.112 367 K HN 0.533 nan 8.250 nan 0.000 0.427 368 L N 3.174 124.439 121.223 0.069 0.000 2.287 368 L HA 0.288 4.628 4.340 -0.000 0.000 0.287 368 L C -0.609 176.286 176.870 0.041 0.000 1.022 368 L CA -0.755 54.120 54.840 0.058 0.000 0.814 368 L CB 1.173 43.279 42.059 0.079 0.000 1.217 368 L HN 0.567 nan 8.230 nan 0.000 0.420 369 D N 3.588 124.000 120.400 0.020 0.000 2.450 369 D HA 0.110 4.750 4.640 -0.000 0.000 0.247 369 D C -0.289 175.996 176.300 -0.025 0.000 1.162 369 D CA 0.325 54.324 54.000 -0.002 0.000 0.879 369 D CB 1.574 42.367 40.800 -0.012 0.000 1.163 369 D HN 0.093 nan 8.370 nan 0.000 0.472 370 V N 3.224 123.117 119.914 -0.035 0.000 2.630 370 V HA 0.083 4.203 4.120 -0.000 0.000 0.305 370 V C 0.200 176.188 176.094 -0.176 0.000 1.046 370 V CA -0.802 61.461 62.300 -0.063 0.000 0.934 370 V CB 1.894 33.714 31.823 -0.004 0.000 1.003 370 V HN 0.321 nan 8.190 nan 0.000 0.451 371 Q N 4.473 124.098 119.800 -0.293 0.000 2.513 371 Q HA 0.350 4.690 4.340 -0.000 0.000 0.227 371 Q C -1.387 174.242 176.000 -0.618 0.000 1.257 371 Q CA 0.161 55.534 55.803 -0.716 0.000 0.915 371 Q CB -0.864 27.442 28.738 -0.720 0.000 1.507 371 Q HN 0.545 nan 8.270 nan 0.000 0.543 372 Y N -0.227 120.081 120.300 0.012 0.000 2.788 372 Y HA -0.205 4.345 4.550 -0.000 0.000 0.050 372 Y C -0.176 175.715 175.900 -0.014 0.000 1.997 372 Y CA -0.250 57.873 58.100 0.039 0.000 1.194 372 Y CB -2.372 36.163 38.460 0.126 0.000 1.860 372 Y HN 0.587 nan 8.280 nan 0.000 0.294 373 Q N -1.523 118.251 119.800 -0.042 0.000 2.398 373 Q HA -0.148 4.192 4.340 -0.000 0.000 0.355 373 Q C -2.614 173.279 176.000 -0.178 0.000 1.334 373 Q CA 1.022 56.550 55.803 -0.459 0.000 0.993 373 Q CB -0.616 27.609 28.738 -0.856 0.000 1.112 373 Q HN 0.403 nan 8.270 nan 0.000 0.305 374 P HA 0.238 nan 4.420 nan 0.000 0.276 374 P C 0.584 178.049 177.300 0.275 0.000 1.235 374 P CA 0.243 63.417 63.100 0.124 0.000 0.772 374 P CB 1.397 33.167 31.700 0.116 0.000 0.871 375 G N 2.342 111.289 108.800 0.245 0.000 2.766 375 G HA2 0.079 4.039 3.960 -0.000 0.000 0.206 375 G HA3 0.079 4.039 3.960 -0.000 0.000 0.206 375 G C -0.005 175.074 174.900 0.299 0.000 2.072 375 G CA 0.153 45.428 45.100 0.292 0.000 0.798 375 G HN 0.482 nan 8.290 nan 0.000 0.703 376 H N 0.348 119.496 119.070 0.130 0.000 2.679 376 H HA 0.262 4.818 4.556 -0.000 0.000 0.369 376 H C -0.603 174.760 175.328 0.058 0.000 1.178 376 H CA 0.423 56.429 56.048 -0.070 0.000 1.419 376 H CB 1.317 30.964 29.762 -0.193 0.000 1.458 376 H HN 0.234 nan 8.280 nan 0.000 0.605 377 N N 0.178 119.005 118.700 0.211 0.000 2.225 377 N HA 0.176 4.916 4.740 -0.000 0.000 0.298 377 N C -1.832 173.796 175.510 0.197 0.000 1.076 377 N CA -0.501 52.659 53.050 0.183 0.000 0.792 377 N CB 1.451 40.052 38.487 0.189 0.000 1.498 377 N HN 0.609 nan 8.380 nan 0.000 0.474 378 H N 0.600 119.684 119.070 0.024 0.000 3.083 378 H HA 0.682 5.238 4.556 -0.000 0.000 0.339 378 H C -1.529 173.798 175.328 -0.002 0.000 1.020 378 H CA -0.551 55.504 56.048 0.011 0.000 1.360 378 H CB 1.068 30.796 29.762 -0.057 0.000 1.811 378 H HN 0.631 nan 8.280 nan 0.000 0.493 379 A N 3.062 125.656 122.820 -0.375 0.000 2.324 379 A HA 0.517 4.837 4.320 -0.000 0.000 0.330 379 A C -0.157 177.301 177.584 -0.210 0.000 1.165 379 A CA -0.316 51.585 52.037 -0.226 0.000 0.813 379 A CB 0.476 19.353 19.000 -0.204 0.000 1.197 379 A HN 0.869 nan 8.150 nan 0.000 0.484 380 S N 1.766 117.452 115.700 -0.023 0.000 2.546 380 S HA 0.292 4.762 4.470 -0.000 0.000 0.290 380 S C 0.573 175.268 174.600 0.159 0.000 1.262 380 S CA 0.297 58.546 58.200 0.082 0.000 1.083 380 S CB -0.483 62.684 63.200 -0.056 0.000 0.859 380 S HN 1.325 nan 8.310 nan 0.000 0.495 381 L N 0.061 121.470 121.223 0.310 0.000 4.291 381 L HA -0.233 4.107 4.340 -0.000 0.000 0.413 381 L C 1.870 178.836 176.870 0.161 0.000 1.162 381 L CA 0.795 55.785 54.840 0.250 0.000 0.961 381 L CB -2.775 39.360 42.059 0.126 0.000 2.095 381 L HN 0.880 nan 8.230 nan 0.000 0.838 382 T N -0.493 114.149 114.554 0.146 0.000 2.929 382 T HA -0.124 4.226 4.350 -0.000 0.000 0.271 382 T C 1.370 176.244 174.700 0.289 0.000 1.085 382 T CA 2.008 64.206 62.100 0.162 0.000 1.125 382 T CB -0.063 68.835 68.868 0.051 0.000 0.874 382 T HN 0.579 nan 8.240 nan 0.000 0.494 383 E N 1.130 121.573 120.200 0.405 0.000 2.489 383 E HA 0.114 4.464 4.350 -0.000 0.000 0.193 383 E C 0.717 177.558 176.600 0.401 0.000 1.057 383 E CA -0.120 56.557 56.400 0.461 0.000 0.866 383 E CB 0.335 30.374 29.700 0.564 0.000 0.916 383 E HN 0.540 nan 8.360 nan 0.000 0.500 384 S N -0.633 115.191 115.700 0.207 0.000 2.715 384 S HA 0.396 4.866 4.470 -0.000 0.000 0.307 384 S C 0.673 175.354 174.600 0.135 0.000 1.119 384 S CA -0.924 57.328 58.200 0.087 0.000 0.937 384 S CB 1.917 64.862 63.200 -0.426 0.000 1.150 384 S HN -0.054 nan 8.310 nan 0.000 0.521 385 R N 0.141 120.724 120.500 0.137 0.000 2.189 385 R HA 0.024 4.364 4.340 -0.000 0.000 0.223 385 R C -0.082 176.198 176.300 -0.033 0.000 1.092 385 R CA 1.211 57.319 56.100 0.013 0.000 0.989 385 R CB -0.354 29.961 30.300 0.025 0.000 0.876 385 R HN 0.611 nan 8.270 nan 0.000 0.457 386 D N 0.983 121.358 120.400 -0.043 0.000 2.434 386 D HA 0.085 4.725 4.640 -0.000 0.000 0.232 386 D C -0.295 175.998 176.300 -0.012 0.000 1.166 386 D CA 0.068 54.046 54.000 -0.037 0.000 0.830 386 D CB 0.183 40.955 40.800 -0.047 0.000 0.960 386 D HN 0.133 nan 8.370 nan 0.000 0.497 387 A N 1.709 124.529 122.820 0.001 0.000 2.524 387 A HA -0.027 4.293 4.320 -0.000 0.000 0.271 387 A C 1.079 178.687 177.584 0.041 0.000 1.097 387 A CA -0.077 51.984 52.037 0.040 0.000 0.791 387 A CB -0.037 18.999 19.000 0.060 0.000 1.028 387 A HN 0.131 nan 8.150 nan 0.000 0.518 388 D N 2.266 122.705 120.400 0.066 0.000 2.347 388 D HA 0.201 4.840 4.640 -0.000 0.000 0.213 388 D C 1.130 177.444 176.300 0.023 0.000 0.985 388 D CA 0.649 54.683 54.000 0.057 0.000 0.879 388 D CB -0.326 40.541 40.800 0.111 0.000 0.919 388 D HN 1.178 nan 8.370 nan 0.000 0.526 389 G N 0.636 109.443 108.800 0.011 0.000 2.356 389 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.296 389 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.296 389 G C 0.952 175.789 174.900 -0.104 0.000 1.022 389 G CA 0.702 45.781 45.100 -0.034 0.000 0.961 389 G HN 0.295 nan 8.290 nan 0.000 0.510 390 K N -1.777 118.534 120.400 -0.149 0.000 2.306 390 K HA 0.165 4.485 4.320 -0.000 0.000 0.200 390 K C 0.770 177.030 176.600 -0.567 0.000 1.083 390 K CA 0.616 56.679 56.287 -0.372 0.000 0.959 390 K CB 0.399 32.671 32.500 -0.381 0.000 0.994 390 K HN 0.563 nan 8.250 nan 0.000 0.492 391 W N 0.818 122.039 121.300 -0.132 0.000 2.761 391 W HA 0.493 5.153 4.660 -0.000 0.000 0.340 391 W C -0.792 175.630 176.519 -0.162 0.000 1.072 391 W CA -1.079 56.174 57.345 -0.153 0.000 1.215 391 W CB 1.255 30.578 29.460 -0.228 0.000 1.420 391 W HN -0.210 nan 8.180 nan 0.000 0.519 392 L N 3.426 124.779 121.223 0.215 0.000 2.410 392 L HA 0.738 5.078 4.340 -0.000 0.000 0.270 392 L C -1.345 175.593 176.870 0.112 0.000 0.983 392 L CA -0.841 54.026 54.840 0.044 0.000 0.822 392 L CB 1.733 43.731 42.059 -0.101 0.000 1.285 392 L HN 0.193 nan 8.230 nan 0.000 0.409 393 V N 5.548 125.526 119.914 0.107 0.000 2.448 393 V HA 0.595 4.715 4.120 -0.000 0.000 0.295 393 V C -0.551 175.610 176.094 0.111 0.000 1.025 393 V CA -0.687 61.688 62.300 0.126 0.000 0.859 393 V CB 1.830 33.724 31.823 0.118 0.000 0.988 393 V HN 0.515 nan 8.190 nan 0.000 0.431 394 V N 6.404 126.393 119.914 0.124 0.000 2.409 394 V HA 0.463 4.583 4.120 -0.000 0.000 0.291 394 V C -0.547 175.624 176.094 0.128 0.000 1.020 394 V CA -0.537 61.836 62.300 0.121 0.000 0.848 394 V CB 1.573 33.463 31.823 0.113 0.000 0.990 394 V HN 0.650 nan 8.190 nan 0.000 0.430 395 L N 4.491 125.785 121.223 0.118 0.000 2.272 395 L HA 0.480 4.819 4.340 -0.000 0.000 0.284 395 L C 0.579 177.513 176.870 0.106 0.000 1.045 395 L CA 0.606 55.515 54.840 0.116 0.000 0.842 395 L CB 1.085 43.182 42.059 0.062 0.000 1.224 395 L HN 0.558 nan 8.230 nan 0.000 0.430 396 S N 1.824 117.583 115.700 0.100 0.000 2.632 396 S HA 0.383 4.853 4.470 -0.000 0.000 0.271 396 S C 1.055 175.673 174.600 0.029 0.000 1.260 396 S CA -0.725 57.517 58.200 0.070 0.000 1.010 396 S CB 1.165 64.407 63.200 0.070 0.000 0.965 396 S HN 0.431 nan 8.310 nan 0.000 0.534 397 K N 0.425 120.783 120.400 -0.070 0.000 2.367 397 K HA 0.259 4.579 4.320 -0.000 0.000 0.194 397 K C -0.696 175.724 176.600 -0.300 0.000 1.027 397 K CA 0.500 56.646 56.287 -0.235 0.000 1.075 397 K CB 0.050 32.328 32.500 -0.369 0.000 0.845 397 K HN 0.395 nan 8.250 nan 0.000 0.529 398 F N -0.068 119.950 119.950 0.113 0.000 2.576 398 F HA 0.187 4.714 4.527 -0.000 0.000 0.313 398 F C 1.204 177.147 175.800 0.238 0.000 1.078 398 F CA -1.234 56.830 58.000 0.105 0.000 0.921 398 F CB 1.982 41.001 39.000 0.031 0.000 1.232 398 F HN -0.158 nan 8.300 nan 0.000 0.459 399 S N -0.295 115.681 115.700 0.460 0.000 2.589 399 S HA 0.225 4.695 4.470 -0.000 0.000 0.235 399 S C 0.888 175.744 174.600 0.427 0.000 1.051 399 S CA 0.046 58.532 58.200 0.476 0.000 0.978 399 S CB 0.093 63.623 63.200 0.550 0.000 0.929 399 S HN 0.659 nan 8.310 nan 0.000 0.523 400 K N 1.767 122.316 120.400 0.247 0.000 2.026 400 K HA -0.296 4.023 4.320 -0.000 0.000 0.145 400 K C 0.525 177.244 176.600 0.198 0.000 0.872 400 K CA 2.313 58.651 56.287 0.085 0.000 0.349 400 K CB -1.536 30.751 32.500 -0.356 0.000 0.715 400 K HN 0.608 nan 8.250 nan 0.000 0.815 401 D N 0.857 121.324 120.400 0.111 0.000 2.340 401 D HA -0.027 4.613 4.640 -0.000 0.000 0.220 401 D C 1.276 177.582 176.300 0.010 0.000 1.039 401 D CA 0.461 54.507 54.000 0.075 0.000 0.866 401 D CB 0.019 40.848 40.800 0.047 0.000 0.913 401 D HN 0.212 nan 8.370 nan 0.000 0.523 402 R N -0.448 120.017 120.500 -0.058 0.000 2.148 402 R HA 0.080 4.420 4.340 -0.000 0.000 0.227 402 R C -0.050 175.751 176.300 -0.831 0.000 1.103 402 R CA 0.645 56.445 56.100 -0.501 0.000 0.983 402 R CB -0.149 29.695 30.300 -0.760 0.000 0.874 402 R HN 0.258 nan 8.270 nan 0.000 0.451 403 F N -1.108 118.888 119.950 0.076 0.000 2.675 403 F HA 0.374 4.901 4.527 -0.000 0.000 0.324 403 F C 0.388 176.201 175.800 0.022 0.000 1.106 403 F CA -1.261 56.761 58.000 0.037 0.000 0.970 403 F CB 0.439 39.462 39.000 0.037 0.000 1.385 403 F HN -0.339 nan 8.300 nan 0.000 0.489 404 L N 3.651 125.004 121.223 0.217 0.000 2.514 404 L HA 0.136 4.476 4.340 -0.000 0.000 0.280 404 L C -1.885 175.024 176.870 0.066 0.000 1.223 404 L CA -1.454 53.446 54.840 0.100 0.000 0.864 404 L CB 0.028 42.129 42.059 0.070 0.000 1.118 404 L HN 0.302 nan 8.230 nan 0.000 0.494 405 P HA 0.006 nan 4.420 nan 0.000 0.268 405 P C -0.101 177.165 177.300 -0.057 0.000 1.204 405 P CA -0.023 63.043 63.100 -0.056 0.000 0.768 405 P CB 1.106 32.777 31.700 -0.048 0.000 0.842 406 V N -1.158 118.692 119.914 -0.106 0.000 3.172 406 V HA 0.635 4.755 4.120 -0.000 0.000 0.343 406 V C 0.350 176.411 176.094 -0.057 0.000 1.429 406 V CA 0.185 62.450 62.300 -0.057 0.000 1.149 406 V CB -0.156 31.653 31.823 -0.022 0.000 1.106 406 V HN 0.973 nan 8.190 nan 0.000 0.526 407 G N 0.956 109.703 108.800 -0.089 0.000 2.462 407 G HA2 0.006 3.966 3.960 -0.000 0.000 0.685 407 G HA3 0.006 3.966 3.960 -0.000 0.000 0.685 407 G C -1.873 173.004 174.900 -0.039 0.000 1.295 407 G CA -0.134 44.942 45.100 -0.040 0.000 0.941 407 G HN 0.203 nan 8.290 nan 0.000 0.554 408 P HA 0.002 nan 4.420 nan 0.000 0.216 408 P C 1.248 178.695 177.300 0.245 0.000 1.150 408 P CA 0.631 63.809 63.100 0.129 0.000 0.843 408 P CB 0.178 31.935 31.700 0.095 0.000 0.787 409 L N 0.679 122.005 121.223 0.172 0.000 2.315 409 L HA 0.116 4.456 4.340 -0.000 0.000 0.283 409 L C 0.264 177.276 176.870 0.236 0.000 1.089 409 L CA -0.068 54.897 54.840 0.208 0.000 0.833 409 L CB 0.055 42.199 42.059 0.142 0.000 1.170 409 L HN 0.170 nan 8.230 nan 0.000 0.442 410 H N 4.969 124.100 119.070 0.102 0.000 2.525 410 H HA 0.473 5.029 4.556 -0.000 0.000 0.340 410 H C -2.126 173.274 175.328 0.120 0.000 1.168 410 H CA -1.879 54.245 56.048 0.127 0.000 1.247 410 H CB 1.716 31.573 29.762 0.159 0.000 1.568 410 H HN 0.503 nan 8.280 nan 0.000 0.536 411 P HA 0.084 nan 4.420 nan 0.000 0.279 411 P C -0.353 177.065 177.300 0.197 0.000 1.276 411 P CA -0.541 62.650 63.100 0.151 0.000 0.801 411 P CB 1.456 33.176 31.700 0.034 0.000 1.127 412 E N 0.249 120.523 120.200 0.124 0.000 2.359 412 E HA 0.293 4.643 4.350 -0.000 0.000 0.255 412 E C -0.214 176.528 176.600 0.236 0.000 1.191 412 E CA -0.402 56.090 56.400 0.155 0.000 0.952 412 E CB 0.134 29.883 29.700 0.082 0.000 1.152 412 E HN 0.375 nan 8.360 nan 0.000 0.496 413 N N 1.086 119.936 118.700 0.250 0.000 2.549 413 N HA 0.137 4.877 4.740 -0.000 0.000 0.281 413 N C -1.926 173.714 175.510 0.216 0.000 1.084 413 N CA -0.345 52.892 53.050 0.311 0.000 0.862 413 N CB 0.693 39.375 38.487 0.326 0.000 1.333 413 N HN 0.102 nan 8.380 nan 0.000 0.523 414 D N 2.347 122.887 120.400 0.234 0.000 2.392 414 D HA 0.210 4.850 4.640 -0.000 0.000 0.228 414 D C -0.310 176.128 176.300 0.230 0.000 1.074 414 D CA -0.057 54.096 54.000 0.254 0.000 0.838 414 D CB 1.294 42.341 40.800 0.411 0.000 1.067 414 D HN 0.479 nan 8.370 nan 0.000 0.511 415 Q N 1.277 121.183 119.800 0.176 0.000 2.290 415 Q HA 0.390 4.730 4.340 -0.000 0.000 0.259 415 Q C -0.430 175.660 176.000 0.149 0.000 0.941 415 Q CA -0.992 54.898 55.803 0.144 0.000 0.912 415 Q CB 2.379 31.166 28.738 0.081 0.000 1.244 415 Q HN 0.292 nan 8.270 nan 0.000 0.441 416 L N 4.207 125.518 121.223 0.146 0.000 2.290 416 L HA 0.406 4.746 4.340 -0.000 0.000 0.284 416 L C -1.161 175.792 176.870 0.139 0.000 1.078 416 L CA 0.293 55.182 54.840 0.082 0.000 0.815 416 L CB 0.479 42.489 42.059 -0.081 0.000 1.162 416 L HN 0.551 nan 8.230 nan 0.000 0.435 417 I N 4.389 125.083 120.570 0.208 0.000 2.465 417 I HA 0.267 4.437 4.170 -0.000 0.000 0.291 417 I C -0.600 175.745 176.117 0.380 0.000 1.014 417 I CA -0.765 60.681 61.300 0.243 0.000 1.093 417 I CB 1.845 39.934 38.000 0.149 0.000 1.267 417 I HN 0.516 nan 8.210 nan 0.000 0.431 418 D N 7.212 127.808 120.400 0.327 0.000 2.317 418 D HA 0.226 4.866 4.640 -0.000 0.000 0.252 418 D C 0.453 176.746 176.300 -0.012 0.000 1.174 418 D CA 0.008 54.066 54.000 0.096 0.000 0.866 418 D CB 1.106 41.925 40.800 0.031 0.000 1.127 418 D HN 0.574 nan 8.370 nan 0.000 0.467 419 I N 0.899 121.398 120.570 -0.118 0.000 4.050 419 I HA 0.091 4.261 4.170 -0.000 0.000 0.327 419 I C 1.447 177.510 176.117 -0.090 0.000 1.473 419 I CA -0.466 60.789 61.300 -0.075 0.000 1.124 419 I CB 0.265 38.156 38.000 -0.183 0.000 1.129 419 I HN 0.134 nan 8.210 nan 0.000 0.428 420 S N 0.881 116.473 115.700 -0.180 0.000 2.447 420 S HA 0.119 4.589 4.470 -0.000 0.000 0.233 420 S C 1.185 175.743 174.600 -0.071 0.000 1.006 420 S CA 0.553 58.661 58.200 -0.155 0.000 0.957 420 S CB -0.663 62.395 63.200 -0.236 0.000 0.773 420 S HN 0.581 nan 8.310 nan 0.000 0.507 421 G N 0.289 109.062 108.800 -0.046 0.000 2.642 421 G HA2 0.443 4.403 3.960 -0.000 0.000 0.291 421 G HA3 0.443 4.403 3.960 -0.000 0.000 0.291 421 G C 0.110 175.025 174.900 0.026 0.000 1.345 421 G CA -0.395 44.699 45.100 -0.010 0.000 1.043 421 G HN 0.262 nan 8.290 nan 0.000 0.528 422 E N -1.107 119.110 120.200 0.028 0.000 2.358 422 E HA -0.009 4.340 4.350 -0.000 0.000 0.195 422 E C 0.358 176.989 176.600 0.052 0.000 1.010 422 E CA 0.394 56.817 56.400 0.038 0.000 0.856 422 E CB 0.166 29.881 29.700 0.026 0.000 0.795 422 E HN 0.453 nan 8.360 nan 0.000 0.504 423 E N 0.538 120.769 120.200 0.052 0.000 2.187 423 E HA 0.233 4.583 4.350 -0.000 0.000 0.268 423 E C -0.784 175.864 176.600 0.081 0.000 0.896 423 E CA -0.581 55.856 56.400 0.062 0.000 0.766 423 E CB 1.296 31.023 29.700 0.046 0.000 1.142 423 E HN 0.085 nan 8.360 nan 0.000 0.408 424 M N 3.131 122.797 119.600 0.110 0.000 2.228 424 M HA 0.199 4.679 4.480 -0.000 0.000 0.351 424 M C -0.326 176.030 176.300 0.094 0.000 1.233 424 M CA 0.752 56.128 55.300 0.127 0.000 1.129 424 M CB 0.524 33.226 32.600 0.170 0.000 1.604 424 M HN 0.123 nan 8.290 nan 0.000 0.457 425 K N 3.137 123.595 120.400 0.095 0.000 2.578 425 K HA 0.385 4.705 4.320 -0.000 0.000 0.250 425 K C -1.394 175.276 176.600 0.117 0.000 0.955 425 K CA -0.917 55.425 56.287 0.092 0.000 0.825 425 K CB 2.207 34.755 32.500 0.081 0.000 1.151 425 K HN 0.441 nan 8.250 nan 0.000 0.432 426 L N 3.671 124.952 121.223 0.097 0.000 2.453 426 L HA 0.045 4.385 4.340 -0.000 0.000 0.272 426 L C 0.213 177.153 176.870 0.118 0.000 1.182 426 L CA 0.752 55.651 54.840 0.098 0.000 0.858 426 L CB 0.995 43.087 42.059 0.056 0.000 1.120 426 L HN 0.616 nan 8.230 nan 0.000 0.474 427 V N 3.851 123.852 119.914 0.145 0.000 3.371 427 V HA 0.251 4.371 4.120 -0.000 0.000 0.246 427 V C 0.176 176.380 176.094 0.182 0.000 1.303 427 V CA 0.088 62.485 62.300 0.162 0.000 1.156 427 V CB -0.122 31.821 31.823 0.202 0.000 0.929 427 V HN 0.874 nan 8.190 nan 0.000 0.459 428 H N 0.229 119.318 119.070 0.032 0.000 2.974 428 H HA 0.432 4.988 4.556 -0.000 0.000 0.366 428 H C -1.905 173.454 175.328 0.051 0.000 1.155 428 H CA -0.386 55.677 56.048 0.025 0.000 1.186 428 H CB 2.555 32.299 29.762 -0.029 0.000 1.799 428 H HN 0.135 nan 8.280 nan 0.000 0.541 429 D N 2.298 122.400 120.400 -0.496 0.000 2.460 429 D HA 0.294 4.934 4.640 -0.000 0.000 0.232 429 D C -0.048 176.148 176.300 -0.172 0.000 1.079 429 D CA -0.084 53.811 54.000 -0.175 0.000 0.864 429 D CB 1.252 41.985 40.800 -0.112 0.000 1.048 429 D HN 0.636 nan 8.370 nan 0.000 0.523 430 G N 3.223 112.084 108.800 0.102 0.000 2.404 430 G HA2 0.413 4.373 3.960 -0.000 0.000 0.316 430 G HA3 0.413 4.373 3.960 -0.000 0.000 0.316 430 G C -2.483 172.434 174.900 0.028 0.000 1.074 430 G CA -1.289 43.898 45.100 0.145 0.000 0.989 430 G HN 0.173 nan 8.290 nan 0.000 0.430 431 P HA 0.259 nan 4.420 nan 0.000 0.271 431 P C -0.355 176.803 177.300 -0.237 0.000 1.216 431 P CA 0.091 62.828 63.100 -0.605 0.000 0.776 431 P CB 1.595 32.487 31.700 -1.348 0.000 0.881 432 T N 2.401 116.896 114.554 -0.099 0.000 2.909 432 T HA 0.281 4.631 4.350 -0.000 0.000 0.299 432 T C -0.904 173.829 174.700 0.055 0.000 1.073 432 T CA -0.221 61.873 62.100 -0.009 0.000 0.999 432 T CB 1.043 69.948 68.868 0.062 0.000 1.098 432 T HN 0.267 nan 8.240 nan 0.000 0.477 433 Y N 2.316 122.589 120.300 -0.045 0.000 2.326 433 Y HA 0.478 5.028 4.550 -0.000 0.000 0.324 433 Y C 0.745 176.628 175.900 -0.029 0.000 1.291 433 Y CA -0.234 57.846 58.100 -0.032 0.000 1.348 433 Y CB 0.397 38.831 38.460 -0.044 0.000 1.294 433 Y HN 0.997 nan 8.280 nan 0.000 0.525 434 A N 3.908 126.100 122.820 -1.046 0.000 1.804 434 A HA -0.295 4.025 4.320 -0.000 0.000 0.242 434 A C 0.496 177.867 177.584 -0.355 0.000 1.229 434 A CA 1.251 52.802 52.037 -0.810 0.000 0.751 434 A CB -1.941 16.578 19.000 -0.802 0.000 1.169 434 A HN 0.872 nan 8.150 nan 0.000 0.290 435 E N 0.132 120.210 120.200 -0.204 0.000 0.724 435 E HA -0.198 4.152 4.350 -0.000 0.000 0.339 435 E C -1.868 174.664 176.600 -0.114 0.000 0.770 435 E CA 0.736 57.068 56.400 -0.115 0.000 1.262 435 E CB -0.014 29.654 29.700 -0.053 0.000 0.520 435 E HN 0.605 nan 8.360 nan 0.000 0.346 436 P HA 0.135 nan 4.420 nan 0.000 0.284 436 P C -0.298 176.908 177.300 -0.157 0.000 1.258 436 P CA -0.295 62.813 63.100 0.013 0.000 0.824 436 P CB 1.150 32.969 31.700 0.199 0.000 1.038 437 H N -0.395 118.584 119.070 -0.152 0.000 2.429 437 H HA 0.183 4.739 4.556 -0.000 0.000 0.303 437 H C 0.001 175.109 175.328 -0.365 0.000 1.201 437 H CA 0.493 56.451 56.048 -0.151 0.000 1.776 437 H CB -0.021 29.607 29.762 -0.223 0.000 1.505 437 H HN 0.433 nan 8.280 nan 0.000 0.631 438 D N 0.148 120.207 120.400 -0.568 0.000 2.385 438 D HA 0.352 4.992 4.640 -0.000 0.000 0.254 438 D C -0.415 175.526 176.300 -0.598 0.000 1.053 438 D CA -0.404 53.157 54.000 -0.731 0.000 0.992 438 D CB 1.730 41.989 40.800 -0.901 0.000 1.145 438 D HN 0.487 nan 8.370 nan 0.000 0.523 439 C N 0.445 119.323 119.300 -0.703 0.000 3.288 439 C HA 0.825 5.285 4.460 -0.000 0.000 0.318 439 C C -1.020 173.403 174.990 -0.944 0.000 1.356 439 C CA -0.950 57.557 59.018 -0.851 0.000 1.359 439 C CB 0.101 26.878 27.740 -1.605 0.000 1.688 439 C HN 0.645 nan 8.230 nan 0.000 0.467 440 I N 1.335 121.521 120.570 -0.640 0.000 2.619 440 I HA 0.680 4.850 4.170 -0.000 0.000 0.292 440 I C -1.397 174.674 176.117 -0.077 0.000 1.100 440 I CA -1.037 59.928 61.300 -0.559 0.000 1.043 440 I CB 1.641 39.489 38.000 -0.255 0.000 1.239 440 I HN 0.791 nan 8.210 nan 0.000 0.420 441 L N 7.714 129.048 121.223 0.186 0.000 2.317 441 L HA 0.732 5.072 4.340 -0.000 0.000 0.281 441 L C -0.696 176.491 176.870 0.527 0.000 1.024 441 L CA -0.962 54.085 54.840 0.345 0.000 0.810 441 L CB 1.720 43.952 42.059 0.288 0.000 1.240 441 L HN 0.437 nan 8.230 nan 0.000 0.427 442 V N -0.050 120.197 119.914 0.555 0.000 2.925 442 V HA 0.568 4.688 4.120 -0.000 0.000 0.311 442 V C -0.163 176.256 176.094 0.542 0.000 1.104 442 V CA -1.104 61.555 62.300 0.598 0.000 0.954 442 V CB 1.852 33.957 31.823 0.471 0.000 1.022 442 V HN 0.716 nan 8.190 nan 0.000 0.427 443 R N 1.845 122.576 120.500 0.385 0.000 2.698 443 R HA 0.176 4.516 4.340 -0.000 0.000 0.266 443 R C 1.570 177.987 176.300 0.195 0.000 1.026 443 R CA 0.285 56.447 56.100 0.103 0.000 1.102 443 R CB 0.542 30.857 30.300 0.025 0.000 0.978 443 R HN 0.920 nan 8.270 nan 0.000 0.436 444 R N 1.940 122.513 120.500 0.121 0.000 2.119 444 R HA -0.216 4.124 4.340 -0.000 0.000 0.246 444 R C 0.912 177.343 176.300 0.220 0.000 1.146 444 R CA 2.587 58.843 56.100 0.261 0.000 0.962 444 R CB -0.210 30.133 30.300 0.073 0.000 0.863 444 R HN 0.761 nan 8.270 nan 0.000 0.442 445 D N -0.632 119.829 120.400 0.101 0.000 2.363 445 D HA -0.122 4.518 4.640 -0.000 0.000 0.220 445 D C 1.056 177.394 176.300 0.063 0.000 0.994 445 D CA 0.633 54.674 54.000 0.069 0.000 0.890 445 D CB -0.041 40.780 40.800 0.034 0.000 0.906 445 D HN 0.437 nan 8.370 nan 0.000 0.530 446 Q N -0.343 119.511 119.800 0.090 0.000 2.403 446 Q HA 0.155 4.495 4.340 -0.000 0.000 0.203 446 Q C -0.081 175.935 176.000 0.027 0.000 0.932 446 Q CA 0.132 55.987 55.803 0.086 0.000 0.945 446 Q CB 0.857 29.698 28.738 0.172 0.000 1.045 446 Q HN 0.356 nan 8.270 nan 0.000 0.511 447 I N 1.300 121.855 120.570 -0.024 0.000 2.436 447 I HA 0.284 4.454 4.170 -0.000 0.000 0.289 447 I C -0.461 175.605 176.117 -0.084 0.000 1.010 447 I CA -0.485 60.730 61.300 -0.141 0.000 1.098 447 I CB 1.753 39.468 38.000 -0.474 0.000 1.266 447 I HN -0.107 nan 8.210 nan 0.000 0.434 448 K N 5.039 125.387 120.400 -0.085 0.000 2.521 448 K HA 0.480 4.800 4.320 -0.000 0.000 0.248 448 K C -0.420 176.138 176.600 -0.070 0.000 0.978 448 K CA -0.436 55.818 56.287 -0.055 0.000 0.947 448 K CB 1.818 34.288 32.500 -0.050 0.000 1.165 448 K HN 0.507 nan 8.250 nan 0.000 0.445 449 T N 1.658 116.183 114.554 -0.049 0.000 2.927 449 T HA 0.351 4.701 4.350 -0.000 0.000 0.281 449 T C -0.123 174.545 174.700 -0.054 0.000 0.998 449 T CA -0.851 61.217 62.100 -0.054 0.000 1.019 449 T CB 1.283 70.139 68.868 -0.019 0.000 1.061 449 T HN 0.269 nan 8.240 nan 0.000 0.518 450 K N 0.839 121.190 120.400 -0.082 0.000 2.207 450 K HA 0.426 4.746 4.320 -0.000 0.000 0.255 450 K C 0.372 176.904 176.600 -0.113 0.000 0.941 450 K CA -0.838 55.391 56.287 -0.096 0.000 0.825 450 K CB 1.665 34.087 32.500 -0.129 0.000 1.119 450 K HN 0.258 nan 8.250 nan 0.000 0.430 451 K N 1.200 121.549 120.400 -0.086 0.000 2.284 451 K HA 0.188 4.507 4.320 -0.000 0.000 0.198 451 K C 0.557 177.094 176.600 -0.104 0.000 1.048 451 K CA 0.588 56.828 56.287 -0.077 0.000 0.987 451 K CB 0.190 32.668 32.500 -0.036 0.000 0.800 451 K HN 0.617 nan 8.250 nan 0.000 0.486 452 I N -3.959 116.545 120.570 -0.109 0.000 3.074 452 I HA 0.415 4.585 4.170 -0.000 0.000 0.310 452 I C -0.914 175.147 176.117 -0.094 0.000 1.153 452 I CA -1.440 59.812 61.300 -0.080 0.000 0.993 452 I CB 1.427 39.437 38.000 0.016 0.000 1.237 452 I HN -0.281 nan 8.210 nan 0.000 0.443 453 Y N 1.173 121.536 120.300 0.104 0.000 2.316 453 Y HA 0.400 4.949 4.550 -0.000 0.000 0.324 453 Y C 0.445 176.438 175.900 0.155 0.000 1.267 453 Y CA -0.136 58.063 58.100 0.165 0.000 1.311 453 Y CB 0.760 39.402 38.460 0.303 0.000 1.267 453 Y HN 0.425 nan 8.280 nan 0.000 0.516 454 E N 1.463 121.873 120.200 0.350 0.000 2.231 454 E HA 0.226 4.576 4.350 -0.000 0.000 0.277 454 E C 0.458 177.231 176.600 0.288 0.000 0.999 454 E CA -0.643 55.886 56.400 0.216 0.000 0.827 454 E CB 1.164 30.934 29.700 0.117 0.000 1.101 454 E HN 0.532 nan 8.360 nan 0.000 0.393 455 R N 1.200 121.847 120.500 0.245 0.000 2.341 455 R HA -0.113 4.227 4.340 -0.000 0.000 0.213 455 R C 0.959 177.379 176.300 0.200 0.000 1.082 455 R CA 0.654 56.943 56.100 0.315 0.000 1.017 455 R CB -0.644 29.772 30.300 0.193 0.000 0.860 455 R HN 0.639 nan 8.270 nan 0.000 0.473 456 N N -0.396 118.328 118.700 0.040 0.000 2.275 456 N HA -0.013 4.727 4.740 -0.000 0.000 0.236 456 N C -0.391 174.994 175.510 -0.210 0.000 1.154 456 N CA -0.415 52.592 53.050 -0.072 0.000 0.866 456 N CB 0.407 38.880 38.487 -0.023 0.000 1.093 456 N HN -0.157 nan 8.380 nan 0.000 0.515 457 D N 1.683 121.852 120.400 -0.385 0.000 2.424 457 D HA 0.057 4.696 4.640 -0.000 0.000 0.244 457 D C -1.305 174.683 176.300 -0.520 0.000 1.134 457 D CA -1.601 52.169 54.000 -0.384 0.000 0.881 457 D CB 1.623 42.277 40.800 -0.243 0.000 1.191 457 D HN 0.066 nan 8.370 nan 0.000 0.445 458 P HA -0.178 nan 4.420 nan 0.000 0.217 458 P C 1.148 178.408 177.300 -0.066 0.000 1.148 458 P CA 0.780 63.806 63.100 -0.123 0.000 0.828 458 P CB -0.074 31.608 31.700 -0.030 0.000 0.783 459 Y N 0.461 120.635 120.300 -0.209 0.000 2.446 459 Y HA -0.149 4.401 4.550 -0.000 0.000 0.287 459 Y C 1.033 176.943 175.900 0.016 0.000 1.159 459 Y CA 0.734 58.796 58.100 -0.063 0.000 1.297 459 Y CB -0.918 37.558 38.460 0.028 0.000 0.974 459 Y HN 0.040 nan 8.280 nan 0.000 0.557 460 F N -4.173 115.763 119.950 -0.023 0.000 2.777 460 F HA 0.662 5.189 4.527 -0.000 0.000 0.361 460 F C 1.165 176.947 175.800 -0.031 0.000 1.254 460 F CA -0.343 57.594 58.000 -0.105 0.000 1.181 460 F CB -0.939 37.943 39.000 -0.197 0.000 1.082 460 F HN -0.168 nan 8.300 nan 0.000 0.510 461 A N 1.005 123.795 122.820 -0.050 0.000 1.902 461 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 461 A C 2.422 180.028 177.584 0.036 0.000 1.181 461 A CA 2.417 54.436 52.037 -0.029 0.000 0.623 461 A CB -1.108 17.865 19.000 -0.044 0.000 0.818 461 A HN 0.567 nan 8.150 nan 0.000 0.443 462 S N -0.508 115.222 115.700 0.049 0.000 2.383 462 S HA -0.236 4.234 4.470 -0.000 0.000 0.229 462 S C 1.936 176.592 174.600 0.093 0.000 1.030 462 S CA 1.437 59.671 58.200 0.057 0.000 1.002 462 S CB -1.439 61.789 63.200 0.047 0.000 0.829 462 S HN 0.604 nan 8.310 nan 0.000 0.467 463 C N 3.364 122.751 119.300 0.145 0.000 2.413 463 C HA -0.068 4.391 4.460 -0.000 0.000 0.277 463 C C 3.034 178.071 174.990 0.078 0.000 1.228 463 C CA 1.190 60.324 59.018 0.193 0.000 1.731 463 C CB -1.271 26.611 27.740 0.236 0.000 2.042 463 C HN 0.761 nan 8.230 nan 0.000 0.468 464 R N 1.816 122.380 120.500 0.106 0.000 2.235 464 R HA 0.086 4.426 4.340 -0.000 0.000 0.213 464 R C 1.911 178.217 176.300 0.010 0.000 1.059 464 R CA 1.389 57.522 56.100 0.055 0.000 0.997 464 R CB -0.493 29.864 30.300 0.094 0.000 0.884 464 R HN 0.463 nan 8.270 nan 0.000 0.462 465 A N 1.232 124.062 122.820 0.018 0.000 1.970 465 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 465 A C 2.122 179.699 177.584 -0.012 0.000 1.170 465 A CA 1.000 53.037 52.037 0.000 0.000 0.645 465 A CB -0.163 18.842 19.000 0.008 0.000 0.816 465 A HN 0.299 nan 8.150 nan 0.000 0.447 466 Q N -0.004 119.792 119.800 -0.007 0.000 2.187 466 Q HA 0.151 4.491 4.340 -0.000 0.000 0.199 466 Q C 1.921 177.891 176.000 -0.051 0.000 0.957 466 Q CA 1.633 57.426 55.803 -0.017 0.000 0.857 466 Q CB -0.566 28.174 28.738 0.003 0.000 0.929 466 Q HN 0.504 nan 8.270 nan 0.000 0.453 467 A N 0.239 123.012 122.820 -0.079 0.000 1.873 467 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 467 A C 2.046 179.518 177.584 -0.187 0.000 1.186 467 A CA 1.723 53.651 52.037 -0.181 0.000 0.616 467 A CB -0.756 18.155 19.000 -0.149 0.000 0.823 467 A HN 0.471 nan 8.150 nan 0.000 0.442 468 E N 0.420 120.554 120.200 -0.109 0.000 2.038 468 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 468 E C 1.931 178.478 176.600 -0.088 0.000 1.000 468 E CA 2.026 58.372 56.400 -0.090 0.000 0.803 468 E CB -0.239 29.428 29.700 -0.055 0.000 0.750 468 E HN 0.606 nan 8.360 nan 0.000 0.448 469 K N -0.031 120.328 120.400 -0.069 0.000 2.103 469 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 469 K C 1.321 177.876 176.600 -0.075 0.000 1.048 469 K CA 1.398 57.650 56.287 -0.057 0.000 0.930 469 K CB -0.081 32.397 32.500 -0.037 0.000 0.716 469 K HN 0.230 nan 8.250 nan 0.000 0.444 470 D N -0.343 119.992 120.400 -0.108 0.000 2.340 470 D HA 0.022 4.662 4.640 -0.000 0.000 0.220 470 D C 0.681 176.871 176.300 -0.184 0.000 1.039 470 D CA 0.545 54.461 54.000 -0.140 0.000 0.866 470 D CB 0.433 41.129 40.800 -0.174 0.000 0.913 470 D HN 0.367 nan 8.370 nan 0.000 0.523 471 G N 1.561 110.261 108.800 -0.167 0.000 2.295 471 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.287 471 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.287 471 G C 0.410 175.181 174.900 -0.215 0.000 1.055 471 G CA 0.674 45.680 45.100 -0.157 0.000 0.922 471 G HN 0.398 nan 8.290 nan 0.000 0.503 472 V N -3.024 116.703 119.914 -0.312 0.000 2.628 472 V HA 0.918 5.038 4.120 -0.000 0.000 0.306 472 V C 0.215 176.132 176.094 -0.294 0.000 1.045 472 V CA -0.410 61.657 62.300 -0.389 0.000 0.905 472 V CB 2.219 33.581 31.823 -0.768 0.000 0.997 472 V HN 0.398 nan 8.190 nan 0.000 0.436 473 T N 5.838 120.261 114.554 -0.218 0.000 2.781 473 T HA 0.449 4.799 4.350 -0.000 0.000 0.305 473 T C 1.254 175.877 174.700 -0.129 0.000 1.001 473 T CA -0.225 61.792 62.100 -0.138 0.000 0.950 473 T CB 0.943 69.756 68.868 -0.092 0.000 0.955 473 T HN 0.656 nan 8.240 nan 0.000 0.471 474 L N 2.140 123.301 121.223 -0.104 0.000 2.081 474 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 474 L C 2.278 179.125 176.870 -0.038 0.000 1.080 474 L CA 1.487 56.294 54.840 -0.055 0.000 0.754 474 L CB -0.354 41.691 42.059 -0.023 0.000 0.893 474 L HN 0.556 nan 8.230 nan 0.000 0.433 475 E N -0.692 119.490 120.200 -0.031 0.000 2.409 475 E HA -0.118 4.232 4.350 -0.000 0.000 0.198 475 E C 1.711 178.300 176.600 -0.018 0.000 1.024 475 E CA 1.077 57.467 56.400 -0.017 0.000 0.861 475 E CB 0.077 29.775 29.700 -0.003 0.000 0.788 475 E HN 0.551 nan 8.360 nan 0.000 0.521 476 S N -1.616 114.065 115.700 -0.031 0.000 2.733 476 S HA 0.124 4.594 4.470 -0.000 0.000 0.270 476 S C -0.023 174.555 174.600 -0.036 0.000 1.062 476 S CA -0.627 57.557 58.200 -0.027 0.000 1.256 476 S CB 0.395 63.580 63.200 -0.026 0.000 1.187 476 S HN -0.112 nan 8.310 nan 0.000 0.666 477 D N 2.824 123.188 120.400 -0.060 0.000 2.253 477 D HA 0.457 5.097 4.640 -0.000 0.000 0.249 477 D C -0.601 175.674 176.300 -0.043 0.000 1.049 477 D CA -0.156 53.798 54.000 -0.075 0.000 0.929 477 D CB 0.606 41.316 40.800 -0.151 0.000 1.176 477 D HN 0.165 nan 8.370 nan 0.000 0.437 478 N N 1.737 120.417 118.700 -0.033 0.000 2.707 478 N HA 0.147 4.887 4.740 -0.000 0.000 0.249 478 N C -0.937 174.564 175.510 -0.015 0.000 1.299 478 N CA -0.304 52.743 53.050 -0.005 0.000 0.769 478 N CB 1.232 39.728 38.487 0.016 0.000 1.236 478 N HN 0.221 nan 8.380 nan 0.000 0.524 479 K N -0.113 120.273 120.400 -0.023 0.000 2.350 479 K HA 0.654 4.974 4.320 -0.000 0.000 0.241 479 K C -0.590 176.010 176.600 -0.001 0.000 0.994 479 K CA -0.910 55.359 56.287 -0.030 0.000 0.839 479 K CB 2.579 35.027 32.500 -0.086 0.000 1.244 479 K HN -0.147 nan 8.250 nan 0.000 0.443 480 V N 2.812 122.721 119.914 -0.009 0.000 2.325 480 V HA 0.333 4.452 4.120 -0.000 0.000 0.280 480 V C -0.659 175.435 176.094 0.001 0.000 1.016 480 V CA -0.660 61.630 62.300 -0.016 0.000 0.818 480 V CB 0.726 32.545 31.823 -0.007 0.000 1.019 480 V HN 0.586 nan 8.190 nan 0.000 0.434 481 I N 5.402 125.985 120.570 0.021 0.000 2.315 481 I HA 0.454 4.624 4.170 -0.000 0.000 0.291 481 I C 0.535 176.654 176.117 0.004 0.000 1.006 481 I CA -0.266 61.041 61.300 0.012 0.000 1.265 481 I CB 0.908 38.926 38.000 0.031 0.000 1.387 481 I HN 0.441 nan 8.210 nan 0.000 0.475 482 R N 4.184 124.683 120.500 -0.002 0.000 2.312 482 R HA 0.310 4.650 4.340 -0.000 0.000 0.311 482 R C -0.738 175.557 176.300 -0.007 0.000 1.004 482 R CA -0.613 55.485 56.100 -0.004 0.000 0.902 482 R CB 1.156 31.458 30.300 0.003 0.000 1.073 482 R HN 0.446 nan 8.270 nan 0.000 0.457 483 D N 2.278 122.671 120.400 -0.011 0.000 2.613 483 D HA 0.224 4.864 4.640 -0.000 0.000 0.312 483 D C 0.783 177.075 176.300 -0.013 0.000 1.202 483 D CA 0.466 54.459 54.000 -0.012 0.000 0.825 483 D CB 0.434 41.227 40.800 -0.012 0.000 1.113 483 D HN 0.754 nan 8.370 nan 0.000 0.502 484 G N 2.689 111.484 108.800 -0.009 0.000 2.609 484 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.288 484 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.288 484 G C 1.000 175.896 174.900 -0.008 0.000 1.211 484 G CA 0.233 45.328 45.100 -0.008 0.000 0.963 484 G HN 0.438 nan 8.290 nan 0.000 0.541 485 N N 1.901 120.594 118.700 -0.011 0.000 2.373 485 N HA 0.090 4.830 4.740 -0.000 0.000 0.181 485 N C 0.587 176.082 175.510 -0.026 0.000 1.082 485 N CA 0.755 53.798 53.050 -0.012 0.000 0.885 485 N CB 0.287 38.768 38.487 -0.011 0.000 0.977 485 N HN 0.562 nan 8.380 nan 0.000 0.462 486 K N 0.819 121.200 120.400 -0.032 0.000 2.130 486 K HA 0.503 4.823 4.320 -0.000 0.000 0.268 486 K C -0.670 175.899 176.600 -0.052 0.000 0.983 486 K CA -0.417 55.838 56.287 -0.053 0.000 0.893 486 K CB 2.462 34.933 32.500 -0.048 0.000 1.066 486 K HN -0.291 nan 8.250 nan 0.000 0.450 487 V N 3.326 123.189 119.914 -0.085 0.000 2.525 487 V HA 0.330 4.450 4.120 -0.000 0.000 0.299 487 V C -0.570 175.443 176.094 -0.135 0.000 1.034 487 V CA -0.893 61.358 62.300 -0.082 0.000 0.863 487 V CB 1.582 33.368 31.823 -0.062 0.000 0.999 487 V HN 0.689 nan 8.190 nan 0.000 0.423 488 R N 3.275 123.723 120.500 -0.087 0.000 2.239 488 R HA 0.601 4.941 4.340 -0.000 0.000 0.332 488 R C -1.073 175.145 176.300 -0.136 0.000 0.988 488 R CA -0.495 55.545 56.100 -0.099 0.000 0.859 488 R CB 1.918 32.236 30.300 0.030 0.000 1.148 488 R HN 0.529 nan 8.270 nan 0.000 0.482 489 V N 5.189 124.911 119.914 -0.321 0.000 2.364 489 V HA 0.219 4.339 4.120 -0.000 0.000 0.272 489 V C -0.660 175.230 176.094 -0.339 0.000 1.036 489 V CA -0.550 61.515 62.300 -0.391 0.000 0.880 489 V CB 0.460 31.796 31.823 -0.810 0.000 0.991 489 V HN 0.550 nan 8.190 nan 0.000 0.460 490 Y N 5.261 125.429 120.300 -0.221 0.000 2.328 490 Y HA 0.689 5.239 4.550 -0.000 0.000 0.337 490 Y C 0.321 176.111 175.900 -0.184 0.000 1.008 490 Y CA -0.460 57.534 58.100 -0.177 0.000 1.129 490 Y CB 1.505 39.852 38.460 -0.188 0.000 1.185 490 Y HN 0.479 nan 8.280 nan 0.000 0.476 491 M N 1.874 121.448 119.600 -0.044 0.000 2.572 491 M HA 0.425 4.905 4.480 -0.000 0.000 0.299 491 M C -0.398 175.907 176.300 0.009 0.000 1.205 491 M CA -0.661 54.615 55.300 -0.040 0.000 0.876 491 M CB 2.754 35.282 32.600 -0.120 0.000 1.728 491 M HN 0.586 nan 8.290 nan 0.000 0.458 492 T N 0.779 115.358 114.554 0.043 0.000 2.949 492 T HA 0.792 5.142 4.350 -0.000 0.000 0.287 492 T C -1.029 173.708 174.700 0.061 0.000 1.034 492 T CA -0.440 61.680 62.100 0.033 0.000 1.018 492 T CB 1.150 70.029 68.868 0.019 0.000 1.135 492 T HN 0.791 nan 8.240 nan 0.000 0.532 493 S N 1.002 116.707 115.700 0.007 0.000 2.546 493 S HA 0.776 5.246 4.470 -0.000 0.000 0.272 493 S C -1.002 173.536 174.600 -0.104 0.000 1.140 493 S CA -0.640 57.504 58.200 -0.094 0.000 0.920 493 S CB 1.047 64.128 63.200 -0.199 0.000 1.083 493 S HN 1.207 nan 8.310 nan 0.000 0.476 494 V N -1.143 118.686 119.914 -0.141 0.000 3.204 494 V HA 0.971 5.091 4.120 -0.000 0.000 0.298 494 V C 0.753 176.828 176.094 -0.033 0.000 1.328 494 V CA -0.521 61.775 62.300 -0.008 0.000 1.035 494 V CB 0.335 32.166 31.823 0.014 0.000 1.095 494 V HN 2.681 nan 8.190 nan 0.000 0.442 495 A N 2.093 124.957 122.820 0.074 0.000 5.649 495 A HA -0.131 4.189 4.320 -0.000 0.000 0.334 495 A C -1.381 176.130 177.584 -0.122 0.000 1.768 495 A CA 1.720 53.746 52.037 -0.017 0.000 0.782 495 A CB -2.651 16.288 19.000 -0.102 0.000 1.376 495 A HN 1.382 nan 8.150 nan 0.000 0.413 496 P HA 0.268 nan 4.420 nan 0.000 0.236 496 P C -0.507 176.667 177.300 -0.210 0.000 1.749 496 P CA 0.443 63.384 63.100 -0.264 0.000 0.994 496 P CB -0.023 31.448 31.700 -0.382 0.000 1.599 497 Q N -0.386 119.278 119.800 -0.227 0.000 2.379 497 Q HA 0.418 4.758 4.340 -0.000 0.000 0.278 497 Q C -1.152 174.729 176.000 -0.198 0.000 1.068 497 Q CA -0.804 54.897 55.803 -0.169 0.000 0.816 497 Q CB 1.801 30.502 28.738 -0.061 0.000 1.387 497 Q HN 0.021 nan 8.270 nan 0.000 0.413 498 Y N -0.529 119.788 120.300 0.029 0.000 2.335 498 Y HA 0.314 4.864 4.550 -0.000 0.000 0.323 498 Y C 1.420 177.354 175.900 0.058 0.000 1.224 498 Y CA 0.107 58.246 58.100 0.065 0.000 1.241 498 Y CB 1.170 39.765 38.460 0.226 0.000 1.235 498 Y HN 0.922 nan 8.280 nan 0.000 0.492 499 G N 1.717 110.647 108.800 0.217 0.000 2.559 499 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.216 499 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.216 499 G C 0.198 175.178 174.900 0.134 0.000 1.126 499 G CA 0.212 45.386 45.100 0.124 0.000 0.778 499 G HN 0.506 nan 8.290 nan 0.000 0.543 500 M N 0.131 119.851 119.600 0.200 0.000 2.457 500 M HA 0.410 4.890 4.480 -0.000 0.000 0.300 500 M C 0.423 176.909 176.300 0.311 0.000 1.141 500 M CA -0.466 54.954 55.300 0.200 0.000 0.901 500 M CB 2.234 34.924 32.600 0.150 0.000 1.687 500 M HN -0.011 nan 8.290 nan 0.000 0.449 501 T N -1.447 113.256 114.554 0.250 0.000 3.111 501 T HA 0.382 4.732 4.350 -0.000 0.000 0.284 501 T C -0.459 174.322 174.700 0.135 0.000 0.983 501 T CA -0.297 61.925 62.100 0.204 0.000 0.900 501 T CB 0.038 68.967 68.868 0.101 0.000 1.132 501 T HN 0.681 nan 8.240 nan 0.000 0.531 502 D N 0.309 120.852 120.400 0.238 0.000 2.747 502 D HA 0.422 5.062 4.640 -0.000 0.000 0.218 502 D C -1.779 174.683 176.300 0.270 0.000 1.230 502 D CA -0.429 53.656 54.000 0.142 0.000 0.774 502 D CB 2.216 43.016 40.800 -0.000 0.000 1.667 502 D HN 0.268 nan 8.370 nan 0.000 0.499 503 F N 0.024 120.014 119.950 0.067 0.000 2.678 503 F HA 0.605 5.132 4.527 -0.000 0.000 0.308 503 F C -1.400 174.417 175.800 0.030 0.000 1.118 503 F CA -0.894 57.128 58.000 0.037 0.000 0.959 503 F CB 1.290 40.304 39.000 0.023 0.000 1.305 503 F HN -0.049 nan 8.300 nan 0.000 0.443 504 K N 2.037 122.515 120.400 0.129 0.000 2.208 504 K HA 0.864 5.184 4.320 -0.000 0.000 0.247 504 K C -1.193 175.485 176.600 0.129 0.000 0.953 504 K CA -1.043 55.261 56.287 0.028 0.000 0.837 504 K CB 2.725 35.236 32.500 0.020 0.000 1.131 504 K HN 0.775 nan 8.250 nan 0.000 0.431 505 V N -1.883 118.076 119.914 0.076 0.000 3.232 505 V HA 0.532 4.652 4.120 -0.000 0.000 0.303 505 V C -1.422 174.711 176.094 0.066 0.000 1.311 505 V CA -1.256 61.103 62.300 0.097 0.000 1.061 505 V CB 1.824 33.732 31.823 0.142 0.000 1.085 505 V HN 0.636 nan 8.190 nan 0.000 0.447 506 K N 0.719 121.155 120.400 0.061 0.000 2.156 506 K HA 0.451 4.771 4.320 -0.000 0.000 0.254 506 K C -0.312 176.329 176.600 0.070 0.000 0.950 506 K CA -0.569 55.751 56.287 0.055 0.000 0.849 506 K CB 2.082 34.605 32.500 0.039 0.000 1.100 506 K HN 0.967 nan 8.250 nan 0.000 0.434 507 E N 0.811 121.057 120.200 0.077 0.000 2.585 507 E HA -0.102 4.248 4.350 -0.000 0.000 0.252 507 E C 0.501 177.141 176.600 0.068 0.000 0.981 507 E CA 1.069 57.523 56.400 0.090 0.000 0.943 507 E CB -0.099 29.650 29.700 0.083 0.000 0.923 507 E HN 0.793 nan 8.360 nan 0.000 0.486 508 G N 3.984 112.829 108.800 0.075 0.000 2.213 508 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.226 508 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.226 508 G C -0.246 174.676 174.900 0.036 0.000 0.992 508 G CA 0.014 45.145 45.100 0.052 0.000 0.632 508 G HN 0.659 nan 8.290 nan 0.000 0.511 509 D N 1.102 121.523 120.400 0.035 0.000 2.424 509 D HA 0.389 5.029 4.640 -0.000 0.000 0.244 509 D C 0.591 176.869 176.300 -0.037 0.000 1.134 509 D CA 0.198 54.200 54.000 0.003 0.000 0.881 509 D CB 0.881 41.687 40.800 0.009 0.000 1.191 509 D HN 0.477 nan 8.370 nan 0.000 0.445 510 E N 2.072 122.231 120.200 -0.070 0.000 1.996 510 E HA 0.223 4.573 4.350 -0.000 0.000 0.280 510 E C -1.073 175.389 176.600 -0.228 0.000 1.092 510 E CA -0.574 55.749 56.400 -0.127 0.000 0.862 510 E CB 0.388 30.030 29.700 -0.097 0.000 1.066 510 E HN 0.095 nan 8.360 nan 0.000 0.396 511 V N 4.480 124.142 119.914 -0.420 0.000 2.407 511 V HA 0.234 4.354 4.120 -0.000 0.000 0.278 511 V C 0.179 175.820 176.094 -0.754 0.000 1.037 511 V CA -0.505 61.438 62.300 -0.596 0.000 0.900 511 V CB 1.582 32.928 31.823 -0.794 0.000 0.983 511 V HN 0.643 nan 8.190 nan 0.000 0.459 512 T N 4.611 118.845 114.554 -0.534 0.000 2.791 512 T HA 0.459 4.809 4.350 -0.000 0.000 0.288 512 T C -0.312 174.016 174.700 -0.620 0.000 0.999 512 T CA -0.311 61.455 62.100 -0.558 0.000 0.952 512 T CB 1.360 69.956 68.868 -0.453 0.000 0.938 512 T HN 0.352 nan 8.240 nan 0.000 0.444 513 V N 4.914 124.431 119.914 -0.663 0.000 2.350 513 V HA 0.378 4.498 4.120 -0.000 0.000 0.276 513 V C -0.909 174.704 176.094 -0.803 0.000 1.028 513 V CA -0.801 61.063 62.300 -0.727 0.000 0.860 513 V CB 0.200 31.524 31.823 -0.832 0.000 0.990 513 V HN 0.766 nan 8.190 nan 0.000 0.453 514 Y N 4.991 124.881 120.300 -0.684 0.000 2.328 514 Y HA 0.600 5.150 4.550 -0.000 0.000 0.337 514 Y C 0.156 175.784 175.900 -0.454 0.000 1.008 514 Y CA -0.894 56.866 58.100 -0.566 0.000 1.129 514 Y CB 1.374 39.424 38.460 -0.683 0.000 1.185 514 Y HN 0.353 nan 8.280 nan 0.000 0.476 515 I N 3.298 123.720 120.570 -0.245 0.000 2.465 515 I HA 0.331 4.501 4.170 -0.000 0.000 0.291 515 I C -0.348 175.693 176.117 -0.127 0.000 1.014 515 I CA -0.602 60.593 61.300 -0.176 0.000 1.093 515 I CB 1.870 39.776 38.000 -0.157 0.000 1.267 515 I HN 0.553 nan 8.210 nan 0.000 0.431 516 T N 4.682 119.189 114.554 -0.079 0.000 2.807 516 T HA 0.273 4.623 4.350 -0.000 0.000 0.279 516 T C -0.007 174.664 174.700 -0.048 0.000 0.993 516 T CA -0.609 61.426 62.100 -0.109 0.000 0.970 516 T CB 1.371 70.186 68.868 -0.089 0.000 0.950 516 T HN 0.438 nan 8.240 nan 0.000 0.441 517 N N 3.084 121.754 118.700 -0.049 0.000 2.485 517 N HA 0.256 4.996 4.740 -0.000 0.000 0.243 517 N C 0.586 176.121 175.510 0.041 0.000 0.987 517 N CA -0.624 52.453 53.050 0.045 0.000 0.940 517 N CB 0.334 38.875 38.487 0.090 0.000 1.122 517 N HN 0.544 nan 8.380 nan 0.000 0.509 518 L N 0.826 122.079 121.223 0.050 0.000 2.554 518 L HA 0.155 4.495 4.340 -0.000 0.000 0.226 518 L C 0.217 177.125 176.870 0.064 0.000 1.137 518 L CA 0.198 55.065 54.840 0.046 0.000 0.863 518 L CB -0.195 41.883 42.059 0.031 0.000 0.985 518 L HN 0.452 nan 8.230 nan 0.000 0.451 519 D N 0.463 120.919 120.400 0.094 0.000 2.423 519 D HA 0.021 4.661 4.640 -0.000 0.000 0.238 519 D C 0.921 177.260 176.300 0.064 0.000 1.142 519 D CA 0.455 54.507 54.000 0.087 0.000 0.884 519 D CB 1.457 42.322 40.800 0.107 0.000 1.199 519 D HN 0.043 nan 8.370 nan 0.000 0.438 520 M N 0.776 120.408 119.600 0.053 0.000 2.292 520 M HA 0.077 4.557 4.480 -0.000 0.000 0.286 520 M C -0.179 176.142 176.300 0.034 0.000 1.002 520 M CA 0.073 55.400 55.300 0.045 0.000 1.029 520 M CB 0.609 33.234 32.600 0.042 0.000 1.537 520 M HN 0.007 nan 8.290 nan 0.000 0.543 521 V N 2.272 122.206 119.914 0.033 0.000 2.508 521 V HA 0.249 4.369 4.120 -0.000 0.000 0.281 521 V C 0.926 177.027 176.094 0.011 0.000 1.041 521 V CA -0.574 61.740 62.300 0.023 0.000 1.016 521 V CB 0.013 31.853 31.823 0.029 0.000 0.984 521 V HN 0.528 nan 8.190 nan 0.000 0.478 522 E N 2.763 122.967 120.200 0.007 0.000 2.467 522 E HA 0.080 4.430 4.350 -0.000 0.000 0.264 522 E C 0.919 177.516 176.600 -0.004 0.000 1.020 522 E CA 0.492 56.890 56.400 -0.002 0.000 0.945 522 E CB -0.106 nan 29.700 nan 0.000 0.942 522 E HN 0.968 nan 8.360 nan 0.000 0.449 523 D N -0.380 120.013 120.400 -0.012 0.000 2.946 523 D HA -0.167 4.473 4.640 -0.000 0.000 0.202 523 D C 0.001 176.286 176.300 -0.024 0.000 1.068 523 D CA 1.353 55.349 54.000 -0.007 0.000 1.011 523 D CB -1.296 39.510 40.800 0.010 0.000 1.105 523 D HN 0.510 nan 8.370 nan 0.000 0.425 524 V N 2.073 121.959 119.914 -0.046 0.000 2.223 524 V HA 0.232 4.352 4.120 -0.000 0.000 0.249 524 V C 0.763 176.725 176.094 -0.219 0.000 1.233 524 V CA 0.362 62.602 62.300 -0.100 0.000 1.131 524 V CB 0.735 32.521 31.823 -0.061 0.000 1.298 524 V HN 0.059 nan 8.190 nan 0.000 0.498 525 T N 3.963 118.367 114.554 -0.251 0.000 2.907 525 T HA 0.505 4.855 4.350 -0.000 0.000 0.284 525 T C -0.269 174.166 174.700 -0.442 0.000 1.004 525 T CA -0.287 61.574 62.100 -0.398 0.000 1.063 525 T CB 1.029 69.519 68.868 -0.630 0.000 0.992 525 T HN 0.555 nan 8.240 nan 0.000 0.483 526 H N -0.240 118.748 119.070 -0.136 0.000 2.737 526 H HA 0.735 5.291 4.556 -0.000 0.000 0.358 526 H C 0.345 175.745 175.328 0.120 0.000 1.187 526 H CA -0.579 55.511 56.048 0.069 0.000 1.221 526 H CB 1.943 31.743 29.762 0.063 0.000 1.799 526 H HN 0.841 nan 8.280 nan 0.000 0.568 527 G N -0.344 108.775 108.800 0.531 0.000 2.798 527 G HA2 0.510 4.470 3.960 -0.000 0.000 0.286 527 G HA3 0.510 4.470 3.960 -0.000 0.000 0.286 527 G C -2.011 173.204 174.900 0.525 0.000 1.389 527 G CA -0.539 44.902 45.100 0.569 0.000 0.894 527 G HN 0.369 nan 8.290 nan 0.000 0.488 528 F N -0.329 119.760 119.950 0.231 0.000 2.605 528 F HA 0.579 5.106 4.527 -0.000 0.000 0.320 528 F C -1.024 174.759 175.800 -0.028 0.000 1.159 528 F CA -1.211 56.863 58.000 0.124 0.000 0.999 528 F CB 1.554 40.586 39.000 0.054 0.000 1.258 528 F HN 0.676 nan 8.300 nan 0.000 0.464 529 C N 7.803 126.525 119.300 -0.963 0.000 2.608 529 C HA 0.789 5.249 4.460 -0.000 0.000 0.325 529 C C -1.386 173.121 174.990 -0.806 0.000 1.147 529 C CA -0.639 57.924 59.018 -0.759 0.000 1.359 529 C CB 0.925 28.196 27.740 -0.781 0.000 1.912 529 C HN 0.925 nan 8.230 nan 0.000 0.466 530 M N 6.530 125.828 119.600 -0.503 0.000 2.066 530 M HA 0.510 4.990 4.480 -0.000 0.000 0.340 530 M C -0.434 175.813 176.300 -0.089 0.000 1.053 530 M CA -0.308 54.807 55.300 -0.308 0.000 0.983 530 M CB 1.049 33.356 32.600 -0.488 0.000 1.520 530 M HN 0.568 nan 8.290 nan 0.000 0.428 531 V N 7.061 127.047 119.914 0.120 0.000 2.752 531 V HA -0.061 4.059 4.120 -0.000 0.000 0.306 531 V C 0.716 176.938 176.094 0.213 0.000 1.099 531 V CA 0.629 63.055 62.300 0.210 0.000 1.240 531 V CB -0.473 31.528 31.823 0.296 0.000 0.887 531 V HN 1.064 nan 8.190 nan 0.000 0.499 532 N N 2.352 121.122 118.700 0.117 0.000 2.708 532 N HA -0.218 4.522 4.740 -0.000 0.000 0.251 532 N C 0.186 175.553 175.510 -0.238 0.000 1.123 532 N CA 1.472 54.525 53.050 0.005 0.000 0.739 532 N CB -1.349 37.192 38.487 0.089 0.000 1.113 532 N HN 0.942 nan 8.380 nan 0.000 0.561 533 H N -1.481 117.455 119.070 -0.223 0.000 2.916 533 H HA 0.415 4.971 4.556 -0.000 0.000 0.262 533 H C 1.308 176.506 175.328 -0.218 0.000 1.178 533 H CA 0.282 56.139 56.048 -0.318 0.000 1.090 533 H CB 0.436 29.793 29.762 -0.675 0.000 1.657 533 H HN 0.291 nan 8.280 nan 0.000 0.601 534 G N 1.275 110.034 108.800 -0.068 0.000 2.395 534 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.300 534 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.300 534 G C -0.380 174.512 174.900 -0.013 0.000 0.998 534 G CA 0.761 45.844 45.100 -0.028 0.000 1.046 534 G HN 0.274 nan 8.290 nan 0.000 0.513 535 V N -0.490 119.398 119.914 -0.044 0.000 2.709 535 V HA 0.886 5.006 4.120 -0.000 0.000 0.308 535 V C 0.031 176.127 176.094 0.003 0.000 1.062 535 V CA 0.053 62.352 62.300 -0.001 0.000 0.901 535 V CB 2.263 34.081 31.823 -0.008 0.000 1.003 535 V HN 0.924 nan 8.190 nan 0.000 0.425 536 S N 5.644 121.389 115.700 0.075 0.000 2.537 536 S HA 0.897 5.367 4.470 -0.000 0.000 0.271 536 S C -1.158 173.551 174.600 0.182 0.000 1.148 536 S CA -0.585 57.676 58.200 0.101 0.000 0.868 536 S CB 1.632 64.874 63.200 0.070 0.000 1.115 536 S HN 0.988 nan 8.310 nan 0.000 0.461 537 M N 2.051 121.805 119.600 0.255 0.000 2.603 537 M HA 0.586 5.066 4.480 -0.000 0.000 0.275 537 M C -1.464 175.026 176.300 0.316 0.000 1.226 537 M CA -0.702 54.747 55.300 0.248 0.000 0.870 537 M CB 1.802 34.483 32.600 0.136 0.000 1.716 537 M HN 0.618 nan 8.290 nan 0.000 0.482 538 E N 2.163 122.487 120.200 0.208 0.000 2.231 538 E HA 0.618 4.968 4.350 -0.000 0.000 0.277 538 E C -1.749 174.765 176.600 -0.144 0.000 0.999 538 E CA -0.673 55.662 56.400 -0.108 0.000 0.827 538 E CB 1.332 30.880 29.700 -0.252 0.000 1.101 538 E HN 0.714 nan 8.360 nan 0.000 0.393 539 I N 3.167 123.608 120.570 -0.215 0.000 2.542 539 I HA 0.167 4.337 4.170 -0.000 0.000 0.278 539 I C -0.116 175.914 176.117 -0.146 0.000 1.069 539 I CA -0.291 60.929 61.300 -0.134 0.000 1.100 539 I CB 1.561 39.541 38.000 -0.034 0.000 1.204 539 I HN 0.294 nan 8.210 nan 0.000 0.470 540 S N 5.315 120.956 115.700 -0.098 0.000 2.655 540 S HA 0.440 4.909 4.470 -0.000 0.000 0.265 540 S C -2.370 172.274 174.600 0.072 0.000 1.240 540 S CA -0.975 57.208 58.200 -0.028 0.000 0.986 540 S CB 0.489 63.757 63.200 0.112 0.000 0.985 540 S HN 0.297 nan 8.310 nan 0.000 0.562 541 P HA 0.033 nan 4.420 nan 0.000 0.256 541 P C -0.376 177.027 177.300 0.172 0.000 1.173 541 P CA 0.854 64.008 63.100 0.090 0.000 0.768 541 P CB 0.105 31.835 31.700 0.050 0.000 0.758 542 Q N -1.031 118.835 119.800 0.111 0.000 2.465 542 Q HA -0.238 4.102 4.340 -0.000 0.000 0.248 542 Q C 0.028 176.045 176.000 0.028 0.000 0.819 542 Q CA 1.188 57.057 55.803 0.110 0.000 1.219 542 Q CB -1.893 26.960 28.738 0.191 0.000 1.472 542 Q HN 0.668 nan 8.270 nan 0.000 0.630 543 Q N -0.129 119.594 119.800 -0.129 0.000 2.215 543 Q HA 0.595 4.935 4.340 -0.000 0.000 0.256 543 Q C -0.786 174.728 176.000 -0.810 0.000 0.972 543 Q CA -0.153 55.271 55.803 -0.632 0.000 0.889 543 Q CB 1.379 29.825 28.738 -0.487 0.000 1.281 543 Q HN 0.074 nan 8.270 nan 0.000 0.456 544 T N 1.135 114.867 114.554 -1.370 0.000 2.876 544 T HA 0.818 5.168 4.350 -0.000 0.000 0.289 544 T C -1.519 172.841 174.700 -0.566 0.000 1.014 544 T CA -0.495 61.136 62.100 -0.782 0.000 0.986 544 T CB 1.602 70.071 68.868 -0.665 0.000 1.021 544 T HN 0.701 nan 8.240 nan 0.000 0.458 545 A N 1.943 124.558 122.820 -0.341 0.000 2.572 545 A HA 0.911 5.231 4.320 -0.000 0.000 0.295 545 A C -0.543 176.854 177.584 -0.311 0.000 1.072 545 A CA -0.825 51.031 52.037 -0.302 0.000 0.691 545 A CB 1.578 20.414 19.000 -0.274 0.000 1.291 545 A HN 1.000 nan 8.150 nan 0.000 0.404 546 S N -0.507 114.968 115.700 -0.376 0.000 2.627 546 S HA 0.879 5.349 4.470 -0.000 0.000 0.283 546 S C -1.218 173.131 174.600 -0.419 0.000 1.127 546 S CA -0.521 57.319 58.200 -0.601 0.000 0.863 546 S CB 1.527 64.059 63.200 -1.114 0.000 1.121 546 S HN 2.215 nan 8.310 nan 0.000 0.479 547 V N 1.126 120.789 119.914 -0.419 0.000 2.891 547 V HA 0.762 4.882 4.120 -0.000 0.000 0.304 547 V C -0.817 175.155 176.094 -0.204 0.000 1.171 547 V CA 0.352 62.533 62.300 -0.198 0.000 0.943 547 V CB 1.947 33.764 31.823 -0.009 0.000 1.037 547 V HN 1.421 nan 8.190 nan 0.000 0.427 548 T N 5.687 120.150 114.554 -0.152 0.000 2.856 548 T HA 0.896 5.246 4.350 -0.000 0.000 0.283 548 T C -0.928 173.754 174.700 -0.031 0.000 1.008 548 T CA -0.277 61.683 62.100 -0.233 0.000 0.997 548 T CB 1.298 70.013 68.868 -0.256 0.000 0.992 548 T HN 1.309 nan 8.240 nan 0.000 0.454 549 F N -0.443 119.476 119.950 -0.051 0.000 2.715 549 F HA 0.731 5.258 4.527 -0.000 0.000 0.318 549 F C -0.738 175.077 175.800 0.024 0.000 1.141 549 F CA -1.200 56.804 58.000 0.006 0.000 0.950 549 F CB 0.866 39.901 39.000 0.059 0.000 1.374 549 F HN 0.416 nan 8.300 nan 0.000 0.477 550 T N 2.005 116.757 114.554 0.329 0.000 2.744 550 T HA 0.639 4.989 4.350 -0.000 0.000 0.291 550 T C 0.069 174.995 174.700 0.376 0.000 0.957 550 T CA -0.222 62.004 62.100 0.211 0.000 1.002 550 T CB 0.864 69.802 68.868 0.118 0.000 0.919 550 T HN 0.914 nan 8.240 nan 0.000 0.468 551 A N 3.622 126.611 122.820 0.282 0.000 2.548 551 A HA 0.517 4.837 4.320 -0.000 0.000 0.247 551 A C 1.169 178.909 177.584 0.259 0.000 1.067 551 A CA -0.041 52.192 52.037 0.326 0.000 0.757 551 A CB -0.192 18.924 19.000 0.192 0.000 0.996 551 A HN 0.946 nan 8.150 nan 0.000 0.504 552 G N 2.041 111.016 108.800 0.292 0.000 2.514 552 G HA2 0.376 4.336 3.960 -0.000 0.000 0.245 552 G HA3 0.376 4.336 3.960 -0.000 0.000 0.245 552 G C 0.366 175.359 174.900 0.156 0.000 1.488 552 G CA -0.193 44.936 45.100 0.047 0.000 1.063 552 G HN 1.055 nan 8.290 nan 0.000 0.557 553 K N 0.666 121.168 120.400 0.170 0.000 2.336 553 K HA 0.219 4.539 4.320 -0.000 0.000 0.262 553 K C -2.400 174.360 176.600 0.267 0.000 0.992 553 K CA -1.011 55.385 56.287 0.182 0.000 0.927 553 K CB 0.381 32.966 32.500 0.141 0.000 0.956 553 K HN 0.187 nan 8.250 nan 0.000 0.495 554 P HA 0.106 nan 4.420 nan 0.000 0.269 554 P C 0.099 177.435 177.300 0.061 0.000 1.209 554 P CA 0.320 63.496 63.100 0.127 0.000 0.776 554 P CB 0.859 32.598 31.700 0.066 0.000 0.876 555 G N 0.386 109.176 108.800 -0.018 0.000 2.357 555 G HA2 0.150 4.110 3.960 -0.000 0.000 0.289 555 G HA3 0.150 4.110 3.960 -0.000 0.000 0.289 555 G C -1.553 173.143 174.900 -0.340 0.000 1.302 555 G CA -0.707 44.278 45.100 -0.192 0.000 0.936 555 G HN 0.404 nan 8.290 nan 0.000 0.513 556 V N 0.245 119.903 119.914 -0.426 0.000 2.567 556 V HA 0.673 4.793 4.120 -0.000 0.000 0.289 556 V C -0.873 174.878 176.094 -0.572 0.000 1.049 556 V CA -0.264 61.799 62.300 -0.395 0.000 0.969 556 V CB 1.079 32.742 31.823 -0.266 0.000 0.995 556 V HN 0.617 nan 8.190 nan 0.000 0.471 557 Y N 1.836 122.102 120.300 -0.057 0.000 2.322 557 Y HA 0.433 4.983 4.550 -0.000 0.000 0.324 557 Y C -0.444 175.471 175.900 0.025 0.000 1.027 557 Y CA -0.842 57.290 58.100 0.052 0.000 1.179 557 Y CB 1.148 39.639 38.460 0.051 0.000 1.136 557 Y HN 0.627 nan 8.280 nan 0.000 0.449 558 W N 3.932 125.295 121.300 0.104 0.000 2.184 558 W HA 0.430 5.090 4.660 -0.000 0.000 0.338 558 W C -0.434 176.156 176.519 0.118 0.000 1.257 558 W CA -0.259 57.099 57.345 0.022 0.000 1.243 558 W CB 0.469 29.911 29.460 -0.031 0.000 1.122 558 W HN 0.458 nan 8.180 nan 0.000 0.585 559 Y N 1.170 121.650 120.300 0.300 0.000 2.499 559 Y HA 0.738 5.288 4.550 -0.000 0.000 0.347 559 Y C -1.004 175.035 175.900 0.231 0.000 0.987 559 Y CA -2.465 55.665 58.100 0.050 0.000 1.044 559 Y CB 0.889 39.249 38.460 -0.168 0.000 1.245 559 Y HN 0.500 nan 8.280 nan 0.000 0.461 560 Y N -0.040 120.320 120.300 0.101 0.000 2.670 560 Y HA 0.622 5.172 4.550 -0.000 0.000 0.334 560 Y C -1.321 174.746 175.900 0.278 0.000 1.185 560 Y CA -2.550 55.678 58.100 0.213 0.000 1.053 560 Y CB 0.567 39.050 38.460 0.038 0.000 1.298 560 Y HN 1.056 nan 8.280 nan 0.000 0.459 561 C N 2.931 122.445 119.300 0.355 0.000 2.415 561 C HA 0.389 4.849 4.460 -0.000 0.000 0.369 561 C C 0.693 175.896 174.990 0.355 0.000 1.279 561 C CA 0.204 59.416 59.018 0.324 0.000 1.886 561 C CB -1.236 26.660 27.740 0.260 0.000 2.468 561 C HN 0.997 nan 8.230 nan 0.000 0.553 562 N N 3.461 122.344 118.700 0.306 0.000 2.214 562 N HA 0.063 4.803 4.740 -0.000 0.000 0.214 562 N C -0.358 175.325 175.510 0.288 0.000 1.132 562 N CA -0.393 52.843 53.050 0.310 0.000 0.856 562 N CB 0.322 38.847 38.487 0.064 0.000 1.020 562 N HN 0.727 nan 8.380 nan 0.000 0.509 563 W N 1.574 123.047 121.300 0.289 0.000 2.338 563 W HA 0.370 5.030 4.660 -0.000 0.000 0.315 563 W C -0.749 175.699 176.519 -0.118 0.000 1.005 563 W CA -1.250 56.165 57.345 0.117 0.000 1.380 563 W CB 0.460 29.987 29.460 0.113 0.000 1.235 563 W HN -0.091 nan 8.180 nan 0.000 0.409 564 F N 4.308 124.012 119.950 -0.411 0.000 2.514 564 F HA -0.156 4.371 4.527 -0.000 0.000 0.399 564 F C 1.440 177.108 175.800 -0.221 0.000 1.011 564 F CA 1.051 58.560 58.000 -0.818 0.000 1.109 564 F CB 0.368 39.098 39.000 -0.451 0.000 0.980 564 F HN 0.360 nan 8.300 nan 0.000 0.538 565 C N 3.282 122.614 119.300 0.053 0.000 3.545 565 C HA 0.393 4.853 4.460 -0.000 0.000 0.368 565 C C 0.234 175.399 174.990 0.291 0.000 1.400 565 C CA -0.281 58.832 59.018 0.159 0.000 1.848 565 C CB -0.773 26.995 27.740 0.048 0.000 2.576 565 C HN 0.793 nan 8.230 nan 0.000 0.683 566 H N -0.844 118.358 119.070 0.221 0.000 2.967 566 H HA 0.474 5.030 4.556 -0.000 0.000 0.318 566 H C 0.631 176.124 175.328 0.277 0.000 1.375 566 H CA 0.426 56.600 56.048 0.210 0.000 1.132 566 H CB 1.919 31.779 29.762 0.164 0.000 1.848 566 H HN -0.032 nan 8.280 nan 0.000 0.524 567 A N 1.937 124.766 122.820 0.014 0.000 2.019 567 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 567 A C 1.668 179.439 177.584 0.311 0.000 1.164 567 A CA 1.149 53.293 52.037 0.177 0.000 0.644 567 A CB -0.364 18.631 19.000 -0.010 0.000 0.805 567 A HN 0.455 nan 8.150 nan 0.000 0.449 568 L N -0.887 120.651 121.223 0.525 0.000 2.783 568 L HA 0.118 4.458 4.340 -0.000 0.000 0.236 568 L C 1.683 178.634 176.870 0.134 0.000 1.225 568 L CA -0.038 54.968 54.840 0.276 0.000 1.026 568 L CB -0.394 41.793 42.059 0.214 0.000 1.314 568 L HN 0.555 nan 8.230 nan 0.000 0.489 569 H N 0.852 119.915 119.070 -0.010 0.000 2.353 569 H HA -0.218 4.337 4.556 -0.000 0.000 0.298 569 H C 2.149 177.349 175.328 -0.213 0.000 1.103 569 H CA 1.973 57.884 56.048 -0.227 0.000 1.293 569 H CB 0.287 29.564 29.762 -0.809 0.000 1.372 569 H HN 0.130 nan 8.280 nan 0.000 0.501 570 M N 0.209 119.597 119.600 -0.353 0.000 2.267 570 M HA -0.100 4.380 4.480 -0.000 0.000 0.263 570 M C 1.476 177.636 176.300 -0.233 0.000 1.063 570 M CA 1.384 56.482 55.300 -0.337 0.000 1.090 570 M CB -0.620 31.884 32.600 -0.160 0.000 1.392 570 M HN 0.370 nan 8.290 nan 0.000 0.422 571 E N -0.435 119.683 120.200 -0.136 0.000 2.478 571 E HA 0.103 4.453 4.350 -0.000 0.000 0.194 571 E C 0.792 177.370 176.600 -0.037 0.000 1.045 571 E CA -0.051 56.308 56.400 -0.068 0.000 0.868 571 E CB -0.127 29.560 29.700 -0.023 0.000 0.885 571 E HN 0.357 nan 8.360 nan 0.000 0.505 572 M N 2.159 121.710 119.600 -0.083 0.000 3.070 572 M HA 0.095 4.575 4.480 -0.000 0.000 0.275 572 M C -0.592 175.767 176.300 0.099 0.000 1.510 572 M CA -0.140 55.119 55.300 -0.069 0.000 1.608 572 M CB -0.358 32.142 32.600 -0.166 0.000 1.266 572 M HN -0.054 nan 8.290 nan 0.000 0.514 573 V N 0.895 120.929 119.914 0.200 0.000 3.105 573 V HA 1.129 5.249 4.120 -0.000 0.000 0.311 573 V C -0.287 175.847 176.094 0.068 0.000 1.287 573 V CA -0.251 62.205 62.300 0.261 0.000 1.066 573 V CB 1.489 33.469 31.823 0.261 0.000 1.105 573 V HN 0.623 nan 8.190 nan 0.000 0.462 574 G N -0.048 108.473 108.800 -0.466 0.000 2.550 574 G HA2 0.721 4.681 3.960 -0.000 0.000 0.293 574 G HA3 0.721 4.681 3.960 -0.000 0.000 0.293 574 G C -1.922 172.309 174.900 -1.116 0.000 1.402 574 G CA -1.144 43.360 45.100 -0.993 0.000 0.784 574 G HN 0.842 nan 8.290 nan 0.000 0.482 575 R N -0.379 119.686 120.500 -0.724 0.000 2.628 575 R HA 0.582 4.922 4.340 -0.000 0.000 0.288 575 R C -0.588 175.520 176.300 -0.320 0.000 0.980 575 R CA -0.706 55.017 56.100 -0.628 0.000 0.891 575 R CB 2.569 32.341 30.300 -0.880 0.000 1.188 575 R HN 0.575 nan 8.270 nan 0.000 0.450 576 M N 4.641 124.050 119.600 -0.319 0.000 2.205 576 M HA 0.427 4.906 4.480 -0.000 0.000 0.344 576 M C -1.575 174.511 176.300 -0.357 0.000 1.085 576 M CA -0.601 54.299 55.300 -0.667 0.000 1.001 576 M CB 0.922 33.187 32.600 -0.560 0.000 1.626 576 M HN 0.506 nan 8.290 nan 0.000 0.442 577 L N 6.040 127.056 121.223 -0.346 0.000 2.272 577 L HA 0.537 4.877 4.340 -0.000 0.000 0.289 577 L C -0.946 175.880 176.870 -0.072 0.000 1.032 577 L CA -0.942 53.794 54.840 -0.173 0.000 0.810 577 L CB 1.544 43.510 42.059 -0.155 0.000 1.205 577 L HN 0.460 nan 8.230 nan 0.000 0.422 578 V N 3.323 123.252 119.914 0.025 0.000 2.347 578 V HA 0.263 4.383 4.120 -0.000 0.000 0.280 578 V C 0.082 176.213 176.094 0.063 0.000 1.021 578 V CA -0.671 61.685 62.300 0.094 0.000 0.847 578 V CB 1.392 33.364 31.823 0.247 0.000 0.990 578 V HN 0.805 nan 8.190 nan 0.000 0.444 579 E N 3.961 124.188 120.200 0.044 0.000 2.222 579 E HA 0.794 5.144 4.350 -0.000 0.000 0.272 579 E C -0.142 176.482 176.600 0.040 0.000 0.982 579 E CA -0.958 55.460 56.400 0.030 0.000 0.842 579 E CB 1.821 31.530 29.700 0.014 0.000 1.144 579 E HN 0.651 nan 8.360 nan 0.000 0.397 580 A N 1.691 124.531 122.820 0.032 0.000 2.546 580 A HA 0.369 4.689 4.320 -0.000 0.000 0.243 580 A C 0.517 178.118 177.584 0.028 0.000 1.063 580 A CA 0.345 52.401 52.037 0.032 0.000 0.757 580 A CB -0.133 18.881 19.000 0.024 0.000 0.991 580 A HN 0.765 nan 8.150 nan 0.000 0.503 581 A N 0.000 122.838 122.820 0.030 0.000 2.254 581 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 581 A CA 0.000 52.052 52.037 0.025 0.000 0.836 581 A CB 0.000 19.016 19.000 0.026 0.000 0.831 581 A HN 0.000 nan 8.150 nan 0.000 0.486