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 1lrw_1_A DATA FIRST_RESID 1 DATA SEQUENCE NDQLVELAKD PANWVMTGRD YNAQNYSEMT DINKENVKQL RPAWSFSTGV DATA SEQUENCE LHGHEGTPLV VGDRMFIHTP FPNTTFALDL NEPGKILWQN KPKQNPTART DATA SEQUENCE VACCDVVNRG LAYWPGDDQV KPLIFRTQLD GHIVAMDAET GETRWIMENS DATA SEQUENCE DIKVGSTLTI APYVIKDLVL VGSSGAELGV RGYVTAYDVK SGEMRWRAFA DATA SEQUENCE TGPDEELLLA EDFNAPNPHY GQKNLGLETW EGDAWKIGGG TNWGWYAYDP DATA SEQUENCE EVDLFYYGSG NPAPWNETMR PGDNKWTMAI WGREATTGEA KFAYQKTPHD DATA SEQUENCE EWDYAGVNVM MLSEQEDKQG QMRKLLTHPD RNGIVYTLDR TNGDLISADK DATA SEQUENCE MDDTVNWVKE VQLDTGLPVR DPEFGTRMDH KARDIcPSAM GYHNQGHDSY DATA SEQUENCE DPERKVFMLG INHIcMDWEP FMLPYRAGQF FVGATLTMYP GPKGDRGNAS DATA SEQUENCE GLGQIKAYDA ISGEMKWEKM ERFSVWGGTM ATAGGLTFYA TLDGFIKARD DATA SEQUENCE SDTGDLLWKF KLPSGVIGHP MTYKHDGRQY VAIMYGVGGW PGVGLVFDLA DATA SEQUENCE DPTAGLGSVG AFKRLQEFTQ MGGGVMVFSL DGESPYSDPN VGEYAPGEPT 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 1 N HA 0.000 nan 4.740 nan 0.000 0.220 1 N C 0.000 175.639 175.510 0.215 0.000 1.280 1 N CA 0.000 53.160 53.050 0.183 0.000 0.885 1 N CB 0.000 38.607 38.487 0.200 0.000 1.341 2 D N 1.525 122.012 120.400 0.146 0.000 2.117 2 D HA -0.140 4.500 4.640 -0.001 0.000 0.198 2 D C 1.166 177.537 176.300 0.118 0.000 0.982 2 D CA 1.494 55.573 54.000 0.131 0.000 0.828 2 D CB 0.199 41.054 40.800 0.091 0.000 0.967 2 D HN 0.659 nan 8.370 nan 0.000 0.464 3 Q N -0.209 119.635 119.800 0.073 0.000 2.170 3 Q HA -0.117 4.223 4.340 -0.001 0.000 0.203 3 Q C 2.023 178.070 176.000 0.078 0.000 0.976 3 Q CA 0.534 56.363 55.803 0.044 0.000 0.858 3 Q CB -0.041 28.677 28.738 -0.034 0.000 0.907 3 Q HN 0.159 nan 8.270 nan 0.000 0.433 4 L N 0.226 121.518 121.223 0.116 0.000 2.093 4 L HA -0.120 4.219 4.340 -0.001 0.000 0.208 4 L C 2.253 179.212 176.870 0.148 0.000 1.085 4 L CA 1.333 56.254 54.840 0.135 0.000 0.755 4 L CB -0.638 41.514 42.059 0.154 0.000 0.904 4 L HN 0.225 nan 8.230 nan 0.000 0.435 5 V N -1.979 118.075 119.914 0.233 0.000 2.453 5 V HA -0.147 3.973 4.120 -0.001 0.000 0.247 5 V C 2.379 178.556 176.094 0.138 0.000 1.048 5 V CA 1.400 63.836 62.300 0.226 0.000 1.049 5 V CB -0.328 31.660 31.823 0.275 0.000 0.672 5 V HN 0.394 nan 8.190 nan 0.000 0.457 6 E N 0.598 120.869 120.200 0.117 0.000 2.077 6 E HA -0.117 4.233 4.350 -0.001 0.000 0.193 6 E C 2.165 178.812 176.600 0.079 0.000 0.989 6 E CA 1.883 58.335 56.400 0.087 0.000 0.800 6 E CB -0.407 29.336 29.700 0.072 0.000 0.746 6 E HN 0.673 nan 8.360 nan 0.000 0.452 7 L N 0.060 121.333 121.223 0.083 0.000 2.201 7 L HA -0.080 4.260 4.340 -0.001 0.000 0.212 7 L C 2.310 179.221 176.870 0.069 0.000 1.105 7 L CA 0.820 55.707 54.840 0.080 0.000 0.775 7 L CB -0.323 41.796 42.059 0.099 0.000 0.913 7 L HN 0.035 nan 8.230 nan 0.000 0.440 8 A N -0.095 122.761 122.820 0.060 0.000 2.066 8 A HA -0.139 4.181 4.320 -0.001 0.000 0.218 8 A C 2.179 179.792 177.584 0.049 0.000 1.157 8 A CA 0.989 53.045 52.037 0.032 0.000 0.670 8 A CB -0.207 18.800 19.000 0.011 0.000 0.804 8 A HN 0.299 nan 8.150 nan 0.000 0.453 9 K N -0.071 120.369 120.400 0.066 0.000 2.362 9 K HA -0.069 4.251 4.320 -0.001 0.000 0.200 9 K C -0.112 176.528 176.600 0.066 0.000 1.046 9 K CA 0.603 56.931 56.287 0.068 0.000 0.952 9 K CB 0.026 32.567 32.500 0.069 0.000 0.753 9 K HN 0.361 nan 8.250 nan 0.000 0.466 10 D N 0.632 121.073 120.400 0.069 0.000 2.274 10 D HA 0.097 4.737 4.640 -0.001 0.000 0.239 10 D C -2.129 174.226 176.300 0.091 0.000 1.104 10 D CA -2.625 51.420 54.000 0.074 0.000 0.840 10 D CB 1.654 42.498 40.800 0.074 0.000 1.100 10 D HN -0.199 nan 8.370 nan 0.000 0.477 11 P HA -0.012 nan 4.420 nan 0.000 0.236 11 P C 0.699 178.102 177.300 0.172 0.000 1.172 11 P CA 0.537 63.709 63.100 0.119 0.000 0.759 11 P CB 0.278 32.031 31.700 0.088 0.000 0.843 12 A N -0.602 122.312 122.820 0.157 0.000 1.930 12 A HA -0.089 4.230 4.320 -0.001 0.000 0.217 12 A C 0.852 178.576 177.584 0.234 0.000 1.175 12 A CA 1.129 53.283 52.037 0.194 0.000 0.627 12 A CB -0.876 18.205 19.000 0.136 0.000 0.815 12 A HN 0.333 nan 8.150 nan 0.000 0.443 13 N N -2.958 115.856 118.700 0.191 0.000 2.402 13 N HA 0.487 5.227 4.740 -0.001 0.000 0.294 13 N C -0.860 174.808 175.510 0.262 0.000 1.203 13 N CA -0.598 52.566 53.050 0.190 0.000 0.838 13 N CB 0.921 39.469 38.487 0.103 0.000 1.306 13 N HN 0.357 nan 8.380 nan 0.000 0.510 14 W N 2.050 123.385 121.300 0.059 0.000 2.387 14 W HA 0.263 4.922 4.660 -0.000 0.000 0.285 14 W C -0.082 176.467 176.519 0.050 0.000 1.011 14 W CA -0.903 56.488 57.345 0.077 0.000 1.576 14 W CB 0.830 30.349 29.460 0.098 0.000 1.540 14 W HN 0.539 nan 8.180 nan 0.000 0.383 15 V N 2.872 122.851 119.914 0.109 0.000 3.380 15 V HA 0.104 4.224 4.120 -0.001 0.000 0.268 15 V C 0.553 176.727 176.094 0.133 0.000 1.168 15 V CA 1.313 63.671 62.300 0.097 0.000 1.156 15 V CB -0.795 31.073 31.823 0.075 0.000 0.785 15 V HN 0.426 nan 8.190 nan 0.000 0.487 16 M N -1.852 117.818 119.600 0.117 0.000 2.813 16 M HA 0.476 4.955 4.480 -0.001 0.000 0.270 16 M C 1.000 177.517 176.300 0.363 0.000 1.267 16 M CA -0.056 55.359 55.300 0.191 0.000 0.822 16 M CB 1.025 33.628 32.600 0.005 0.000 1.671 16 M HN 0.030 nan 8.290 nan 0.000 0.468 17 T N -1.231 113.624 114.554 0.501 0.000 2.565 17 T HA -0.138 4.211 4.350 -0.001 0.000 0.265 17 T C 1.341 176.288 174.700 0.412 0.000 1.082 17 T CA 2.060 64.509 62.100 0.582 0.000 1.173 17 T CB -1.337 67.953 68.868 0.703 0.000 0.864 17 T HN 0.994 nan 8.240 nan 0.000 0.425 18 G N 0.321 109.230 108.800 0.180 0.000 3.678 18 G HA2 0.476 4.435 3.960 -0.001 0.000 0.287 18 G HA3 0.476 4.435 3.960 -0.001 0.000 0.287 18 G C 0.607 175.377 174.900 -0.217 0.000 1.280 18 G CA 0.277 45.332 45.100 -0.074 0.000 1.118 18 G HN 0.751 nan 8.290 nan 0.000 0.563 19 R N -0.746 119.382 120.500 -0.619 0.000 1.680 19 R HA -0.272 4.068 4.340 -0.001 0.000 0.092 19 R C 0.150 176.138 176.300 -0.520 0.000 0.930 19 R CA 2.512 57.842 56.100 -1.283 0.000 1.943 19 R CB -1.540 27.806 30.300 -1.589 0.000 0.490 19 R HN 0.573 nan 8.270 nan 0.000 0.707 20 D N -2.857 117.398 120.400 -0.242 0.000 2.636 20 D HA 0.159 4.799 4.640 -0.001 0.000 0.275 20 D C 0.306 176.638 176.300 0.053 0.000 1.130 20 D CA -0.466 53.469 54.000 -0.108 0.000 1.031 20 D CB -0.398 40.394 40.800 -0.015 0.000 1.451 20 D HN 0.017 nan 8.370 nan 0.000 0.505 21 Y N -0.022 120.416 120.300 0.230 0.000 2.384 21 Y HA -0.050 4.500 4.550 -0.001 0.000 0.289 21 Y C 1.682 177.785 175.900 0.338 0.000 1.152 21 Y CA 1.139 59.455 58.100 0.359 0.000 1.258 21 Y CB -0.444 38.241 38.460 0.374 0.000 0.979 21 Y HN 0.355 nan 8.280 nan 0.000 0.549 22 N N 0.109 119.029 118.700 0.366 0.000 2.467 22 N HA 0.076 4.815 4.740 -0.001 0.000 0.184 22 N C 0.756 176.431 175.510 0.275 0.000 1.106 22 N CA 0.880 54.100 53.050 0.285 0.000 0.892 22 N CB -0.177 38.434 38.487 0.207 0.000 0.969 22 N HN 0.152 nan 8.380 nan 0.000 0.454 23 A N 0.970 123.969 122.820 0.297 0.000 2.362 23 A HA -0.245 4.074 4.320 -0.001 0.000 0.290 23 A C 0.914 178.692 177.584 0.325 0.000 1.441 23 A CA 0.819 53.053 52.037 0.327 0.000 0.743 23 A CB -2.046 17.165 19.000 0.351 0.000 1.125 23 A HN 0.506 nan 8.150 nan 0.000 0.378 24 Q N -0.399 119.566 119.800 0.275 0.000 2.280 24 Q HA 0.175 4.514 4.340 -0.001 0.000 0.228 24 Q C 0.685 176.883 176.000 0.331 0.000 0.857 24 Q CA 0.221 56.215 55.803 0.319 0.000 0.939 24 Q CB 0.285 29.206 28.738 0.305 0.000 1.114 24 Q HN 0.907 nan 8.270 nan 0.000 0.514 25 N N 0.323 119.167 118.700 0.242 0.000 2.727 25 N HA -0.251 4.489 4.740 -0.001 0.000 0.249 25 N C -1.356 174.380 175.510 0.376 0.000 1.048 25 N CA 0.255 53.487 53.050 0.303 0.000 0.714 25 N CB -0.707 37.998 38.487 0.363 0.000 0.959 25 N HN 0.309 nan 8.380 nan 0.000 0.544 26 Y N 0.167 120.549 120.300 0.137 0.000 2.409 26 Y HA 0.505 5.055 4.550 -0.001 0.000 0.343 26 Y C -0.461 175.507 175.900 0.113 0.000 0.973 26 Y CA -0.610 57.572 58.100 0.137 0.000 1.064 26 Y CB 1.807 40.319 38.460 0.086 0.000 1.207 26 Y HN -0.029 nan 8.280 nan 0.000 0.452 27 S N 3.547 118.969 115.700 -0.465 0.000 2.482 27 S HA 0.300 4.770 4.470 -0.001 0.000 0.303 27 S C 0.122 174.404 174.600 -0.531 0.000 1.091 27 S CA -0.635 57.392 58.200 -0.288 0.000 1.057 27 S CB 1.174 64.342 63.200 -0.052 0.000 1.031 27 S HN 0.912 nan 8.310 nan 0.000 0.485 28 E N 2.899 122.987 120.200 -0.187 0.000 2.481 28 E HA 0.077 4.426 4.350 -0.001 0.000 0.195 28 E C 0.056 176.621 176.600 -0.059 0.000 1.047 28 E CA 0.336 56.690 56.400 -0.077 0.000 0.867 28 E CB 0.079 29.813 29.700 0.057 0.000 0.858 28 E HN 0.614 nan 8.360 nan 0.000 0.513 29 M N 0.712 120.274 119.600 -0.064 0.000 2.245 29 M HA -0.001 4.479 4.480 -0.001 0.000 0.344 29 M C 0.872 177.148 176.300 -0.039 0.000 1.170 29 M CA 0.772 56.051 55.300 -0.034 0.000 1.135 29 M CB 0.683 33.269 32.600 -0.023 0.000 1.574 29 M HN -0.058 nan 8.290 nan 0.000 0.452 30 T N -3.895 110.645 114.554 -0.024 0.000 3.058 30 T HA 0.135 4.485 4.350 -0.001 0.000 0.278 30 T C 0.545 175.229 174.700 -0.026 0.000 0.974 30 T CA -0.415 61.674 62.100 -0.018 0.000 0.893 30 T CB -0.014 68.849 68.868 -0.008 0.000 1.138 30 T HN 0.501 nan 8.240 nan 0.000 0.529 31 D N 2.462 122.839 120.400 -0.039 0.000 2.116 31 D HA -0.010 4.630 4.640 -0.001 0.000 0.193 31 D C 0.633 176.895 176.300 -0.063 0.000 0.998 31 D CA 1.057 55.023 54.000 -0.057 0.000 0.836 31 D CB -0.220 40.532 40.800 -0.079 0.000 0.951 31 D HN 0.503 nan 8.370 nan 0.000 0.449 32 I N 1.206 121.741 120.570 -0.058 0.000 2.325 32 I HA 0.203 4.373 4.170 -0.001 0.000 0.291 32 I C 0.050 176.162 176.117 -0.008 0.000 1.019 32 I CA -0.571 60.700 61.300 -0.048 0.000 1.302 32 I CB 0.750 38.727 38.000 -0.039 0.000 1.401 32 I HN 0.029 nan 8.210 nan 0.000 0.485 33 N N 4.210 122.893 118.700 -0.028 0.000 3.278 33 N HA 0.368 5.108 4.740 -0.001 0.000 0.307 33 N C 0.049 175.533 175.510 -0.044 0.000 1.551 33 N CA -1.008 52.028 53.050 -0.023 0.000 0.794 33 N CB 0.784 39.259 38.487 -0.020 0.000 1.770 33 N HN 0.177 nan 8.380 nan 0.000 0.612 34 K N -0.099 120.276 120.400 -0.041 0.000 2.063 34 K HA -0.141 4.179 4.320 -0.001 0.000 0.208 34 K C 1.107 177.681 176.600 -0.043 0.000 1.048 34 K CA 1.678 57.936 56.287 -0.049 0.000 0.928 34 K CB -0.206 32.270 32.500 -0.041 0.000 0.713 34 K HN 0.537 nan 8.250 nan 0.000 0.442 35 E N 0.802 120.980 120.200 -0.037 0.000 2.031 35 E HA -0.178 4.171 4.350 -0.001 0.000 0.193 35 E C 1.393 177.969 176.600 -0.040 0.000 0.994 35 E CA 1.560 57.940 56.400 -0.033 0.000 0.800 35 E CB -0.142 29.541 29.700 -0.029 0.000 0.752 35 E HN 0.557 nan 8.360 nan 0.000 0.447 36 N N 0.006 118.673 118.700 -0.055 0.000 2.230 36 N HA 0.016 4.756 4.740 -0.001 0.000 0.202 36 N C 1.454 176.893 175.510 -0.117 0.000 1.119 36 N CA -0.110 52.896 53.050 -0.073 0.000 0.851 36 N CB 0.777 39.220 38.487 -0.073 0.000 0.990 36 N HN -0.097 nan 8.380 nan 0.000 0.497 37 V N 1.583 121.423 119.914 -0.124 0.000 2.913 37 V HA -0.151 3.969 4.120 -0.001 0.000 0.260 37 V C 1.868 177.788 176.094 -0.290 0.000 1.098 37 V CA 1.560 63.728 62.300 -0.220 0.000 1.121 37 V CB -0.484 31.245 31.823 -0.156 0.000 0.714 37 V HN 0.282 nan 8.190 nan 0.000 0.487 38 K N -0.330 120.005 120.400 -0.108 0.000 2.283 38 K HA -0.128 4.192 4.320 -0.001 0.000 0.202 38 K C 1.650 178.232 176.600 -0.030 0.000 1.048 38 K CA 1.285 57.576 56.287 0.007 0.000 0.948 38 K CB -0.100 32.426 32.500 0.044 0.000 0.742 38 K HN 0.592 nan 8.250 nan 0.000 0.458 39 Q N 0.663 120.392 119.800 -0.118 0.000 2.246 39 Q HA 0.102 4.441 4.340 -0.001 0.000 0.202 39 Q C -0.481 175.417 176.000 -0.170 0.000 0.883 39 Q CA -0.341 55.408 55.803 -0.089 0.000 0.952 39 Q CB 0.256 28.952 28.738 -0.070 0.000 1.078 39 Q HN 0.068 nan 8.270 nan 0.000 0.493 40 L N 1.785 122.759 121.223 -0.416 0.000 2.477 40 L HA 0.145 4.485 4.340 -0.001 0.000 0.272 40 L C -0.398 176.388 176.870 -0.139 0.000 1.157 40 L CA 0.745 55.273 54.840 -0.520 0.000 0.889 40 L CB 0.161 41.455 42.059 -1.275 0.000 1.158 40 L HN -0.036 nan 8.230 nan 0.000 0.473 41 R N 4.572 125.081 120.500 0.015 0.000 2.837 41 R HA 0.594 4.934 4.340 -0.001 0.000 0.271 41 R C -2.591 173.670 176.300 -0.066 0.000 0.993 41 R CA -2.168 53.979 56.100 0.078 0.000 0.931 41 R CB 1.519 31.825 30.300 0.009 0.000 1.206 41 R HN 0.303 nan 8.270 nan 0.000 0.474 42 P HA 0.125 nan 4.420 nan 0.000 0.271 42 P C -0.616 176.484 177.300 -0.334 0.000 1.226 42 P CA 0.264 62.894 63.100 -0.784 0.000 0.765 42 P CB 1.261 32.465 31.700 -0.827 0.000 0.835 43 A N 4.879 127.538 122.820 -0.268 0.000 1.911 43 A HA 0.201 4.521 4.320 -0.001 0.000 0.212 43 A C 0.175 177.898 177.584 0.231 0.000 1.189 43 A CA 0.809 52.881 52.037 0.058 0.000 0.639 43 A CB -0.175 18.990 19.000 0.275 0.000 0.839 43 A HN 0.703 nan 8.150 nan 0.000 0.449 44 W N -2.368 118.895 121.300 -0.062 0.000 2.929 44 W HA 0.543 5.203 4.660 -0.001 0.000 0.363 44 W C -1.110 175.387 176.519 -0.038 0.000 1.168 44 W CA -0.167 57.169 57.345 -0.015 0.000 1.163 44 W CB 0.059 29.559 29.460 0.066 0.000 1.455 44 W HN 0.483 nan 8.180 nan 0.000 0.568 45 S N 0.403 116.296 115.700 0.323 0.000 2.638 45 S HA 0.898 5.367 4.470 -0.001 0.000 0.274 45 S C -1.815 173.040 174.600 0.425 0.000 1.157 45 S CA -0.730 57.581 58.200 0.186 0.000 0.826 45 S CB 3.176 66.425 63.200 0.083 0.000 1.139 45 S HN 0.950 nan 8.310 nan 0.000 0.474 46 F N 1.037 121.058 119.950 0.117 0.000 2.630 46 F HA 0.652 5.179 4.527 -0.000 0.000 0.325 46 F C -0.561 175.200 175.800 -0.065 0.000 1.184 46 F CA -0.265 57.762 58.000 0.045 0.000 1.011 46 F CB 1.945 40.991 39.000 0.076 0.000 1.268 46 F HN 0.815 nan 8.300 nan 0.000 0.480 47 S N 2.622 117.870 115.700 -0.753 0.000 2.562 47 S HA 0.331 4.801 4.470 -0.001 0.000 0.275 47 S C 1.047 174.982 174.600 -1.108 0.000 1.281 47 S CA 0.202 58.008 58.200 -0.658 0.000 1.045 47 S CB 1.114 64.082 63.200 -0.386 0.000 0.962 47 S HN 0.844 nan 8.310 nan 0.000 0.503 48 T N 1.336 115.548 114.554 -0.570 0.000 3.113 48 T HA 0.275 4.625 4.350 -0.001 0.000 0.256 48 T C 1.496 176.129 174.700 -0.111 0.000 1.131 48 T CA 0.595 62.513 62.100 -0.304 0.000 1.074 48 T CB -0.443 68.529 68.868 0.174 0.000 0.944 48 T HN 1.554 nan 8.240 nan 0.000 0.516 49 G N 0.229 108.937 108.800 -0.153 0.000 2.162 49 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.260 49 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.260 49 G C 0.063 174.999 174.900 0.060 0.000 0.976 49 G CA 0.183 45.263 45.100 -0.034 0.000 0.655 49 G HN 1.016 nan 8.290 nan 0.000 0.533 50 V N 0.180 120.158 119.914 0.107 0.000 2.971 50 V HA 0.800 4.920 4.120 -0.001 0.000 0.309 50 V C 0.383 176.615 176.094 0.230 0.000 1.130 50 V CA -0.883 61.515 62.300 0.165 0.000 0.964 50 V CB 1.937 33.867 31.823 0.177 0.000 1.029 50 V HN 0.302 nan 8.190 nan 0.000 0.427 51 L N 4.172 125.531 121.223 0.227 0.000 2.874 51 L HA 0.758 5.098 4.340 -0.001 0.000 0.229 51 L C 0.084 177.166 176.870 0.353 0.000 1.200 51 L CA -0.874 54.092 54.840 0.211 0.000 0.976 51 L CB 0.393 42.499 42.059 0.078 0.000 1.887 51 L HN 0.792 nan 8.230 nan 0.000 0.543 52 H N -1.377 117.745 119.070 0.088 0.000 4.650 52 H HA -0.126 4.430 4.556 -0.001 0.000 0.249 52 H C 0.039 175.475 175.328 0.180 0.000 0.618 52 H CA 0.477 56.563 56.048 0.063 0.000 0.945 52 H CB -0.628 29.160 29.762 0.043 0.000 1.047 52 H HN 0.858 nan 8.280 nan 0.000 0.313 53 G N 1.241 110.197 108.800 0.259 0.000 2.138 53 G HA2 0.093 4.053 3.960 -0.001 0.000 0.244 53 G HA3 0.093 4.053 3.960 -0.001 0.000 0.244 53 G C -0.247 174.797 174.900 0.240 0.000 1.166 53 G CA 0.227 45.475 45.100 0.248 0.000 0.902 53 G HN 0.498 nan 8.290 nan 0.000 0.460 54 H N 1.764 120.913 119.070 0.131 0.000 2.572 54 H HA 0.266 4.822 4.556 -0.001 0.000 0.248 54 H C 0.508 175.945 175.328 0.183 0.000 1.397 54 H CA -0.379 55.731 56.048 0.103 0.000 1.319 54 H CB 0.462 30.220 29.762 -0.007 0.000 1.452 54 H HN 0.631 nan 8.280 nan 0.000 0.535 55 E N 0.881 121.279 120.200 0.330 0.000 2.330 55 E HA 0.530 4.879 4.350 -0.001 0.000 0.256 55 E C 0.699 177.626 176.600 0.544 0.000 1.146 55 E CA -0.380 56.284 56.400 0.440 0.000 0.945 55 E CB 1.146 31.127 29.700 0.469 0.000 1.182 55 E HN 0.656 nan 8.360 nan 0.000 0.480 56 G N -0.150 109.018 108.800 0.614 0.000 2.750 56 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.228 56 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.228 56 G C -0.397 174.647 174.900 0.240 0.000 1.367 56 G CA -0.111 45.354 45.100 0.608 0.000 0.871 56 G HN 0.580 nan 8.290 nan 0.000 0.560 57 T N 1.599 116.221 114.554 0.113 0.000 2.896 57 T HA 0.753 5.103 4.350 -0.001 0.000 0.297 57 T C -2.546 172.202 174.700 0.081 0.000 1.108 57 T CA -0.299 61.730 62.100 -0.120 0.000 1.004 57 T CB 2.123 70.601 68.868 -0.649 0.000 1.159 57 T HN 0.681 nan 8.240 nan 0.000 0.499 58 P HA 0.358 nan 4.420 nan 0.000 0.274 58 P C -0.944 176.353 177.300 -0.004 0.000 1.237 58 P CA -0.434 62.688 63.100 0.036 0.000 0.793 58 P CB 0.757 32.420 31.700 -0.061 0.000 0.977 59 L N 1.174 122.482 121.223 0.140 0.000 2.317 59 L HA 0.481 4.821 4.340 -0.001 0.000 0.281 59 L C -0.108 176.844 176.870 0.136 0.000 1.024 59 L CA -1.120 53.852 54.840 0.221 0.000 0.810 59 L CB 1.985 44.231 42.059 0.311 0.000 1.240 59 L HN 0.090 nan 8.230 nan 0.000 0.427 60 V N 3.829 123.790 119.914 0.079 0.000 2.487 60 V HA 0.466 4.585 4.120 -0.001 0.000 0.298 60 V C -0.375 175.719 176.094 -0.000 0.000 1.028 60 V CA -0.543 61.700 62.300 -0.095 0.000 0.860 60 V CB 2.307 33.924 31.823 -0.344 0.000 0.991 60 V HN 0.438 nan 8.190 nan 0.000 0.427 61 V N 4.758 124.652 119.914 -0.034 0.000 2.501 61 V HA 0.768 4.888 4.120 -0.001 0.000 0.277 61 V C 0.693 176.783 176.094 -0.007 0.000 1.004 61 V CA 0.497 62.771 62.300 -0.044 0.000 0.862 61 V CB 0.612 32.298 31.823 -0.228 0.000 1.035 61 V HN 1.288 nan 8.190 nan 0.000 0.448 62 G N 4.606 113.427 108.800 0.034 0.000 2.523 62 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.271 62 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.271 62 G C 0.220 175.164 174.900 0.074 0.000 1.146 62 G CA 0.475 45.614 45.100 0.065 0.000 0.961 62 G HN 0.576 nan 8.290 nan 0.000 0.549 63 D N 2.196 122.621 120.400 0.042 0.000 2.336 63 D HA 0.229 4.869 4.640 -0.001 0.000 0.228 63 D C 1.113 177.289 176.300 -0.208 0.000 1.120 63 D CA 0.502 54.501 54.000 -0.001 0.000 0.839 63 D CB 0.200 41.031 40.800 0.051 0.000 0.932 63 D HN 0.368 nan 8.370 nan 0.000 0.509 64 R N 0.516 120.856 120.500 -0.266 0.000 2.621 64 R HA 0.506 4.846 4.340 -0.001 0.000 0.292 64 R C -0.473 175.425 176.300 -0.670 0.000 0.969 64 R CA -0.517 55.279 56.100 -0.506 0.000 0.887 64 R CB 2.721 32.689 30.300 -0.553 0.000 1.180 64 R HN -0.016 nan 8.270 nan 0.000 0.450 65 M N 3.771 122.922 119.600 -0.749 0.000 2.227 65 M HA 0.459 4.938 4.480 -0.001 0.000 0.335 65 M C -1.631 174.239 176.300 -0.716 0.000 1.053 65 M CA -0.553 54.379 55.300 -0.613 0.000 0.973 65 M CB 0.959 33.294 32.600 -0.442 0.000 1.623 65 M HN 0.486 nan 8.290 nan 0.000 0.434 66 F N 5.696 125.542 119.950 -0.174 0.000 2.420 66 F HA 0.549 5.075 4.527 -0.001 0.000 0.342 66 F C -0.300 175.476 175.800 -0.040 0.000 1.113 66 F CA -0.508 57.414 58.000 -0.129 0.000 1.059 66 F CB 1.092 40.080 39.000 -0.020 0.000 1.128 66 F HN 0.401 nan 8.300 nan 0.000 0.475 67 I N 4.321 124.957 120.570 0.110 0.000 2.418 67 I HA 0.221 4.391 4.170 -0.001 0.000 0.287 67 I C -0.273 175.984 176.117 0.233 0.000 1.008 67 I CA -0.828 60.561 61.300 0.149 0.000 1.104 67 I CB 1.180 39.216 38.000 0.060 0.000 1.264 67 I HN 0.617 nan 8.210 nan 0.000 0.438 68 H N 3.820 122.993 119.070 0.171 0.000 2.495 68 H HA 0.729 5.284 4.556 -0.001 0.000 0.350 68 H C -0.681 174.729 175.328 0.136 0.000 1.202 68 H CA -0.612 55.520 56.048 0.141 0.000 1.322 68 H CB 1.581 31.424 29.762 0.135 0.000 1.544 68 H HN 0.562 nan 8.280 nan 0.000 0.565 69 T N -1.796 112.794 114.554 0.060 0.000 2.864 69 T HA 0.437 4.787 4.350 -0.001 0.000 0.299 69 T C -3.004 171.670 174.700 -0.043 0.000 1.166 69 T CA -1.837 60.220 62.100 -0.072 0.000 1.007 69 T CB 2.321 71.221 68.868 0.054 0.000 1.219 69 T HN 0.467 nan 8.240 nan 0.000 0.506 70 P HA 0.262 nan 4.420 nan 0.000 0.286 70 P C 0.037 177.373 177.300 0.060 0.000 1.293 70 P CA -0.718 62.378 63.100 -0.007 0.000 0.770 70 P CB 0.277 31.955 31.700 -0.038 0.000 1.206 71 F N 2.040 121.967 119.950 -0.038 0.000 2.594 71 F HA -0.070 4.457 4.527 -0.001 0.000 0.384 71 F C -0.987 174.795 175.800 -0.030 0.000 1.060 71 F CA -0.613 57.364 58.000 -0.038 0.000 1.278 71 F CB -0.166 38.793 39.000 -0.068 0.000 0.977 71 F HN 0.250 nan 8.300 nan 0.000 0.576 72 P HA -0.071 nan 4.420 nan 0.000 0.258 72 P C -0.791 176.223 177.300 -0.476 0.000 1.403 72 P CA 0.323 62.790 63.100 -1.055 0.000 0.826 72 P CB -0.162 31.054 31.700 -0.808 0.000 1.414 73 N N -0.601 117.970 118.700 -0.214 0.000 2.740 73 N HA -0.127 4.613 4.740 -0.001 0.000 0.248 73 N C 0.165 175.609 175.510 -0.110 0.000 1.062 73 N CA 1.304 54.302 53.050 -0.088 0.000 0.704 73 N CB -2.394 36.070 38.487 -0.038 0.000 0.968 73 N HN 0.369 nan 8.380 nan 0.000 0.547 74 T N -0.602 113.857 114.554 -0.159 0.000 2.907 74 T HA 0.303 4.653 4.350 -0.001 0.000 0.298 74 T C 0.349 174.866 174.700 -0.306 0.000 1.017 74 T CA 0.218 62.164 62.100 -0.257 0.000 1.118 74 T CB 0.800 69.457 68.868 -0.353 0.000 0.948 74 T HN 0.177 nan 8.240 nan 0.000 0.531 75 T N 5.175 119.579 114.554 -0.250 0.000 2.829 75 T HA 0.604 4.954 4.350 -0.001 0.000 0.282 75 T C -0.832 173.660 174.700 -0.346 0.000 0.990 75 T CA -0.227 61.802 62.100 -0.118 0.000 1.028 75 T CB 0.364 69.323 68.868 0.151 0.000 0.951 75 T HN 0.516 nan 8.240 nan 0.000 0.460 76 F N 0.968 120.847 119.950 -0.118 0.000 2.538 76 F HA 0.705 5.232 4.527 -0.001 0.000 0.325 76 F C 0.213 175.564 175.800 -0.749 0.000 1.066 76 F CA -1.185 56.602 58.000 -0.355 0.000 0.946 76 F CB 1.645 40.511 39.000 -0.224 0.000 1.199 76 F HN 0.609 nan 8.300 nan 0.000 0.473 77 A N 3.397 125.701 122.820 -0.860 0.000 2.357 77 A HA 0.768 5.088 4.320 -0.001 0.000 0.295 77 A C -1.344 175.795 177.584 -0.743 0.000 1.121 77 A CA -0.518 50.851 52.037 -1.114 0.000 0.742 77 A CB 0.534 18.314 19.000 -2.033 0.000 1.181 77 A HN 0.733 nan 8.150 nan 0.000 0.454 78 L N 1.727 122.543 121.223 -0.680 0.000 2.322 78 L HA 0.408 4.748 4.340 -0.001 0.000 0.279 78 L C -0.262 176.302 176.870 -0.510 0.000 1.036 78 L CA -0.928 53.570 54.840 -0.570 0.000 0.807 78 L CB 1.638 43.340 42.059 -0.595 0.000 1.226 78 L HN 0.655 nan 8.230 nan 0.000 0.433 79 D N 2.692 122.839 120.400 -0.421 0.000 2.365 79 D HA 0.144 4.784 4.640 -0.001 0.000 0.237 79 D C 0.906 176.931 176.300 -0.458 0.000 1.190 79 D CA -0.054 53.732 54.000 -0.357 0.000 0.867 79 D CB 1.322 41.972 40.800 -0.249 0.000 1.050 79 D HN 0.443 nan 8.370 nan 0.000 0.491 80 L N 3.570 124.499 121.223 -0.490 0.000 2.265 80 L HA -0.132 4.208 4.340 -0.001 0.000 0.215 80 L C 1.877 178.370 176.870 -0.627 0.000 1.117 80 L CA 0.415 54.856 54.840 -0.665 0.000 0.782 80 L CB -0.188 41.372 42.059 -0.833 0.000 0.914 80 L HN 0.383 nan 8.230 nan 0.000 0.441 81 N N 1.171 119.653 118.700 -0.362 0.000 2.381 81 N HA -0.110 4.629 4.740 -0.001 0.000 0.182 81 N C 0.139 175.451 175.510 -0.329 0.000 1.025 81 N CA 0.909 53.839 53.050 -0.201 0.000 0.888 81 N CB 0.131 38.564 38.487 -0.090 0.000 0.965 81 N HN 0.596 nan 8.380 nan 0.000 0.438 82 E N -1.172 118.780 120.200 -0.413 0.000 2.721 82 E HA 0.138 4.488 4.350 -0.001 0.000 0.392 82 E C -2.595 173.759 176.600 -0.412 0.000 1.068 82 E CA -1.016 55.110 56.400 -0.457 0.000 0.744 82 E CB 1.003 30.576 29.700 -0.213 0.000 1.593 82 E HN -0.115 nan 8.360 nan 0.000 0.382 83 P HA -0.204 nan 4.420 nan 0.000 0.225 83 P C 1.236 178.280 177.300 -0.425 0.000 1.141 83 P CA 1.518 64.084 63.100 -0.889 0.000 0.774 83 P CB 0.138 30.535 31.700 -2.171 0.000 0.760 84 G N 0.092 108.820 108.800 -0.120 0.000 2.408 84 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.217 84 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.217 84 G C 0.769 175.638 174.900 -0.051 0.000 1.150 84 G CA 0.206 45.289 45.100 -0.027 0.000 0.776 84 G HN 0.304 nan 8.290 nan 0.000 0.542 85 K N 0.187 120.536 120.400 -0.085 0.000 2.218 85 K HA 0.451 4.771 4.320 -0.001 0.000 0.276 85 K C -0.688 175.835 176.600 -0.128 0.000 1.022 85 K CA -0.261 55.980 56.287 -0.075 0.000 0.946 85 K CB 1.915 34.376 32.500 -0.065 0.000 1.000 85 K HN 0.038 nan 8.250 nan 0.000 0.468 86 I N 4.837 125.364 120.570 -0.072 0.000 2.328 86 I HA 0.033 4.203 4.170 -0.001 0.000 0.287 86 I C 1.296 177.380 176.117 -0.055 0.000 1.012 86 I CA -0.279 60.964 61.300 -0.095 0.000 1.195 86 I CB 0.899 38.917 38.000 0.029 0.000 1.350 86 I HN 0.572 nan 8.210 nan 0.000 0.464 87 L N 6.665 127.807 121.223 -0.135 0.000 2.017 87 L HA -0.047 4.293 4.340 -0.001 0.000 0.208 87 L C 0.488 177.461 176.870 0.172 0.000 1.073 87 L CA 1.529 56.357 54.840 -0.020 0.000 0.745 87 L CB -0.180 41.833 42.059 -0.076 0.000 0.894 87 L HN 0.656 nan 8.230 nan 0.000 0.432 88 W N -0.506 120.812 121.300 0.029 0.000 2.989 88 W HA 0.502 5.162 4.660 -0.001 0.000 0.344 88 W C -1.783 174.783 176.519 0.078 0.000 1.233 88 W CA -0.938 56.435 57.345 0.047 0.000 1.187 88 W CB 0.946 30.421 29.460 0.025 0.000 1.443 88 W HN -0.033 nan 8.180 nan 0.000 0.573 89 Q N 1.369 121.465 119.800 0.493 0.000 2.268 89 Q HA 0.436 4.776 4.340 -0.001 0.000 0.266 89 Q C -2.217 173.904 176.000 0.201 0.000 1.006 89 Q CA -0.757 55.181 55.803 0.225 0.000 0.824 89 Q CB 2.659 31.423 28.738 0.043 0.000 1.306 89 Q HN 0.487 nan 8.270 nan 0.000 0.424 90 N N 2.022 120.814 118.700 0.154 0.000 2.511 90 N HA 0.233 4.973 4.740 -0.001 0.000 0.249 90 N C -1.502 173.954 175.510 -0.090 0.000 0.971 90 N CA -0.502 52.564 53.050 0.027 0.000 0.938 90 N CB 1.044 39.550 38.487 0.031 0.000 1.131 90 N HN 0.517 nan 8.380 nan 0.000 0.505 91 K N 5.045 125.383 120.400 -0.103 0.000 2.367 91 K HA 0.424 4.743 4.320 -0.001 0.000 0.263 91 K C -2.355 174.169 176.600 -0.128 0.000 1.000 91 K CA -1.745 54.460 56.287 -0.135 0.000 0.891 91 K CB 0.935 33.368 32.500 -0.112 0.000 1.117 91 K HN 0.425 nan 8.250 nan 0.000 0.443 92 P HA 0.240 nan 4.420 nan 0.000 0.279 92 P C -1.293 175.913 177.300 -0.157 0.000 1.276 92 P CA -0.638 62.369 63.100 -0.154 0.000 0.801 92 P CB 1.079 32.678 31.700 -0.168 0.000 1.127 93 K N 0.957 121.277 120.400 -0.133 0.000 2.394 93 K HA 0.351 4.670 4.320 -0.001 0.000 0.260 93 K C -0.040 176.511 176.600 -0.081 0.000 0.967 93 K CA -0.387 55.840 56.287 -0.100 0.000 0.855 93 K CB 1.627 34.087 32.500 -0.067 0.000 1.101 93 K HN 0.414 nan 8.250 nan 0.000 0.433 94 Q N 1.164 120.933 119.800 -0.051 0.000 2.399 94 Q HA 0.220 4.560 4.340 -0.001 0.000 0.276 94 Q C -0.842 175.257 176.000 0.165 0.000 1.098 94 Q CA -0.930 54.909 55.803 0.061 0.000 0.827 94 Q CB 2.370 31.164 28.738 0.094 0.000 1.386 94 Q HN 0.518 nan 8.270 nan 0.000 0.443 95 N N 2.551 121.355 118.700 0.174 0.000 2.399 95 N HA 0.076 4.816 4.740 -0.001 0.000 0.259 95 N C -1.587 174.028 175.510 0.174 0.000 1.160 95 N CA -1.537 51.597 53.050 0.140 0.000 0.946 95 N CB 0.763 39.306 38.487 0.093 0.000 1.156 95 N HN 0.315 nan 8.380 nan 0.000 0.489 96 P HA -0.153 nan 4.420 nan 0.000 0.223 96 P C 0.746 178.004 177.300 -0.071 0.000 1.140 96 P CA 1.146 64.290 63.100 0.074 0.000 0.783 96 P CB 0.153 31.908 31.700 0.091 0.000 0.759 97 T N -0.283 114.260 114.554 -0.019 0.000 2.962 97 T HA 0.009 4.359 4.350 -0.001 0.000 0.270 97 T C 1.977 176.632 174.700 -0.075 0.000 1.088 97 T CA 1.141 63.216 62.100 -0.042 0.000 1.127 97 T CB -0.435 68.425 68.868 -0.013 0.000 0.883 97 T HN 0.138 nan 8.240 nan 0.000 0.493 98 A N 2.025 124.801 122.820 -0.073 0.000 1.978 98 A HA -0.143 4.176 4.320 -0.001 0.000 0.220 98 A C 2.325 179.794 177.584 -0.192 0.000 1.170 98 A CA 1.286 53.273 52.037 -0.084 0.000 0.636 98 A CB -0.437 18.575 19.000 0.020 0.000 0.810 98 A HN 0.447 nan 8.150 nan 0.000 0.448 99 R N -1.026 119.261 120.500 -0.356 0.000 2.152 99 R HA -0.064 4.276 4.340 -0.001 0.000 0.232 99 R C 1.970 178.165 176.300 -0.175 0.000 1.117 99 R CA 1.565 57.444 56.100 -0.367 0.000 0.981 99 R CB -0.609 29.407 30.300 -0.475 0.000 0.870 99 R HN 0.463 nan 8.270 nan 0.000 0.451 100 T N 0.434 114.913 114.554 -0.126 0.000 2.867 100 T HA -0.054 4.295 4.350 -0.001 0.000 0.268 100 T C 1.574 176.281 174.700 0.013 0.000 1.057 100 T CA 1.378 63.445 62.100 -0.055 0.000 1.136 100 T CB 0.114 68.957 68.868 -0.041 0.000 0.874 100 T HN 0.214 nan 8.240 nan 0.000 0.466 101 V N -1.021 118.865 119.914 -0.047 0.000 3.444 101 V HA 0.668 4.788 4.120 -0.001 0.000 0.308 101 V C 0.654 176.686 176.094 -0.103 0.000 1.371 101 V CA -0.803 61.432 62.300 -0.108 0.000 1.141 101 V CB -0.990 30.735 31.823 -0.165 0.000 1.037 101 V HN 0.294 nan 8.190 nan 0.000 0.433 102 A N 0.345 123.145 122.820 -0.034 0.000 2.309 102 A HA 0.458 4.778 4.320 -0.001 0.000 0.290 102 A C 1.363 178.965 177.584 0.031 0.000 1.206 102 A CA 0.227 52.241 52.037 -0.038 0.000 0.850 102 A CB 0.445 19.419 19.000 -0.044 0.000 1.118 102 A HN 0.891 nan 8.150 nan 0.000 0.523 103 C N 0.442 119.738 119.300 -0.007 0.000 2.466 103 C HA 0.036 4.496 4.460 -0.001 0.000 0.278 103 C C 1.128 176.039 174.990 -0.132 0.000 1.288 103 C CA 0.796 59.827 59.018 0.021 0.000 1.722 103 C CB -1.429 26.268 27.740 -0.073 0.000 2.017 103 C HN 0.736 nan 8.230 nan 0.000 0.488 104 C N 2.111 121.324 119.300 -0.146 0.000 2.975 104 C HA 0.584 5.043 4.460 -0.001 0.000 0.234 104 C C -0.585 174.457 174.990 0.087 0.000 1.666 104 C CA -0.440 58.507 59.018 -0.118 0.000 1.534 104 C CB -2.336 25.232 27.740 -0.287 0.000 2.642 104 C HN 0.818 nan 8.230 nan 0.000 0.516 105 D N 0.151 120.656 120.400 0.176 0.000 10.694 105 D HA -0.168 4.471 4.640 -0.001 0.000 0.343 105 D C 0.202 176.609 176.300 0.178 0.000 3.140 105 D CA 0.931 55.113 54.000 0.304 0.000 2.670 105 D CB 0.133 41.119 40.800 0.310 0.000 1.232 105 D HN 0.683 nan 8.370 nan 0.000 0.946 106 V N 0.307 120.318 119.914 0.162 0.000 3.099 106 V HA 0.403 4.523 4.120 -0.001 0.000 0.387 106 V C 1.130 177.299 176.094 0.124 0.000 1.358 106 V CA 0.180 62.525 62.300 0.075 0.000 1.528 106 V CB -0.820 30.978 31.823 -0.042 0.000 1.342 106 V HN 0.631 nan 8.190 nan 0.000 0.513 107 V N -0.097 119.906 119.914 0.147 0.000 3.133 107 V HA 0.601 4.721 4.120 -0.001 0.000 0.305 107 V C -0.054 176.140 176.094 0.166 0.000 1.084 107 V CA -0.413 61.989 62.300 0.169 0.000 1.089 107 V CB 1.236 33.192 31.823 0.221 0.000 1.073 107 V HN 0.665 nan 8.190 nan 0.000 0.477 108 N N 0.332 119.155 118.700 0.204 0.000 2.336 108 N HA 0.451 5.191 4.740 -0.001 0.000 0.290 108 N C 0.184 175.863 175.510 0.282 0.000 1.058 108 N CA -0.740 52.438 53.050 0.214 0.000 0.865 108 N CB 2.095 40.720 38.487 0.229 0.000 1.581 108 N HN 0.631 nan 8.380 nan 0.000 0.480 109 R N 1.667 122.265 120.500 0.163 0.000 2.310 109 R HA 0.355 4.695 4.340 -0.001 0.000 0.202 109 R C 0.345 176.678 176.300 0.055 0.000 0.933 109 R CA 0.187 56.398 56.100 0.184 0.000 1.054 109 R CB 0.283 30.574 30.300 -0.015 0.000 0.985 109 R HN 0.637 nan 8.270 nan 0.000 0.489 110 G N 0.005 108.571 108.800 -0.389 0.000 2.361 110 G HA2 0.080 4.039 3.960 -0.001 0.000 0.305 110 G HA3 0.080 4.039 3.960 -0.001 0.000 0.305 110 G C -1.307 173.467 174.900 -0.210 0.000 1.367 110 G CA -1.049 43.676 45.100 -0.625 0.000 0.951 110 G HN -0.033 nan 8.290 nan 0.000 0.615 111 L N -0.139 121.061 121.223 -0.038 0.000 2.347 111 L HA 0.936 5.276 4.340 -0.001 0.000 0.268 111 L C 0.766 177.760 176.870 0.207 0.000 1.019 111 L CA -0.733 54.180 54.840 0.122 0.000 0.806 111 L CB 1.738 43.895 42.059 0.164 0.000 1.339 111 L HN 1.203 nan 8.230 nan 0.000 0.463 112 A N -0.116 122.843 122.820 0.232 0.000 2.556 112 A HA 0.666 4.986 4.320 -0.001 0.000 0.294 112 A C -2.119 175.668 177.584 0.338 0.000 1.091 112 A CA -0.354 51.836 52.037 0.255 0.000 0.704 112 A CB 1.593 20.704 19.000 0.185 0.000 1.300 112 A HN 0.591 nan 8.150 nan 0.000 0.406 113 Y N -0.072 120.313 120.300 0.142 0.000 2.406 113 Y HA 0.567 5.116 4.550 -0.001 0.000 0.340 113 Y C -1.478 174.569 175.900 0.246 0.000 0.975 113 Y CA -0.675 57.512 58.100 0.146 0.000 1.056 113 Y CB 1.622 40.095 38.460 0.022 0.000 1.210 113 Y HN 0.848 nan 8.280 nan 0.000 0.448 114 W N 10.252 131.327 121.300 -0.376 0.000 2.417 114 W HA 0.487 5.146 4.660 -0.001 0.000 0.315 114 W C -2.324 173.801 176.519 -0.657 0.000 1.045 114 W CA -2.988 54.187 57.345 -0.284 0.000 1.221 114 W CB 1.773 31.273 29.460 0.068 0.000 1.309 114 W HN 0.451 nan 8.180 nan 0.000 0.453 115 P HA -0.008 nan 4.420 nan 0.000 0.222 115 P C 0.499 177.266 177.300 -0.887 0.000 1.142 115 P CA 2.170 64.826 63.100 -0.740 0.000 0.788 115 P CB 0.015 31.463 31.700 -0.419 0.000 0.767 116 G N 0.464 108.206 108.800 -1.763 0.000 2.755 116 G HA2 0.011 3.970 3.960 -0.001 0.000 0.686 116 G HA3 0.011 3.970 3.960 -0.001 0.000 0.686 116 G C -0.831 173.536 174.900 -0.888 0.000 1.427 116 G CA -0.192 44.001 45.100 -1.511 0.000 0.873 116 G HN 0.384 nan 8.290 nan 0.000 0.580 117 D N -1.275 118.893 120.400 -0.387 0.000 2.846 117 D HA 0.504 5.144 4.640 -0.001 0.000 0.273 117 D C 0.154 176.452 176.300 -0.003 0.000 1.145 117 D CA -0.092 53.843 54.000 -0.108 0.000 1.091 117 D CB 0.005 40.840 40.800 0.059 0.000 1.364 117 D HN 0.659 nan 8.370 nan 0.000 0.613 118 D N -1.358 119.059 120.400 0.029 0.000 2.688 118 D HA 0.209 4.849 4.640 -0.001 0.000 0.228 118 D C 0.553 176.889 176.300 0.060 0.000 1.116 118 D CA -0.118 53.903 54.000 0.035 0.000 1.023 118 D CB 0.637 41.453 40.800 0.027 0.000 1.100 118 D HN 0.458 nan 8.370 nan 0.000 0.487 119 Q N 0.079 119.928 119.800 0.081 0.000 1.347 119 Q HA 0.029 4.368 4.340 -0.001 0.000 0.137 119 Q C -1.292 174.778 176.000 0.117 0.000 0.620 119 Q CA 0.144 56.002 55.803 0.091 0.000 0.630 119 Q CB 0.802 29.602 28.738 0.103 0.000 1.081 119 Q HN 0.223 nan 8.270 nan 0.000 0.330 120 V N 2.717 122.741 119.914 0.182 0.000 2.655 120 V HA 0.413 4.533 4.120 -0.001 0.000 0.301 120 V C -0.650 175.580 176.094 0.226 0.000 1.082 120 V CA -0.862 61.576 62.300 0.230 0.000 0.899 120 V CB 1.729 33.752 31.823 0.334 0.000 1.014 120 V HN 0.113 nan 8.190 nan 0.000 0.429 121 K N 3.613 124.089 120.400 0.126 0.000 2.230 121 K HA 0.284 4.604 4.320 -0.001 0.000 0.253 121 K C -2.401 174.240 176.600 0.069 0.000 1.008 121 K CA -1.315 55.007 56.287 0.058 0.000 0.910 121 K CB 0.282 32.808 32.500 0.044 0.000 0.994 121 K HN 0.363 nan 8.250 nan 0.000 0.495 122 P HA -0.101 nan 4.420 nan 0.000 0.264 122 P C -0.887 176.402 177.300 -0.018 0.000 1.173 122 P CA 0.836 63.864 63.100 -0.119 0.000 0.761 122 P CB 0.383 32.085 31.700 0.003 0.000 0.794 123 L N 3.265 124.457 121.223 -0.052 0.000 2.370 123 L HA 0.531 4.871 4.340 -0.001 0.000 0.266 123 L C -0.211 176.516 176.870 -0.239 0.000 1.002 123 L CA -1.011 53.734 54.840 -0.159 0.000 0.818 123 L CB 1.820 43.736 42.059 -0.238 0.000 1.325 123 L HN 0.203 nan 8.230 nan 0.000 0.418 124 I N 1.669 122.033 120.570 -0.344 0.000 2.441 124 I HA 0.415 4.585 4.170 -0.001 0.000 0.295 124 I C -0.656 175.193 176.117 -0.447 0.000 0.994 124 I CA -0.252 60.914 61.300 -0.223 0.000 1.144 124 I CB 1.682 39.591 38.000 -0.151 0.000 1.314 124 I HN 0.319 nan 8.210 nan 0.000 0.445 125 F N 5.423 125.326 119.950 -0.080 0.000 2.492 125 F HA 0.637 5.164 4.527 -0.001 0.000 0.327 125 F C 0.453 176.211 175.800 -0.070 0.000 1.079 125 F CA -0.657 57.263 58.000 -0.133 0.000 0.967 125 F CB 1.538 40.464 39.000 -0.124 0.000 1.169 125 F HN 0.334 nan 8.300 nan 0.000 0.472 126 R N 0.686 121.224 120.500 0.063 0.000 2.740 126 R HA 0.649 4.989 4.340 -0.001 0.000 0.273 126 R C -1.678 174.637 176.300 0.025 0.000 0.998 126 R CA -0.528 55.602 56.100 0.049 0.000 0.900 126 R CB 2.184 32.497 30.300 0.021 0.000 1.223 126 R HN 0.807 nan 8.270 nan 0.000 0.466 127 T N -0.316 114.264 114.554 0.042 0.000 2.912 127 T HA 0.489 4.838 4.350 -0.001 0.000 0.288 127 T C -0.423 174.307 174.700 0.050 0.000 1.030 127 T CA -0.815 61.306 62.100 0.036 0.000 1.020 127 T CB 2.080 70.973 68.868 0.042 0.000 1.056 127 T HN 0.556 nan 8.240 nan 0.000 0.480 128 Q N 0.969 120.807 119.800 0.063 0.000 2.351 128 Q HA 0.440 4.780 4.340 -0.001 0.000 0.273 128 Q C 0.647 176.717 176.000 0.116 0.000 1.077 128 Q CA -1.015 54.838 55.803 0.084 0.000 0.843 128 Q CB 2.517 31.305 28.738 0.083 0.000 1.367 128 Q HN 0.592 nan 8.270 nan 0.000 0.449 129 L N 2.062 123.386 121.223 0.170 0.000 2.079 129 L HA -0.200 4.140 4.340 -0.001 0.000 0.210 129 L C 1.534 178.492 176.870 0.146 0.000 1.081 129 L CA 2.301 57.248 54.840 0.178 0.000 0.752 129 L CB -0.323 41.916 42.059 0.301 0.000 0.896 129 L HN 0.812 nan 8.230 nan 0.000 0.433 130 D N -1.107 119.414 120.400 0.202 0.000 2.390 130 D HA 0.055 4.695 4.640 -0.001 0.000 0.235 130 D C 1.569 177.926 176.300 0.095 0.000 1.040 130 D CA 0.821 54.926 54.000 0.177 0.000 0.923 130 D CB -0.418 40.535 40.800 0.254 0.000 0.886 130 D HN 0.477 nan 8.370 nan 0.000 0.532 131 G N -0.689 108.142 108.800 0.052 0.000 2.195 131 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.224 131 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.224 131 G C -0.105 174.713 174.900 -0.136 0.000 0.990 131 G CA -0.069 44.997 45.100 -0.057 0.000 0.639 131 G HN 0.585 nan 8.290 nan 0.000 0.514 132 H N -0.356 118.718 119.070 0.007 0.000 2.511 132 H HA 0.656 5.211 4.556 -0.001 0.000 0.346 132 H C 0.085 175.380 175.328 -0.055 0.000 1.128 132 H CA -0.029 56.007 56.048 -0.021 0.000 1.342 132 H CB 1.773 31.519 29.762 -0.026 0.000 1.470 132 H HN 0.321 nan 8.280 nan 0.000 0.546 133 I N 3.623 124.202 120.570 0.015 0.000 2.404 133 I HA 0.439 4.609 4.170 -0.001 0.000 0.293 133 I C -1.020 175.004 176.117 -0.154 0.000 0.992 133 I CA -0.694 60.556 61.300 -0.083 0.000 1.149 133 I CB 0.972 38.850 38.000 -0.202 0.000 1.315 133 I HN 0.454 nan 8.210 nan 0.000 0.446 134 V N 5.181 124.942 119.914 -0.255 0.000 2.925 134 V HA 1.014 5.134 4.120 -0.001 0.000 0.311 134 V C -0.856 174.794 176.094 -0.739 0.000 1.104 134 V CA -0.274 61.734 62.300 -0.486 0.000 0.954 134 V CB 1.409 33.051 31.823 -0.302 0.000 1.022 134 V HN 1.129 nan 8.190 nan 0.000 0.427 135 A N 5.697 127.795 122.820 -1.203 0.000 2.337 135 A HA 1.006 5.326 4.320 -0.001 0.000 0.329 135 A C -0.539 176.530 177.584 -0.857 0.000 1.146 135 A CA -0.812 50.415 52.037 -1.350 0.000 0.800 135 A CB 1.452 19.335 19.000 -1.861 0.000 1.220 135 A HN 1.132 nan 8.150 nan 0.000 0.472 136 M N 1.132 120.304 119.600 -0.712 0.000 2.484 136 M HA 0.299 4.779 4.480 -0.001 0.000 0.289 136 M C -1.111 174.935 176.300 -0.425 0.000 1.206 136 M CA -0.661 54.339 55.300 -0.501 0.000 0.892 136 M CB 2.125 34.456 32.600 -0.448 0.000 1.712 136 M HN 0.791 nan 8.290 nan 0.000 0.462 137 D N 1.308 121.493 120.400 -0.359 0.000 2.458 137 D HA 0.309 4.949 4.640 -0.001 0.000 0.243 137 D C 0.809 176.976 176.300 -0.223 0.000 1.146 137 D CA 0.409 54.265 54.000 -0.240 0.000 0.877 137 D CB 1.381 42.056 40.800 -0.209 0.000 1.176 137 D HN 0.670 nan 8.370 nan 0.000 0.461 138 A N 3.695 126.509 122.820 -0.011 0.000 2.014 138 A HA -0.115 4.204 4.320 -0.001 0.000 0.218 138 A C 1.890 179.732 177.584 0.430 0.000 1.163 138 A CA 1.100 53.299 52.037 0.271 0.000 0.652 138 A CB -0.377 18.840 19.000 0.361 0.000 0.808 138 A HN 0.777 nan 8.150 nan 0.000 0.449 139 E N -0.816 119.496 120.200 0.188 0.000 2.028 139 E HA -0.118 4.232 4.350 -0.001 0.000 0.190 139 E C 2.201 178.847 176.600 0.077 0.000 0.984 139 E CA 1.728 58.241 56.400 0.188 0.000 0.800 139 E CB -0.090 29.664 29.700 0.091 0.000 0.758 139 E HN 0.779 nan 8.360 nan 0.000 0.448 140 T N -3.821 110.605 114.554 -0.212 0.000 3.037 140 T HA 0.239 4.589 4.350 -0.001 0.000 0.252 140 T C 1.548 175.641 174.700 -1.012 0.000 1.073 140 T CA 0.575 62.447 62.100 -0.380 0.000 1.091 140 T CB 0.805 69.537 68.868 -0.227 0.000 0.935 140 T HN 0.306 nan 8.240 nan 0.000 0.488 141 G N 2.418 110.360 108.800 -1.430 0.000 2.179 141 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.260 141 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.260 141 G C -0.154 174.196 174.900 -0.916 0.000 0.977 141 G CA 0.221 44.081 45.100 -2.066 0.000 0.641 141 G HN 1.002 nan 8.290 nan 0.000 0.533 142 E N 1.062 120.921 120.200 -0.568 0.000 2.338 142 E HA 0.474 4.824 4.350 -0.001 0.000 0.272 142 E C 0.008 176.416 176.600 -0.320 0.000 1.029 142 E CA -0.143 56.048 56.400 -0.347 0.000 0.872 142 E CB 0.526 30.085 29.700 -0.235 0.000 1.015 142 E HN 0.101 nan 8.360 nan 0.000 0.417 143 T N 2.982 117.376 114.554 -0.265 0.000 2.908 143 T HA -0.023 4.326 4.350 -0.001 0.000 0.301 143 T C 0.816 175.389 174.700 -0.213 0.000 1.019 143 T CA -0.059 61.884 62.100 -0.262 0.000 1.152 143 T CB 0.989 69.732 68.868 -0.208 0.000 0.966 143 T HN 0.577 nan 8.240 nan 0.000 0.540 144 R N 2.477 122.817 120.500 -0.265 0.000 2.103 144 R HA 0.150 4.489 4.340 -0.001 0.000 0.212 144 R C -0.014 176.313 176.300 0.046 0.000 1.107 144 R CA 0.360 56.386 56.100 -0.124 0.000 1.025 144 R CB 0.537 30.752 30.300 -0.143 0.000 0.929 144 R HN 0.831 nan 8.270 nan 0.000 0.456 145 W N -0.517 120.701 121.300 -0.136 0.000 3.066 145 W HA 0.512 5.171 4.660 -0.000 0.000 0.330 145 W C -1.865 174.592 176.519 -0.103 0.000 1.253 145 W CA -1.036 56.246 57.345 -0.105 0.000 1.187 145 W CB 0.670 30.077 29.460 -0.089 0.000 1.434 145 W HN -0.243 nan 8.180 nan 0.000 0.572 146 I N 2.810 123.560 120.570 0.300 0.000 2.722 146 I HA 0.468 4.638 4.170 -0.001 0.000 0.295 146 I C -0.573 175.727 176.117 0.305 0.000 1.161 146 I CA -1.032 60.375 61.300 0.178 0.000 1.032 146 I CB 2.237 40.252 38.000 0.026 0.000 1.244 146 I HN 0.218 nan 8.210 nan 0.000 0.421 147 M N 3.575 123.337 119.600 0.270 0.000 2.501 147 M HA 0.415 4.895 4.480 -0.001 0.000 0.293 147 M C -0.992 175.363 176.300 0.091 0.000 1.192 147 M CA -0.626 54.776 55.300 0.168 0.000 0.886 147 M CB 2.413 35.051 32.600 0.064 0.000 1.710 147 M HN 0.489 nan 8.290 nan 0.000 0.457 148 E N 1.022 121.243 120.200 0.035 0.000 2.229 148 E HA 0.195 4.545 4.350 -0.001 0.000 0.283 148 E C 0.190 176.778 176.600 -0.019 0.000 1.030 148 E CA -0.023 56.291 56.400 -0.144 0.000 0.836 148 E CB 1.231 30.859 29.700 -0.119 0.000 1.068 148 E HN 0.611 nan 8.360 nan 0.000 0.401 149 N N 1.184 119.861 118.700 -0.039 0.000 2.503 149 N HA 0.009 4.749 4.740 -0.001 0.000 0.210 149 N C -0.740 174.852 175.510 0.138 0.000 1.077 149 N CA 0.176 53.294 53.050 0.113 0.000 0.855 149 N CB 0.941 39.490 38.487 0.103 0.000 1.323 149 N HN 0.179 nan 8.380 nan 0.000 0.452 150 S N -0.018 115.701 115.700 0.032 0.000 2.557 150 S HA 0.230 4.700 4.470 -0.001 0.000 0.291 150 S C -1.857 172.745 174.600 0.004 0.000 1.116 150 S CA -0.805 57.437 58.200 0.069 0.000 0.992 150 S CB 1.867 65.086 63.200 0.032 0.000 1.028 150 S HN 0.211 nan 8.310 nan 0.000 0.484 151 D N 2.109 122.528 120.400 0.032 0.000 2.317 151 D HA 0.242 4.882 4.640 -0.001 0.000 0.234 151 D C 1.264 177.564 176.300 0.000 0.000 1.112 151 D CA -0.867 53.135 54.000 0.003 0.000 0.840 151 D CB 0.590 41.396 40.800 0.009 0.000 1.078 151 D HN 0.566 nan 8.370 nan 0.000 0.486 152 I N 1.037 121.602 120.570 -0.008 0.000 2.916 152 I HA -0.075 4.094 4.170 -0.001 0.000 0.267 152 I C 1.335 177.433 176.117 -0.033 0.000 1.263 152 I CA 0.428 61.716 61.300 -0.020 0.000 1.471 152 I CB -0.059 37.936 38.000 -0.009 0.000 1.089 152 I HN 0.129 nan 8.210 nan 0.000 0.468 153 K N 1.497 121.883 120.400 -0.023 0.000 2.362 153 K HA -0.019 4.301 4.320 -0.001 0.000 0.200 153 K C 1.556 178.126 176.600 -0.050 0.000 1.046 153 K CA 1.508 57.774 56.287 -0.034 0.000 0.952 153 K CB 0.033 32.519 32.500 -0.024 0.000 0.753 153 K HN 0.574 nan 8.250 nan 0.000 0.466 154 V N -3.760 116.130 119.914 -0.039 0.000 3.176 154 V HA 0.427 4.546 4.120 -0.001 0.000 0.332 154 V C 0.660 176.721 176.094 -0.054 0.000 1.414 154 V CA 0.087 62.363 62.300 -0.039 0.000 1.133 154 V CB 0.001 31.829 31.823 0.009 0.000 1.088 154 V HN 0.296 nan 8.190 nan 0.000 0.473 155 G N 0.454 109.200 108.800 -0.090 0.000 2.147 155 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.244 155 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.244 155 G C 0.223 175.065 174.900 -0.097 0.000 1.005 155 G CA 0.486 45.498 45.100 -0.147 0.000 0.713 155 G HN 1.116 nan 8.290 nan 0.000 0.515 156 S N 0.733 116.411 115.700 -0.037 0.000 2.420 156 S HA 0.721 5.191 4.470 -0.001 0.000 0.313 156 S C 0.629 175.220 174.600 -0.015 0.000 1.079 156 S CA 0.705 58.904 58.200 -0.001 0.000 1.104 156 S CB 0.582 63.824 63.200 0.069 0.000 0.969 156 S HN 1.160 nan 8.310 nan 0.000 0.471 157 T N 2.658 117.192 114.554 -0.034 0.000 2.807 157 T HA 0.745 5.095 4.350 -0.001 0.000 0.277 157 T C -0.610 174.076 174.700 -0.023 0.000 1.006 157 T CA -0.939 61.146 62.100 -0.025 0.000 1.006 157 T CB 0.838 69.684 68.868 -0.036 0.000 1.274 157 T HN 0.456 nan 8.240 nan 0.000 0.569 158 L N 0.992 122.216 121.223 0.002 0.000 2.410 158 L HA 0.564 4.904 4.340 -0.001 0.000 0.270 158 L C 0.647 177.538 176.870 0.036 0.000 0.983 158 L CA -0.707 54.139 54.840 0.009 0.000 0.822 158 L CB 2.631 44.697 42.059 0.012 0.000 1.285 158 L HN 1.168 nan 8.230 nan 0.000 0.409 159 T N -1.075 113.502 114.554 0.040 0.000 2.993 159 T HA 0.246 4.596 4.350 -0.001 0.000 0.260 159 T C 0.587 175.326 174.700 0.065 0.000 0.939 159 T CA -0.093 62.046 62.100 0.064 0.000 0.886 159 T CB 0.459 69.358 68.868 0.051 0.000 1.209 159 T HN 0.292 nan 8.240 nan 0.000 0.518 160 I N 2.708 123.307 120.570 0.048 0.000 2.836 160 I HA 0.505 4.675 4.170 -0.001 0.000 0.285 160 I C 0.451 176.575 176.117 0.012 0.000 1.174 160 I CA -0.652 60.640 61.300 -0.013 0.000 1.405 160 I CB 0.770 38.755 38.000 -0.024 0.000 1.385 160 I HN 0.390 nan 8.210 nan 0.000 0.594 161 A N 8.467 131.288 122.820 0.001 0.000 2.331 161 A HA 0.574 4.894 4.320 -0.001 0.000 0.283 161 A C -2.357 175.347 177.584 0.201 0.000 1.142 161 A CA -1.454 50.647 52.037 0.106 0.000 0.812 161 A CB -0.002 19.110 19.000 0.185 0.000 1.074 161 A HN 0.543 nan 8.150 nan 0.000 0.497 162 P HA 0.138 nan 4.420 nan 0.000 0.272 162 P C -1.311 176.149 177.300 0.265 0.000 1.223 162 P CA 0.331 63.527 63.100 0.160 0.000 0.784 162 P CB 0.476 32.227 31.700 0.084 0.000 0.923 163 Y N 0.873 121.150 120.300 -0.038 0.000 2.373 163 Y HA 0.355 4.905 4.550 -0.001 0.000 0.336 163 Y C -0.699 175.072 175.900 -0.215 0.000 0.979 163 Y CA -0.947 57.120 58.100 -0.056 0.000 1.080 163 Y CB 1.874 40.283 38.460 -0.086 0.000 1.190 163 Y HN 0.034 nan 8.280 nan 0.000 0.446 164 V N 7.483 127.138 119.914 -0.432 0.000 2.394 164 V HA 0.419 4.539 4.120 -0.001 0.000 0.282 164 V C -0.284 175.640 176.094 -0.284 0.000 1.031 164 V CA -0.438 61.654 62.300 -0.347 0.000 0.881 164 V CB 1.192 32.912 31.823 -0.172 0.000 0.982 164 V HN 0.573 nan 8.190 nan 0.000 0.451 165 I N 5.259 125.672 120.570 -0.262 0.000 2.512 165 I HA 0.410 4.580 4.170 -0.001 0.000 0.287 165 I C 0.472 176.482 176.117 -0.178 0.000 1.069 165 I CA -0.618 60.501 61.300 -0.302 0.000 1.056 165 I CB 1.701 39.340 38.000 -0.601 0.000 1.229 165 I HN 0.679 nan 8.210 nan 0.000 0.429 166 K N 3.110 123.481 120.400 -0.048 0.000 2.844 166 K HA -0.244 4.076 4.320 -0.001 0.000 0.177 166 K C -0.207 176.466 176.600 0.122 0.000 0.804 166 K CA 1.965 58.282 56.287 0.051 0.000 0.458 166 K CB -0.570 31.934 32.500 0.008 0.000 0.759 166 K HN 0.669 nan 8.250 nan 0.000 0.761 167 D N 1.170 121.584 120.400 0.024 0.000 2.788 167 D HA 0.311 4.951 4.640 -0.001 0.000 0.289 167 D C -0.600 175.583 176.300 -0.196 0.000 1.340 167 D CA 0.188 54.156 54.000 -0.053 0.000 0.831 167 D CB 0.179 40.968 40.800 -0.018 0.000 1.103 167 D HN 0.121 nan 8.370 nan 0.000 0.476 168 L N 0.326 121.414 121.223 -0.225 0.000 2.388 168 L HA 0.547 4.887 4.340 -0.001 0.000 0.264 168 L C -0.585 176.051 176.870 -0.389 0.000 0.998 168 L CA -1.147 53.507 54.840 -0.310 0.000 0.817 168 L CB 3.130 45.003 42.059 -0.311 0.000 1.338 168 L HN -0.264 nan 8.230 nan 0.000 0.414 169 V N 4.121 123.787 119.914 -0.413 0.000 2.448 169 V HA 0.500 4.619 4.120 -0.001 0.000 0.295 169 V C -0.448 175.441 176.094 -0.342 0.000 1.025 169 V CA -0.362 61.655 62.300 -0.471 0.000 0.859 169 V CB 1.849 33.243 31.823 -0.714 0.000 0.988 169 V HN 0.526 nan 8.190 nan 0.000 0.431 170 L N 6.808 127.806 121.223 -0.374 0.000 2.312 170 L HA 0.662 5.002 4.340 -0.001 0.000 0.281 170 L C -0.733 176.034 176.870 -0.171 0.000 1.070 170 L CA -0.676 53.916 54.840 -0.413 0.000 0.805 170 L CB 1.820 43.427 42.059 -0.753 0.000 1.174 170 L HN 0.396 nan 8.230 nan 0.000 0.434 171 V N 2.263 122.116 119.914 -0.102 0.000 2.483 171 V HA 0.489 4.608 4.120 -0.001 0.000 0.297 171 V C 0.638 176.701 176.094 -0.052 0.000 1.027 171 V CA -0.522 61.777 62.300 -0.002 0.000 0.855 171 V CB 1.215 33.085 31.823 0.078 0.000 0.995 171 V HN 0.925 nan 8.190 nan 0.000 0.424 172 G N 3.405 112.198 108.800 -0.011 0.000 2.735 172 G HA2 0.670 4.630 3.960 -0.001 0.000 0.192 172 G HA3 0.670 4.630 3.960 -0.001 0.000 0.192 172 G C -0.009 174.762 174.900 -0.215 0.000 1.547 172 G CA 0.370 45.413 45.100 -0.095 0.000 1.080 172 G HN 1.180 nan 8.290 nan 0.000 0.569 173 S N -2.836 112.779 115.700 -0.142 0.000 2.565 173 S HA 0.658 5.127 4.470 -0.001 0.000 0.274 173 S C -1.059 173.552 174.600 0.018 0.000 1.144 173 S CA -0.647 57.447 58.200 -0.177 0.000 0.849 173 S CB 1.588 64.511 63.200 -0.461 0.000 1.103 173 S HN 0.760 nan 8.310 nan 0.000 0.455 174 S N -0.388 115.301 115.700 -0.018 0.000 2.599 174 S HA 0.943 5.413 4.470 -0.001 0.000 0.287 174 S C 0.589 175.163 174.600 -0.044 0.000 1.105 174 S CA -0.134 58.041 58.200 -0.042 0.000 0.899 174 S CB 1.545 64.669 63.200 -0.126 0.000 1.100 174 S HN 2.312 nan 8.310 nan 0.000 0.482 175 G N 0.018 108.777 108.800 -0.069 0.000 2.200 175 G HA2 -0.011 3.949 3.960 -0.001 0.000 0.145 175 G HA3 -0.011 3.949 3.960 -0.001 0.000 0.145 175 G C 0.774 175.688 174.900 0.023 0.000 1.021 175 G CA 0.321 45.389 45.100 -0.053 0.000 0.720 175 G HN 0.972 nan 8.290 nan 0.000 0.494 176 A N 0.316 123.192 122.820 0.094 0.000 2.024 176 A HA 0.103 4.423 4.320 -0.001 0.000 0.220 176 A C 1.906 179.607 177.584 0.195 0.000 1.164 176 A CA 2.327 54.477 52.037 0.189 0.000 0.643 176 A CB -0.234 18.924 19.000 0.263 0.000 0.806 176 A HN 0.431 nan 8.150 nan 0.000 0.451 177 E N -0.566 119.707 120.200 0.122 0.000 2.418 177 E HA 0.013 4.362 4.350 -0.001 0.000 0.197 177 E C 1.124 177.718 176.600 -0.010 0.000 1.026 177 E CA 0.398 56.842 56.400 0.073 0.000 0.862 177 E CB 0.040 29.769 29.700 0.049 0.000 0.799 177 E HN 0.487 nan 8.360 nan 0.000 0.518 178 L N -1.329 119.864 121.223 -0.051 0.000 2.808 178 L HA 0.316 4.655 4.340 -0.001 0.000 0.246 178 L C 1.051 178.040 176.870 0.197 0.000 1.153 178 L CA 0.705 55.490 54.840 -0.092 0.000 0.956 178 L CB -0.208 41.679 42.059 -0.285 0.000 1.270 178 L HN 0.276 nan 8.230 nan 0.000 0.528 179 G N 0.694 109.678 108.800 0.307 0.000 2.148 179 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.254 179 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.254 179 G C 0.391 175.387 174.900 0.160 0.000 0.981 179 G CA 0.251 45.559 45.100 0.348 0.000 0.670 179 G HN 0.149 nan 8.290 nan 0.000 0.528 180 V N 1.415 121.420 119.914 0.152 0.000 2.529 180 V HA 0.214 4.334 4.120 -0.001 0.000 0.292 180 V C 1.390 177.593 176.094 0.182 0.000 1.028 180 V CA 0.061 62.449 62.300 0.146 0.000 1.074 180 V CB 1.175 33.079 31.823 0.135 0.000 0.958 180 V HN 0.508 nan 8.190 nan 0.000 0.481 181 R N 4.040 124.654 120.500 0.191 0.000 2.316 181 R HA 0.337 4.677 4.340 -0.001 0.000 0.314 181 R C 0.546 177.084 176.300 0.398 0.000 1.069 181 R CA -0.094 56.158 56.100 0.253 0.000 0.959 181 R CB 0.461 30.895 30.300 0.224 0.000 0.987 181 R HN 0.903 nan 8.270 nan 0.000 0.446 182 G N 3.596 112.609 108.800 0.355 0.000 2.491 182 G HA2 0.240 4.199 3.960 -0.001 0.000 0.242 182 G HA3 0.240 4.199 3.960 -0.001 0.000 0.242 182 G C -1.218 173.879 174.900 0.328 0.000 1.266 182 G CA -0.188 45.095 45.100 0.305 0.000 0.844 182 G HN 0.718 nan 8.290 nan 0.000 0.571 183 Y N -1.093 119.167 120.300 -0.066 0.000 2.521 183 Y HA 0.591 5.141 4.550 -0.001 0.000 0.328 183 Y C -1.282 174.484 175.900 -0.223 0.000 1.151 183 Y CA -1.711 56.213 58.100 -0.294 0.000 1.054 183 Y CB 0.851 38.828 38.460 -0.805 0.000 1.338 183 Y HN 0.654 nan 8.280 nan 0.000 0.453 184 V N 2.494 122.303 119.914 -0.174 0.000 2.630 184 V HA 0.894 5.014 4.120 -0.001 0.000 0.305 184 V C -0.881 175.137 176.094 -0.126 0.000 1.046 184 V CA -0.104 62.083 62.300 -0.189 0.000 0.934 184 V CB 1.894 33.586 31.823 -0.218 0.000 1.003 184 V HN 1.045 nan 8.190 nan 0.000 0.451 185 T N 5.238 119.650 114.554 -0.237 0.000 2.893 185 T HA 0.783 5.133 4.350 -0.001 0.000 0.293 185 T C -0.654 173.597 174.700 -0.748 0.000 1.027 185 T CA -0.132 61.715 62.100 -0.423 0.000 0.988 185 T CB 1.637 70.343 68.868 -0.270 0.000 1.043 185 T HN 1.139 nan 8.240 nan 0.000 0.461 186 A N 2.418 124.479 122.820 -1.264 0.000 2.303 186 A HA 0.815 5.135 4.320 -0.001 0.000 0.320 186 A C -1.547 175.423 177.584 -1.023 0.000 1.192 186 A CA -0.610 50.661 52.037 -1.277 0.000 0.821 186 A CB 0.478 18.193 19.000 -2.141 0.000 1.188 186 A HN 0.768 nan 8.150 nan 0.000 0.492 187 Y N 0.201 120.202 120.300 -0.498 0.000 2.549 187 Y HA 0.433 4.982 4.550 -0.001 0.000 0.339 187 Y C 0.205 175.885 175.900 -0.366 0.000 1.053 187 Y CA -0.784 57.093 58.100 -0.372 0.000 1.105 187 Y CB 1.551 39.879 38.460 -0.219 0.000 1.258 187 Y HN 0.815 nan 8.280 nan 0.000 0.478 188 D N 0.445 120.715 120.400 -0.217 0.000 2.351 188 D HA 0.176 4.816 4.640 -0.001 0.000 0.251 188 D C 1.074 177.240 176.300 -0.223 0.000 1.137 188 D CA -0.174 53.674 54.000 -0.253 0.000 0.879 188 D CB 1.310 41.950 40.800 -0.267 0.000 1.181 188 D HN 0.446 nan 8.370 nan 0.000 0.448 189 V N 2.017 121.768 119.914 -0.272 0.000 2.469 189 V HA -0.241 3.879 4.120 -0.001 0.000 0.251 189 V C 1.720 177.810 176.094 -0.007 0.000 1.064 189 V CA 1.321 63.514 62.300 -0.178 0.000 1.066 189 V CB -0.656 30.654 31.823 -0.854 0.000 0.667 189 V HN 0.503 nan 8.190 nan 0.000 0.461 190 K N 1.702 121.940 120.400 -0.271 0.000 2.021 190 K HA 0.001 4.320 4.320 -0.001 0.000 0.205 190 K C 2.465 178.931 176.600 -0.222 0.000 1.047 190 K CA 1.634 57.819 56.287 -0.170 0.000 0.943 190 K CB -0.324 32.056 32.500 -0.199 0.000 0.725 190 K HN 0.690 nan 8.250 nan 0.000 0.439 191 S N -0.882 114.553 115.700 -0.442 0.000 2.492 191 S HA 0.149 4.619 4.470 -0.001 0.000 0.218 191 S C 1.490 175.360 174.600 -1.216 0.000 1.016 191 S CA 0.385 58.211 58.200 -0.624 0.000 0.916 191 S CB 0.623 63.603 63.200 -0.367 0.000 0.791 191 S HN 0.445 nan 8.310 nan 0.000 0.513 192 G N 1.242 109.149 108.800 -1.489 0.000 2.148 192 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.254 192 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.254 192 G C -0.198 174.324 174.900 -0.630 0.000 0.981 192 G CA 0.325 44.255 45.100 -1.951 0.000 0.670 192 G HN 0.698 nan 8.290 nan 0.000 0.528 193 E N 0.220 120.154 120.200 -0.444 0.000 2.324 193 E HA 0.374 4.724 4.350 -0.001 0.000 0.271 193 E C 1.007 177.477 176.600 -0.216 0.000 1.028 193 E CA -0.638 55.618 56.400 -0.241 0.000 0.890 193 E CB 0.222 29.788 29.700 -0.222 0.000 1.004 193 E HN 0.423 nan 8.360 nan 0.000 0.431 194 M N 5.421 124.887 119.600 -0.222 0.000 2.303 194 M HA -0.011 4.469 4.480 -0.001 0.000 0.350 194 M C 0.632 176.722 176.300 -0.350 0.000 1.518 194 M CA 0.669 55.688 55.300 -0.468 0.000 1.070 194 M CB 0.386 32.736 32.600 -0.417 0.000 1.910 194 M HN 0.553 nan 8.290 nan 0.000 0.458 195 R N 4.829 125.065 120.500 -0.440 0.000 2.175 195 R HA 0.193 4.533 4.340 -0.001 0.000 0.202 195 R C -0.668 175.589 176.300 -0.071 0.000 1.018 195 R CA 0.887 56.839 56.100 -0.247 0.000 1.029 195 R CB 0.583 30.742 30.300 -0.235 0.000 0.959 195 R HN 0.873 nan 8.270 nan 0.000 0.480 196 W N -0.904 120.264 121.300 -0.220 0.000 3.057 196 W HA 0.445 5.105 4.660 -0.001 0.000 0.328 196 W C -1.917 174.483 176.519 -0.198 0.000 1.232 196 W CA -1.043 56.203 57.345 -0.166 0.000 1.187 196 W CB 0.632 30.023 29.460 -0.116 0.000 1.417 196 W HN -0.241 nan 8.180 nan 0.000 0.569 197 R N 1.408 122.092 120.500 0.306 0.000 2.584 197 R HA 0.690 5.029 4.340 -0.001 0.000 0.276 197 R C -1.827 174.590 176.300 0.195 0.000 1.046 197 R CA -0.355 55.838 56.100 0.155 0.000 0.906 197 R CB 2.064 32.339 30.300 -0.042 0.000 1.215 197 R HN 0.771 nan 8.270 nan 0.000 0.449 198 A N 4.468 127.357 122.820 0.115 0.000 2.353 198 A HA 0.635 4.955 4.320 -0.001 0.000 0.299 198 A C -1.349 176.204 177.584 -0.052 0.000 1.089 198 A CA -0.603 51.470 52.037 0.059 0.000 0.736 198 A CB 0.568 19.554 19.000 -0.024 0.000 1.195 198 A HN 0.513 nan 8.150 nan 0.000 0.447 199 F N 1.129 121.105 119.950 0.043 0.000 2.368 199 F HA 0.536 5.062 4.527 -0.001 0.000 0.315 199 F C 1.473 177.311 175.800 0.063 0.000 1.145 199 F CA 0.301 58.362 58.000 0.102 0.000 1.095 199 F CB 1.375 40.439 39.000 0.106 0.000 1.286 199 F HN 0.605 nan 8.300 nan 0.000 0.530 200 A N -0.365 122.681 122.820 0.376 0.000 2.303 200 A HA 0.319 4.638 4.320 -0.001 0.000 0.217 200 A C 0.425 178.338 177.584 0.548 0.000 1.205 200 A CA 0.802 53.102 52.037 0.438 0.000 0.875 200 A CB -0.581 18.688 19.000 0.447 0.000 0.910 200 A HN 0.728 nan 8.150 nan 0.000 0.501 201 T N -5.073 109.730 114.554 0.415 0.000 2.843 201 T HA 0.659 5.009 4.350 -0.001 0.000 0.302 201 T C 0.138 174.849 174.700 0.018 0.000 1.232 201 T CA 0.150 62.418 62.100 0.280 0.000 1.009 201 T CB 1.330 70.297 68.868 0.166 0.000 1.254 201 T HN 1.962 nan 8.240 nan 0.000 0.504 202 G N 1.282 109.839 108.800 -0.405 0.000 2.472 202 G HA2 0.104 4.064 3.960 -0.001 0.000 0.205 202 G HA3 0.104 4.064 3.960 -0.001 0.000 0.205 202 G C -3.016 171.491 174.900 -0.655 0.000 1.270 202 G CA -0.424 43.974 45.100 -1.171 0.000 0.974 202 G HN 0.875 nan 8.290 nan 0.000 0.542 203 P HA 0.237 nan 4.420 nan 0.000 0.269 203 P C -0.158 177.054 177.300 -0.145 0.000 1.215 203 P CA 0.332 63.256 63.100 -0.293 0.000 0.780 203 P CB 0.434 31.991 31.700 -0.238 0.000 0.898 204 D N 0.695 121.047 120.400 -0.079 0.000 2.310 204 D HA -0.139 4.501 4.640 -0.001 0.000 0.212 204 D C 1.644 177.906 176.300 -0.063 0.000 0.965 204 D CA 1.104 55.075 54.000 -0.048 0.000 0.879 204 D CB -0.091 40.695 40.800 -0.022 0.000 0.921 204 D HN 0.536 nan 8.370 nan 0.000 0.510 205 E N 0.502 120.664 120.200 -0.063 0.000 2.371 205 E HA -0.069 4.281 4.350 -0.001 0.000 0.194 205 E C 1.135 177.717 176.600 -0.029 0.000 1.012 205 E CA 0.504 56.875 56.400 -0.049 0.000 0.860 205 E CB -0.204 29.470 29.700 -0.045 0.000 0.811 205 E HN 0.388 nan 8.360 nan 0.000 0.502 206 E N 0.030 120.206 120.200 -0.040 0.000 2.364 206 E HA 0.068 4.417 4.350 -0.001 0.000 0.196 206 E C 1.542 178.236 176.600 0.158 0.000 0.990 206 E CA -0.163 56.256 56.400 0.031 0.000 0.886 206 E CB 0.226 29.793 29.700 -0.222 0.000 0.866 206 E HN 0.037 nan 8.360 nan 0.000 0.493 207 L N 0.505 121.756 121.223 0.047 0.000 2.313 207 L HA 0.084 4.424 4.340 -0.001 0.000 0.214 207 L C 0.691 177.504 176.870 -0.096 0.000 1.119 207 L CA 0.874 55.729 54.840 0.025 0.000 0.809 207 L CB -0.337 41.736 42.059 0.023 0.000 0.933 207 L HN 0.195 nan 8.230 nan 0.000 0.449 208 L N 0.671 121.838 121.223 -0.094 0.000 3.546 208 L HA -0.232 4.107 4.340 -0.001 0.000 0.668 208 L C -1.014 175.714 176.870 -0.237 0.000 1.139 208 L CA -0.051 54.698 54.840 -0.151 0.000 1.122 208 L CB -0.679 41.280 42.059 -0.167 0.000 1.545 208 L HN 0.086 nan 8.230 nan 0.000 0.851 209 L N 2.052 123.132 121.223 -0.239 0.000 2.334 209 L HA 0.815 5.155 4.340 -0.001 0.000 0.273 209 L C 0.751 177.540 176.870 -0.135 0.000 1.013 209 L CA -0.512 54.143 54.840 -0.308 0.000 0.816 209 L CB 1.673 43.455 42.059 -0.462 0.000 1.278 209 L HN 0.496 nan 8.230 nan 0.000 0.431 210 A N 0.898 123.686 122.820 -0.053 0.000 2.332 210 A HA 0.143 4.463 4.320 -0.001 0.000 0.258 210 A C 1.128 178.744 177.584 0.052 0.000 1.087 210 A CA -0.217 51.821 52.037 0.002 0.000 0.802 210 A CB 0.459 19.477 19.000 0.030 0.000 1.042 210 A HN 0.965 nan 8.150 nan 0.000 0.489 211 E N 0.126 120.346 120.200 0.032 0.000 2.147 211 E HA -0.255 4.095 4.350 -0.001 0.000 0.199 211 E C 0.126 176.768 176.600 0.070 0.000 1.005 211 E CA 1.779 58.203 56.400 0.041 0.000 0.810 211 E CB -0.014 29.700 29.700 0.023 0.000 0.736 211 E HN 0.766 nan 8.360 nan 0.000 0.460 212 D N -0.428 120.019 120.400 0.078 0.000 2.615 212 D HA -0.024 4.616 4.640 -0.001 0.000 0.236 212 D C -0.168 176.197 176.300 0.109 0.000 1.233 212 D CA -0.614 53.431 54.000 0.075 0.000 0.829 212 D CB -0.932 39.892 40.800 0.041 0.000 1.024 212 D HN 0.059 nan 8.370 nan 0.000 0.490 213 F N 2.301 122.248 119.950 -0.006 0.000 2.612 213 F HA 0.083 4.610 4.527 -0.001 0.000 0.389 213 F C 0.753 176.556 175.800 0.004 0.000 1.055 213 F CA 0.056 58.047 58.000 -0.014 0.000 1.232 213 F CB 0.105 39.082 39.000 -0.039 0.000 1.044 213 F HN -0.041 nan 8.300 nan 0.000 0.560 214 N N 2.779 121.093 118.700 -0.644 0.000 2.725 214 N HA -0.251 4.489 4.740 -0.001 0.000 0.249 214 N C 0.802 176.147 175.510 -0.274 0.000 1.103 214 N CA 0.873 53.586 53.050 -0.562 0.000 0.707 214 N CB -1.255 36.730 38.487 -0.836 0.000 1.043 214 N HN 0.752 nan 8.380 nan 0.000 0.553 215 A N -0.267 122.460 122.820 -0.154 0.000 1.898 215 A HA -0.008 4.312 4.320 -0.001 0.000 0.216 215 A C -0.147 177.366 177.584 -0.117 0.000 1.181 215 A CA 1.567 53.547 52.037 -0.094 0.000 0.620 215 A CB -0.830 18.144 19.000 -0.042 0.000 0.819 215 A HN 0.347 nan 8.150 nan 0.000 0.442 216 P HA -0.017 nan 4.420 nan 0.000 0.223 216 P C -0.101 177.063 177.300 -0.226 0.000 1.151 216 P CA 0.866 63.870 63.100 -0.159 0.000 0.787 216 P CB 0.122 31.724 31.700 -0.163 0.000 0.788 217 N N -1.436 117.050 118.700 -0.357 0.000 2.733 217 N HA 0.158 4.897 4.740 -0.001 0.000 0.271 217 N C -2.283 172.920 175.510 -0.511 0.000 1.720 217 N CA -1.103 51.591 53.050 -0.594 0.000 0.803 217 N CB 1.150 38.736 38.487 -1.501 0.000 1.208 217 N HN 0.016 nan 8.380 nan 0.000 0.498 218 P HA -0.204 nan 4.420 nan 0.000 0.217 218 P C 1.097 178.392 177.300 -0.008 0.000 1.148 218 P CA 1.547 64.607 63.100 -0.068 0.000 0.834 218 P CB -0.001 31.697 31.700 -0.002 0.000 0.783 219 H N -3.872 115.151 119.070 -0.078 0.000 2.521 219 H HA -0.063 4.493 4.556 -0.001 0.000 0.286 219 H C 1.686 177.125 175.328 0.185 0.000 1.034 219 H CA 0.590 56.655 56.048 0.028 0.000 1.278 219 H CB -1.422 28.345 29.762 0.009 0.000 1.386 219 H HN 0.277 nan 8.280 nan 0.000 0.567 220 Y N 1.610 121.704 120.300 -0.344 0.000 2.352 220 Y HA 0.040 4.589 4.550 -0.001 0.000 0.292 220 Y C 1.193 177.142 175.900 0.082 0.000 1.136 220 Y CA -0.057 57.964 58.100 -0.132 0.000 1.227 220 Y CB 0.294 38.670 38.460 -0.140 0.000 0.991 220 Y HN 0.580 nan 8.280 nan 0.000 0.545 221 G N -0.145 108.798 108.800 0.238 0.000 2.525 221 G HA2 -0.065 3.895 3.960 -0.001 0.000 0.685 221 G HA3 -0.065 3.895 3.960 -0.001 0.000 0.685 221 G C -0.932 174.178 174.900 0.350 0.000 1.285 221 G CA -0.500 44.762 45.100 0.270 0.000 0.849 221 G HN 0.174 nan 8.290 nan 0.000 0.653 222 Q N -0.060 119.947 119.800 0.346 0.000 1.843 222 Q HA 0.300 4.640 4.340 -0.001 0.000 0.158 222 Q C 0.372 176.668 176.000 0.493 0.000 0.469 222 Q CA -0.575 55.467 55.803 0.400 0.000 0.656 222 Q CB 0.698 29.558 28.738 0.203 0.000 1.214 222 Q HN 0.518 nan 8.270 nan 0.000 0.292 223 K N 1.851 122.430 120.400 0.300 0.000 2.185 223 K HA 0.171 4.490 4.320 -0.001 0.000 0.271 223 K C -0.206 176.502 176.600 0.180 0.000 1.013 223 K CA 0.025 56.448 56.287 0.226 0.000 0.943 223 K CB 0.432 33.018 32.500 0.143 0.000 0.998 223 K HN 0.363 nan 8.250 nan 0.000 0.468 224 N N 0.722 119.507 118.700 0.142 0.000 2.778 224 N HA -0.202 4.538 4.740 -0.001 0.000 0.249 224 N C 0.072 175.633 175.510 0.085 0.000 1.069 224 N CA 0.533 53.632 53.050 0.082 0.000 0.831 224 N CB -1.087 37.429 38.487 0.049 0.000 1.142 224 N HN 0.573 nan 8.380 nan 0.000 0.573 225 L N -1.552 119.769 121.223 0.163 0.000 2.552 225 L HA 0.133 4.473 4.340 -0.001 0.000 0.227 225 L C 2.253 179.126 176.870 0.006 0.000 1.146 225 L CA 0.856 55.725 54.840 0.048 0.000 0.858 225 L CB -0.208 41.840 42.059 -0.018 0.000 0.969 225 L HN 0.365 nan 8.230 nan 0.000 0.451 226 G N -0.595 108.272 108.800 0.113 0.000 2.572 226 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.216 226 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.216 226 G C 1.374 176.216 174.900 -0.097 0.000 1.133 226 G CA 0.245 45.399 45.100 0.090 0.000 0.791 226 G HN 0.117 nan 8.290 nan 0.000 0.538 227 L N -0.494 120.654 121.223 -0.124 0.000 2.515 227 L HA 0.295 4.635 4.340 -0.001 0.000 0.202 227 L C 2.286 179.205 176.870 0.082 0.000 1.056 227 L CA 0.642 55.369 54.840 -0.188 0.000 0.847 227 L CB -1.169 40.752 42.059 -0.229 0.000 1.131 227 L HN 0.183 nan 8.230 nan 0.000 0.484 228 E N 0.322 120.550 120.200 0.046 0.000 2.171 228 E HA -0.209 4.140 4.350 -0.001 0.000 0.197 228 E C 1.523 178.144 176.600 0.036 0.000 0.997 228 E CA 1.927 58.355 56.400 0.046 0.000 0.810 228 E CB 0.234 29.945 29.700 0.018 0.000 0.738 228 E HN 0.529 nan 8.360 nan 0.000 0.467 229 T N -2.771 111.792 114.554 0.015 0.000 3.169 229 T HA 0.047 4.396 4.350 -0.001 0.000 0.250 229 T C -0.165 174.397 174.700 -0.229 0.000 1.111 229 T CA -0.325 61.689 62.100 -0.143 0.000 1.010 229 T CB -0.161 68.527 68.868 -0.299 0.000 0.984 229 T HN 0.062 nan 8.240 nan 0.000 0.537 230 W N 1.085 122.406 121.300 0.035 0.000 2.781 230 W HA 0.588 5.247 4.660 -0.001 0.000 0.345 230 W C -0.180 176.409 176.519 0.117 0.000 1.085 230 W CA -1.185 56.229 57.345 0.115 0.000 1.198 230 W CB 1.387 30.999 29.460 0.254 0.000 1.423 230 W HN -0.012 nan 8.180 nan 0.000 0.532 231 E N 1.749 122.157 120.200 0.347 0.000 2.115 231 E HA 0.464 4.814 4.350 -0.001 0.000 0.282 231 E C 0.843 177.591 176.600 0.245 0.000 0.987 231 E CA 0.608 57.143 56.400 0.226 0.000 0.797 231 E CB 0.402 30.187 29.700 0.141 0.000 1.086 231 E HN 0.656 nan 8.360 nan 0.000 0.397 232 G N 4.978 113.908 108.800 0.217 0.000 2.527 232 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.268 232 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.268 232 G C 0.297 175.319 174.900 0.203 0.000 1.175 232 G CA 0.213 45.417 45.100 0.174 0.000 0.962 232 G HN 0.674 nan 8.290 nan 0.000 0.560 233 D N 1.418 121.812 120.400 -0.010 0.000 2.328 233 D HA 0.462 5.102 4.640 -0.001 0.000 0.221 233 D C 2.299 178.246 176.300 -0.589 0.000 1.072 233 D CA 1.197 54.967 54.000 -0.384 0.000 0.850 233 D CB -0.211 40.370 40.800 -0.364 0.000 0.922 233 D HN 0.794 nan 8.370 nan 0.000 0.516 234 A N 1.163 123.878 122.820 -0.174 0.000 2.032 234 A HA -0.177 4.143 4.320 -0.001 0.000 0.221 234 A C 1.911 179.270 177.584 -0.375 0.000 1.165 234 A CA 1.013 53.003 52.037 -0.078 0.000 0.645 234 A CB -1.069 18.116 19.000 0.310 0.000 0.807 234 A HN 0.584 nan 8.150 nan 0.000 0.453 235 W N 0.007 120.942 121.300 -0.608 0.000 2.611 235 W HA -0.008 4.652 4.660 -0.000 0.000 0.251 235 W C 0.980 177.109 176.519 -0.649 0.000 1.265 235 W CA 0.885 57.461 57.345 -1.280 0.000 1.295 235 W CB -0.583 28.023 29.460 -1.425 0.000 1.129 235 W HN 0.274 nan 8.180 nan 0.000 0.630 236 K N 1.705 121.423 120.400 -1.135 0.000 2.283 236 K HA -0.064 4.256 4.320 -0.001 0.000 0.202 236 K C 1.497 177.817 176.600 -0.467 0.000 1.048 236 K CA 1.528 57.289 56.287 -0.876 0.000 0.948 236 K CB -0.160 31.777 32.500 -0.939 0.000 0.742 236 K HN 0.426 nan 8.250 nan 0.000 0.458 237 I N -3.780 116.520 120.570 -0.450 0.000 3.491 237 I HA 0.306 4.476 4.170 -0.001 0.000 0.332 237 I C 0.542 176.605 176.117 -0.090 0.000 1.565 237 I CA -0.528 60.574 61.300 -0.330 0.000 1.050 237 I CB 0.873 38.457 38.000 -0.693 0.000 1.348 237 I HN -0.199 nan 8.210 nan 0.000 0.506 238 G N 0.950 109.668 108.800 -0.137 0.000 3.678 238 G HA2 0.497 4.457 3.960 -0.001 0.000 0.287 238 G HA3 0.497 4.457 3.960 -0.001 0.000 0.287 238 G C 0.904 175.972 174.900 0.281 0.000 1.280 238 G CA 0.206 45.340 45.100 0.056 0.000 1.118 238 G HN 0.718 nan 8.290 nan 0.000 0.563 239 G N 0.387 109.333 108.800 0.244 0.000 2.627 239 G HA2 0.192 4.151 3.960 -0.001 0.000 0.312 239 G HA3 0.192 4.151 3.960 -0.001 0.000 0.312 239 G C 1.213 176.306 174.900 0.320 0.000 1.299 239 G CA 1.216 46.486 45.100 0.284 0.000 0.989 239 G HN 1.982 nan 8.290 nan 0.000 0.547 240 G N -2.788 106.219 108.800 0.344 0.000 2.157 240 G HA2 0.143 4.103 3.960 -0.001 0.000 0.239 240 G HA3 0.143 4.103 3.960 -0.001 0.000 0.239 240 G C 0.878 175.973 174.900 0.326 0.000 0.982 240 G CA 1.429 46.748 45.100 0.366 0.000 0.650 240 G HN 2.707 nan 8.290 nan 0.000 0.527 241 T N 0.159 114.897 114.554 0.307 0.000 2.932 241 T HA 0.424 4.774 4.350 -0.001 0.000 0.312 241 T C 0.250 175.125 174.700 0.292 0.000 1.071 241 T CA 0.300 62.560 62.100 0.268 0.000 1.128 241 T CB 1.270 70.306 68.868 0.280 0.000 0.984 241 T HN 0.920 nan 8.240 nan 0.000 0.549 242 N N 2.996 121.798 118.700 0.169 0.000 2.479 242 N HA 0.151 4.890 4.740 -0.001 0.000 0.261 242 N C -0.011 175.500 175.510 0.002 0.000 0.979 242 N CA -1.098 51.978 53.050 0.044 0.000 0.930 242 N CB 1.081 39.604 38.487 0.060 0.000 1.172 242 N HN 1.043 nan 8.380 nan 0.000 0.499 243 W N 1.571 122.810 121.300 -0.102 0.000 2.702 243 W HA 0.432 5.091 4.660 -0.000 0.000 0.369 243 W C 0.000 176.332 176.519 -0.312 0.000 0.987 243 W CA -0.591 56.650 57.345 -0.173 0.000 1.702 243 W CB -0.656 28.749 29.460 -0.093 0.000 1.138 243 W HN 0.387 nan 8.180 nan 0.000 0.552 244 G N 1.692 110.083 108.800 -0.681 0.000 3.152 244 G HA2 0.339 4.299 3.960 -0.001 0.000 0.157 244 G HA3 0.339 4.299 3.960 -0.001 0.000 0.157 244 G C -1.145 173.199 174.900 -0.928 0.000 1.786 244 G CA -0.010 44.597 45.100 -0.821 0.000 1.055 244 G HN 0.130 nan 8.290 nan 0.000 0.528 245 W N -2.517 118.602 121.300 -0.302 0.000 2.967 245 W HA 0.716 5.376 4.660 -0.001 0.000 0.342 245 W C -1.292 174.974 176.519 -0.422 0.000 1.162 245 W CA -0.851 56.312 57.345 -0.303 0.000 1.085 245 W CB 1.043 30.439 29.460 -0.106 0.000 1.460 245 W HN 0.292 nan 8.180 nan 0.000 0.584 246 Y N 0.364 120.712 120.300 0.079 0.000 2.630 246 Y HA 0.827 5.376 4.550 -0.001 0.000 0.337 246 Y C 0.183 176.110 175.900 0.044 0.000 1.051 246 Y CA -1.663 56.406 58.100 -0.053 0.000 1.121 246 Y CB 1.851 39.971 38.460 -0.567 0.000 1.299 246 Y HN 0.488 nan 8.280 nan 0.000 0.498 247 A N 0.835 123.981 122.820 0.543 0.000 2.594 247 A HA 0.728 5.047 4.320 -0.001 0.000 0.295 247 A C -2.566 175.561 177.584 0.904 0.000 1.071 247 A CA -0.674 51.758 52.037 0.659 0.000 0.685 247 A CB 1.634 20.942 19.000 0.514 0.000 1.285 247 A HN 0.682 nan 8.150 nan 0.000 0.405 248 Y N 1.046 121.766 120.300 0.699 0.000 2.441 248 Y HA 0.579 5.129 4.550 -0.001 0.000 0.334 248 Y C -1.689 174.415 175.900 0.341 0.000 1.061 248 Y CA -1.043 57.357 58.100 0.501 0.000 1.032 248 Y CB 2.041 40.713 38.460 0.354 0.000 1.266 248 Y HN 0.637 nan 8.280 nan 0.000 0.441 249 D N 8.509 128.756 120.400 -0.254 0.000 2.472 249 D HA 0.322 4.962 4.640 -0.001 0.000 0.234 249 D C -1.957 173.875 176.300 -0.780 0.000 1.088 249 D CA -2.442 51.367 54.000 -0.319 0.000 0.882 249 D CB 1.836 42.681 40.800 0.075 0.000 1.037 249 D HN 0.409 nan 8.370 nan 0.000 0.520 250 P HA -0.169 nan 4.420 nan 0.000 0.223 250 P C 1.108 178.272 177.300 -0.227 0.000 1.144 250 P CA 0.795 63.509 63.100 -0.644 0.000 0.783 250 P CB 0.719 32.236 31.700 -0.305 0.000 0.771 251 E N 0.276 120.378 120.200 -0.165 0.000 2.047 251 E HA -0.103 4.246 4.350 -0.001 0.000 0.191 251 E C 1.720 178.300 176.600 -0.033 0.000 0.987 251 E CA 1.567 57.932 56.400 -0.059 0.000 0.799 251 E CB -0.055 29.628 29.700 -0.029 0.000 0.752 251 E HN 0.154 nan 8.360 nan 0.000 0.449 252 V N -2.243 117.649 119.914 -0.036 0.000 3.621 252 V HA 0.168 4.288 4.120 -0.001 0.000 0.285 252 V C 0.046 176.147 176.094 0.010 0.000 1.346 252 V CA 0.556 62.860 62.300 0.007 0.000 1.104 252 V CB 0.024 31.877 31.823 0.049 0.000 0.913 252 V HN 0.272 nan 8.190 nan 0.000 0.432 253 D N 0.413 120.796 120.400 -0.029 0.000 2.697 253 D HA -0.200 4.440 4.640 -0.001 0.000 0.238 253 D C -0.512 175.898 176.300 0.183 0.000 1.152 253 D CA 0.959 55.029 54.000 0.116 0.000 0.666 253 D CB -1.340 39.552 40.800 0.153 0.000 1.037 253 D HN 0.659 nan 8.370 nan 0.000 0.423 254 L N 1.156 122.421 121.223 0.069 0.000 2.385 254 L HA 0.611 4.951 4.340 -0.001 0.000 0.273 254 L C 0.205 176.993 176.870 -0.136 0.000 0.990 254 L CA -1.335 53.442 54.840 -0.105 0.000 0.821 254 L CB 1.341 43.232 42.059 -0.279 0.000 1.279 254 L HN 0.115 nan 8.230 nan 0.000 0.412 255 F N 0.779 120.625 119.950 -0.174 0.000 2.507 255 F HA 0.788 5.315 4.527 -0.001 0.000 0.327 255 F C -1.217 174.403 175.800 -0.299 0.000 1.068 255 F CA -0.995 57.001 58.000 -0.007 0.000 0.965 255 F CB 0.912 40.043 39.000 0.220 0.000 1.192 255 F HN 0.157 nan 8.300 nan 0.000 0.476 256 Y N 1.724 122.286 120.300 0.436 0.000 2.485 256 Y HA 0.675 5.224 4.550 -0.001 0.000 0.345 256 Y C -0.720 175.450 175.900 0.450 0.000 0.998 256 Y CA -1.494 56.750 58.100 0.239 0.000 1.059 256 Y CB 1.657 40.199 38.460 0.136 0.000 1.234 256 Y HN 0.785 nan 8.280 nan 0.000 0.461 257 Y N -1.516 118.964 120.300 0.300 0.000 2.741 257 Y HA 0.833 5.383 4.550 -0.001 0.000 0.339 257 Y C -1.009 174.982 175.900 0.152 0.000 1.226 257 Y CA -1.935 56.279 58.100 0.190 0.000 1.072 257 Y CB 1.023 39.635 38.460 0.254 0.000 1.331 257 Y HN 0.806 nan 8.280 nan 0.000 0.453 258 G N 0.943 109.777 108.800 0.057 0.000 2.452 258 G HA2 0.532 4.491 3.960 -0.001 0.000 0.324 258 G HA3 0.532 4.491 3.960 -0.001 0.000 0.324 258 G C -1.168 173.855 174.900 0.205 0.000 1.214 258 G CA -0.743 44.373 45.100 0.026 0.000 0.947 258 G HN 1.034 nan 8.290 nan 0.000 0.478 259 S N 0.953 116.841 115.700 0.313 0.000 2.586 259 S HA 0.705 5.175 4.470 -0.001 0.000 0.274 259 S C 0.914 175.670 174.600 0.259 0.000 1.281 259 S CA -0.099 58.330 58.200 0.381 0.000 1.035 259 S CB 1.625 65.197 63.200 0.620 0.000 0.962 259 S HN 0.963 nan 8.310 nan 0.000 0.512 260 G N 1.792 110.751 108.800 0.265 0.000 2.525 260 G HA2 0.243 4.202 3.960 -0.001 0.000 0.276 260 G HA3 0.243 4.202 3.960 -0.001 0.000 0.276 260 G C 0.211 175.274 174.900 0.272 0.000 1.388 260 G CA -0.890 44.378 45.100 0.280 0.000 1.050 260 G HN 0.946 nan 8.290 nan 0.000 0.520 261 N N 0.614 119.474 118.700 0.268 0.000 2.399 261 N HA 0.254 4.994 4.740 -0.001 0.000 0.250 261 N C -2.698 172.956 175.510 0.240 0.000 1.272 261 N CA -1.061 52.104 53.050 0.191 0.000 0.928 261 N CB 1.301 39.857 38.487 0.115 0.000 1.158 261 N HN 0.210 nan 8.380 nan 0.000 0.463 262 P HA 0.295 nan 4.420 nan 0.000 0.282 262 P C -1.234 176.229 177.300 0.272 0.000 1.259 262 P CA -0.506 62.786 63.100 0.320 0.000 0.826 262 P CB 1.182 33.041 31.700 0.265 0.000 1.064 263 A N 2.797 125.807 122.820 0.317 0.000 2.340 263 A HA 0.775 5.094 4.320 -0.001 0.000 0.331 263 A C -2.364 175.282 177.584 0.104 0.000 1.140 263 A CA -1.891 50.270 52.037 0.206 0.000 0.801 263 A CB 0.742 19.911 19.000 0.281 0.000 1.234 263 A HN 0.411 nan 8.150 nan 0.000 0.469 264 P HA 0.221 nan 4.420 nan 0.000 0.310 264 P C 0.004 177.319 177.300 0.025 0.000 1.309 264 P CA -0.422 62.417 63.100 -0.436 0.000 0.769 264 P CB 0.519 31.491 31.700 -1.214 0.000 1.327 265 W N -1.159 119.995 121.300 -0.243 0.000 2.425 265 W HA 0.021 4.680 4.660 -0.000 0.000 0.277 265 W C 1.154 177.668 176.519 -0.008 0.000 1.231 265 W CA 0.454 57.769 57.345 -0.050 0.000 1.248 265 W CB -1.791 27.608 29.460 -0.100 0.000 1.117 265 W HN 0.266 nan 8.180 nan 0.000 0.568 266 N N 2.216 120.944 118.700 0.045 0.000 2.406 266 N HA -0.077 4.663 4.740 -0.001 0.000 0.274 266 N C 1.152 176.652 175.510 -0.016 0.000 1.249 266 N CA 0.571 53.621 53.050 -0.000 0.000 0.951 266 N CB 0.731 39.145 38.487 -0.122 0.000 1.241 266 N HN 0.272 nan 8.380 nan 0.000 0.485 267 E N 1.778 121.950 120.200 -0.047 0.000 2.268 267 E HA -0.099 4.251 4.350 -0.001 0.000 0.195 267 E C 0.935 177.570 176.600 0.058 0.000 0.995 267 E CA 1.421 57.745 56.400 -0.125 0.000 0.836 267 E CB -0.405 29.074 29.700 -0.368 0.000 0.763 267 E HN 0.438 nan 8.360 nan 0.000 0.491 268 T N 0.414 114.998 114.554 0.050 0.000 3.035 268 T HA 0.065 4.415 4.350 -0.001 0.000 0.268 268 T C 1.354 176.097 174.700 0.071 0.000 1.109 268 T CA 1.092 63.232 62.100 0.068 0.000 1.119 268 T CB -0.168 68.736 68.868 0.060 0.000 0.900 268 T HN 0.209 nan 8.240 nan 0.000 0.503 269 M N 1.333 120.973 119.600 0.067 0.000 2.561 269 M HA 0.156 4.635 4.480 -0.001 0.000 0.238 269 M C 0.284 176.659 176.300 0.126 0.000 1.131 269 M CA 0.419 55.773 55.300 0.090 0.000 1.046 269 M CB 0.248 32.895 32.600 0.079 0.000 1.532 269 M HN 0.163 nan 8.290 nan 0.000 0.497 270 R N -0.878 119.697 120.500 0.125 0.000 2.984 270 R HA 0.422 4.761 4.340 -0.001 0.000 0.252 270 R C -3.281 173.076 176.300 0.095 0.000 1.842 270 R CA -1.485 54.705 56.100 0.150 0.000 1.389 270 R CB -0.282 30.131 30.300 0.188 0.000 1.454 270 R HN -0.143 nan 8.270 nan 0.000 0.578 271 P HA 0.349 nan 4.420 nan 0.000 0.272 271 P C 0.251 177.447 177.300 -0.174 0.000 1.223 271 P CA 0.735 63.773 63.100 -0.104 0.000 0.784 271 P CB 1.150 32.810 31.700 -0.068 0.000 0.923 272 G N 1.832 110.450 108.800 -0.304 0.000 2.479 272 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.686 272 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.686 272 G C -0.251 174.467 174.900 -0.303 0.000 1.295 272 G CA -0.585 44.340 45.100 -0.292 0.000 0.922 272 G HN 0.353 nan 8.290 nan 0.000 0.582 273 D N 0.820 121.034 120.400 -0.310 0.000 2.363 273 D HA 0.067 4.707 4.640 -0.001 0.000 0.226 273 D C 1.397 177.445 176.300 -0.420 0.000 1.020 273 D CA 0.707 54.542 54.000 -0.275 0.000 0.892 273 D CB -0.159 40.485 40.800 -0.261 0.000 0.900 273 D HN 0.546 nan 8.370 nan 0.000 0.531 274 N N 1.035 119.275 118.700 -0.766 0.000 2.708 274 N HA -0.228 4.512 4.740 -0.001 0.000 0.251 274 N C -0.322 174.936 175.510 -0.419 0.000 1.017 274 N CA 0.732 52.987 53.050 -1.325 0.000 0.742 274 N CB -1.136 36.677 38.487 -1.124 0.000 0.943 274 N HN 0.420 nan 8.380 nan 0.000 0.539 275 K N -0.713 119.480 120.400 -0.344 0.000 2.319 275 K HA 0.015 4.335 4.320 -0.001 0.000 0.265 275 K C 0.402 177.150 176.600 0.247 0.000 1.000 275 K CA 0.165 56.264 56.287 -0.313 0.000 0.943 275 K CB 0.357 32.136 32.500 -1.202 0.000 0.950 275 K HN 0.231 nan 8.250 nan 0.000 0.485 276 W N 2.133 123.695 121.300 0.437 0.000 2.637 276 W HA 0.065 4.724 4.660 -0.001 0.000 0.420 276 W C 0.458 177.184 176.519 0.344 0.000 0.766 276 W CA -0.487 57.045 57.345 0.313 0.000 2.499 276 W CB -0.031 29.651 29.460 0.370 0.000 1.395 276 W HN 0.555 nan 8.180 nan 0.000 0.802 277 T N -2.467 112.356 114.554 0.450 0.000 2.748 277 T HA 0.101 4.450 4.350 -0.001 0.000 0.304 277 T C 1.168 176.004 174.700 0.226 0.000 1.041 277 T CA -0.254 62.071 62.100 0.376 0.000 1.033 277 T CB 0.654 69.720 68.868 0.330 0.000 0.995 277 T HN 0.167 nan 8.240 nan 0.000 0.536 278 M N -1.540 118.171 119.600 0.185 0.000 2.333 278 M HA -0.179 4.301 4.480 -0.001 0.000 0.199 278 M C 0.153 176.434 176.300 -0.031 0.000 0.376 278 M CA 0.783 56.126 55.300 0.072 0.000 0.440 278 M CB -3.124 29.488 32.600 0.019 0.000 1.506 278 M HN 1.107 nan 8.290 nan 0.000 0.889 279 A N 0.280 123.105 122.820 0.008 0.000 2.384 279 A HA 0.911 5.231 4.320 -0.001 0.000 0.312 279 A C 0.039 177.441 177.584 -0.304 0.000 1.113 279 A CA -0.748 51.154 52.037 -0.225 0.000 0.779 279 A CB 1.475 20.289 19.000 -0.310 0.000 1.307 279 A HN 0.385 nan 8.150 nan 0.000 0.436 280 I N 1.002 121.344 120.570 -0.381 0.000 2.331 280 I HA 0.271 4.441 4.170 -0.001 0.000 0.292 280 I C -1.000 174.861 176.117 -0.425 0.000 0.998 280 I CA -0.076 61.045 61.300 -0.299 0.000 1.267 280 I CB 0.899 38.809 38.000 -0.151 0.000 1.386 280 I HN 0.664 nan 8.210 nan 0.000 0.476 281 W N 3.928 124.935 121.300 -0.490 0.000 2.570 281 W HA 0.643 5.303 4.660 -0.001 0.000 0.337 281 W C 0.377 176.433 176.519 -0.771 0.000 1.067 281 W CA -0.755 56.189 57.345 -0.668 0.000 1.229 281 W CB 1.772 30.687 29.460 -0.909 0.000 1.355 281 W HN 0.444 nan 8.180 nan 0.000 0.555 282 G N 2.384 110.637 108.800 -0.911 0.000 2.938 282 G HA2 0.606 4.566 3.960 -0.001 0.000 0.308 282 G HA3 0.606 4.566 3.960 -0.001 0.000 0.308 282 G C -0.959 173.507 174.900 -0.724 0.000 1.422 282 G CA -0.859 43.566 45.100 -1.126 0.000 1.071 282 G HN 0.372 nan 8.290 nan 0.000 0.530 283 R N 1.319 121.340 120.500 -0.797 0.000 2.514 283 R HA 0.305 4.644 4.340 -0.001 0.000 0.301 283 R C -0.371 175.613 176.300 -0.527 0.000 0.962 283 R CA -0.817 54.879 56.100 -0.674 0.000 0.882 283 R CB 2.488 32.310 30.300 -0.797 0.000 1.143 283 R HN 0.587 nan 8.270 nan 0.000 0.452 284 E N 1.482 121.515 120.200 -0.278 0.000 2.366 284 E HA 0.016 4.365 4.350 -0.001 0.000 0.266 284 E C 0.550 177.161 176.600 0.018 0.000 1.015 284 E CA 0.004 56.339 56.400 -0.108 0.000 0.906 284 E CB 1.053 30.680 29.700 -0.120 0.000 0.979 284 E HN 0.711 nan 8.360 nan 0.000 0.443 285 A N 3.363 126.330 122.820 0.245 0.000 1.841 285 A HA -0.206 4.114 4.320 -0.001 0.000 0.214 285 A C 2.158 179.906 177.584 0.273 0.000 1.195 285 A CA 2.086 54.353 52.037 0.384 0.000 0.611 285 A CB -1.151 18.000 19.000 0.252 0.000 0.835 285 A HN 0.825 nan 8.150 nan 0.000 0.443 286 T N -2.187 112.462 114.554 0.159 0.000 2.759 286 T HA -0.179 4.170 4.350 -0.001 0.000 0.269 286 T C 1.782 176.549 174.700 0.111 0.000 1.042 286 T CA 2.392 64.589 62.100 0.162 0.000 1.140 286 T CB -1.003 67.918 68.868 0.088 0.000 0.864 286 T HN 0.683 nan 8.240 nan 0.000 0.455 287 T N -2.211 112.257 114.554 -0.144 0.000 3.034 287 T HA 0.476 4.826 4.350 -0.001 0.000 0.248 287 T C 2.022 176.107 174.700 -1.024 0.000 1.040 287 T CA 0.948 62.833 62.100 -0.359 0.000 1.107 287 T CB -0.290 68.443 68.868 -0.225 0.000 0.932 287 T HN 0.998 nan 8.240 nan 0.000 0.474 288 G N 1.268 109.378 108.800 -1.150 0.000 2.175 288 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.244 288 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.244 288 G C -0.204 174.221 174.900 -0.792 0.000 0.982 288 G CA 0.089 44.181 45.100 -1.679 0.000 0.641 288 G HN 0.682 nan 8.290 nan 0.000 0.527 289 E N 0.825 120.722 120.200 -0.505 0.000 2.384 289 E HA 0.487 4.837 4.350 -0.001 0.000 0.266 289 E C 0.720 177.166 176.600 -0.257 0.000 1.012 289 E CA 0.209 56.421 56.400 -0.315 0.000 0.901 289 E CB 0.940 30.515 29.700 -0.208 0.000 0.967 289 E HN 0.650 nan 8.360 nan 0.000 0.435 290 A N 3.683 126.375 122.820 -0.213 0.000 2.404 290 A HA 0.069 4.389 4.320 -0.001 0.000 0.273 290 A C 0.813 178.453 177.584 0.093 0.000 1.144 290 A CA -0.326 51.654 52.037 -0.096 0.000 0.806 290 A CB 0.456 19.443 19.000 -0.023 0.000 1.080 290 A HN 0.485 nan 8.150 nan 0.000 0.509 291 K N 1.299 121.720 120.400 0.034 0.000 2.211 291 K HA 0.152 4.472 4.320 -0.001 0.000 0.201 291 K C -0.146 176.611 176.600 0.261 0.000 1.052 291 K CA 1.069 57.444 56.287 0.146 0.000 0.973 291 K CB -0.197 32.363 32.500 0.100 0.000 0.766 291 K HN 0.819 nan 8.250 nan 0.000 0.466 292 F N -2.239 117.778 119.950 0.111 0.000 2.713 292 F HA 0.649 5.175 4.527 -0.001 0.000 0.311 292 F C -1.882 173.864 175.800 -0.089 0.000 1.141 292 F CA -1.547 56.382 58.000 -0.118 0.000 0.939 292 F CB 1.179 40.120 39.000 -0.097 0.000 1.325 292 F HN -0.194 nan 8.300 nan 0.000 0.453 293 A N 1.880 124.652 122.820 -0.080 0.000 2.513 293 A HA 0.625 4.945 4.320 -0.001 0.000 0.296 293 A C -2.729 174.713 177.584 -0.238 0.000 1.052 293 A CA -0.580 51.177 52.037 -0.466 0.000 0.714 293 A CB 1.113 19.377 19.000 -1.225 0.000 1.279 293 A HN 1.378 nan 8.150 nan 0.000 0.397 294 Y N 1.923 121.995 120.300 -0.380 0.000 2.326 294 Y HA 0.562 5.112 4.550 -0.001 0.000 0.329 294 Y C -0.009 175.697 175.900 -0.322 0.000 0.973 294 Y CA -0.469 57.330 58.100 -0.502 0.000 1.162 294 Y CB 1.642 39.702 38.460 -0.666 0.000 1.147 294 Y HN 0.761 nan 8.280 nan 0.000 0.456 295 Q N 6.161 125.523 119.800 -0.731 0.000 2.323 295 Q HA 0.187 4.527 4.340 -0.001 0.000 0.257 295 Q C 0.183 175.559 176.000 -1.040 0.000 1.022 295 Q CA -0.011 55.416 55.803 -0.628 0.000 0.919 295 Q CB 0.932 29.471 28.738 -0.332 0.000 1.220 295 Q HN 0.920 nan 8.270 nan 0.000 0.427 296 K N 1.651 121.573 120.400 -0.797 0.000 2.076 296 K HA 0.016 4.336 4.320 -0.001 0.000 0.204 296 K C 0.064 176.587 176.600 -0.127 0.000 1.051 296 K CA 1.043 56.979 56.287 -0.586 0.000 0.949 296 K CB 0.492 32.675 32.500 -0.528 0.000 0.726 296 K HN 0.426 nan 8.250 nan 0.000 0.443 297 T N 2.931 117.434 114.554 -0.085 0.000 3.241 297 T HA 0.255 4.605 4.350 -0.001 0.000 0.387 297 T C -2.751 171.956 174.700 0.013 0.000 1.451 297 T CA -1.535 60.597 62.100 0.054 0.000 1.363 297 T CB 1.433 70.326 68.868 0.041 0.000 1.074 297 T HN -0.149 nan 8.240 nan 0.000 0.598 298 P HA 0.088 nan 4.420 nan 0.000 0.265 298 P C 0.118 177.447 177.300 0.048 0.000 1.193 298 P CA 0.266 63.351 63.100 -0.024 0.000 0.765 298 P CB 0.056 31.746 31.700 -0.017 0.000 0.823 299 H N 0.498 119.465 119.070 -0.171 0.000 2.591 299 H HA -0.261 4.295 4.556 -0.001 0.000 0.325 299 H C -0.134 175.075 175.328 -0.198 0.000 1.096 299 H CA 0.410 56.333 56.048 -0.208 0.000 1.108 299 H CB -1.604 28.050 29.762 -0.181 0.000 1.590 299 H HN 0.422 nan 8.280 nan 0.000 0.399 300 D N 1.229 121.425 120.400 -0.341 0.000 2.474 300 D HA -0.006 4.634 4.640 -0.001 0.000 0.232 300 D C 0.929 176.721 176.300 -0.847 0.000 1.177 300 D CA 1.386 55.149 54.000 -0.396 0.000 0.876 300 D CB 0.574 41.218 40.800 -0.258 0.000 1.208 300 D HN 0.753 nan 8.370 nan 0.000 0.464 301 E N 1.334 120.763 120.200 -1.284 0.000 2.744 301 E HA 0.107 4.456 4.350 -0.001 0.000 0.210 301 E C -0.207 174.983 176.600 -2.349 0.000 0.950 301 E CA -0.273 54.980 56.400 -1.911 0.000 1.282 301 E CB 0.583 28.784 29.700 -2.498 0.000 1.123 301 E HN 0.609 nan 8.360 nan 0.000 0.544 302 W N 0.547 121.126 121.300 -1.201 0.000 2.036 302 W HA 0.165 4.825 4.660 -0.001 0.000 0.298 302 W C 0.099 176.056 176.519 -0.936 0.000 0.885 302 W CA -0.400 56.085 57.345 -1.434 0.000 1.488 302 W CB 0.723 29.023 29.460 -1.933 0.000 1.079 302 W HN 0.038 nan 8.180 nan 0.000 0.506 303 D N 0.772 120.829 120.400 -0.572 0.000 2.870 303 D HA -0.256 4.383 4.640 -0.001 0.000 0.228 303 D C -0.313 175.920 176.300 -0.112 0.000 1.147 303 D CA 0.846 54.561 54.000 -0.475 0.000 0.757 303 D CB -1.924 38.312 40.800 -0.941 0.000 1.091 303 D HN 0.412 nan 8.370 nan 0.000 0.429 304 Y N 0.037 120.300 120.300 -0.062 0.000 3.028 304 Y HA 0.401 4.950 4.550 -0.001 0.000 0.381 304 Y C 1.661 177.575 175.900 0.023 0.000 1.139 304 Y CA -0.530 57.545 58.100 -0.042 0.000 2.013 304 Y CB -0.368 37.981 38.460 -0.184 0.000 2.146 304 Y HN 0.284 nan 8.280 nan 0.000 0.412 305 A N 1.033 123.998 122.820 0.241 0.000 2.581 305 A HA -0.010 4.309 4.320 -0.001 0.000 0.257 305 A C 1.317 178.994 177.584 0.154 0.000 1.022 305 A CA 0.731 52.923 52.037 0.257 0.000 0.812 305 A CB -0.232 19.055 19.000 0.478 0.000 0.918 305 A HN 0.783 nan 8.150 nan 0.000 0.516 306 G N 1.896 110.765 108.800 0.115 0.000 3.541 306 G HA2 0.366 4.325 3.960 -0.001 0.000 0.253 306 G HA3 0.366 4.325 3.960 -0.001 0.000 0.253 306 G C 0.663 175.588 174.900 0.041 0.000 1.017 306 G CA 0.478 45.630 45.100 0.086 0.000 1.832 306 G HN 1.640 nan 8.290 nan 0.000 0.649 307 V N -2.832 116.996 119.914 -0.143 0.000 3.621 307 V HA 0.231 4.351 4.120 -0.001 0.000 0.285 307 V C 0.601 176.577 176.094 -0.196 0.000 1.346 307 V CA -0.972 61.137 62.300 -0.319 0.000 1.104 307 V CB -0.793 30.427 31.823 -1.004 0.000 0.913 307 V HN 0.141 nan 8.190 nan 0.000 0.432 308 N N 1.388 120.075 118.700 -0.022 0.000 2.237 308 N HA 0.070 4.810 4.740 -0.001 0.000 0.222 308 N C 0.075 175.735 175.510 0.250 0.000 1.311 308 N CA 0.438 53.518 53.050 0.049 0.000 0.880 308 N CB 0.493 38.849 38.487 -0.218 0.000 1.106 308 N HN 0.277 nan 8.380 nan 0.000 0.435 309 V N 0.859 120.879 119.914 0.176 0.000 2.928 309 V HA -0.085 4.035 4.120 -0.001 0.000 0.307 309 V C 0.152 176.312 176.094 0.111 0.000 1.105 309 V CA 0.446 62.758 62.300 0.021 0.000 1.223 309 V CB 0.181 31.744 31.823 -0.433 0.000 0.930 309 V HN 0.518 nan 8.190 nan 0.000 0.499 310 M N 7.688 127.322 119.600 0.057 0.000 2.043 310 M HA 0.545 5.025 4.480 -0.001 0.000 0.322 310 M C -0.670 175.662 176.300 0.054 0.000 0.962 310 M CA 0.193 55.543 55.300 0.083 0.000 0.927 310 M CB 1.299 33.976 32.600 0.127 0.000 1.466 310 M HN 0.576 nan 8.290 nan 0.000 0.412 311 M N 5.200 124.822 119.600 0.037 0.000 2.149 311 M HA 0.502 4.982 4.480 -0.001 0.000 0.342 311 M C -1.094 175.245 176.300 0.064 0.000 1.068 311 M CA -0.447 54.918 55.300 0.108 0.000 0.991 311 M CB 1.100 33.837 32.600 0.228 0.000 1.596 311 M HN 0.453 nan 8.290 nan 0.000 0.439 312 L N 2.701 123.967 121.223 0.071 0.000 2.334 312 L HA 0.720 5.060 4.340 -0.001 0.000 0.277 312 L C 0.235 177.075 176.870 -0.050 0.000 1.075 312 L CA -0.388 54.454 54.840 0.003 0.000 0.804 312 L CB 1.405 43.500 42.059 0.061 0.000 1.174 312 L HN 0.876 nan 8.230 nan 0.000 0.438 313 S N 1.214 116.848 115.700 -0.110 0.000 2.588 313 S HA 0.536 5.005 4.470 -0.001 0.000 0.269 313 S C -1.186 173.373 174.600 -0.069 0.000 1.157 313 S CA -1.040 57.063 58.200 -0.161 0.000 0.824 313 S CB 2.262 65.104 63.200 -0.597 0.000 1.126 313 S HN 0.534 nan 8.310 nan 0.000 0.464 314 E N 1.091 121.284 120.200 -0.013 0.000 2.149 314 E HA 0.483 4.833 4.350 -0.001 0.000 0.255 314 E C -0.702 175.909 176.600 0.018 0.000 0.888 314 E CA -0.246 56.156 56.400 0.003 0.000 0.742 314 E CB 1.459 31.170 29.700 0.018 0.000 1.164 314 E HN 0.558 nan 8.360 nan 0.000 0.422 315 Q N 1.047 120.851 119.800 0.007 0.000 2.495 315 Q HA 0.426 4.766 4.340 -0.001 0.000 0.283 315 Q C -0.514 175.488 176.000 0.004 0.000 1.097 315 Q CA -1.068 54.746 55.803 0.019 0.000 0.836 315 Q CB 2.047 30.805 28.738 0.033 0.000 1.426 315 Q HN 0.369 nan 8.270 nan 0.000 0.459 316 E N 1.186 121.387 120.200 0.002 0.000 2.313 316 E HA 0.056 4.405 4.350 -0.001 0.000 0.276 316 E C -0.891 175.701 176.600 -0.013 0.000 1.031 316 E CA -0.359 56.036 56.400 -0.007 0.000 0.857 316 E CB 0.806 30.501 29.700 -0.008 0.000 1.040 316 E HN 0.333 nan 8.360 nan 0.000 0.408 317 D N 1.676 122.065 120.400 -0.018 0.000 2.364 317 D HA -0.078 4.561 4.640 -0.001 0.000 0.236 317 D C 0.756 177.041 176.300 -0.025 0.000 1.221 317 D CA 0.457 54.443 54.000 -0.024 0.000 0.891 317 D CB 0.797 41.581 40.800 -0.026 0.000 1.190 317 D HN 0.311 nan 8.370 nan 0.000 0.449 318 K N -0.029 120.354 120.400 -0.029 0.000 2.432 318 K HA -0.075 4.245 4.320 -0.001 0.000 0.196 318 K C 1.281 177.864 176.600 -0.027 0.000 1.038 318 K CA 0.628 56.897 56.287 -0.030 0.000 0.986 318 K CB 0.131 32.611 32.500 -0.033 0.000 0.782 318 K HN 0.431 nan 8.250 nan 0.000 0.485 319 Q N -1.255 118.529 119.800 -0.027 0.000 2.198 319 Q HA 0.181 4.521 4.340 -0.001 0.000 0.209 319 Q C 0.356 176.344 176.000 -0.021 0.000 0.848 319 Q CA 0.298 56.086 55.803 -0.025 0.000 0.974 319 Q CB 0.775 29.497 28.738 -0.027 0.000 1.115 319 Q HN 0.184 nan 8.270 nan 0.000 0.494 320 G N 1.028 109.816 108.800 -0.020 0.000 2.171 320 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.238 320 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.238 320 G C -0.497 174.393 174.900 -0.016 0.000 1.039 320 G CA 0.092 45.182 45.100 -0.017 0.000 0.759 320 G HN 0.433 nan 8.290 nan 0.000 0.501 321 Q N -1.317 118.473 119.800 -0.017 0.000 2.394 321 Q HA 0.682 5.022 4.340 -0.001 0.000 0.273 321 Q C -0.140 175.851 176.000 -0.015 0.000 1.089 321 Q CA -1.250 54.543 55.803 -0.016 0.000 0.812 321 Q CB 1.721 30.448 28.738 -0.019 0.000 1.353 321 Q HN 0.211 nan 8.270 nan 0.000 0.438 322 M N 2.481 122.074 119.600 -0.011 0.000 2.227 322 M HA 0.121 4.600 4.480 -0.001 0.000 0.349 322 M C -0.904 175.388 176.300 -0.013 0.000 1.443 322 M CA 0.793 56.088 55.300 -0.009 0.000 1.110 322 M CB 0.132 32.730 32.600 -0.003 0.000 1.773 322 M HN 0.322 nan 8.290 nan 0.000 0.463 323 R N 4.302 124.793 120.500 -0.016 0.000 2.711 323 R HA 0.438 4.778 4.340 -0.001 0.000 0.284 323 R C -0.745 175.541 176.300 -0.024 0.000 0.968 323 R CA -0.919 55.167 56.100 -0.025 0.000 0.924 323 R CB 1.515 31.794 30.300 -0.034 0.000 1.162 323 R HN 0.594 nan 8.270 nan 0.000 0.465 324 K N 3.312 123.697 120.400 -0.026 0.000 2.284 324 K HA 0.317 4.636 4.320 -0.001 0.000 0.287 324 K C -0.124 176.445 176.600 -0.052 0.000 1.081 324 K CA -0.088 56.184 56.287 -0.025 0.000 0.910 324 K CB 0.621 33.117 32.500 -0.006 0.000 1.088 324 K HN 0.288 nan 8.250 nan 0.000 0.478 325 L N 3.079 124.263 121.223 -0.064 0.000 2.335 325 L HA 0.671 5.011 4.340 -0.001 0.000 0.268 325 L C -0.481 176.309 176.870 -0.133 0.000 1.016 325 L CA -1.291 53.494 54.840 -0.091 0.000 0.805 325 L CB 1.016 43.035 42.059 -0.066 0.000 1.311 325 L HN 0.475 nan 8.230 nan 0.000 0.456 326 L N -0.041 121.095 121.223 -0.145 0.000 2.528 326 L HA 0.517 4.857 4.340 -0.001 0.000 0.267 326 L C -1.362 175.430 176.870 -0.131 0.000 0.961 326 L CA 0.035 54.770 54.840 -0.176 0.000 0.866 326 L CB 1.965 43.851 42.059 -0.288 0.000 1.248 326 L HN 0.557 nan 8.230 nan 0.000 0.404 327 T N 2.042 116.503 114.554 -0.155 0.000 2.855 327 T HA 0.482 4.832 4.350 -0.001 0.000 0.281 327 T C -1.357 173.253 174.700 -0.150 0.000 1.007 327 T CA -0.261 61.673 62.100 -0.277 0.000 1.009 327 T CB 1.045 69.416 68.868 -0.829 0.000 0.983 327 T HN 0.647 nan 8.240 nan 0.000 0.455 328 H N 3.215 122.144 119.070 -0.234 0.000 3.240 328 H HA 0.353 4.909 4.556 -0.001 0.000 0.326 328 H C -2.901 172.323 175.328 -0.173 0.000 1.015 328 H CA -1.703 54.243 56.048 -0.171 0.000 1.504 328 H CB 1.633 31.355 29.762 -0.067 0.000 1.754 328 H HN 0.233 nan 8.280 nan 0.000 0.505 329 P HA 0.110 nan 4.420 nan 0.000 0.277 329 P C -0.405 176.498 177.300 -0.661 0.000 1.354 329 P CA -0.043 62.703 63.100 -0.590 0.000 0.891 329 P CB 0.854 32.131 31.700 -0.706 0.000 1.058 330 D N 2.211 122.360 120.400 -0.418 0.000 2.354 330 D HA 0.109 4.748 4.640 -0.001 0.000 0.247 330 D C 1.637 177.843 176.300 -0.156 0.000 1.138 330 D CA -0.578 53.248 54.000 -0.290 0.000 0.958 330 D CB 1.032 41.845 40.800 0.020 0.000 1.144 330 D HN 0.066 nan 8.370 nan 0.000 0.458 331 R N 0.723 121.163 120.500 -0.100 0.000 2.152 331 R HA -0.125 4.215 4.340 -0.001 0.000 0.232 331 R C 1.276 177.349 176.300 -0.377 0.000 1.117 331 R CA 1.053 57.113 56.100 -0.067 0.000 0.981 331 R CB -0.435 29.921 30.300 0.094 0.000 0.870 331 R HN 0.569 nan 8.270 nan 0.000 0.451 332 N N -0.408 117.967 118.700 -0.540 0.000 2.609 332 N HA -0.054 4.686 4.740 -0.001 0.000 0.190 332 N C 1.047 176.249 175.510 -0.513 0.000 1.157 332 N CA 1.205 53.573 53.050 -1.137 0.000 0.918 332 N CB 0.062 38.194 38.487 -0.592 0.000 0.978 332 N HN 0.272 nan 8.380 nan 0.000 0.448 333 G N -1.184 107.431 108.800 -0.309 0.000 2.179 333 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.220 333 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.220 333 G C -0.354 174.455 174.900 -0.153 0.000 0.990 333 G CA 0.127 45.108 45.100 -0.198 0.000 0.646 333 G HN 0.260 nan 8.290 nan 0.000 0.517 334 I N 1.060 121.529 120.570 -0.168 0.000 2.437 334 I HA 0.601 4.771 4.170 -0.001 0.000 0.298 334 I C 0.302 176.178 176.117 -0.402 0.000 0.984 334 I CA -1.187 59.907 61.300 -0.345 0.000 1.214 334 I CB 1.550 39.223 38.000 -0.544 0.000 1.365 334 I HN -0.015 nan 8.210 nan 0.000 0.469 335 V N 7.949 127.563 119.914 -0.500 0.000 2.294 335 V HA 0.354 4.474 4.120 -0.001 0.000 0.272 335 V C -0.878 174.979 176.094 -0.394 0.000 1.027 335 V CA -0.326 61.697 62.300 -0.462 0.000 0.823 335 V CB 0.383 31.777 31.823 -0.715 0.000 1.030 335 V HN 0.470 nan 8.190 nan 0.000 0.457 336 Y N 3.628 123.844 120.300 -0.141 0.000 2.299 336 Y HA 0.594 5.143 4.550 -0.001 0.000 0.326 336 Y C 0.953 176.798 175.900 -0.092 0.000 1.164 336 Y CA -0.227 57.835 58.100 -0.063 0.000 1.234 336 Y CB 1.671 40.160 38.460 0.049 0.000 1.219 336 Y HN 0.493 nan 8.280 nan 0.000 0.497 337 T N 5.127 119.708 114.554 0.046 0.000 2.879 337 T HA 0.674 5.024 4.350 -0.001 0.000 0.290 337 T C -0.808 173.864 174.700 -0.047 0.000 0.993 337 T CA -0.709 61.374 62.100 -0.029 0.000 0.975 337 T CB 0.549 69.391 68.868 -0.043 0.000 0.981 337 T HN 0.398 nan 8.240 nan 0.000 0.439 338 L N 1.556 122.730 121.223 -0.081 0.000 2.327 338 L HA 0.603 4.943 4.340 -0.001 0.000 0.258 338 L C -0.449 176.334 176.870 -0.145 0.000 1.024 338 L CA -1.322 53.440 54.840 -0.129 0.000 0.825 338 L CB 1.712 43.675 42.059 -0.160 0.000 1.386 338 L HN 0.467 nan 8.230 nan 0.000 0.417 339 D N 1.252 121.548 120.400 -0.174 0.000 2.344 339 D HA 0.050 4.689 4.640 -0.001 0.000 0.253 339 D C 1.026 177.211 176.300 -0.191 0.000 1.255 339 D CA -0.320 53.587 54.000 -0.155 0.000 0.894 339 D CB 0.908 41.617 40.800 -0.151 0.000 1.067 339 D HN 0.517 nan 8.370 nan 0.000 0.492 340 R N 1.637 122.063 120.500 -0.123 0.000 2.395 340 R HA -0.060 4.279 4.340 -0.001 0.000 0.202 340 R C 0.837 177.266 176.300 0.215 0.000 1.088 340 R CA 1.117 57.198 56.100 -0.032 0.000 1.090 340 R CB -0.574 29.565 30.300 -0.269 0.000 0.876 340 R HN 0.332 nan 8.270 nan 0.000 0.477 341 T N -4.945 109.637 114.554 0.048 0.000 3.043 341 T HA 0.251 4.600 4.350 -0.001 0.000 0.272 341 T C 0.945 175.633 174.700 -0.020 0.000 0.990 341 T CA -0.499 61.662 62.100 0.101 0.000 0.897 341 T CB 0.312 69.210 68.868 0.051 0.000 1.111 341 T HN 0.132 nan 8.240 nan 0.000 0.529 342 N N 0.589 119.135 118.700 -0.256 0.000 2.486 342 N HA 0.273 5.013 4.740 -0.001 0.000 0.242 342 N C 1.453 176.499 175.510 -0.773 0.000 1.083 342 N CA 1.278 54.115 53.050 -0.355 0.000 0.844 342 N CB 1.150 39.485 38.487 -0.254 0.000 1.527 342 N HN 0.549 nan 8.380 nan 0.000 0.462 343 G N 1.340 109.459 108.800 -1.136 0.000 2.159 343 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.227 343 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.227 343 G C -0.744 173.940 174.900 -0.360 0.000 0.986 343 G CA 0.005 44.357 45.100 -1.247 0.000 0.651 343 G HN 0.291 nan 8.290 nan 0.000 0.523 344 D N 0.249 120.453 120.400 -0.326 0.000 2.450 344 D HA 0.363 5.003 4.640 -0.001 0.000 0.247 344 D C 0.626 176.844 176.300 -0.137 0.000 1.162 344 D CA -0.127 53.768 54.000 -0.175 0.000 0.879 344 D CB 1.021 41.723 40.800 -0.164 0.000 1.163 344 D HN 0.234 nan 8.370 nan 0.000 0.472 345 L N 4.337 125.515 121.223 -0.075 0.000 2.369 345 L HA 0.213 4.553 4.340 -0.001 0.000 0.279 345 L C 0.392 177.212 176.870 -0.082 0.000 1.108 345 L CA 0.516 55.279 54.840 -0.128 0.000 0.852 345 L CB 0.330 42.299 42.059 -0.149 0.000 1.169 345 L HN 0.542 nan 8.230 nan 0.000 0.452 346 I N 1.445 121.966 120.570 -0.081 0.000 3.445 346 I HA 0.169 4.338 4.170 -0.001 0.000 0.288 346 I C 0.236 176.323 176.117 -0.049 0.000 1.198 346 I CA 0.267 61.530 61.300 -0.061 0.000 1.417 346 I CB 0.336 38.299 38.000 -0.062 0.000 1.205 346 I HN 0.543 nan 8.210 nan 0.000 0.448 347 S N 0.372 116.044 115.700 -0.047 0.000 2.541 347 S HA 0.760 5.230 4.470 -0.001 0.000 0.271 347 S C -0.783 173.766 174.600 -0.085 0.000 1.133 347 S CA -0.526 57.648 58.200 -0.044 0.000 0.876 347 S CB 2.519 65.716 63.200 -0.005 0.000 1.105 347 S HN 0.158 nan 8.310 nan 0.000 0.470 348 A N 2.491 125.228 122.820 -0.139 0.000 3.005 348 A HA 0.520 4.840 4.320 -0.001 0.000 0.308 348 A C -1.241 176.172 177.584 -0.285 0.000 1.173 348 A CA -0.694 51.152 52.037 -0.319 0.000 0.796 348 A CB 0.313 19.148 19.000 -0.276 0.000 1.325 348 A HN 0.624 nan 8.150 nan 0.000 0.467 349 D N 1.304 121.552 120.400 -0.253 0.000 2.268 349 D HA 0.305 4.944 4.640 -0.001 0.000 0.249 349 D C -0.309 175.835 176.300 -0.259 0.000 1.008 349 D CA -0.210 53.680 54.000 -0.185 0.000 0.939 349 D CB 1.483 42.268 40.800 -0.024 0.000 1.170 349 D HN 0.388 nan 8.370 nan 0.000 0.468 350 K N 1.128 121.412 120.400 -0.192 0.000 2.276 350 K HA 0.228 4.548 4.320 -0.001 0.000 0.283 350 K C 1.168 177.687 176.600 -0.136 0.000 1.044 350 K CA -0.163 56.018 56.287 -0.176 0.000 0.944 350 K CB 1.283 33.696 32.500 -0.144 0.000 1.012 350 K HN 0.277 nan 8.250 nan 0.000 0.472 351 M N 0.892 120.419 119.600 -0.123 0.000 2.557 351 M HA -0.068 4.411 4.480 -0.001 0.000 0.259 351 M C 0.235 176.531 176.300 -0.007 0.000 1.086 351 M CA 1.238 56.476 55.300 -0.103 0.000 1.096 351 M CB 0.124 32.681 32.600 -0.072 0.000 1.424 351 M HN 0.559 nan 8.290 nan 0.000 0.488 352 D N -0.427 120.010 120.400 0.060 0.000 2.878 352 D HA 0.014 4.654 4.640 -0.001 0.000 0.211 352 D C -0.734 175.619 176.300 0.088 0.000 1.271 352 D CA -0.147 53.906 54.000 0.088 0.000 0.845 352 D CB 1.316 42.199 40.800 0.137 0.000 1.679 352 D HN 0.143 nan 8.370 nan 0.000 0.536 353 D N 0.711 121.137 120.400 0.043 0.000 2.311 353 D HA -0.203 4.436 4.640 -0.001 0.000 0.212 353 D C 1.580 177.889 176.300 0.016 0.000 0.972 353 D CA 1.805 55.810 54.000 0.009 0.000 0.887 353 D CB -0.208 40.593 40.800 0.002 0.000 0.915 353 D HN 0.397 nan 8.370 nan 0.000 0.497 354 T N -2.114 112.501 114.554 0.102 0.000 3.072 354 T HA 0.006 4.356 4.350 -0.001 0.000 0.266 354 T C 0.991 175.685 174.700 -0.009 0.000 1.127 354 T CA -0.088 62.071 62.100 0.098 0.000 1.107 354 T CB -0.688 68.322 68.868 0.237 0.000 0.910 354 T HN 0.022 nan 8.240 nan 0.000 0.513 355 V N 4.519 124.404 119.914 -0.049 0.000 2.509 355 V HA 0.094 4.214 4.120 -0.001 0.000 0.297 355 V C 1.128 177.025 176.094 -0.329 0.000 1.014 355 V CA 0.371 62.513 62.300 -0.264 0.000 1.127 355 V CB -0.260 31.394 31.823 -0.282 0.000 0.925 355 V HN 0.775 nan 8.190 nan 0.000 0.480 356 N N 4.305 122.761 118.700 -0.407 0.000 2.159 356 N HA -0.025 4.715 4.740 -0.001 0.000 0.217 356 N C 1.159 176.370 175.510 -0.499 0.000 1.223 356 N CA -0.161 52.557 53.050 -0.554 0.000 0.896 356 N CB 0.023 37.965 38.487 -0.907 0.000 1.064 356 N HN 0.763 nan 8.380 nan 0.000 0.518 357 W N 1.579 122.604 121.300 -0.459 0.000 2.519 357 W HA 0.243 4.903 4.660 -0.001 0.000 0.266 357 W C -0.583 175.797 176.519 -0.232 0.000 1.253 357 W CA 0.244 57.368 57.345 -0.368 0.000 1.274 357 W CB -0.723 28.239 29.460 -0.830 0.000 1.114 357 W HN -0.087 nan 8.180 nan 0.000 0.596 358 V N -0.477 118.699 119.914 -1.229 0.000 2.680 358 V HA 0.399 4.518 4.120 -0.001 0.000 0.309 358 V C 0.850 176.586 176.094 -0.596 0.000 1.052 358 V CA -1.310 60.342 62.300 -1.079 0.000 0.908 358 V CB 2.077 32.941 31.823 -1.597 0.000 1.001 358 V HN -0.154 nan 8.190 nan 0.000 0.431 359 K N 1.853 122.032 120.400 -0.369 0.000 2.098 359 K HA 0.183 4.503 4.320 -0.001 0.000 0.203 359 K C 0.332 176.786 176.600 -0.243 0.000 1.051 359 K CA 1.461 57.604 56.287 -0.239 0.000 0.957 359 K CB 0.285 32.703 32.500 -0.138 0.000 0.738 359 K HN 1.002 nan 8.250 nan 0.000 0.447 360 E N -1.163 118.885 120.200 -0.254 0.000 2.403 360 E HA 0.237 4.587 4.350 -0.001 0.000 0.280 360 E C -1.486 175.009 176.600 -0.176 0.000 1.101 360 E CA -0.850 55.425 56.400 -0.209 0.000 0.856 360 E CB 1.251 30.869 29.700 -0.136 0.000 1.303 360 E HN -0.244 nan 8.360 nan 0.000 0.441 361 V N 1.701 121.534 119.914 -0.135 0.000 2.384 361 V HA 0.243 4.362 4.120 -0.001 0.000 0.287 361 V C -0.458 175.623 176.094 -0.021 0.000 1.020 361 V CA -0.686 61.582 62.300 -0.054 0.000 0.850 361 V CB 1.277 33.082 31.823 -0.029 0.000 0.987 361 V HN 0.549 nan 8.190 nan 0.000 0.436 362 Q N 4.585 124.396 119.800 0.018 0.000 2.307 362 Q HA 0.370 4.710 4.340 -0.001 0.000 0.259 362 Q C 0.690 176.717 176.000 0.045 0.000 0.998 362 Q CA -0.332 55.482 55.803 0.019 0.000 0.923 362 Q CB 1.365 30.119 28.738 0.027 0.000 1.196 362 Q HN 0.656 nan 8.270 nan 0.000 0.416 363 L N 1.983 123.214 121.223 0.014 0.000 2.376 363 L HA -0.167 4.172 4.340 -0.001 0.000 0.219 363 L C 1.544 178.434 176.870 0.033 0.000 1.133 363 L CA 0.749 55.598 54.840 0.016 0.000 0.816 363 L CB -0.376 41.673 42.059 -0.017 0.000 0.933 363 L HN 0.752 nan 8.230 nan 0.000 0.449 364 D N -1.315 119.095 120.400 0.016 0.000 2.216 364 D HA -0.134 4.506 4.640 -0.001 0.000 0.208 364 D C 1.886 178.177 176.300 -0.015 0.000 0.960 364 D CA 1.618 55.604 54.000 -0.024 0.000 0.861 364 D CB -0.306 40.462 40.800 -0.054 0.000 0.985 364 D HN 0.289 nan 8.370 nan 0.000 0.493 365 T N -4.120 110.479 114.554 0.074 0.000 3.034 365 T HA 0.370 4.719 4.350 -0.001 0.000 0.248 365 T C 1.860 176.785 174.700 0.376 0.000 1.040 365 T CA 0.952 63.156 62.100 0.173 0.000 1.107 365 T CB 0.131 69.069 68.868 0.117 0.000 0.932 365 T HN 0.373 nan 8.240 nan 0.000 0.474 366 G N 1.158 110.129 108.800 0.285 0.000 2.179 366 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.260 366 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.260 366 G C -0.251 174.858 174.900 0.349 0.000 0.977 366 G CA 0.123 45.430 45.100 0.345 0.000 0.641 366 G HN 0.577 nan 8.290 nan 0.000 0.533 367 L N 1.602 122.962 121.223 0.229 0.000 2.326 367 L HA 0.573 4.912 4.340 -0.001 0.000 0.278 367 L C -1.958 174.985 176.870 0.121 0.000 1.092 367 L CA -2.064 52.875 54.840 0.165 0.000 0.810 367 L CB 1.068 43.199 42.059 0.120 0.000 1.153 367 L HN -0.103 nan 8.230 nan 0.000 0.439 368 P HA 0.211 nan 4.420 nan 0.000 0.293 368 P C -0.821 176.468 177.300 -0.018 0.000 1.300 368 P CA -0.510 62.605 63.100 0.024 0.000 0.792 368 P CB 1.078 32.833 31.700 0.091 0.000 0.925 369 V N 5.503 125.365 119.914 -0.087 0.000 2.352 369 V HA 0.111 4.231 4.120 -0.001 0.000 0.253 369 V C 1.057 177.094 176.094 -0.095 0.000 1.083 369 V CA -0.169 62.094 62.300 -0.061 0.000 0.993 369 V CB -0.976 30.809 31.823 -0.063 0.000 1.111 369 V HN 0.473 nan 8.190 nan 0.000 0.490 370 R N 2.834 123.339 120.500 0.008 0.000 2.679 370 R HA 0.154 4.494 4.340 -0.001 0.000 0.268 370 R C 0.012 176.356 176.300 0.074 0.000 1.044 370 R CA -0.226 55.925 56.100 0.084 0.000 1.105 370 R CB 0.448 30.898 30.300 0.251 0.000 0.989 370 R HN 0.592 nan 8.270 nan 0.000 0.447 371 D N 2.825 123.297 120.400 0.121 0.000 2.473 371 D HA 0.194 4.834 4.640 -0.001 0.000 0.226 371 D C -1.838 174.601 176.300 0.232 0.000 1.089 371 D CA -2.676 51.420 54.000 0.159 0.000 0.883 371 D CB 1.423 42.343 40.800 0.201 0.000 1.029 371 D HN 0.135 nan 8.370 nan 0.000 0.517 372 P HA -0.213 nan 4.420 nan 0.000 0.219 372 P C 1.009 178.358 177.300 0.082 0.000 1.151 372 P CA 1.040 64.213 63.100 0.121 0.000 0.850 372 P CB 0.263 31.998 31.700 0.059 0.000 0.784 373 E N -1.760 118.455 120.200 0.025 0.000 2.333 373 E HA -0.144 4.206 4.350 -0.001 0.000 0.198 373 E C 0.330 176.657 176.600 -0.454 0.000 1.007 373 E CA 0.690 56.953 56.400 -0.228 0.000 0.845 373 E CB -0.242 29.252 29.700 -0.343 0.000 0.766 373 E HN 0.287 nan 8.360 nan 0.000 0.507 374 F N -0.710 119.356 119.950 0.193 0.000 2.764 374 F HA 0.350 4.876 4.527 -0.001 0.000 0.310 374 F C 0.784 176.842 175.800 0.429 0.000 1.124 374 F CA -0.395 57.759 58.000 0.256 0.000 1.252 374 F CB 1.073 40.187 39.000 0.190 0.000 1.010 374 F HN -0.079 nan 8.300 nan 0.000 0.518 375 G N 0.175 109.249 108.800 0.456 0.000 2.535 375 G HA2 0.517 4.476 3.960 -0.001 0.000 0.303 375 G HA3 0.517 4.476 3.960 -0.001 0.000 0.303 375 G C -0.339 174.590 174.900 0.049 0.000 1.237 375 G CA -0.368 44.964 45.100 0.386 0.000 0.986 375 G HN 0.074 nan 8.290 nan 0.000 0.494 376 T N -2.475 111.872 114.554 -0.346 0.000 2.940 376 T HA 0.806 5.156 4.350 -0.001 0.000 0.288 376 T C -0.331 174.291 174.700 -0.130 0.000 1.033 376 T CA -0.841 61.054 62.100 -0.341 0.000 1.033 376 T CB 1.929 70.226 68.868 -0.951 0.000 1.079 376 T HN 1.064 nan 8.240 nan 0.000 0.496 377 R N 1.176 121.707 120.500 0.051 0.000 2.728 377 R HA 0.396 4.736 4.340 -0.001 0.000 0.259 377 R C -0.811 175.580 176.300 0.151 0.000 1.057 377 R CA -1.126 55.027 56.100 0.088 0.000 0.908 377 R CB 0.742 31.092 30.300 0.082 0.000 1.259 377 R HN 0.456 nan 8.270 nan 0.000 0.472 378 M N 2.131 121.803 119.600 0.120 0.000 2.247 378 M HA 0.006 4.485 4.480 -0.001 0.000 0.318 378 M C 0.030 176.418 176.300 0.146 0.000 1.054 378 M CA 1.414 56.791 55.300 0.129 0.000 1.117 378 M CB -0.522 32.138 32.600 0.100 0.000 1.515 378 M HN 0.883 nan 8.290 nan 0.000 0.442 379 D N 0.472 120.959 120.400 0.145 0.000 3.012 379 D HA -0.230 4.410 4.640 -0.001 0.000 0.222 379 D C -0.291 176.128 176.300 0.199 0.000 1.167 379 D CA 1.219 55.303 54.000 0.141 0.000 0.854 379 D CB -1.503 39.362 40.800 0.108 0.000 1.107 379 D HN 0.785 nan 8.370 nan 0.000 0.421 380 H N -0.012 119.112 119.070 0.091 0.000 2.954 380 H HA 0.452 5.007 4.556 -0.001 0.000 0.361 380 H C -1.253 174.150 175.328 0.125 0.000 1.122 380 H CA -0.770 55.330 56.048 0.087 0.000 1.217 380 H CB 1.399 31.198 29.762 0.062 0.000 1.776 380 H HN -0.092 nan 8.280 nan 0.000 0.533 381 K N 4.219 124.283 120.400 -0.561 0.000 2.347 381 K HA 0.668 4.988 4.320 -0.001 0.000 0.262 381 K C -0.812 175.451 176.600 -0.561 0.000 1.052 381 K CA -0.639 55.429 56.287 -0.364 0.000 0.946 381 K CB 0.418 32.868 32.500 -0.083 0.000 1.220 381 K HN 0.680 nan 8.250 nan 0.000 0.450 382 A N 4.422 127.015 122.820 -0.378 0.000 2.407 382 A HA 0.367 4.687 4.320 -0.001 0.000 0.248 382 A C -0.359 177.287 177.584 0.104 0.000 1.082 382 A CA -0.159 51.832 52.037 -0.076 0.000 0.785 382 A CB 0.423 19.477 19.000 0.091 0.000 1.020 382 A HN 0.871 nan 8.150 nan 0.000 0.489 383 R N 0.321 120.919 120.500 0.163 0.000 2.867 383 R HA 0.428 4.768 4.340 -0.001 0.000 0.268 383 R C -0.952 175.561 176.300 0.356 0.000 1.014 383 R CA -0.935 55.311 56.100 0.244 0.000 0.946 383 R CB 1.125 31.535 30.300 0.183 0.000 1.208 383 R HN 0.772 nan 8.270 nan 0.000 0.477 384 D N 1.157 121.802 120.400 0.409 0.000 2.692 384 D HA -0.204 4.436 4.640 -0.001 0.000 0.233 384 D C -0.409 176.131 176.300 0.401 0.000 1.172 384 D CA 1.147 55.405 54.000 0.430 0.000 0.636 384 D CB -0.846 40.174 40.800 0.366 0.000 1.028 384 D HN 0.365 nan 8.370 nan 0.000 0.419 385 I N 0.243 121.029 120.570 0.360 0.000 2.428 385 I HA 0.177 4.347 4.170 -0.001 0.000 0.289 385 I C 0.732 176.892 176.117 0.072 0.000 1.019 385 I CA -0.194 61.271 61.300 0.274 0.000 1.351 385 I CB 1.360 39.556 38.000 0.328 0.000 1.412 385 I HN 0.057 nan 8.210 nan 0.000 0.513 386 c N 6.911 125.458 118.600 -0.088 0.000 2.535 386 c HA 0.473 5.043 4.570 -0.001 0.000 0.319 386 c C -2.228 171.632 174.090 -0.383 0.000 1.171 386 c CA -1.310 54.893 56.329 -0.211 0.000 1.394 386 c CB 1.937 44.347 42.510 -0.166 0.000 1.990 386 c HN 0.513 nan 8.230 nan 0.000 0.466 387 P HA 0.246 nan 4.420 nan 0.000 0.277 387 P C -0.088 177.215 177.300 0.005 0.000 1.271 387 P CA 0.174 62.954 63.100 -0.534 0.000 0.795 387 P CB 0.765 32.033 31.700 -0.719 0.000 1.101 388 S N -0.711 115.052 115.700 0.106 0.000 2.632 388 S HA 0.380 4.850 4.470 -0.001 0.000 0.267 388 S C 1.623 176.388 174.600 0.275 0.000 1.193 388 S CA 0.076 58.374 58.200 0.164 0.000 1.003 388 S CB -0.365 62.876 63.200 0.068 0.000 1.073 388 S HN 0.506 nan 8.310 nan 0.000 0.553 389 A N 0.264 123.242 122.820 0.263 0.000 1.972 389 A HA -0.002 4.318 4.320 -0.001 0.000 0.219 389 A C 2.184 179.986 177.584 0.364 0.000 1.169 389 A CA 1.465 53.677 52.037 0.292 0.000 0.635 389 A CB -1.046 18.155 19.000 0.334 0.000 0.810 389 A HN 0.816 nan 8.150 nan 0.000 0.446 390 M N -0.499 119.210 119.600 0.182 0.000 2.630 390 M HA 0.146 4.626 4.480 -0.001 0.000 0.254 390 M C 1.166 177.664 176.300 0.331 0.000 1.092 390 M CA 0.595 56.029 55.300 0.224 0.000 1.087 390 M CB -0.680 31.952 32.600 0.052 0.000 1.453 390 M HN 0.565 nan 8.290 nan 0.000 0.509 391 G N 0.048 109.025 108.800 0.295 0.000 2.901 391 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.654 391 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.654 391 G C -0.190 174.887 174.900 0.295 0.000 1.550 391 G CA -0.500 44.729 45.100 0.216 0.000 0.978 391 G HN 0.558 nan 8.290 nan 0.000 0.566 392 Y N 0.204 120.508 120.300 0.006 0.000 2.578 392 Y HA 0.068 4.618 4.550 -0.001 0.000 0.297 392 Y C 1.431 177.364 175.900 0.055 0.000 1.176 392 Y CA 0.782 58.897 58.100 0.025 0.000 1.315 392 Y CB 0.267 38.717 38.460 -0.017 0.000 1.031 392 Y HN 0.663 nan 8.280 nan 0.000 0.524 393 H N -0.443 118.683 119.070 0.092 0.000 3.087 393 H HA 0.221 4.776 4.556 -0.001 0.000 0.348 393 H C -1.454 173.821 175.328 -0.088 0.000 1.092 393 H CA -0.519 55.517 56.048 -0.020 0.000 1.285 393 H CB 1.431 31.153 29.762 -0.068 0.000 1.875 393 H HN 0.096 nan 8.280 nan 0.000 0.512 394 N N 1.134 119.719 118.700 -0.192 0.000 3.084 394 N HA -0.037 4.703 4.740 -0.001 0.000 0.336 394 N C 1.096 176.569 175.510 -0.062 0.000 1.391 394 N CA 0.114 53.015 53.050 -0.249 0.000 0.712 394 N CB 1.078 38.929 38.487 -1.061 0.000 1.248 394 N HN 0.684 nan 8.380 nan 0.000 0.545 395 Q N -0.046 119.688 119.800 -0.110 0.000 2.443 395 Q HA 0.065 4.404 4.340 -0.001 0.000 0.213 395 Q C 0.659 176.919 176.000 0.432 0.000 0.982 395 Q CA 1.025 56.953 55.803 0.208 0.000 0.894 395 Q CB -0.954 28.003 28.738 0.365 0.000 0.947 395 Q HN 0.493 nan 8.270 nan 0.000 0.480 396 G N 0.985 109.883 108.800 0.163 0.000 2.225 396 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.245 396 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.245 396 G C -0.966 174.101 174.900 0.278 0.000 1.249 396 G CA -0.207 45.048 45.100 0.259 0.000 0.919 396 G HN 0.408 nan 8.290 nan 0.000 0.486 397 H N 2.999 122.036 119.070 -0.055 0.000 2.846 397 H HA 0.193 4.749 4.556 -0.001 0.000 0.278 397 H C -0.065 175.141 175.328 -0.204 0.000 1.117 397 H CA -0.534 55.194 56.048 -0.532 0.000 1.406 397 H CB 0.401 29.282 29.762 -1.469 0.000 1.445 397 H HN 0.458 nan 8.280 nan 0.000 0.469 398 D N 1.803 122.268 120.400 0.109 0.000 2.440 398 D HA 0.170 4.810 4.640 -0.001 0.000 0.269 398 D C 0.347 176.843 176.300 0.327 0.000 1.249 398 D CA -0.184 53.961 54.000 0.241 0.000 1.055 398 D CB 0.810 41.749 40.800 0.232 0.000 1.104 398 D HN 0.612 nan 8.370 nan 0.000 0.561 399 S N -1.445 114.456 115.700 0.336 0.000 2.661 399 S HA 0.602 5.072 4.470 -0.001 0.000 0.285 399 S C -1.482 173.343 174.600 0.375 0.000 1.138 399 S CA -0.913 57.506 58.200 0.365 0.000 0.855 399 S CB 1.785 65.200 63.200 0.358 0.000 1.136 399 S HN 0.460 nan 8.310 nan 0.000 0.484 400 Y N 0.931 121.310 120.300 0.131 0.000 2.406 400 Y HA 0.538 5.087 4.550 -0.001 0.000 0.340 400 Y C -1.551 174.237 175.900 -0.185 0.000 0.975 400 Y CA -0.919 57.084 58.100 -0.163 0.000 1.056 400 Y CB 1.823 40.109 38.460 -0.291 0.000 1.210 400 Y HN 0.839 nan 8.280 nan 0.000 0.448 401 D N 8.612 128.470 120.400 -0.904 0.000 2.428 401 D HA 0.258 4.898 4.640 -0.001 0.000 0.221 401 D C -1.873 173.631 176.300 -1.328 0.000 1.123 401 D CA -2.348 51.156 54.000 -0.828 0.000 0.869 401 D CB 1.812 42.436 40.800 -0.295 0.000 1.032 401 D HN 0.409 nan 8.370 nan 0.000 0.506 402 P HA -0.148 nan 4.420 nan 0.000 0.221 402 P C 1.062 178.090 177.300 -0.452 0.000 1.145 402 P CA 0.828 63.447 63.100 -0.802 0.000 0.795 402 P CB 0.716 32.111 31.700 -0.507 0.000 0.775 403 E N 0.451 120.410 120.200 -0.402 0.000 2.033 403 E HA -0.072 4.278 4.350 -0.001 0.000 0.189 403 E C 2.067 178.573 176.600 -0.155 0.000 0.979 403 E CA 0.630 56.924 56.400 -0.177 0.000 0.802 403 E CB 0.033 29.699 29.700 -0.057 0.000 0.763 403 E HN 0.130 nan 8.360 nan 0.000 0.449 404 R N 0.307 120.696 120.500 -0.185 0.000 2.297 404 R HA 0.122 4.462 4.340 -0.001 0.000 0.197 404 R C 0.107 176.301 176.300 -0.178 0.000 0.943 404 R CA 0.201 56.224 56.100 -0.128 0.000 1.038 404 R CB 0.118 30.376 30.300 -0.070 0.000 0.957 404 R HN 0.015 nan 8.270 nan 0.000 0.484 405 K N 0.640 120.848 120.400 -0.320 0.000 3.148 405 K HA -0.138 4.181 4.320 -0.001 0.000 0.267 405 K C -0.617 175.876 176.600 -0.179 0.000 0.996 405 K CA 0.822 56.956 56.287 -0.254 0.000 0.737 405 K CB -1.651 30.817 32.500 -0.054 0.000 1.308 405 K HN 0.219 nan 8.250 nan 0.000 0.470 406 V N -3.112 116.595 119.914 -0.346 0.000 2.962 406 V HA 0.765 4.885 4.120 -0.001 0.000 0.313 406 V C -0.283 175.668 176.094 -0.238 0.000 1.099 406 V CA -1.201 60.993 62.300 -0.177 0.000 0.971 406 V CB 1.732 33.490 31.823 -0.110 0.000 1.028 406 V HN 0.082 nan 8.190 nan 0.000 0.430 407 F N 2.274 122.331 119.950 0.177 0.000 2.436 407 F HA 0.745 5.271 4.527 -0.001 0.000 0.340 407 F C 0.214 176.064 175.800 0.084 0.000 1.113 407 F CA -0.709 57.425 58.000 0.224 0.000 1.022 407 F CB 2.043 41.207 39.000 0.273 0.000 1.128 407 F HN 0.354 nan 8.300 nan 0.000 0.466 408 M N 5.148 124.891 119.600 0.238 0.000 2.206 408 M HA 0.322 4.801 4.480 -0.001 0.000 0.353 408 M C -0.905 175.481 176.300 0.144 0.000 1.242 408 M CA -0.307 55.066 55.300 0.123 0.000 1.179 408 M CB 0.098 32.806 32.600 0.180 0.000 1.374 408 M HN 0.327 nan 8.290 nan 0.000 0.427 409 L N 2.358 123.623 121.223 0.071 0.000 2.276 409 L HA 0.589 4.928 4.340 -0.001 0.000 0.286 409 L C 0.938 177.821 176.870 0.021 0.000 1.061 409 L CA -0.789 54.107 54.840 0.094 0.000 0.807 409 L CB 1.080 43.172 42.059 0.055 0.000 1.177 409 L HN 0.741 nan 8.230 nan 0.000 0.429 410 G N 5.162 113.979 108.800 0.028 0.000 2.393 410 G HA2 0.553 4.513 3.960 -0.001 0.000 0.311 410 G HA3 0.553 4.513 3.960 -0.001 0.000 0.311 410 G C -0.246 174.548 174.900 -0.177 0.000 1.067 410 G CA -0.320 44.723 45.100 -0.095 0.000 1.000 410 G HN 0.444 nan 8.290 nan 0.000 0.422 411 I N 1.603 122.117 120.570 -0.094 0.000 2.676 411 I HA 0.285 4.454 4.170 -0.001 0.000 0.309 411 I C 0.025 176.128 176.117 -0.023 0.000 0.990 411 I CA -0.884 60.372 61.300 -0.072 0.000 1.168 411 I CB 2.051 40.016 38.000 -0.057 0.000 1.343 411 I HN 0.427 nan 8.210 nan 0.000 0.482 412 N N 1.399 120.103 118.700 0.006 0.000 2.361 412 N HA 0.360 5.099 4.740 -0.001 0.000 0.302 412 N C -1.099 174.370 175.510 -0.068 0.000 1.074 412 N CA -0.694 52.417 53.050 0.102 0.000 0.850 412 N CB 1.468 40.106 38.487 0.252 0.000 1.228 412 N HN 0.498 nan 8.380 nan 0.000 0.491 413 H N 1.963 120.945 119.070 -0.146 0.000 2.418 413 H HA 0.475 5.031 4.556 -0.001 0.000 0.238 413 H C -1.367 173.939 175.328 -0.037 0.000 1.403 413 H CA -0.310 55.562 56.048 -0.293 0.000 1.419 413 H CB -0.162 29.456 29.762 -0.240 0.000 1.463 413 H HN 0.437 nan 8.280 nan 0.000 0.515 414 I N 2.611 123.180 120.570 -0.001 0.000 2.582 414 I HA 0.377 4.547 4.170 -0.001 0.000 0.292 414 I C -0.437 175.711 176.117 0.053 0.000 1.066 414 I CA -0.716 60.594 61.300 0.017 0.000 1.053 414 I CB 1.904 39.938 38.000 0.057 0.000 1.241 414 I HN 0.416 nan 8.210 nan 0.000 0.421 415 c N 4.763 123.292 118.600 -0.119 0.000 3.119 415 c HA 0.915 5.484 4.570 -0.001 0.000 0.359 415 c C -0.192 173.606 174.090 -0.487 0.000 1.486 415 c CA -0.604 55.644 56.329 -0.135 0.000 1.556 415 c CB 1.875 44.416 42.510 0.050 0.000 2.063 415 c HN 0.911 nan 8.230 nan 0.000 0.454 416 M N -0.242 119.191 119.600 -0.278 0.000 2.833 416 M HA 0.617 5.097 4.480 -0.001 0.000 0.270 416 M C -2.530 173.867 176.300 0.161 0.000 1.209 416 M CA -0.327 54.829 55.300 -0.239 0.000 0.826 416 M CB 1.490 34.103 32.600 0.022 0.000 1.657 416 M HN 0.318 nan 8.290 nan 0.000 0.492 417 D N 1.060 121.605 120.400 0.242 0.000 2.248 417 D HA 0.638 5.278 4.640 -0.001 0.000 0.246 417 D C -1.915 174.596 176.300 0.351 0.000 1.027 417 D CA 0.413 54.598 54.000 0.309 0.000 0.853 417 D CB 2.020 42.993 40.800 0.289 0.000 1.243 417 D HN 0.612 nan 8.370 nan 0.000 0.462 418 W N 2.573 123.929 121.300 0.093 0.000 3.259 418 W HA 0.362 5.022 4.660 -0.000 0.000 0.331 418 W C -1.674 174.859 176.519 0.023 0.000 1.144 418 W CA -0.521 56.870 57.345 0.078 0.000 1.227 418 W CB 1.341 30.848 29.460 0.078 0.000 1.371 418 W HN 0.296 nan 8.180 nan 0.000 0.491 419 E N 7.977 128.325 120.200 0.247 0.000 2.281 419 E HA 0.358 4.708 4.350 -0.001 0.000 0.266 419 E C -2.565 174.098 176.600 0.105 0.000 0.893 419 E CA -1.881 54.654 56.400 0.225 0.000 0.798 419 E CB 3.480 33.260 29.700 0.132 0.000 1.245 419 E HN 0.030 nan 8.360 nan 0.000 0.410 420 P HA 0.384 nan 4.420 nan 0.000 0.278 420 P C -0.861 176.493 177.300 0.090 0.000 1.266 420 P CA -0.394 62.719 63.100 0.021 0.000 0.807 420 P CB 0.630 32.426 31.700 0.161 0.000 1.094 421 F N -2.238 117.722 119.950 0.017 0.000 2.654 421 F HA 0.515 5.042 4.527 -0.000 0.000 0.308 421 F C -0.751 175.063 175.800 0.024 0.000 1.108 421 F CA -1.636 56.375 58.000 0.017 0.000 0.957 421 F CB 0.574 39.571 39.000 -0.006 0.000 1.309 421 F HN -0.023 nan 8.300 nan 0.000 0.446 422 M N 4.358 124.133 119.600 0.292 0.000 2.243 422 M HA 0.529 5.009 4.480 -0.001 0.000 0.341 422 M C -0.631 175.853 176.300 0.307 0.000 1.130 422 M CA -0.271 55.154 55.300 0.209 0.000 1.162 422 M CB 0.950 33.649 32.600 0.165 0.000 1.497 422 M HN 0.746 nan 8.290 nan 0.000 0.456 423 L N 2.269 123.636 121.223 0.240 0.000 2.591 423 L HA 0.726 5.066 4.340 -0.001 0.000 0.257 423 L C -3.094 173.961 176.870 0.307 0.000 0.935 423 L CA -1.735 53.274 54.840 0.281 0.000 0.873 423 L CB 0.281 42.543 42.059 0.339 0.000 1.397 423 L HN 0.440 nan 8.230 nan 0.000 0.414 424 P HA 0.320 nan 4.420 nan 0.000 0.276 424 P C -1.576 175.772 177.300 0.081 0.000 1.252 424 P CA -0.088 63.104 63.100 0.153 0.000 0.802 424 P CB 1.047 32.786 31.700 0.064 0.000 1.035 425 Y N 1.755 121.912 120.300 -0.239 0.000 2.353 425 Y HA 0.395 4.945 4.550 -0.000 0.000 0.340 425 Y C -0.139 175.565 175.900 -0.328 0.000 0.972 425 Y CA -0.585 57.154 58.100 -0.602 0.000 1.157 425 Y CB 0.998 38.870 38.460 -0.980 0.000 1.157 425 Y HN 0.214 nan 8.280 nan 0.000 0.495 426 R N 5.297 125.212 120.500 -0.974 0.000 2.435 426 R HA 0.586 4.926 4.340 -0.001 0.000 0.308 426 R C -0.640 175.131 176.300 -0.882 0.000 0.975 426 R CA -1.023 54.630 56.100 -0.745 0.000 0.867 426 R CB 1.522 31.613 30.300 -0.348 0.000 1.171 426 R HN 0.867 nan 8.270 nan 0.000 0.470 427 A N 1.624 123.926 122.820 -0.864 0.000 2.573 427 A HA 0.295 4.615 4.320 -0.001 0.000 0.250 427 A C 1.387 178.794 177.584 -0.296 0.000 1.049 427 A CA 1.441 53.185 52.037 -0.488 0.000 0.767 427 A CB -0.435 18.442 19.000 -0.206 0.000 0.965 427 A HN 1.061 nan 8.150 nan 0.000 0.514 428 G N 1.280 109.938 108.800 -0.237 0.000 2.232 428 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.226 428 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.226 428 G C 0.237 175.024 174.900 -0.188 0.000 0.996 428 G CA 0.310 45.303 45.100 -0.178 0.000 0.626 428 G HN 0.848 nan 8.290 nan 0.000 0.509 429 Q N -0.492 119.181 119.800 -0.212 0.000 2.195 429 Q HA 0.698 5.038 4.340 -0.001 0.000 0.250 429 Q C -0.193 175.737 176.000 -0.117 0.000 0.988 429 Q CA -0.770 54.967 55.803 -0.109 0.000 0.911 429 Q CB 0.845 29.531 28.738 -0.086 0.000 1.258 429 Q HN 0.175 nan 8.270 nan 0.000 0.475 430 F N 0.822 120.745 119.950 -0.044 0.000 2.459 430 F HA 0.093 4.619 4.527 -0.001 0.000 0.346 430 F C 0.654 176.524 175.800 0.117 0.000 1.128 430 F CA 0.130 58.126 58.000 -0.007 0.000 1.268 430 F CB 0.334 39.286 39.000 -0.079 0.000 1.161 430 F HN 0.347 nan 8.300 nan 0.000 0.583 431 F N 3.544 123.522 119.950 0.046 0.000 2.577 431 F HA 0.391 4.917 4.527 -0.001 0.000 0.342 431 F C -0.097 175.660 175.800 -0.073 0.000 1.479 431 F CA -0.629 57.397 58.000 0.044 0.000 1.110 431 F CB -0.455 38.641 39.000 0.160 0.000 1.306 431 F HN 0.188 nan 8.300 nan 0.000 0.554 432 V N 1.063 120.838 119.914 -0.233 0.000 2.339 432 V HA 0.256 4.376 4.120 -0.001 0.000 0.234 432 V C 1.679 177.366 176.094 -0.678 0.000 1.053 432 V CA 1.342 63.221 62.300 -0.701 0.000 1.042 432 V CB -1.025 30.275 31.823 -0.871 0.000 0.678 432 V HN 0.675 nan 8.190 nan 0.000 0.475 433 G N 0.223 108.591 108.800 -0.721 0.000 2.248 433 G HA2 0.204 4.164 3.960 -0.001 0.000 0.263 433 G HA3 0.204 4.164 3.960 -0.001 0.000 0.263 433 G C -0.116 173.933 174.900 -1.419 0.000 1.082 433 G CA 0.350 44.679 45.100 -1.285 0.000 0.863 433 G HN 1.475 nan 8.290 nan 0.000 0.495 434 A N -1.140 121.015 122.820 -1.107 0.000 2.594 434 A HA 0.879 5.198 4.320 -0.001 0.000 0.296 434 A C -0.325 177.077 177.584 -0.303 0.000 1.061 434 A CA 0.251 51.882 52.037 -0.678 0.000 0.689 434 A CB 1.307 19.808 19.000 -0.833 0.000 1.280 434 A HN 1.015 nan 8.150 nan 0.000 0.406 435 T N 2.069 116.527 114.554 -0.160 0.000 2.792 435 T HA 0.614 4.964 4.350 -0.001 0.000 0.280 435 T C -0.650 174.006 174.700 -0.074 0.000 0.990 435 T CA -0.134 61.950 62.100 -0.027 0.000 0.960 435 T CB 0.593 69.513 68.868 0.087 0.000 0.939 435 T HN 0.432 nan 8.240 nan 0.000 0.439 436 L N 2.241 123.463 121.223 -0.002 0.000 2.304 436 L HA 0.775 5.114 4.340 -0.001 0.000 0.268 436 L C 0.359 177.298 176.870 0.116 0.000 1.010 436 L CA -0.481 54.408 54.840 0.082 0.000 0.813 436 L CB 2.052 44.201 42.059 0.150 0.000 1.315 436 L HN 0.573 nan 8.230 nan 0.000 0.445 437 T N 1.600 116.234 114.554 0.134 0.000 3.355 437 T HA 0.543 4.892 4.350 -0.001 0.000 0.324 437 T C -0.593 174.127 174.700 0.035 0.000 0.932 437 T CA -0.438 61.748 62.100 0.144 0.000 1.032 437 T CB 0.633 69.634 68.868 0.221 0.000 1.027 437 T HN 0.323 nan 8.240 nan 0.000 0.456 438 M N 3.361 122.938 119.600 -0.038 0.000 2.598 438 M HA 0.776 5.255 4.480 -0.001 0.000 0.317 438 M C -0.931 175.227 176.300 -0.237 0.000 1.201 438 M CA -0.835 54.287 55.300 -0.298 0.000 0.971 438 M CB 1.643 34.153 32.600 -0.151 0.000 1.657 438 M HN 0.731 nan 8.290 nan 0.000 0.470 439 Y N -1.545 118.758 120.300 0.005 0.000 2.779 439 Y HA 0.610 5.160 4.550 -0.001 0.000 0.340 439 Y C -3.257 172.615 175.900 -0.047 0.000 1.252 439 Y CA -3.078 55.001 58.100 -0.034 0.000 1.072 439 Y CB -0.578 37.883 38.460 0.002 0.000 1.343 439 Y HN 0.378 nan 8.280 nan 0.000 0.450 440 P HA 0.221 nan 4.420 nan 0.000 0.267 440 P C 0.288 177.687 177.300 0.166 0.000 1.200 440 P CA 0.718 63.884 63.100 0.111 0.000 0.772 440 P CB 0.661 32.406 31.700 0.075 0.000 0.855 441 G N 2.978 111.763 108.800 -0.024 0.000 2.651 441 G HA2 0.145 4.105 3.960 -0.001 0.000 0.260 441 G HA3 0.145 4.105 3.960 -0.001 0.000 0.260 441 G C -1.623 173.382 174.900 0.174 0.000 1.216 441 G CA -1.129 43.834 45.100 -0.229 0.000 0.913 441 G HN 0.328 nan 8.290 nan 0.000 0.535 442 P HA -0.109 nan 4.420 nan 0.000 0.218 442 P C 1.322 178.743 177.300 0.203 0.000 1.146 442 P CA 1.367 64.581 63.100 0.190 0.000 0.820 442 P CB 0.177 31.967 31.700 0.150 0.000 0.778 443 K N -1.301 119.309 120.400 0.350 0.000 2.404 443 K HA 0.207 4.527 4.320 -0.001 0.000 0.194 443 K C 1.316 177.906 176.600 -0.016 0.000 1.023 443 K CA -0.020 56.287 56.287 0.034 0.000 1.094 443 K CB 0.210 32.557 32.500 -0.256 0.000 0.841 443 K HN 0.158 nan 8.250 nan 0.000 0.523 444 G N 0.614 109.493 108.800 0.133 0.000 2.795 444 G HA2 0.051 4.010 3.960 -0.001 0.000 0.267 444 G HA3 0.051 4.010 3.960 -0.001 0.000 0.267 444 G C -1.131 173.790 174.900 0.034 0.000 1.362 444 G CA -0.318 44.824 45.100 0.070 0.000 1.048 444 G HN -0.008 nan 8.290 nan 0.000 0.547 445 D N -0.763 119.637 120.400 0.000 0.000 2.540 445 D HA 0.146 4.786 4.640 -0.001 0.000 0.251 445 D C 1.468 177.767 176.300 -0.002 0.000 1.159 445 D CA -0.545 53.449 54.000 -0.009 0.000 0.974 445 D CB 0.504 41.285 40.800 -0.032 0.000 0.996 445 D HN 0.407 nan 8.370 nan 0.000 0.512 446 R N 1.419 121.928 120.500 0.014 0.000 2.159 446 R HA -0.108 4.232 4.340 -0.001 0.000 0.237 446 R C 1.841 178.134 176.300 -0.010 0.000 1.131 446 R CA 1.676 57.780 56.100 0.007 0.000 0.982 446 R CB -0.099 30.181 30.300 -0.033 0.000 0.868 446 R HN 0.405 nan 8.270 nan 0.000 0.453 447 G N 0.371 109.164 108.800 -0.012 0.000 2.440 447 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.218 447 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.218 447 G C 1.030 175.930 174.900 0.001 0.000 1.154 447 G CA 0.794 45.889 45.100 -0.009 0.000 0.767 447 G HN 0.362 nan 8.290 nan 0.000 0.552 448 N N 0.456 119.156 118.700 0.001 0.000 2.214 448 N HA 0.309 5.049 4.740 -0.001 0.000 0.214 448 N C 0.917 176.431 175.510 0.008 0.000 1.132 448 N CA 0.574 53.630 53.050 0.010 0.000 0.856 448 N CB 0.750 39.243 38.487 0.010 0.000 1.020 448 N HN 0.408 nan 8.380 nan 0.000 0.509 449 A N 0.292 123.110 122.820 -0.003 0.000 2.519 449 A HA -0.168 4.152 4.320 -0.001 0.000 0.297 449 A C 0.022 177.546 177.584 -0.099 0.000 1.472 449 A CA 0.726 52.749 52.037 -0.023 0.000 0.739 449 A CB -1.886 17.125 19.000 0.018 0.000 1.096 449 A HN 0.213 nan 8.150 nan 0.000 0.414 450 S N -1.553 114.063 115.700 -0.141 0.000 2.685 450 S HA 0.843 5.313 4.470 -0.001 0.000 0.282 450 S C 0.713 175.178 174.600 -0.225 0.000 1.159 450 S CA 0.411 58.444 58.200 -0.279 0.000 0.833 450 S CB 1.824 64.889 63.200 -0.225 0.000 1.151 450 S HN 2.320 nan 8.310 nan 0.000 0.485 451 G N 0.723 109.353 108.800 -0.284 0.000 2.385 451 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.294 451 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.294 451 G C -0.134 174.710 174.900 -0.094 0.000 1.070 451 G CA 0.101 45.101 45.100 -0.167 0.000 1.172 451 G HN 0.525 nan 8.290 nan 0.000 0.516 452 L N -0.002 121.152 121.223 -0.115 0.000 2.857 452 L HA 0.551 4.891 4.340 -0.001 0.000 0.249 452 L C 1.442 178.370 176.870 0.097 0.000 1.172 452 L CA 0.616 55.452 54.840 -0.006 0.000 0.980 452 L CB 0.611 42.613 42.059 -0.096 0.000 1.299 452 L HN 0.607 nan 8.230 nan 0.000 0.535 453 G N -0.813 108.021 108.800 0.057 0.000 2.694 453 G HA2 0.777 4.737 3.960 -0.001 0.000 0.290 453 G HA3 0.777 4.737 3.960 -0.001 0.000 0.290 453 G C -1.554 173.342 174.900 -0.006 0.000 1.386 453 G CA -0.272 44.874 45.100 0.076 0.000 0.872 453 G HN -0.007 nan 8.290 nan 0.000 0.475 454 Q N -0.965 118.822 119.800 -0.021 0.000 2.435 454 Q HA 0.554 4.894 4.340 -0.001 0.000 0.282 454 Q C -1.626 174.338 176.000 -0.059 0.000 1.020 454 Q CA -0.696 55.075 55.803 -0.053 0.000 0.820 454 Q CB 3.380 32.055 28.738 -0.106 0.000 1.436 454 Q HN 0.600 nan 8.270 nan 0.000 0.395 455 I N 0.858 121.403 120.570 -0.042 0.000 2.533 455 I HA 0.541 4.711 4.170 -0.001 0.000 0.290 455 I C -1.804 174.285 176.117 -0.046 0.000 1.056 455 I CA -0.339 60.913 61.300 -0.080 0.000 1.057 455 I CB 1.235 39.127 38.000 -0.180 0.000 1.240 455 I HN 0.522 nan 8.210 nan 0.000 0.423 456 K N 5.885 126.164 120.400 -0.202 0.000 2.512 456 K HA 0.769 5.089 4.320 -0.001 0.000 0.263 456 K C -1.414 174.818 176.600 -0.613 0.000 0.966 456 K CA -0.998 55.041 56.287 -0.414 0.000 0.851 456 K CB 2.167 34.551 32.500 -0.194 0.000 1.395 456 K HN 0.530 nan 8.250 nan 0.000 0.440 457 A N 1.861 124.083 122.820 -0.996 0.000 2.249 457 A HA 0.429 4.749 4.320 -0.001 0.000 0.314 457 A C -1.562 175.872 177.584 -0.251 0.000 1.290 457 A CA -0.407 51.218 52.037 -0.686 0.000 0.893 457 A CB 0.074 18.445 19.000 -1.048 0.000 1.165 457 A HN 0.715 nan 8.150 nan 0.000 0.530 458 Y N 2.105 122.336 120.300 -0.115 0.000 2.409 458 Y HA 0.547 5.097 4.550 -0.001 0.000 0.339 458 Y C -0.689 175.301 175.900 0.150 0.000 1.033 458 Y CA -0.857 57.243 58.100 -0.000 0.000 1.094 458 Y CB 1.652 40.118 38.460 0.010 0.000 1.210 458 Y HN 0.586 nan 8.280 nan 0.000 0.456 459 D N 4.378 124.387 120.400 -0.651 0.000 2.441 459 D HA 0.321 4.961 4.640 -0.001 0.000 0.231 459 D C 0.494 176.269 176.300 -0.875 0.000 1.073 459 D CA 0.162 53.873 54.000 -0.480 0.000 0.850 459 D CB 1.731 42.372 40.800 -0.265 0.000 1.062 459 D HN 0.852 nan 8.370 nan 0.000 0.524 460 A N 4.836 127.392 122.820 -0.439 0.000 1.978 460 A HA -0.159 4.160 4.320 -0.001 0.000 0.220 460 A C 1.912 179.415 177.584 -0.135 0.000 1.170 460 A CA 0.975 52.881 52.037 -0.219 0.000 0.636 460 A CB -0.247 18.840 19.000 0.144 0.000 0.810 460 A HN 0.665 nan 8.150 nan 0.000 0.448 461 I N 0.228 120.730 120.570 -0.112 0.000 2.296 461 I HA -0.108 4.062 4.170 -0.001 0.000 0.242 461 I C 2.695 178.758 176.117 -0.090 0.000 1.087 461 I CA 1.909 63.165 61.300 -0.074 0.000 1.393 461 I CB -1.519 36.454 38.000 -0.046 0.000 1.093 461 I HN 0.480 nan 8.210 nan 0.000 0.421 462 S N 0.508 116.136 115.700 -0.119 0.000 2.496 462 S HA 0.102 4.571 4.470 -0.001 0.000 0.224 462 S C 1.764 176.299 174.600 -0.108 0.000 0.996 462 S CA 0.544 58.685 58.200 -0.098 0.000 0.927 462 S CB -0.271 62.876 63.200 -0.089 0.000 0.774 462 S HN 0.597 nan 8.310 nan 0.000 0.524 463 G N 1.070 109.754 108.800 -0.194 0.000 2.198 463 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.260 463 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.260 463 G C -0.304 174.571 174.900 -0.043 0.000 1.025 463 G CA 0.359 45.397 45.100 -0.104 0.000 0.769 463 G HN 0.637 nan 8.290 nan 0.000 0.507 464 E N -0.458 119.661 120.200 -0.136 0.000 2.214 464 E HA 0.569 4.918 4.350 -0.001 0.000 0.274 464 E C 0.312 176.888 176.600 -0.040 0.000 0.977 464 E CA -0.943 55.425 56.400 -0.055 0.000 0.827 464 E CB 0.762 30.427 29.700 -0.057 0.000 1.130 464 E HN 0.081 nan 8.360 nan 0.000 0.394 465 M N 2.862 122.468 119.600 0.010 0.000 2.111 465 M HA 0.155 4.635 4.480 -0.001 0.000 0.351 465 M C 0.508 176.787 176.300 -0.036 0.000 1.214 465 M CA -0.419 54.877 55.300 -0.005 0.000 1.120 465 M CB 0.729 33.337 32.600 0.013 0.000 1.443 465 M HN 0.335 nan 8.290 nan 0.000 0.429 466 K N 2.993 123.338 120.400 -0.091 0.000 2.044 466 K HA -0.083 4.236 4.320 -0.001 0.000 0.210 466 K C 0.050 176.732 176.600 0.136 0.000 1.049 466 K CA 1.642 57.921 56.287 -0.013 0.000 0.927 466 K CB 0.207 32.682 32.500 -0.042 0.000 0.713 466 K HN 0.763 nan 8.250 nan 0.000 0.443 467 W N -1.170 120.148 121.300 0.029 0.000 3.248 467 W HA 0.494 5.154 4.660 -0.001 0.000 0.311 467 W C -1.454 175.076 176.519 0.018 0.000 1.258 467 W CA -0.690 56.665 57.345 0.018 0.000 1.191 467 W CB 0.719 30.187 29.460 0.013 0.000 1.389 467 W HN -0.201 nan 8.180 nan 0.000 0.561 468 E N 1.614 122.025 120.200 0.353 0.000 2.317 468 E HA 0.581 4.931 4.350 -0.001 0.000 0.270 468 E C -1.371 175.379 176.600 0.250 0.000 0.885 468 E CA -1.125 55.405 56.400 0.216 0.000 0.760 468 E CB 3.248 32.988 29.700 0.068 0.000 1.227 468 E HN 0.127 nan 8.360 nan 0.000 0.434 469 K N 1.326 121.848 120.400 0.202 0.000 2.464 469 K HA 0.463 4.783 4.320 -0.001 0.000 0.253 469 K C -1.413 175.215 176.600 0.047 0.000 0.933 469 K CA -0.728 55.638 56.287 0.132 0.000 0.801 469 K CB 1.941 34.552 32.500 0.185 0.000 1.271 469 K HN 0.409 nan 8.250 nan 0.000 0.430 470 M N 2.137 121.738 119.600 0.002 0.000 2.264 470 M HA 0.365 4.845 4.480 -0.001 0.000 0.352 470 M C -0.784 175.507 176.300 -0.015 0.000 1.173 470 M CA 0.153 55.428 55.300 -0.042 0.000 1.075 470 M CB 1.085 33.639 32.600 -0.077 0.000 1.621 470 M HN 0.353 nan 8.290 nan 0.000 0.457 471 E N 2.565 122.759 120.200 -0.010 0.000 2.207 471 E HA 0.293 4.643 4.350 -0.001 0.000 0.270 471 E C 0.076 176.650 176.600 -0.044 0.000 0.927 471 E CA -0.325 56.091 56.400 0.026 0.000 0.799 471 E CB 1.719 31.489 29.700 0.115 0.000 1.172 471 E HN 0.760 nan 8.360 nan 0.000 0.404 472 R N 1.691 122.137 120.500 -0.090 0.000 2.073 472 R HA -0.044 4.296 4.340 -0.001 0.000 0.234 472 R C 0.045 176.056 176.300 -0.482 0.000 1.134 472 R CA 1.375 57.287 56.100 -0.313 0.000 0.952 472 R CB 0.170 30.239 30.300 -0.385 0.000 0.850 472 R HN 0.279 nan 8.270 nan 0.000 0.433 473 F N -0.598 119.366 119.950 0.024 0.000 2.575 473 F HA 0.325 4.852 4.527 -0.001 0.000 0.330 473 F C 0.322 176.238 175.800 0.194 0.000 1.056 473 F CA -1.121 56.957 58.000 0.130 0.000 0.964 473 F CB 1.756 40.862 39.000 0.176 0.000 1.258 473 F HN -0.189 nan 8.300 nan 0.000 0.484 474 S N 0.998 117.012 115.700 0.524 0.000 2.537 474 S HA 0.104 4.574 4.470 -0.001 0.000 0.286 474 S C -0.288 174.564 174.600 0.421 0.000 1.299 474 S CA -0.574 57.892 58.200 0.442 0.000 1.067 474 S CB 0.959 64.530 63.200 0.618 0.000 0.864 474 S HN 0.506 nan 8.310 nan 0.000 0.494 475 V N 6.536 126.626 119.914 0.293 0.000 2.352 475 V HA 0.128 4.248 4.120 -0.001 0.000 0.253 475 V C 0.470 176.740 176.094 0.293 0.000 1.083 475 V CA -0.161 62.306 62.300 0.277 0.000 0.993 475 V CB -0.441 31.443 31.823 0.101 0.000 1.111 475 V HN 1.075 nan 8.190 nan 0.000 0.490 476 W N 4.801 126.199 121.300 0.162 0.000 2.942 476 W HA 0.234 4.894 4.660 -0.000 0.000 0.263 476 W C 1.490 178.147 176.519 0.230 0.000 1.296 476 W CA 0.581 58.027 57.345 0.167 0.000 1.504 476 W CB 0.501 30.063 29.460 0.171 0.000 1.096 476 W HN 0.737 nan 8.180 nan 0.000 0.639 477 G N 0.602 109.679 108.800 0.461 0.000 3.042 477 G HA2 0.353 4.312 3.960 -0.001 0.000 0.212 477 G HA3 0.353 4.312 3.960 -0.001 0.000 0.212 477 G C 0.630 175.771 174.900 0.401 0.000 1.166 477 G CA 0.495 45.863 45.100 0.447 0.000 0.767 477 G HN 0.355 nan 8.290 nan 0.000 0.546 478 G N -0.775 108.205 108.800 0.300 0.000 2.660 478 G HA2 0.306 4.266 3.960 -0.001 0.000 0.247 478 G HA3 0.306 4.266 3.960 -0.001 0.000 0.247 478 G C -0.098 174.999 174.900 0.329 0.000 1.328 478 G CA 0.127 45.394 45.100 0.279 0.000 0.884 478 G HN 1.512 nan 8.290 nan 0.000 0.531 479 T N -3.007 111.744 114.554 0.329 0.000 2.787 479 T HA 0.794 5.144 4.350 -0.001 0.000 0.297 479 T C -0.384 174.552 174.700 0.393 0.000 1.221 479 T CA 0.201 62.529 62.100 0.380 0.000 1.006 479 T CB 2.185 71.241 68.868 0.313 0.000 1.328 479 T HN 2.009 nan 8.240 nan 0.000 0.509 480 M N 1.342 121.201 119.600 0.431 0.000 2.322 480 M HA 0.695 5.174 4.480 -0.001 0.000 0.286 480 M C -1.959 174.603 176.300 0.436 0.000 1.111 480 M CA -0.690 54.869 55.300 0.431 0.000 0.941 480 M CB 1.834 34.683 32.600 0.415 0.000 1.671 480 M HN 1.156 nan 8.290 nan 0.000 0.470 481 A N 2.435 125.486 122.820 0.384 0.000 2.356 481 A HA 0.960 5.280 4.320 -0.001 0.000 0.323 481 A C -0.518 177.171 177.584 0.174 0.000 1.119 481 A CA -0.391 51.847 52.037 0.334 0.000 0.790 481 A CB 1.590 20.803 19.000 0.355 0.000 1.273 481 A HN 0.848 nan 8.150 nan 0.000 0.452 482 T N -2.320 112.284 114.554 0.083 0.000 2.901 482 T HA 0.618 4.968 4.350 -0.001 0.000 0.293 482 T C 0.836 175.457 174.700 -0.133 0.000 1.084 482 T CA 0.071 62.065 62.100 -0.176 0.000 1.008 482 T CB 1.450 70.333 68.868 0.025 0.000 1.170 482 T HN 1.537 nan 8.240 nan 0.000 0.509 483 A N 0.511 123.187 122.820 -0.240 0.000 2.125 483 A HA 0.234 4.553 4.320 -0.001 0.000 0.219 483 A C 2.129 179.726 177.584 0.022 0.000 1.156 483 A CA 1.414 53.443 52.037 -0.013 0.000 0.671 483 A CB -1.332 17.663 19.000 -0.009 0.000 0.794 483 A HN 1.224 nan 8.150 nan 0.000 0.459 484 G N -1.538 107.267 108.800 0.007 0.000 2.956 484 G HA2 0.332 4.292 3.960 -0.001 0.000 0.207 484 G HA3 0.332 4.292 3.960 -0.001 0.000 0.207 484 G C 1.152 176.064 174.900 0.018 0.000 1.162 484 G CA 0.453 45.562 45.100 0.015 0.000 0.796 484 G HN 1.588 nan 8.290 nan 0.000 0.527 485 G N -0.794 108.030 108.800 0.041 0.000 2.160 485 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.251 485 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.251 485 G C 0.159 175.068 174.900 0.015 0.000 1.008 485 G CA 0.404 45.529 45.100 0.042 0.000 0.724 485 G HN 0.532 nan 8.290 nan 0.000 0.514 486 L N -0.220 121.006 121.223 0.006 0.000 2.334 486 L HA 0.818 5.158 4.340 -0.001 0.000 0.273 486 L C 0.407 177.262 176.870 -0.026 0.000 1.013 486 L CA -0.511 54.262 54.840 -0.111 0.000 0.816 486 L CB 2.393 44.279 42.059 -0.288 0.000 1.278 486 L HN 0.180 nan 8.230 nan 0.000 0.431 487 T N 1.451 115.965 114.554 -0.065 0.000 2.963 487 T HA 0.531 4.881 4.350 -0.001 0.000 0.328 487 T C -0.718 174.072 174.700 0.150 0.000 1.048 487 T CA -0.365 61.834 62.100 0.164 0.000 1.033 487 T CB -0.089 68.968 68.868 0.314 0.000 1.010 487 T HN 0.182 nan 8.240 nan 0.000 0.469 488 F N 4.897 125.014 119.950 0.278 0.000 2.371 488 F HA 0.692 5.219 4.527 -0.001 0.000 0.329 488 F C 0.186 176.223 175.800 0.395 0.000 1.107 488 F CA -0.252 57.901 58.000 0.256 0.000 1.137 488 F CB 0.862 39.959 39.000 0.161 0.000 1.214 488 F HN 0.718 nan 8.300 nan 0.000 0.536 489 Y N -0.658 119.868 120.300 0.377 0.000 2.774 489 Y HA 0.738 5.288 4.550 -0.001 0.000 0.346 489 Y C -1.751 174.309 175.900 0.266 0.000 1.222 489 Y CA -1.983 56.298 58.100 0.302 0.000 1.088 489 Y CB 0.485 39.104 38.460 0.266 0.000 1.354 489 Y HN 0.780 nan 8.280 nan 0.000 0.455 490 A N 0.943 123.997 122.820 0.389 0.000 2.430 490 A HA 0.891 5.211 4.320 -0.001 0.000 0.300 490 A C -0.549 177.255 177.584 0.367 0.000 1.124 490 A CA -0.361 51.818 52.037 0.237 0.000 0.766 490 A CB 1.356 20.497 19.000 0.235 0.000 1.328 490 A HN 1.372 nan 8.150 nan 0.000 0.424 491 T N -1.045 113.677 114.554 0.281 0.000 2.940 491 T HA 0.548 4.897 4.350 -0.001 0.000 0.288 491 T C 0.789 175.625 174.700 0.226 0.000 1.033 491 T CA -0.684 61.606 62.100 0.316 0.000 1.033 491 T CB 0.818 69.879 68.868 0.322 0.000 1.079 491 T HN 0.402 nan 8.240 nan 0.000 0.496 492 L N 0.794 122.132 121.223 0.191 0.000 2.362 492 L HA 0.017 4.357 4.340 -0.001 0.000 0.219 492 L C 1.871 178.693 176.870 -0.080 0.000 1.134 492 L CA 1.101 55.952 54.840 0.018 0.000 0.807 492 L CB -0.381 41.626 42.059 -0.087 0.000 0.927 492 L HN 0.808 nan 8.230 nan 0.000 0.447 493 D N -0.694 119.728 120.400 0.036 0.000 2.325 493 D HA 0.037 4.677 4.640 -0.001 0.000 0.225 493 D C 1.269 177.632 176.300 0.105 0.000 1.096 493 D CA 0.759 54.796 54.000 0.062 0.000 0.844 493 D CB 0.472 41.358 40.800 0.144 0.000 0.925 493 D HN 0.244 nan 8.370 nan 0.000 0.513 494 G N -0.297 108.515 108.800 0.020 0.000 2.138 494 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.193 494 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.193 494 G C -0.305 174.324 174.900 -0.452 0.000 0.998 494 G CA -0.362 44.601 45.100 -0.228 0.000 0.668 494 G HN 0.280 nan 8.290 nan 0.000 0.516 495 F N -0.484 119.441 119.950 -0.042 0.000 2.579 495 F HA 0.776 5.303 4.527 -0.001 0.000 0.324 495 F C 0.312 176.056 175.800 -0.094 0.000 1.058 495 F CA -1.408 56.531 58.000 -0.101 0.000 0.944 495 F CB 1.831 40.739 39.000 -0.154 0.000 1.245 495 F HN 0.063 nan 8.300 nan 0.000 0.477 496 I N 2.386 122.989 120.570 0.055 0.000 2.389 496 I HA 0.442 4.612 4.170 -0.001 0.000 0.288 496 I C -1.269 174.732 176.117 -0.192 0.000 0.999 496 I CA -0.371 60.912 61.300 -0.029 0.000 1.129 496 I CB 0.921 38.927 38.000 0.011 0.000 1.288 496 I HN 0.596 nan 8.210 nan 0.000 0.444 497 K N 5.984 126.199 120.400 -0.309 0.000 2.221 497 K HA 0.825 5.144 4.320 -0.001 0.000 0.243 497 K C -1.050 175.453 176.600 -0.161 0.000 0.968 497 K CA -0.889 55.186 56.287 -0.353 0.000 0.846 497 K CB 2.092 34.241 32.500 -0.585 0.000 1.141 497 K HN 0.621 nan 8.250 nan 0.000 0.434 498 A N 2.482 125.264 122.820 -0.064 0.000 2.332 498 A HA 0.494 4.814 4.320 -0.001 0.000 0.300 498 A C -0.811 176.681 177.584 -0.152 0.000 1.153 498 A CA -0.745 51.153 52.037 -0.231 0.000 0.764 498 A CB 0.666 19.553 19.000 -0.188 0.000 1.174 498 A HN 0.699 nan 8.150 nan 0.000 0.467 499 R N 1.199 121.625 120.500 -0.124 0.000 2.787 499 R HA 0.371 4.711 4.340 -0.001 0.000 0.271 499 R C -0.950 175.261 176.300 -0.148 0.000 0.993 499 R CA -0.903 55.133 56.100 -0.107 0.000 0.993 499 R CB 1.559 31.833 30.300 -0.043 0.000 1.155 499 R HN 0.783 nan 8.270 nan 0.000 0.486 500 D N 0.440 120.710 120.400 -0.216 0.000 2.343 500 D HA 0.016 4.655 4.640 -0.001 0.000 0.255 500 D C 0.154 176.350 176.300 -0.174 0.000 1.187 500 D CA 0.359 54.250 54.000 -0.183 0.000 0.875 500 D CB 1.252 41.929 40.800 -0.206 0.000 1.136 500 D HN 0.380 nan 8.370 nan 0.000 0.469 501 S N 2.984 118.701 115.700 0.027 0.000 2.419 501 S HA -0.127 4.343 4.470 -0.001 0.000 0.233 501 S C 1.073 175.890 174.600 0.362 0.000 1.016 501 S CA 0.708 59.065 58.200 0.262 0.000 0.974 501 S CB 0.180 63.507 63.200 0.213 0.000 0.786 501 S HN 0.583 nan 8.310 nan 0.000 0.492 502 D N 0.635 121.110 120.400 0.126 0.000 2.240 502 D HA 0.000 4.640 4.640 -0.001 0.000 0.206 502 D C 2.099 178.419 176.300 0.034 0.000 0.963 502 D CA 1.525 55.606 54.000 0.135 0.000 0.863 502 D CB -0.190 40.642 40.800 0.053 0.000 0.973 502 D HN 0.602 nan 8.370 nan 0.000 0.501 503 T N -3.862 110.537 114.554 -0.259 0.000 2.978 503 T HA 0.349 4.699 4.350 -0.001 0.000 0.248 503 T C 1.639 175.758 174.700 -0.968 0.000 1.018 503 T CA 0.697 62.556 62.100 -0.402 0.000 1.026 503 T CB 0.949 69.672 68.868 -0.241 0.000 1.032 503 T HN 0.143 nan 8.240 nan 0.000 0.485 504 G N 1.936 109.855 108.800 -1.468 0.000 2.149 504 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.235 504 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.235 504 G C -0.543 173.879 174.900 -0.797 0.000 1.018 504 G CA -0.014 43.889 45.100 -1.996 0.000 0.728 504 G HN 0.596 nan 8.290 nan 0.000 0.508 505 D N -0.381 119.719 120.400 -0.500 0.000 2.264 505 D HA 0.410 5.050 4.640 -0.001 0.000 0.249 505 D C 0.451 176.632 176.300 -0.198 0.000 1.070 505 D CA -0.439 53.398 54.000 -0.271 0.000 0.912 505 D CB 1.728 42.411 40.800 -0.194 0.000 1.193 505 D HN 0.143 nan 8.370 nan 0.000 0.427 506 L N 2.639 123.783 121.223 -0.131 0.000 2.295 506 L HA 0.050 4.389 4.340 -0.001 0.000 0.288 506 L C 0.341 177.174 176.870 -0.063 0.000 1.079 506 L CA 0.014 54.798 54.840 -0.093 0.000 0.830 506 L CB 0.421 42.425 42.059 -0.092 0.000 1.200 506 L HN 0.281 nan 8.230 nan 0.000 0.438 507 L N 5.224 126.427 121.223 -0.034 0.000 2.463 507 L HA 0.323 4.663 4.340 -0.001 0.000 0.219 507 L C -0.331 176.633 176.870 0.158 0.000 1.088 507 L CA 0.399 55.253 54.840 0.023 0.000 0.849 507 L CB -0.621 41.433 42.059 -0.008 0.000 1.012 507 L HN 0.751 nan 8.230 nan 0.000 0.468 508 W N 0.207 121.454 121.300 -0.089 0.000 3.057 508 W HA 0.462 5.121 4.660 -0.001 0.000 0.328 508 W C -1.622 174.876 176.519 -0.034 0.000 1.232 508 W CA -1.340 55.980 57.345 -0.043 0.000 1.187 508 W CB 0.773 30.215 29.460 -0.031 0.000 1.417 508 W HN -0.049 nan 8.180 nan 0.000 0.569 509 K N 2.314 121.935 120.400 -1.300 0.000 2.658 509 K HA 0.721 5.041 4.320 -0.001 0.000 0.293 509 K C -2.455 173.504 176.600 -1.069 0.000 1.026 509 K CA -0.838 54.721 56.287 -1.214 0.000 0.871 509 K CB 2.299 34.506 32.500 -0.488 0.000 1.524 509 K HN 0.545 nan 8.250 nan 0.000 0.400 510 F N 0.956 120.490 119.950 -0.695 0.000 2.608 510 F HA 0.472 4.999 4.527 -0.001 0.000 0.309 510 F C -1.468 174.271 175.800 -0.102 0.000 1.103 510 F CA -0.743 57.102 58.000 -0.259 0.000 0.954 510 F CB 2.346 41.312 39.000 -0.055 0.000 1.267 510 F HN 0.612 nan 8.300 nan 0.000 0.444 511 K N 6.073 125.876 120.400 -0.995 0.000 2.250 511 K HA 0.468 4.788 4.320 -0.001 0.000 0.285 511 K C -1.241 174.756 176.600 -1.005 0.000 1.097 511 K CA -0.028 55.599 56.287 -1.101 0.000 0.913 511 K CB -0.283 31.689 32.500 -0.880 0.000 1.179 511 K HN 0.692 nan 8.250 nan 0.000 0.462 512 L N 5.838 126.706 121.223 -0.591 0.000 2.479 512 L HA 0.284 4.623 4.340 -0.001 0.000 0.248 512 L C -1.250 175.326 176.870 -0.490 0.000 1.205 512 L CA -1.919 52.691 54.840 -0.383 0.000 0.817 512 L CB 0.331 42.263 42.059 -0.212 0.000 1.162 512 L HN 0.519 nan 8.230 nan 0.000 0.486 513 P HA -0.079 nan 4.420 nan 0.000 0.217 513 P C 0.015 177.158 177.300 -0.262 0.000 1.150 513 P CA 0.943 63.784 63.100 -0.431 0.000 0.832 513 P CB 0.316 31.715 31.700 -0.502 0.000 0.787 514 S N -2.649 112.932 115.700 -0.199 0.000 2.638 514 S HA 0.630 5.100 4.470 -0.001 0.000 0.274 514 S C -0.098 174.494 174.600 -0.013 0.000 1.157 514 S CA -0.606 57.562 58.200 -0.052 0.000 0.826 514 S CB 0.698 63.931 63.200 0.056 0.000 1.139 514 S HN 0.072 nan 8.310 nan 0.000 0.474 515 G N 0.565 109.358 108.800 -0.012 0.000 2.690 515 G HA2 0.439 4.398 3.960 -0.001 0.000 0.239 515 G HA3 0.439 4.398 3.960 -0.001 0.000 0.239 515 G C -0.714 174.246 174.900 0.100 0.000 1.233 515 G CA -0.082 45.028 45.100 0.017 0.000 0.847 515 G HN 0.763 nan 8.290 nan 0.000 0.588 516 V N 1.219 121.219 119.914 0.144 0.000 2.628 516 V HA 0.497 4.616 4.120 -0.001 0.000 0.306 516 V C 0.765 177.017 176.094 0.264 0.000 1.045 516 V CA -0.394 62.035 62.300 0.215 0.000 0.905 516 V CB 1.698 33.664 31.823 0.239 0.000 0.997 516 V HN 0.847 nan 8.190 nan 0.000 0.436 517 I N 0.115 120.875 120.570 0.316 0.000 4.050 517 I HA 0.633 4.802 4.170 -0.001 0.000 0.328 517 I C 0.423 176.827 176.117 0.478 0.000 1.439 517 I CA -0.182 61.381 61.300 0.439 0.000 1.099 517 I CB 0.595 38.851 38.000 0.427 0.000 1.469 517 I HN 0.589 nan 8.210 nan 0.000 0.572 518 G N 1.291 110.330 108.800 0.399 0.000 2.644 518 G HA2 0.571 4.530 3.960 -0.001 0.000 0.307 518 G HA3 0.571 4.530 3.960 -0.001 0.000 0.307 518 G C -1.008 174.118 174.900 0.377 0.000 1.250 518 G CA -0.502 44.838 45.100 0.400 0.000 0.996 518 G HN 0.427 nan 8.290 nan 0.000 0.489 519 H N -1.062 118.166 119.070 0.264 0.000 2.502 519 H HA 0.553 5.108 4.556 -0.001 0.000 0.338 519 H C -2.780 172.620 175.328 0.120 0.000 1.155 519 H CA -2.440 53.734 56.048 0.209 0.000 1.237 519 H CB 1.165 31.032 29.762 0.175 0.000 1.534 519 H HN 0.066 nan 8.280 nan 0.000 0.523 520 P HA 0.080 nan 4.420 nan 0.000 0.272 520 P C 0.065 177.277 177.300 -0.147 0.000 1.223 520 P CA -0.189 62.932 63.100 0.035 0.000 0.784 520 P CB 0.688 32.472 31.700 0.140 0.000 0.923 521 M N 1.284 120.671 119.600 -0.355 0.000 2.575 521 M HA 0.563 5.042 4.480 -0.001 0.000 0.284 521 M C -1.693 174.377 176.300 -0.383 0.000 1.253 521 M CA -0.325 54.484 55.300 -0.817 0.000 0.861 521 M CB 2.489 34.408 32.600 -1.135 0.000 1.733 521 M HN 0.294 nan 8.290 nan 0.000 0.462 522 T N 3.500 117.949 114.554 -0.174 0.000 2.952 522 T HA 0.763 5.113 4.350 -0.001 0.000 0.305 522 T C -1.903 173.003 174.700 0.343 0.000 1.064 522 T CA -0.313 61.830 62.100 0.071 0.000 1.008 522 T CB 1.140 70.027 68.868 0.032 0.000 1.078 522 T HN 0.691 nan 8.240 nan 0.000 0.459 523 Y N 0.941 121.333 120.300 0.153 0.000 2.625 523 Y HA 0.790 5.339 4.550 -0.001 0.000 0.338 523 Y C -1.032 174.999 175.900 0.218 0.000 1.123 523 Y CA -1.368 56.854 58.100 0.204 0.000 1.046 523 Y CB 1.459 40.029 38.460 0.183 0.000 1.299 523 Y HN 0.597 nan 8.280 nan 0.000 0.464 524 K N 1.832 122.397 120.400 0.276 0.000 2.323 524 K HA 0.343 4.663 4.320 -0.001 0.000 0.259 524 K C -1.891 174.918 176.600 0.349 0.000 0.947 524 K CA -0.635 55.772 56.287 0.200 0.000 0.819 524 K CB 0.867 33.438 32.500 0.117 0.000 1.109 524 K HN 0.941 nan 8.250 nan 0.000 0.429 525 H N 3.252 122.496 119.070 0.291 0.000 2.759 525 H HA 0.132 4.688 4.556 -0.001 0.000 0.354 525 H C -1.084 174.381 175.328 0.229 0.000 1.074 525 H CA -0.208 56.008 56.048 0.279 0.000 1.226 525 H CB 1.427 31.379 29.762 0.316 0.000 1.648 525 H HN 0.860 nan 8.280 nan 0.000 0.529 526 D N 3.160 123.369 120.400 -0.317 0.000 2.697 526 D HA -0.163 4.477 4.640 -0.001 0.000 0.235 526 D C 1.156 177.444 176.300 -0.021 0.000 1.167 526 D CA 1.746 55.654 54.000 -0.153 0.000 0.656 526 D CB -1.060 39.712 40.800 -0.048 0.000 1.025 526 D HN 1.041 nan 8.370 nan 0.000 0.419 527 G N 0.176 108.960 108.800 -0.025 0.000 2.244 527 G HA2 -0.404 3.556 3.960 -0.001 0.000 0.274 527 G HA3 -0.404 3.556 3.960 -0.001 0.000 0.274 527 G C 0.407 175.287 174.900 -0.033 0.000 1.002 527 G CA 0.818 45.907 45.100 -0.019 0.000 0.740 527 G HN 0.684 nan 8.290 nan 0.000 0.516 528 R N -0.165 120.322 120.500 -0.021 0.000 2.637 528 R HA 0.562 4.901 4.340 -0.001 0.000 0.291 528 R C -0.168 175.988 176.300 -0.241 0.000 0.963 528 R CA -0.761 55.235 56.100 -0.173 0.000 0.901 528 R CB 0.891 31.028 30.300 -0.271 0.000 1.160 528 R HN 0.258 nan 8.270 nan 0.000 0.457 529 Q N 3.629 123.231 119.800 -0.331 0.000 2.331 529 Q HA 0.207 4.546 4.340 -0.001 0.000 0.257 529 Q C -1.652 174.064 176.000 -0.474 0.000 0.957 529 Q CA -0.417 55.212 55.803 -0.290 0.000 0.923 529 Q CB 0.746 29.372 28.738 -0.186 0.000 1.212 529 Q HN 0.544 nan 8.270 nan 0.000 0.443 530 Y N 1.637 121.679 120.300 -0.430 0.000 2.457 530 Y HA 0.559 5.109 4.550 -0.001 0.000 0.333 530 Y C -0.341 175.279 175.900 -0.467 0.000 1.119 530 Y CA -0.927 56.885 58.100 -0.480 0.000 1.143 530 Y CB 1.983 40.029 38.460 -0.691 0.000 1.230 530 Y HN 0.307 nan 8.280 nan 0.000 0.469 531 V N 2.405 122.238 119.914 -0.135 0.000 2.443 531 V HA 0.765 4.885 4.120 -0.001 0.000 0.293 531 V C -0.472 175.608 176.094 -0.024 0.000 1.021 531 V CA -0.798 61.384 62.300 -0.196 0.000 0.848 531 V CB 1.096 32.651 31.823 -0.446 0.000 0.998 531 V HN 0.884 nan 8.190 nan 0.000 0.424 532 A N 5.622 128.428 122.820 -0.024 0.000 2.337 532 A HA 0.989 5.308 4.320 -0.001 0.000 0.331 532 A C -0.919 176.651 177.584 -0.024 0.000 1.137 532 A CA -0.662 51.376 52.037 0.002 0.000 0.807 532 A CB 1.524 20.521 19.000 -0.005 0.000 1.250 532 A HN 0.862 nan 8.150 nan 0.000 0.468 533 I N 0.740 121.339 120.570 0.049 0.000 2.841 533 I HA 0.410 4.580 4.170 -0.001 0.000 0.298 533 I C -1.021 175.163 176.117 0.112 0.000 1.304 533 I CA -0.847 60.495 61.300 0.071 0.000 1.019 533 I CB 1.923 40.008 38.000 0.141 0.000 1.282 533 I HN 0.755 nan 8.210 nan 0.000 0.432 534 M N 5.941 125.590 119.600 0.081 0.000 2.409 534 M HA 0.408 4.888 4.480 -0.001 0.000 0.329 534 M C -1.499 174.874 176.300 0.122 0.000 1.180 534 M CA -0.559 54.760 55.300 0.031 0.000 1.053 534 M CB 1.445 34.059 32.600 0.024 0.000 1.586 534 M HN 0.446 nan 8.290 nan 0.000 0.461 535 Y N -1.609 118.701 120.300 0.017 0.000 2.545 535 Y HA 0.857 5.406 4.550 -0.001 0.000 0.348 535 Y C -0.253 175.580 175.900 -0.111 0.000 1.002 535 Y CA -1.467 56.631 58.100 -0.004 0.000 1.039 535 Y CB 1.707 40.157 38.460 -0.017 0.000 1.271 535 Y HN 0.837 nan 8.280 nan 0.000 0.467 536 G N 1.371 110.225 108.800 0.090 0.000 2.246 536 G HA2 0.180 4.140 3.960 -0.001 0.000 0.196 536 G HA3 0.180 4.140 3.960 -0.001 0.000 0.196 536 G C -1.544 173.415 174.900 0.098 0.000 2.264 536 G CA -0.580 44.516 45.100 -0.008 0.000 1.089 536 G HN 0.956 nan 8.290 nan 0.000 0.599 537 V N 1.723 121.667 119.914 0.050 0.000 2.901 537 V HA 0.671 4.791 4.120 -0.001 0.000 0.307 537 V C 1.154 177.247 176.094 -0.001 0.000 1.084 537 V CA 2.508 64.812 62.300 0.008 0.000 1.184 537 V CB 1.279 33.064 31.823 -0.064 0.000 0.941 537 V HN 2.131 nan 8.190 nan 0.000 0.493 538 G N 3.044 111.833 108.800 -0.019 0.000 2.539 538 G HA2 0.610 4.570 3.960 -0.001 0.000 0.138 538 G HA3 0.610 4.570 3.960 -0.001 0.000 0.138 538 G C 0.249 175.149 174.900 0.000 0.000 1.148 538 G CA 0.224 45.325 45.100 0.002 0.000 1.057 538 G HN 2.070 nan 8.290 nan 0.000 0.511 539 G N -1.503 107.375 108.800 0.130 0.000 2.692 539 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.248 539 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.248 539 G C 0.887 175.886 174.900 0.165 0.000 1.340 539 G CA 0.873 46.095 45.100 0.202 0.000 0.896 539 G HN 1.596 nan 8.290 nan 0.000 0.570 540 W N 1.449 122.749 121.300 -0.001 0.000 2.338 540 W HA 0.013 4.673 4.660 -0.001 0.000 0.304 540 W C -0.051 176.274 176.519 -0.324 0.000 1.212 540 W CA 2.622 59.941 57.345 -0.042 0.000 1.264 540 W CB -1.632 27.937 29.460 0.181 0.000 1.142 540 W HN 0.453 nan 8.180 nan 0.000 0.512 541 P HA -0.097 nan 4.420 nan 0.000 0.218 541 P C 1.462 178.348 177.300 -0.689 0.000 1.148 541 P CA 2.721 65.097 63.100 -1.206 0.000 0.822 541 P CB -0.527 30.136 31.700 -1.728 0.000 0.784 542 G N -0.808 107.774 108.800 -0.363 0.000 3.088 542 G HA2 0.023 3.982 3.960 -0.001 0.000 0.217 542 G HA3 0.023 3.982 3.960 -0.001 0.000 0.217 542 G C 1.367 176.251 174.900 -0.027 0.000 1.159 542 G CA 0.257 45.243 45.100 -0.189 0.000 0.760 542 G HN 0.261 nan 8.290 nan 0.000 0.550 543 V N -0.434 119.551 119.914 0.119 0.000 2.324 543 V HA -0.104 4.016 4.120 -0.001 0.000 0.250 543 V C 2.587 178.839 176.094 0.263 0.000 1.060 543 V CA 2.304 64.794 62.300 0.316 0.000 1.042 543 V CB -1.177 30.882 31.823 0.394 0.000 0.650 543 V HN 0.191 nan 8.190 nan 0.000 0.450 544 G N 0.301 109.203 108.800 0.170 0.000 2.446 544 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.217 544 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.217 544 G C 1.591 176.542 174.900 0.085 0.000 1.168 544 G CA 1.158 46.343 45.100 0.142 0.000 0.771 544 G HN 0.478 nan 8.290 nan 0.000 0.551 545 L N 0.948 122.188 121.223 0.028 0.000 2.005 545 L HA -0.003 4.337 4.340 -0.001 0.000 0.207 545 L C 2.973 179.782 176.870 -0.101 0.000 1.072 545 L CA 1.583 56.405 54.840 -0.030 0.000 0.744 545 L CB -0.926 41.097 42.059 -0.061 0.000 0.895 545 L HN 0.169 nan 8.230 nan 0.000 0.433 546 V N -0.259 119.546 119.914 -0.181 0.000 2.343 546 V HA -0.280 3.840 4.120 -0.001 0.000 0.247 546 V C 1.969 177.734 176.094 -0.548 0.000 1.051 546 V CA 1.822 63.849 62.300 -0.456 0.000 1.036 546 V CB -0.642 30.795 31.823 -0.643 0.000 0.654 546 V HN 0.335 nan 8.190 nan 0.000 0.451 547 F N -0.921 119.018 119.950 -0.018 0.000 2.647 547 F HA 0.346 4.873 4.527 -0.001 0.000 0.300 547 F C 0.647 176.450 175.800 0.005 0.000 1.106 547 F CA -0.339 57.665 58.000 0.007 0.000 1.313 547 F CB 0.068 39.083 39.000 0.025 0.000 1.007 547 F HN 0.036 nan 8.300 nan 0.000 0.536 548 D N 2.380 122.840 120.400 0.099 0.000 2.904 548 D HA -0.195 4.445 4.640 -0.001 0.000 0.231 548 D C -0.583 175.772 176.300 0.091 0.000 1.185 548 D CA 0.667 54.711 54.000 0.072 0.000 0.783 548 D CB -0.687 40.142 40.800 0.049 0.000 0.961 548 D HN 0.226 nan 8.370 nan 0.000 0.409 549 L N -0.478 120.805 121.223 0.099 0.000 2.331 549 L HA 0.817 5.156 4.340 -0.001 0.000 0.268 549 L C 1.421 178.333 176.870 0.070 0.000 1.015 549 L CA -0.321 54.569 54.840 0.085 0.000 0.807 549 L CB 1.587 43.706 42.059 0.100 0.000 1.293 549 L HN 0.130 nan 8.230 nan 0.000 0.451 550 A N -0.447 122.408 122.820 0.058 0.000 2.150 550 A HA 0.098 4.418 4.320 -0.001 0.000 0.191 550 A C 0.198 177.813 177.584 0.053 0.000 1.591 550 A CA -0.069 52.000 52.037 0.054 0.000 1.142 550 A CB 0.045 19.069 19.000 0.041 0.000 1.326 550 A HN 0.733 nan 8.150 nan 0.000 0.470 551 D N 1.710 122.137 120.400 0.046 0.000 2.382 551 D HA 0.213 4.853 4.640 -0.001 0.000 0.259 551 D C -0.967 175.369 176.300 0.061 0.000 1.224 551 D CA -1.384 52.641 54.000 0.042 0.000 0.894 551 D CB 1.207 42.022 40.800 0.024 0.000 1.127 551 D HN 0.130 nan 8.370 nan 0.000 0.487 552 P HA -0.196 nan 4.420 nan 0.000 0.219 552 P C 0.938 178.294 177.300 0.094 0.000 1.146 552 P CA 1.239 64.391 63.100 0.087 0.000 0.808 552 P CB -0.050 31.702 31.700 0.085 0.000 0.779 553 T N -3.791 110.809 114.554 0.076 0.000 3.081 553 T HA 0.376 4.726 4.350 -0.001 0.000 0.255 553 T C 1.121 175.865 174.700 0.074 0.000 1.113 553 T CA 0.066 62.213 62.100 0.077 0.000 1.082 553 T CB -0.509 68.392 68.868 0.055 0.000 0.939 553 T HN 0.095 nan 8.240 nan 0.000 0.506 554 A N 0.824 123.682 122.820 0.063 0.000 2.429 554 A HA 0.538 4.857 4.320 -0.001 0.000 0.242 554 A C 1.613 179.261 177.584 0.107 0.000 1.088 554 A CA 0.133 52.199 52.037 0.048 0.000 0.784 554 A CB -1.089 17.932 19.000 0.034 0.000 1.038 554 A HN 1.517 nan 8.150 nan 0.000 0.501 555 G N -0.766 108.084 108.800 0.084 0.000 2.246 555 G HA2 -0.070 3.890 3.960 -0.001 0.000 0.273 555 G HA3 -0.070 3.890 3.960 -0.001 0.000 0.273 555 G C 0.396 175.529 174.900 0.388 0.000 1.055 555 G CA 0.134 45.352 45.100 0.198 0.000 0.851 555 G HN 1.791 nan 8.290 nan 0.000 0.500 556 L N -3.057 118.295 121.223 0.216 0.000 4.040 556 L HA -0.241 4.099 4.340 -0.001 0.000 0.410 556 L C 1.921 179.053 176.870 0.436 0.000 1.187 556 L CA 1.101 56.125 54.840 0.306 0.000 0.956 556 L CB -1.468 40.868 42.059 0.461 0.000 2.022 556 L HN 2.153 nan 8.230 nan 0.000 0.897 557 G N -0.979 107.987 108.800 0.276 0.000 2.141 557 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.242 557 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.242 557 G C 0.750 175.749 174.900 0.164 0.000 0.982 557 G CA 0.934 46.156 45.100 0.203 0.000 0.662 557 G HN 0.782 nan 8.290 nan 0.000 0.527 558 S N -1.246 114.577 115.700 0.206 0.000 2.456 558 S HA 0.197 4.666 4.470 -0.001 0.000 0.224 558 S C 2.180 176.911 174.600 0.219 0.000 1.035 558 S CA 1.316 59.581 58.200 0.108 0.000 0.940 558 S CB 0.139 63.279 63.200 -0.100 0.000 0.799 558 S HN 0.684 nan 8.310 nan 0.000 0.508 559 V N 2.643 122.679 119.914 0.204 0.000 2.324 559 V HA -0.150 3.970 4.120 -0.001 0.000 0.250 559 V C 2.852 179.050 176.094 0.174 0.000 1.060 559 V CA 2.143 64.556 62.300 0.188 0.000 1.042 559 V CB -1.650 30.262 31.823 0.148 0.000 0.650 559 V HN 0.663 nan 8.190 nan 0.000 0.450 560 G N -0.567 108.317 108.800 0.140 0.000 2.453 560 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.215 560 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.215 560 G C 1.785 176.739 174.900 0.090 0.000 1.201 560 G CA 0.973 46.142 45.100 0.116 0.000 0.784 560 G HN 0.633 nan 8.290 nan 0.000 0.545 561 A N -0.163 122.682 122.820 0.041 0.000 2.032 561 A HA 0.086 4.406 4.320 -0.001 0.000 0.221 561 A C 1.492 178.875 177.584 -0.336 0.000 1.165 561 A CA 1.108 53.052 52.037 -0.156 0.000 0.645 561 A CB -0.404 18.439 19.000 -0.262 0.000 0.807 561 A HN 0.353 nan 8.150 nan 0.000 0.453 562 F N -0.549 119.463 119.950 0.103 0.000 2.855 562 F HA 0.199 4.726 4.527 -0.001 0.000 0.317 562 F C 1.601 177.490 175.800 0.148 0.000 1.169 562 F CA -0.142 57.949 58.000 0.150 0.000 1.299 562 F CB 0.424 39.457 39.000 0.056 0.000 0.962 562 F HN 0.291 nan 8.300 nan 0.000 0.506 563 K N -0.344 120.199 120.400 0.238 0.000 2.283 563 K HA -0.042 4.278 4.320 -0.001 0.000 0.202 563 K C 1.557 178.288 176.600 0.219 0.000 1.048 563 K CA 0.904 57.307 56.287 0.193 0.000 0.948 563 K CB -0.020 32.562 32.500 0.136 0.000 0.742 563 K HN 0.130 nan 8.250 nan 0.000 0.458 564 R N 0.742 121.426 120.500 0.305 0.000 2.240 564 R HA 0.040 4.380 4.340 -0.001 0.000 0.203 564 R C 2.156 178.788 176.300 0.553 0.000 1.011 564 R CA 0.276 56.616 56.100 0.399 0.000 1.007 564 R CB -0.676 29.891 30.300 0.445 0.000 0.911 564 R HN 0.212 nan 8.270 nan 0.000 0.468 565 L N 2.650 124.150 121.223 0.461 0.000 2.051 565 L HA -0.251 4.089 4.340 -0.001 0.000 0.214 565 L C 2.360 179.325 176.870 0.158 0.000 1.076 565 L CA 1.991 56.911 54.840 0.133 0.000 0.758 565 L CB -0.680 41.331 42.059 -0.081 0.000 0.890 565 L HN 0.290 nan 8.230 nan 0.000 0.433 566 Q N -1.126 118.744 119.800 0.116 0.000 2.439 566 Q HA -0.221 4.118 4.340 -0.001 0.000 0.211 566 Q C 1.402 177.401 176.000 -0.002 0.000 0.978 566 Q CA 1.768 57.596 55.803 0.040 0.000 0.897 566 Q CB -0.509 28.245 28.738 0.027 0.000 0.956 566 Q HN 0.662 nan 8.270 nan 0.000 0.483 567 E N -0.527 119.659 120.200 -0.023 0.000 2.502 567 E HA 0.015 4.365 4.350 -0.001 0.000 0.194 567 E C 0.242 176.509 176.600 -0.556 0.000 1.062 567 E CA 0.331 56.552 56.400 -0.298 0.000 0.867 567 E CB 0.221 29.666 29.700 -0.424 0.000 0.888 567 E HN 0.466 nan 8.360 nan 0.000 0.510 568 F N -0.973 118.996 119.950 0.032 0.000 2.789 568 F HA 0.225 4.752 4.527 -0.000 0.000 0.320 568 F C 0.781 176.550 175.800 -0.052 0.000 1.079 568 F CA -0.083 57.933 58.000 0.026 0.000 1.205 568 F CB 1.491 40.551 39.000 0.100 0.000 1.046 568 F HN -0.228 nan 8.300 nan 0.000 0.586 569 T N -0.571 114.025 114.554 0.071 0.000 2.802 569 T HA 0.446 4.795 4.350 -0.001 0.000 0.311 569 T C -1.595 173.079 174.700 -0.044 0.000 1.405 569 T CA -0.495 61.595 62.100 -0.016 0.000 1.016 569 T CB 1.625 70.469 68.868 -0.039 0.000 1.352 569 T HN -0.196 nan 8.240 nan 0.000 0.498 570 Q N 1.323 121.087 119.800 -0.060 0.000 2.572 570 Q HA 0.542 4.882 4.340 -0.001 0.000 0.284 570 Q C -0.124 175.834 176.000 -0.070 0.000 1.091 570 Q CA -0.946 54.817 55.803 -0.066 0.000 0.840 570 Q CB 1.739 30.439 28.738 -0.064 0.000 1.433 570 Q HN 0.728 nan 8.270 nan 0.000 0.471 571 M N 0.108 119.657 119.600 -0.085 0.000 2.232 571 M HA 0.423 4.902 4.480 -0.001 0.000 0.321 571 M C 0.572 176.843 176.300 -0.048 0.000 1.101 571 M CA 0.537 55.786 55.300 -0.086 0.000 1.181 571 M CB 0.345 32.863 32.600 -0.136 0.000 1.432 571 M HN 0.789 nan 8.290 nan 0.000 0.457 572 G N -0.381 108.399 108.800 -0.033 0.000 2.619 572 G HA2 0.726 4.685 3.960 -0.001 0.000 0.305 572 G HA3 0.726 4.685 3.960 -0.001 0.000 0.305 572 G C -1.480 173.308 174.900 -0.186 0.000 1.330 572 G CA -0.227 44.861 45.100 -0.020 0.000 0.789 572 G HN 0.967 nan 8.290 nan 0.000 0.487 573 G N -1.641 106.945 108.800 -0.358 0.000 2.289 573 G HA2 0.784 4.743 3.960 -0.001 0.000 0.315 573 G HA3 0.784 4.743 3.960 -0.001 0.000 0.315 573 G C -0.319 174.053 174.900 -0.879 0.000 1.587 573 G CA 0.806 45.295 45.100 -1.017 0.000 0.949 573 G HN 2.224 nan 8.290 nan 0.000 0.626 574 G N -1.429 106.644 108.800 -1.211 0.000 2.320 574 G HA2 0.611 4.571 3.960 -0.001 0.000 0.297 574 G HA3 0.611 4.571 3.960 -0.001 0.000 0.297 574 G C -1.702 172.715 174.900 -0.806 0.000 1.344 574 G CA 0.295 44.901 45.100 -0.824 0.000 0.851 574 G HN 1.943 nan 8.290 nan 0.000 0.567 575 V N 0.021 119.807 119.914 -0.213 0.000 2.540 575 V HA 0.865 4.985 4.120 -0.001 0.000 0.302 575 V C -0.537 175.593 176.094 0.060 0.000 1.035 575 V CA -0.785 61.481 62.300 -0.057 0.000 0.873 575 V CB 1.543 33.347 31.823 -0.031 0.000 0.992 575 V HN 1.141 nan 8.190 nan 0.000 0.428 576 M N 7.188 126.866 119.600 0.130 0.000 2.268 576 M HA 0.702 5.182 4.480 -0.001 0.000 0.344 576 M C -1.407 174.750 176.300 -0.238 0.000 1.106 576 M CA -0.053 55.230 55.300 -0.027 0.000 1.010 576 M CB 1.606 34.300 32.600 0.155 0.000 1.649 576 M HN 0.467 nan 8.290 nan 0.000 0.443 577 V N 5.867 125.395 119.914 -0.643 0.000 2.513 577 V HA 0.617 4.737 4.120 -0.001 0.000 0.299 577 V C -0.913 174.847 176.094 -0.557 0.000 1.035 577 V CA -0.467 61.468 62.300 -0.608 0.000 0.889 577 V CB 1.634 32.704 31.823 -1.254 0.000 0.988 577 V HN 0.769 nan 8.190 nan 0.000 0.440 578 F N 1.778 121.612 119.950 -0.194 0.000 2.598 578 F HA 0.858 5.384 4.527 -0.001 0.000 0.327 578 F C 0.412 176.123 175.800 -0.149 0.000 1.057 578 F CA -0.380 57.524 58.000 -0.161 0.000 0.957 578 F CB 2.333 41.227 39.000 -0.176 0.000 1.278 578 F HN 0.594 nan 8.300 nan 0.000 0.484 579 S N 0.550 116.243 115.700 -0.011 0.000 2.611 579 S HA 0.591 5.061 4.470 -0.001 0.000 0.268 579 S C -1.930 172.569 174.600 -0.168 0.000 1.156 579 S CA -0.962 57.113 58.200 -0.209 0.000 0.817 579 S CB 0.976 63.950 63.200 -0.375 0.000 1.122 579 S HN 0.387 nan 8.310 nan 0.000 0.466 580 L N 2.867 123.967 121.223 -0.204 0.000 2.500 580 L HA 0.336 4.676 4.340 -0.001 0.000 0.272 580 L C 0.240 177.047 176.870 -0.106 0.000 1.149 580 L CA 1.373 56.119 54.840 -0.157 0.000 0.897 580 L CB -0.983 40.986 42.059 -0.151 0.000 1.178 580 L HN 0.842 nan 8.230 nan 0.000 0.473 581 D N 2.766 123.121 120.400 -0.074 0.000 2.981 581 D HA -0.190 4.450 4.640 -0.001 0.000 0.223 581 D C 1.124 177.410 176.300 -0.023 0.000 1.151 581 D CA 1.034 55.013 54.000 -0.036 0.000 0.827 581 D CB -1.296 39.486 40.800 -0.031 0.000 1.101 581 D HN 1.034 nan 8.370 nan 0.000 0.426 582 G N -0.058 108.722 108.800 -0.034 0.000 2.296 582 G HA2 -0.370 3.590 3.960 -0.001 0.000 0.282 582 G HA3 -0.370 3.590 3.960 -0.001 0.000 0.282 582 G C 0.115 175.036 174.900 0.034 0.000 1.014 582 G CA 0.680 45.771 45.100 -0.014 0.000 0.812 582 G HN 0.415 nan 8.290 nan 0.000 0.508 583 E N 0.560 120.762 120.200 0.004 0.000 2.415 583 E HA 0.426 4.776 4.350 -0.001 0.000 0.263 583 E C 0.730 177.412 176.600 0.138 0.000 0.995 583 E CA 0.983 57.402 56.400 0.032 0.000 0.915 583 E CB 1.225 30.904 29.700 -0.034 0.000 0.951 583 E HN 0.850 nan 8.360 nan 0.000 0.449 584 S N 1.640 117.450 115.700 0.183 0.000 2.656 584 S HA 0.444 4.914 4.470 -0.001 0.000 0.273 584 S C -2.482 172.165 174.600 0.079 0.000 1.168 584 S CA -1.237 57.121 58.200 0.264 0.000 0.817 584 S CB 1.686 65.098 63.200 0.353 0.000 1.146 584 S HN 0.031 nan 8.310 nan 0.000 0.475 585 P HA 0.032 nan 4.420 nan 0.000 0.226 585 P C -0.046 177.077 177.300 -0.296 0.000 1.146 585 P CA 1.042 63.987 63.100 -0.257 0.000 0.773 585 P CB -0.217 31.199 31.700 -0.474 0.000 0.772 586 Y N -1.883 118.425 120.300 0.014 0.000 2.493 586 Y HA 0.190 4.740 4.550 -0.000 0.000 0.275 586 Y C 1.993 177.908 175.900 0.025 0.000 1.183 586 Y CA -0.082 58.023 58.100 0.008 0.000 1.258 586 Y CB -0.765 37.696 38.460 0.000 0.000 1.108 586 Y HN -0.103 nan 8.280 nan 0.000 0.521 587 S N -0.581 115.200 115.700 0.136 0.000 2.474 587 S HA -0.122 4.347 4.470 -0.001 0.000 0.235 587 S C 0.525 175.172 174.600 0.078 0.000 0.997 587 S CA 0.946 59.204 58.200 0.096 0.000 0.949 587 S CB -0.161 63.078 63.200 0.066 0.000 0.766 587 S HN 0.389 nan 8.310 nan 0.000 0.517 588 D N 0.877 121.326 120.400 0.082 0.000 2.473 588 D HA 0.302 4.941 4.640 -0.001 0.000 0.226 588 D C -1.924 174.435 176.300 0.099 0.000 1.089 588 D CA -2.585 51.454 54.000 0.066 0.000 0.883 588 D CB 1.204 42.029 40.800 0.043 0.000 1.029 588 D HN -0.105 nan 8.370 nan 0.000 0.517 589 P HA -0.210 nan 4.420 nan 0.000 0.220 589 P C 0.594 177.940 177.300 0.077 0.000 1.155 589 P CA 1.331 64.476 63.100 0.075 0.000 0.880 589 P CB 0.180 31.904 31.700 0.041 0.000 0.790 590 N N -1.113 117.624 118.700 0.062 0.000 2.205 590 N HA -0.073 4.667 4.740 -0.001 0.000 0.186 590 N C -0.057 175.500 175.510 0.077 0.000 1.015 590 N CA 0.439 53.521 53.050 0.053 0.000 0.862 590 N CB -1.038 37.468 38.487 0.032 0.000 0.986 590 N HN -0.029 nan 8.380 nan 0.000 0.429 591 V N 0.720 120.699 119.914 0.109 0.000 2.486 591 V HA 0.126 4.246 4.120 -0.001 0.000 0.290 591 V C 1.542 177.774 176.094 0.231 0.000 0.991 591 V CA 1.178 63.554 62.300 0.127 0.000 1.142 591 V CB -0.365 31.509 31.823 0.084 0.000 0.926 591 V HN 0.664 nan 8.190 nan 0.000 0.472 592 G N 3.505 112.395 108.800 0.150 0.000 2.279 592 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.223 592 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.223 592 G C 0.156 175.108 174.900 0.086 0.000 1.015 592 G CA -0.087 45.104 45.100 0.151 0.000 0.621 592 G HN 0.603 nan 8.290 nan 0.000 0.506 593 E N 0.163 120.405 120.200 0.069 0.000 2.508 593 E HA 0.071 4.420 4.350 -0.001 0.000 0.266 593 E C 0.215 176.873 176.600 0.096 0.000 1.010 593 E CA -0.231 56.209 56.400 0.066 0.000 0.955 593 E CB 0.308 30.035 29.700 0.045 0.000 0.946 593 E HN 0.506 nan 8.360 nan 0.000 0.454 594 Y N 0.722 121.017 120.300 -0.008 0.000 2.632 594 Y HA 0.166 4.716 4.550 -0.000 0.000 0.329 594 Y C -0.314 175.584 175.900 -0.002 0.000 1.174 594 Y CA -0.263 57.833 58.100 -0.006 0.000 1.469 594 Y CB 0.424 38.879 38.460 -0.010 0.000 1.242 594 Y HN 0.405 nan 8.280 nan 0.000 0.540 595 A N 8.238 130.714 122.820 -0.574 0.000 2.332 595 A HA 0.434 4.753 4.320 -0.001 0.000 0.300 595 A C -1.747 175.393 177.584 -0.739 0.000 1.153 595 A CA -1.757 49.950 52.037 -0.549 0.000 0.764 595 A CB 1.058 19.922 19.000 -0.227 0.000 1.174 595 A HN 0.715 nan 8.150 nan 0.000 0.467 596 P HA -0.323 nan 4.420 nan 0.000 0.229 596 P C 1.613 178.819 177.300 -0.158 0.000 1.152 596 P CA 2.452 65.309 63.100 -0.405 0.000 0.915 596 P CB 0.070 31.650 31.700 -0.200 0.000 0.784 597 G N 0.096 108.812 108.800 -0.140 0.000 3.955 597 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.508 597 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.508 597 G C 0.403 175.303 174.900 -0.000 0.000 0.858 597 G CA 1.619 46.685 45.100 -0.055 0.000 0.716 597 G HN 0.546 nan 8.290 nan 0.000 1.436 598 E N -0.746 119.464 120.200 0.017 0.000 2.428 598 E HA 0.608 4.958 4.350 -0.001 0.000 0.259 598 E C -2.899 173.738 176.600 0.062 0.000 0.930 598 E CA -1.882 54.541 56.400 0.039 0.000 0.823 598 E CB 0.347 30.062 29.700 0.024 0.000 1.403 598 E HN 0.214 nan 8.360 nan 0.000 0.415 599 P HA 0.000 nan 4.420 nan 0.000 0.256 599 P C -0.704 176.631 177.300 0.057 0.000 1.173 599 P CA 0.434 63.569 63.100 0.059 0.000 0.768 599 P CB 0.239 31.963 31.700 0.041 0.000 0.758 600 T N 0.000 114.599 114.554 0.076 0.000 3.816 600 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 600 T CA 0.000 62.140 62.100 0.067 0.000 1.349 600 T CB 0.000 68.922 68.868 0.090 0.000 0.612 600 T HN 0.000 nan 8.240 nan 0.000 0.658