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 3kwj_1_B DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP 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 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.644 174.600 0.073 0.000 1.055 39 S CA 0.000 58.235 58.200 0.058 0.000 1.107 39 S CB 0.000 63.223 63.200 0.039 0.000 0.593 40 R N 2.853 123.409 120.500 0.093 0.000 2.637 40 R HA 0.433 4.773 4.340 -0.000 0.000 0.269 40 R C 0.182 176.542 176.300 0.100 0.000 1.089 40 R CA -0.173 55.981 56.100 0.091 0.000 1.177 40 R CB 0.465 30.819 30.300 0.091 0.000 1.091 40 R HN 0.529 nan 8.270 nan 0.000 0.540 41 K N -0.034 120.429 120.400 0.104 0.000 2.319 41 K HA 0.074 4.394 4.320 -0.000 0.000 0.265 41 K C -0.209 176.476 176.600 0.141 0.000 1.000 41 K CA -0.249 56.109 56.287 0.119 0.000 0.943 41 K CB 1.021 33.599 32.500 0.130 0.000 0.950 41 K HN 0.319 nan 8.250 nan 0.000 0.485 42 T N 1.111 115.755 114.554 0.149 0.000 2.902 42 T HA 0.115 4.465 4.350 -0.000 0.000 0.280 42 T C -1.378 173.469 174.700 0.245 0.000 0.992 42 T CA -0.614 61.591 62.100 0.174 0.000 1.015 42 T CB 0.244 69.200 68.868 0.147 0.000 1.044 42 T HN 0.489 nan 8.240 nan 0.000 0.520 43 Y N 3.374 123.773 120.300 0.166 0.000 2.504 43 Y HA 0.357 4.907 4.550 0.000 0.000 0.351 43 Y C 0.850 176.927 175.900 0.296 0.000 0.988 43 Y CA -0.587 57.656 58.100 0.237 0.000 1.239 43 Y CB -0.132 38.443 38.460 0.191 0.000 1.128 43 Y HN 0.662 nan 8.280 nan 0.000 0.525 44 T N 2.469 116.995 114.554 -0.047 0.000 2.902 44 T HA 0.147 4.497 4.350 -0.000 0.000 0.280 44 T C 1.025 175.656 174.700 -0.116 0.000 0.992 44 T CA -0.843 61.307 62.100 0.084 0.000 1.015 44 T CB 1.408 70.290 68.868 0.024 0.000 1.044 44 T HN 0.693 nan 8.240 nan 0.000 0.520 45 L N 1.513 122.537 121.223 -0.331 0.000 2.129 45 L HA -0.066 4.274 4.340 -0.000 0.000 0.212 45 L C 2.596 179.319 176.870 -0.246 0.000 1.087 45 L CA 2.138 56.636 54.840 -0.570 0.000 0.757 45 L CB -1.318 40.247 42.059 -0.824 0.000 0.896 45 L HN 0.973 nan 8.230 nan 0.000 0.434 46 T N -0.818 113.616 114.554 -0.200 0.000 2.821 46 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 46 T C 1.491 176.073 174.700 -0.197 0.000 1.046 46 T CA 1.392 63.392 62.100 -0.166 0.000 1.139 46 T CB -0.265 68.531 68.868 -0.120 0.000 0.871 46 T HN 0.435 nan 8.240 nan 0.000 0.454 47 D N 0.045 120.282 120.400 -0.271 0.000 2.097 47 D HA -0.095 4.545 4.640 -0.000 0.000 0.195 47 D C 1.780 177.950 176.300 -0.217 0.000 0.989 47 D CA 1.083 54.865 54.000 -0.363 0.000 0.827 47 D CB -0.375 40.042 40.800 -0.639 0.000 0.966 47 D HN 0.381 nan 8.370 nan 0.000 0.456 48 Y N 1.442 121.549 120.300 -0.322 0.000 2.097 48 Y HA -0.202 4.348 4.550 -0.000 0.000 0.282 48 Y C 2.104 177.987 175.900 -0.028 0.000 1.152 48 Y CA 1.071 59.167 58.100 -0.006 0.000 1.136 48 Y CB -0.680 37.825 38.460 0.075 0.000 0.975 48 Y HN -0.129 nan 8.280 nan 0.000 0.498 49 L N 0.595 121.609 121.223 -0.349 0.000 2.046 49 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 49 L C 2.113 178.827 176.870 -0.261 0.000 1.077 49 L CA 1.867 56.442 54.840 -0.442 0.000 0.747 49 L CB -0.929 40.951 42.059 -0.297 0.000 0.896 49 L HN 0.166 nan 8.230 nan 0.000 0.432 50 K N -0.813 119.476 120.400 -0.185 0.000 2.387 50 K HA 0.102 4.422 4.320 -0.000 0.000 0.198 50 K C 0.169 176.705 176.600 -0.107 0.000 1.022 50 K CA -0.017 56.193 56.287 -0.128 0.000 1.128 50 K CB -0.045 32.386 32.500 -0.115 0.000 0.853 50 K HN 0.277 nan 8.250 nan 0.000 0.523 51 N N 0.678 119.318 118.700 -0.101 0.000 2.708 51 N HA -0.204 4.536 4.740 -0.000 0.000 0.255 51 N C -0.052 175.430 175.510 -0.047 0.000 1.046 51 N CA 0.256 53.289 53.050 -0.027 0.000 0.715 51 N CB -0.456 38.020 38.487 -0.019 0.000 0.895 51 N HN 0.118 nan 8.380 nan 0.000 0.545 52 T N 0.117 114.583 114.554 -0.147 0.000 2.857 52 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 52 T C -0.045 174.453 174.700 -0.336 0.000 1.048 52 T CA 1.241 63.136 62.100 -0.341 0.000 1.139 52 T CB -0.066 68.435 68.868 -0.612 0.000 0.874 52 T HN 0.367 nan 8.240 nan 0.000 0.455 53 Y N 2.940 123.337 120.300 0.163 0.000 2.491 53 Y HA 0.403 4.953 4.550 0.000 0.000 0.334 53 Y C 0.436 176.440 175.900 0.173 0.000 0.969 53 Y CA -1.645 56.564 58.100 0.182 0.000 1.241 53 Y CB 0.242 38.857 38.460 0.259 0.000 1.105 53 Y HN 0.063 nan 8.280 nan 0.000 0.503 54 R N 2.796 123.446 120.500 0.251 0.000 2.349 54 R HA 0.597 4.937 4.340 -0.000 0.000 0.299 54 R C -1.136 175.279 176.300 0.193 0.000 1.027 54 R CA -0.775 55.438 56.100 0.189 0.000 0.958 54 R CB 1.001 31.372 30.300 0.119 0.000 1.047 54 R HN 0.569 nan 8.270 nan 0.000 0.468 55 L N 2.879 124.218 121.223 0.194 0.000 2.410 55 L HA 0.219 4.559 4.340 -0.000 0.000 0.273 55 L C 0.404 177.363 176.870 0.149 0.000 1.152 55 L CA -0.226 54.728 54.840 0.190 0.000 0.855 55 L CB 0.430 42.620 42.059 0.218 0.000 1.129 55 L HN 0.527 nan 8.230 nan 0.000 0.463 56 K N 2.897 123.380 120.400 0.139 0.000 2.118 56 K HA 0.670 4.990 4.320 -0.000 0.000 0.264 56 K C -0.713 175.942 176.600 0.092 0.000 1.000 56 K CA -0.155 56.191 56.287 0.099 0.000 0.929 56 K CB 0.925 33.474 32.500 0.083 0.000 1.021 56 K HN 0.375 nan 8.250 nan 0.000 0.463 57 L N 1.528 122.737 121.223 -0.024 0.000 2.257 57 L HA 0.508 4.848 4.340 -0.000 0.000 0.257 57 L C -1.154 175.482 176.870 -0.389 0.000 1.033 57 L CA -1.153 53.562 54.840 -0.208 0.000 0.835 57 L CB 1.328 43.361 42.059 -0.043 0.000 1.398 57 L HN 0.565 nan 8.230 nan 0.000 0.429 58 Y N 0.404 120.190 120.300 -0.857 0.000 2.563 58 Y HA 0.326 4.876 4.550 -0.000 0.000 0.351 58 Y C -0.622 175.051 175.900 -0.379 0.000 1.087 58 Y CA -0.534 57.200 58.100 -0.610 0.000 1.272 58 Y CB 1.291 39.254 38.460 -0.828 0.000 1.095 58 Y HN 0.424 nan 8.280 nan 0.000 0.620 59 S N 6.309 121.916 115.700 -0.155 0.000 2.448 59 S HA 0.501 4.971 4.470 -0.000 0.000 0.279 59 S C -0.329 174.238 174.600 -0.056 0.000 1.195 59 S CA -0.515 57.654 58.200 -0.051 0.000 1.051 59 S CB -0.029 63.171 63.200 0.001 0.000 0.948 59 S HN 0.605 nan 8.310 nan 0.000 0.493 60 L N 1.804 122.953 121.223 -0.124 0.000 2.279 60 L HA 0.764 5.104 4.340 -0.000 0.000 0.262 60 L C -0.742 176.060 176.870 -0.115 0.000 1.019 60 L CA -1.085 53.648 54.840 -0.178 0.000 0.823 60 L CB 1.529 43.197 42.059 -0.651 0.000 1.358 60 L HN 0.443 nan 8.230 nan 0.000 0.432 61 R N 0.812 121.289 120.500 -0.038 0.000 2.473 61 R HA 0.377 4.717 4.340 -0.000 0.000 0.303 61 R C -1.560 174.799 176.300 0.100 0.000 1.002 61 R CA -0.372 55.764 56.100 0.061 0.000 0.884 61 R CB 1.547 31.938 30.300 0.151 0.000 1.173 61 R HN 0.631 nan 8.270 nan 0.000 0.464 62 W N 3.544 124.962 121.300 0.196 0.000 2.223 62 W HA 0.031 4.691 4.660 -0.000 0.000 0.334 62 W C 1.028 177.657 176.519 0.183 0.000 1.334 62 W CA -0.123 57.357 57.345 0.225 0.000 1.246 62 W CB 0.337 29.924 29.460 0.212 0.000 1.184 62 W HN 0.540 nan 8.180 nan 0.000 0.563 63 I N 1.854 122.689 120.570 0.440 0.000 4.323 63 I HA 0.013 4.183 4.170 -0.000 0.000 0.328 63 I C 0.813 177.075 176.117 0.241 0.000 1.310 63 I CA 0.617 62.065 61.300 0.247 0.000 1.186 63 I CB -0.002 38.065 38.000 0.111 0.000 1.130 63 I HN 0.388 nan 8.210 nan 0.000 0.411 64 S N -1.304 114.594 115.700 0.330 0.000 3.070 64 S HA 0.226 4.696 4.470 -0.000 0.000 0.320 64 S C 0.038 174.836 174.600 0.329 0.000 1.215 64 S CA 0.027 58.409 58.200 0.303 0.000 0.956 64 S CB 0.405 63.809 63.200 0.339 0.000 1.337 64 S HN 0.108 nan 8.310 nan 0.000 0.639 65 D N 0.002 120.596 120.400 0.324 0.000 2.349 65 D HA 0.018 4.658 4.640 -0.000 0.000 0.215 65 D C 0.985 177.552 176.300 0.446 0.000 1.016 65 D CA 1.332 55.480 54.000 0.247 0.000 0.870 65 D CB -0.712 40.167 40.800 0.131 0.000 0.917 65 D HN 0.967 nan 8.370 nan 0.000 0.524 66 H N -2.757 116.520 119.070 0.345 0.000 3.650 66 H HA 0.443 4.999 4.556 -0.000 0.000 0.260 66 H C -0.294 175.241 175.328 0.345 0.000 1.194 66 H CA -0.620 55.664 56.048 0.393 0.000 1.135 66 H CB 0.484 30.443 29.762 0.328 0.000 1.612 66 H HN -0.095 nan 8.280 nan 0.000 0.703 67 E N 1.273 121.644 120.200 0.285 0.000 2.317 67 E HA 0.299 4.649 4.350 -0.000 0.000 0.270 67 E C -1.658 175.117 176.600 0.293 0.000 0.885 67 E CA -1.365 55.088 56.400 0.089 0.000 0.760 67 E CB 2.739 32.385 29.700 -0.091 0.000 1.227 67 E HN 0.366 nan 8.360 nan 0.000 0.434 68 Y N -0.356 119.964 120.300 0.033 0.000 2.605 68 Y HA 0.649 5.199 4.550 -0.000 0.000 0.343 68 Y C -1.376 174.525 175.900 0.002 0.000 1.036 68 Y CA -1.338 56.702 58.100 -0.100 0.000 1.065 68 Y CB 0.905 38.994 38.460 -0.618 0.000 1.288 68 Y HN 0.328 nan 8.280 nan 0.000 0.481 69 L N 2.852 124.218 121.223 0.239 0.000 2.325 69 L HA 0.497 4.837 4.340 -0.000 0.000 0.279 69 L C -1.289 175.797 176.870 0.360 0.000 1.054 69 L CA -0.918 54.042 54.840 0.199 0.000 0.804 69 L CB 1.608 43.728 42.059 0.103 0.000 1.200 69 L HN 0.829 nan 8.230 nan 0.000 0.436 70 Y N 2.412 122.810 120.300 0.165 0.000 2.521 70 Y HA 0.314 4.864 4.550 -0.000 0.000 0.332 70 Y C -1.105 174.825 175.900 0.049 0.000 1.121 70 Y CA -1.359 56.776 58.100 0.058 0.000 1.037 70 Y CB 1.581 40.009 38.460 -0.053 0.000 1.330 70 Y HN 0.415 nan 8.280 nan 0.000 0.452 71 K N 4.359 124.191 120.400 -0.946 0.000 2.253 71 K HA 0.358 4.678 4.320 -0.000 0.000 0.277 71 K C -1.155 174.829 176.600 -1.027 0.000 1.053 71 K CA -0.407 55.449 56.287 -0.718 0.000 0.892 71 K CB 0.816 33.091 32.500 -0.376 0.000 1.102 71 K HN 0.777 nan 8.250 nan 0.000 0.469 72 Q N 3.276 122.773 119.800 -0.506 0.000 2.325 72 Q HA 0.115 4.455 4.340 -0.000 0.000 0.270 72 Q C -1.029 174.897 176.000 -0.125 0.000 1.020 72 Q CA -0.251 55.405 55.803 -0.245 0.000 0.785 72 Q CB 1.231 29.979 28.738 0.016 0.000 1.259 72 Q HN 0.691 nan 8.270 nan 0.000 0.452 73 E N 2.889 123.035 120.200 -0.091 0.000 2.403 73 E HA -0.366 3.984 4.350 -0.000 0.000 0.241 73 E C -0.394 176.163 176.600 -0.071 0.000 1.201 73 E CA 0.822 57.186 56.400 -0.059 0.000 0.721 73 E CB -1.061 28.620 29.700 -0.031 0.000 1.245 73 E HN 0.956 nan 8.360 nan 0.000 0.392 74 N N -1.448 117.194 118.700 -0.097 0.000 2.936 74 N HA -0.182 4.558 4.740 -0.000 0.000 0.236 74 N C -0.686 174.766 175.510 -0.097 0.000 0.930 74 N CA 1.296 54.294 53.050 -0.087 0.000 0.966 74 N CB -0.495 37.959 38.487 -0.054 0.000 1.090 74 N HN 0.378 nan 8.380 nan 0.000 0.592 75 N N 0.682 119.317 118.700 -0.107 0.000 2.530 75 N HA 0.301 5.041 4.740 -0.000 0.000 0.277 75 N C -0.112 175.317 175.510 -0.135 0.000 1.168 75 N CA 0.092 53.077 53.050 -0.107 0.000 0.979 75 N CB 0.924 39.360 38.487 -0.085 0.000 1.141 75 N HN 0.156 nan 8.380 nan 0.000 0.459 76 I N 2.405 122.901 120.570 -0.123 0.000 2.304 76 I HA 0.217 4.387 4.170 -0.000 0.000 0.291 76 I C 0.102 176.220 176.117 0.000 0.000 1.018 76 I CA -0.255 60.972 61.300 -0.123 0.000 1.260 76 I CB 0.590 38.457 38.000 -0.221 0.000 1.390 76 I HN 0.178 nan 8.210 nan 0.000 0.475 77 L N 6.641 127.885 121.223 0.034 0.000 2.344 77 L HA 0.602 4.942 4.340 -0.000 0.000 0.272 77 L C -0.489 176.441 176.870 0.099 0.000 1.035 77 L CA -1.148 53.725 54.840 0.056 0.000 0.807 77 L CB 1.835 43.928 42.059 0.055 0.000 1.237 77 L HN 0.210 nan 8.230 nan 0.000 0.442 78 V N 1.681 121.579 119.914 -0.027 0.000 2.394 78 V HA 0.380 4.500 4.120 -0.000 0.000 0.282 78 V C -0.421 175.534 176.094 -0.231 0.000 1.031 78 V CA -0.411 61.848 62.300 -0.069 0.000 0.881 78 V CB 1.007 32.788 31.823 -0.070 0.000 0.982 78 V HN 0.329 nan 8.190 nan 0.000 0.451 79 F N 2.778 122.433 119.950 -0.492 0.000 2.458 79 F HA 0.446 4.973 4.527 -0.000 0.000 0.330 79 F C 0.593 176.083 175.800 -0.516 0.000 1.082 79 F CA -0.881 56.766 58.000 -0.589 0.000 0.995 79 F CB 1.262 39.678 39.000 -0.973 0.000 1.170 79 F HN 0.452 nan 8.300 nan 0.000 0.478 80 N N 1.587 120.197 118.700 -0.150 0.000 2.422 80 N HA 0.300 5.040 4.740 -0.000 0.000 0.266 80 N C 0.381 175.834 175.510 -0.096 0.000 1.007 80 N CA 0.081 53.058 53.050 -0.122 0.000 0.941 80 N CB 1.801 40.270 38.487 -0.030 0.000 1.115 80 N HN 0.760 nan 8.380 nan 0.000 0.492 81 A N 3.709 126.439 122.820 -0.151 0.000 1.898 81 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 81 A C 1.841 179.169 177.584 -0.427 0.000 1.181 81 A CA 1.304 53.182 52.037 -0.265 0.000 0.620 81 A CB -0.494 18.243 19.000 -0.437 0.000 0.819 81 A HN 0.763 nan 8.150 nan 0.000 0.442 82 E N -0.901 119.006 120.200 -0.489 0.000 2.085 82 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 82 E C 1.201 177.563 176.600 -0.396 0.000 0.994 82 E CA 1.856 57.970 56.400 -0.478 0.000 0.801 82 E CB -0.329 29.002 29.700 -0.616 0.000 0.743 82 E HN 0.700 nan 8.360 nan 0.000 0.453 83 Y N -2.348 117.937 120.300 -0.025 0.000 2.430 83 Y HA 0.365 4.915 4.550 -0.000 0.000 0.254 83 Y C 1.646 177.540 175.900 -0.011 0.000 1.088 83 Y CA 0.373 58.469 58.100 -0.006 0.000 1.267 83 Y CB 1.034 39.496 38.460 0.004 0.000 1.204 83 Y HN 0.182 nan 8.280 nan 0.000 0.515 84 G N 0.746 109.618 108.800 0.120 0.000 2.225 84 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.254 84 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.254 84 G C 0.272 175.234 174.900 0.104 0.000 0.988 84 G CA 0.216 45.385 45.100 0.116 0.000 0.625 84 G HN 0.439 nan 8.290 nan 0.000 0.527 85 N N 0.894 119.618 118.700 0.040 0.000 2.482 85 N HA 0.467 5.207 4.740 -0.000 0.000 0.260 85 N C -0.162 175.211 175.510 -0.229 0.000 1.236 85 N CA 0.831 53.842 53.050 -0.064 0.000 0.938 85 N CB 1.205 39.662 38.487 -0.050 0.000 1.128 85 N HN 0.680 nan 8.380 nan 0.000 0.448 86 S N -0.161 115.321 115.700 -0.363 0.000 2.548 86 S HA 0.550 5.020 4.470 -0.000 0.000 0.286 86 S C -0.655 173.737 174.600 -0.346 0.000 1.098 86 S CA -0.938 56.907 58.200 -0.591 0.000 0.930 86 S CB 1.603 64.037 63.200 -1.276 0.000 1.070 86 S HN 0.606 nan 8.310 nan 0.000 0.480 87 S N 0.627 116.160 115.700 -0.278 0.000 2.718 87 S HA 0.636 5.106 4.470 -0.000 0.000 0.300 87 S C -0.549 173.969 174.600 -0.137 0.000 1.117 87 S CA -0.751 57.352 58.200 -0.161 0.000 1.002 87 S CB 1.667 64.813 63.200 -0.090 0.000 1.092 87 S HN 0.788 nan 8.310 nan 0.000 0.542 88 V N 2.888 122.747 119.914 -0.092 0.000 2.385 88 V HA 0.360 4.480 4.120 -0.000 0.000 0.269 88 V C 0.104 176.186 176.094 -0.019 0.000 1.043 88 V CA -0.148 62.113 62.300 -0.066 0.000 0.906 88 V CB 0.358 32.127 31.823 -0.089 0.000 0.995 88 V HN 0.908 nan 8.190 nan 0.000 0.467 89 F N 6.446 126.328 119.950 -0.115 0.000 2.179 89 F HA 0.371 4.898 4.527 -0.000 0.000 0.292 89 F C 0.582 176.325 175.800 -0.095 0.000 1.089 89 F CA 0.986 58.929 58.000 -0.095 0.000 1.295 89 F CB 0.492 39.441 39.000 -0.085 0.000 1.041 89 F HN 0.344 nan 8.300 nan 0.000 0.487 90 L N 1.952 123.130 121.223 -0.075 0.000 2.491 90 L HA 0.299 4.639 4.340 -0.000 0.000 0.267 90 L C -1.228 175.552 176.870 -0.149 0.000 0.971 90 L CA -0.594 54.147 54.840 -0.165 0.000 0.857 90 L CB 1.465 43.490 42.059 -0.057 0.000 1.226 90 L HN 0.037 nan 8.230 nan 0.000 0.408 91 E N 2.545 122.629 120.200 -0.193 0.000 2.384 91 E HA 0.014 4.364 4.350 -0.000 0.000 0.266 91 E C 1.043 177.546 176.600 -0.161 0.000 1.012 91 E CA -0.189 56.112 56.400 -0.166 0.000 0.901 91 E CB 0.490 30.086 29.700 -0.174 0.000 0.967 91 E HN 0.590 nan 8.360 nan 0.000 0.435 92 N N 2.053 120.682 118.700 -0.118 0.000 2.060 92 N HA -0.305 4.435 4.740 -0.000 0.000 0.195 92 N C 1.280 176.733 175.510 -0.095 0.000 1.028 92 N CA 2.067 55.062 53.050 -0.092 0.000 0.861 92 N CB -0.896 37.548 38.487 -0.072 0.000 1.029 92 N HN 0.475 nan 8.380 nan 0.000 0.428 93 S N -1.789 113.843 115.700 -0.113 0.000 2.561 93 S HA 0.029 4.499 4.470 -0.000 0.000 0.225 93 S C 0.466 174.958 174.600 -0.180 0.000 0.977 93 S CA -0.150 57.982 58.200 -0.113 0.000 0.926 93 S CB -1.003 62.139 63.200 -0.097 0.000 0.769 93 S HN 0.332 nan 8.310 nan 0.000 0.533 94 T N 2.674 117.048 114.554 -0.300 0.000 2.900 94 T HA 0.336 4.686 4.350 -0.000 0.000 0.307 94 T C -0.141 174.262 174.700 -0.496 0.000 1.065 94 T CA -0.047 61.698 62.100 -0.591 0.000 1.105 94 T CB -0.329 67.947 68.868 -0.987 0.000 0.979 94 T HN 0.378 nan 8.240 nan 0.000 0.544 95 F N 0.163 120.015 119.950 -0.163 0.000 3.074 95 F HA -0.172 4.355 4.527 -0.000 0.000 0.287 95 F C 0.839 176.634 175.800 -0.008 0.000 0.932 95 F CA -0.073 57.870 58.000 -0.096 0.000 0.995 95 F CB -2.410 36.405 39.000 -0.309 0.000 0.966 95 F HN 0.564 nan 8.300 nan 0.000 0.721 96 D N -0.021 120.427 120.400 0.081 0.000 2.262 96 D HA 0.000 4.640 4.640 -0.000 0.000 0.212 96 D C 1.878 178.223 176.300 0.075 0.000 0.964 96 D CA 0.965 54.999 54.000 0.057 0.000 0.875 96 D CB 0.070 40.867 40.800 -0.004 0.000 0.996 96 D HN 0.607 nan 8.370 nan 0.000 0.497 97 E N -0.742 119.508 120.200 0.082 0.000 2.463 97 E HA 0.005 4.355 4.350 -0.000 0.000 0.193 97 E C 1.043 177.719 176.600 0.127 0.000 1.041 97 E CA -0.315 56.127 56.400 0.069 0.000 0.879 97 E CB 0.184 29.906 29.700 0.036 0.000 0.997 97 E HN 0.109 nan 8.360 nan 0.000 0.478 98 F N 0.768 120.754 119.950 0.059 0.000 2.202 98 F HA -0.090 4.437 4.527 0.000 0.000 0.301 98 F C 1.643 177.438 175.800 -0.007 0.000 1.082 98 F CA 2.020 60.065 58.000 0.075 0.000 1.313 98 F CB 0.019 39.101 39.000 0.136 0.000 1.024 98 F HN 0.147 nan 8.300 nan 0.000 0.495 99 G N -0.611 108.133 108.800 -0.094 0.000 2.157 99 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.239 99 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.239 99 G C -0.149 174.462 174.900 -0.482 0.000 0.982 99 G CA 0.226 45.148 45.100 -0.296 0.000 0.650 99 G HN 0.643 nan 8.290 nan 0.000 0.527 100 H N -0.592 118.408 119.070 -0.117 0.000 2.894 100 H HA 0.630 5.186 4.556 -0.000 0.000 0.367 100 H C -0.080 175.321 175.328 0.121 0.000 1.144 100 H CA 0.104 56.125 56.048 -0.045 0.000 1.180 100 H CB 1.781 31.385 29.762 -0.263 0.000 1.758 100 H HN 0.251 nan 8.280 nan 0.000 0.541 101 S N 2.668 118.502 115.700 0.222 0.000 2.488 101 S HA 0.190 4.660 4.470 -0.000 0.000 0.278 101 S C -0.030 174.672 174.600 0.170 0.000 1.259 101 S CA -0.523 57.771 58.200 0.156 0.000 1.061 101 S CB -0.392 62.874 63.200 0.109 0.000 0.910 101 S HN 0.425 nan 8.310 nan 0.000 0.491 102 I N 6.308 126.938 120.570 0.101 0.000 2.312 102 I HA 0.185 4.355 4.170 -0.000 0.000 0.291 102 I C 1.670 177.799 176.117 0.021 0.000 1.031 102 I CA -0.308 61.016 61.300 0.041 0.000 1.293 102 I CB 0.830 38.763 38.000 -0.113 0.000 1.403 102 I HN 0.775 nan 8.210 nan 0.000 0.484 103 N N 4.311 123.021 118.700 0.018 0.000 2.290 103 N HA -0.048 4.692 4.740 -0.000 0.000 0.179 103 N C 0.206 175.675 175.510 -0.068 0.000 1.016 103 N CA 0.980 53.995 53.050 -0.059 0.000 0.871 103 N CB 0.568 38.986 38.487 -0.114 0.000 0.987 103 N HN 0.639 nan 8.380 nan 0.000 0.431 104 D N -1.761 118.629 120.400 -0.018 0.000 2.626 104 D HA 0.188 4.828 4.640 -0.000 0.000 0.278 104 D C -1.530 174.819 176.300 0.081 0.000 1.211 104 D CA -0.412 53.580 54.000 -0.015 0.000 0.903 104 D CB 1.611 42.386 40.800 -0.041 0.000 1.408 104 D HN 0.069 nan 8.370 nan 0.000 0.454 105 Y N -1.275 119.064 120.300 0.065 0.000 2.581 105 Y HA 0.713 5.263 4.550 -0.000 0.000 0.345 105 Y C -1.252 174.751 175.900 0.173 0.000 1.036 105 Y CA -0.952 57.207 58.100 0.098 0.000 1.042 105 Y CB 1.712 40.218 38.460 0.076 0.000 1.289 105 Y HN 0.132 nan 8.280 nan 0.000 0.471 106 S N 2.377 118.339 115.700 0.437 0.000 2.626 106 S HA 0.631 5.101 4.470 -0.000 0.000 0.275 106 S C -1.689 173.275 174.600 0.607 0.000 1.175 106 S CA -0.514 57.951 58.200 0.441 0.000 0.982 106 S CB 0.358 63.788 63.200 0.384 0.000 1.093 106 S HN 0.696 nan 8.310 nan 0.000 0.472 107 I N 3.930 124.732 120.570 0.388 0.000 2.359 107 I HA 0.330 4.500 4.170 -0.000 0.000 0.294 107 I C 0.653 176.560 176.117 -0.349 0.000 0.987 107 I CA -0.498 60.879 61.300 0.127 0.000 1.225 107 I CB 2.002 40.068 38.000 0.109 0.000 1.366 107 I HN 0.647 nan 8.210 nan 0.000 0.466 108 S N 6.546 121.713 115.700 -0.887 0.000 2.558 108 S HA -0.004 4.466 4.470 -0.000 0.000 0.291 108 S C -1.743 172.602 174.600 -0.425 0.000 1.306 108 S CA -0.830 56.663 58.200 -1.178 0.000 1.056 108 S CB 0.024 62.696 63.200 -0.880 0.000 0.836 108 S HN 0.481 nan 8.310 nan 0.000 0.504 109 P HA -0.087 nan 4.420 nan 0.000 0.217 109 P C -0.315 176.942 177.300 -0.071 0.000 1.151 109 P CA 1.317 64.360 63.100 -0.096 0.000 0.849 109 P CB -0.010 31.654 31.700 -0.060 0.000 0.787 110 D N -1.092 119.257 120.400 -0.085 0.000 2.454 110 D HA 0.308 4.948 4.640 -0.000 0.000 0.225 110 D C 0.688 176.984 176.300 -0.008 0.000 1.081 110 D CA -0.277 53.708 54.000 -0.026 0.000 0.864 110 D CB 0.131 40.917 40.800 -0.023 0.000 1.040 110 D HN -0.118 nan 8.370 nan 0.000 0.517 111 G N 2.008 110.812 108.800 0.007 0.000 2.924 111 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.273 111 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.273 111 G C 0.613 175.531 174.900 0.030 0.000 0.734 111 G CA -0.076 45.051 45.100 0.045 0.000 2.065 111 G HN 0.398 nan 8.290 nan 0.000 0.580 112 Q N -0.055 119.687 119.800 -0.096 0.000 2.322 112 Q HA 0.231 4.571 4.340 -0.000 0.000 0.250 112 Q C -0.365 175.172 176.000 -0.771 0.000 0.853 112 Q CA 0.402 55.948 55.803 -0.428 0.000 0.951 112 Q CB 1.090 29.500 28.738 -0.547 0.000 1.114 112 Q HN 0.545 nan 8.270 nan 0.000 0.523 113 F N 0.039 119.954 119.950 -0.058 0.000 2.650 113 F HA 0.592 5.119 4.527 -0.000 0.000 0.320 113 F C -0.617 175.255 175.800 0.120 0.000 1.091 113 F CA -1.220 56.797 58.000 0.027 0.000 0.962 113 F CB 1.937 40.967 39.000 0.049 0.000 1.363 113 F HN -0.218 nan 8.300 nan 0.000 0.482 114 I N 1.840 122.738 120.570 0.547 0.000 2.656 114 I HA 0.427 4.597 4.170 -0.000 0.000 0.292 114 I C -1.773 174.691 176.117 0.578 0.000 1.144 114 I CA -0.659 60.963 61.300 0.537 0.000 1.038 114 I CB 1.717 39.987 38.000 0.449 0.000 1.244 114 I HN 0.468 nan 8.210 nan 0.000 0.420 115 L N 7.663 129.255 121.223 0.616 0.000 2.281 115 L HA 0.380 4.720 4.340 -0.000 0.000 0.285 115 L C -0.842 176.189 176.870 0.267 0.000 1.074 115 L CA -0.500 54.573 54.840 0.389 0.000 0.817 115 L CB 0.945 43.160 42.059 0.261 0.000 1.168 115 L HN 0.495 nan 8.230 nan 0.000 0.434 116 L N 4.738 126.053 121.223 0.154 0.000 2.264 116 L HA 0.375 4.715 4.340 -0.000 0.000 0.287 116 L C 0.188 177.130 176.870 0.120 0.000 1.039 116 L CA -0.279 54.558 54.840 -0.004 0.000 0.829 116 L CB 1.141 42.938 42.059 -0.438 0.000 1.211 116 L HN 0.575 nan 8.230 nan 0.000 0.427 117 E N 4.219 124.455 120.200 0.060 0.000 2.259 117 E HA 0.334 4.684 4.350 -0.000 0.000 0.281 117 E C -1.431 175.150 176.600 -0.032 0.000 1.037 117 E CA -0.404 55.874 56.400 -0.202 0.000 0.854 117 E CB 0.775 30.436 29.700 -0.065 0.000 1.051 117 E HN 0.460 nan 8.360 nan 0.000 0.409 118 Y N 1.733 121.854 120.300 -0.297 0.000 2.689 118 Y HA 0.394 4.944 4.550 -0.000 0.000 0.333 118 Y C -0.233 175.590 175.900 -0.128 0.000 1.190 118 Y CA -1.629 56.391 58.100 -0.133 0.000 1.063 118 Y CB 0.469 38.904 38.460 -0.041 0.000 1.294 118 Y HN 0.515 nan 8.280 nan 0.000 0.466 119 N N -0.187 118.526 118.700 0.022 0.000 2.721 119 N HA -0.295 4.445 4.740 -0.000 0.000 0.249 119 N C -0.974 174.528 175.510 -0.012 0.000 1.072 119 N CA 1.057 54.090 53.050 -0.028 0.000 0.710 119 N CB -1.571 36.815 38.487 -0.167 0.000 0.993 119 N HN 0.835 nan 8.380 nan 0.000 0.547 120 Y N 0.285 120.523 120.300 -0.102 0.000 2.729 120 Y HA 0.265 4.815 4.550 -0.000 0.000 0.331 120 Y C -0.134 175.744 175.900 -0.037 0.000 1.208 120 Y CA -0.145 57.909 58.100 -0.077 0.000 1.521 120 Y CB 0.580 38.931 38.460 -0.180 0.000 1.233 120 Y HN 0.000 nan 8.280 nan 0.000 0.539 121 V N 8.003 127.740 119.914 -0.295 0.000 2.407 121 V HA 0.239 4.359 4.120 -0.000 0.000 0.291 121 V C -0.049 175.729 176.094 -0.527 0.000 1.018 121 V CA -1.508 60.615 62.300 -0.294 0.000 0.842 121 V CB 1.236 32.977 31.823 -0.138 0.000 0.996 121 V HN 0.739 nan 8.190 nan 0.000 0.426 122 K N 3.209 123.271 120.400 -0.563 0.000 2.414 122 K HA 0.150 4.470 4.320 -0.000 0.000 0.272 122 K C 0.440 176.840 176.600 -0.333 0.000 0.993 122 K CA 0.289 56.327 56.287 -0.416 0.000 0.964 122 K CB 0.988 33.429 32.500 -0.098 0.000 0.925 122 K HN 0.824 nan 8.250 nan 0.000 0.487 123 Q N 2.350 121.916 119.800 -0.391 0.000 2.729 123 Q HA 0.163 4.503 4.340 -0.000 0.000 0.228 123 Q C 0.032 175.714 176.000 -0.531 0.000 1.021 123 Q CA -0.284 55.083 55.803 -0.728 0.000 0.561 123 Q CB 0.108 28.242 28.738 -1.008 0.000 3.921 123 Q HN 0.685 nan 8.270 nan 0.000 0.430 124 W N 0.089 121.371 121.300 -0.031 0.000 1.756 124 W HA 0.368 5.028 4.660 -0.000 0.000 0.638 124 W C 1.808 178.303 176.519 -0.041 0.000 1.472 124 W CA -0.673 56.683 57.345 0.019 0.000 1.437 124 W CB -0.254 29.192 29.460 -0.023 0.000 3.368 124 W HN 0.269 nan 8.180 nan 0.000 0.771 125 R N -0.651 119.940 120.500 0.151 0.000 2.096 125 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 125 R C 1.460 177.569 176.300 -0.318 0.000 1.127 125 R CA 2.153 58.163 56.100 -0.150 0.000 0.968 125 R CB -0.333 29.776 30.300 -0.319 0.000 0.861 125 R HN 0.558 nan 8.270 nan 0.000 0.440 126 H N -1.830 117.292 119.070 0.087 0.000 2.926 126 H HA 0.197 4.753 4.556 -0.000 0.000 0.249 126 H C 0.223 175.610 175.328 0.099 0.000 0.963 126 H CA 0.229 56.348 56.048 0.118 0.000 1.158 126 H CB 0.599 30.405 29.762 0.074 0.000 1.445 126 H HN 0.097 nan 8.280 nan 0.000 0.452 127 S N 1.276 116.929 115.700 -0.078 0.000 2.576 127 S HA 0.349 4.819 4.470 -0.000 0.000 0.276 127 S C -0.515 173.895 174.600 -0.317 0.000 1.339 127 S CA -0.532 57.270 58.200 -0.662 0.000 1.039 127 S CB 0.412 62.796 63.200 -1.361 0.000 0.902 127 S HN 0.458 nan 8.310 nan 0.000 0.516 128 Y N -2.256 117.834 120.300 -0.350 0.000 2.702 128 Y HA 0.715 5.265 4.550 -0.000 0.000 0.336 128 Y C -0.894 174.946 175.900 -0.099 0.000 1.203 128 Y CA -1.137 56.765 58.100 -0.331 0.000 1.072 128 Y CB 0.920 39.076 38.460 -0.506 0.000 1.327 128 Y HN 0.579 nan 8.280 nan 0.000 0.456 129 T N 1.537 116.095 114.554 0.006 0.000 2.863 129 T HA 0.907 5.257 4.350 -0.000 0.000 0.285 129 T C -0.951 173.799 174.700 0.082 0.000 1.009 129 T CA 0.119 62.246 62.100 0.045 0.000 0.989 129 T CB 1.087 69.941 68.868 -0.022 0.000 1.004 129 T HN 1.212 nan 8.240 nan 0.000 0.455 130 A N 2.282 125.148 122.820 0.077 0.000 2.588 130 A HA 0.837 5.157 4.320 -0.000 0.000 0.290 130 A C -0.866 176.513 177.584 -0.342 0.000 1.136 130 A CA -0.756 51.200 52.037 -0.135 0.000 0.681 130 A CB 1.377 20.292 19.000 -0.141 0.000 1.282 130 A HN 0.694 nan 8.150 nan 0.000 0.421 131 S N -0.828 114.421 115.700 -0.752 0.000 2.638 131 S HA 0.831 5.301 4.470 -0.000 0.000 0.298 131 S C -1.494 172.428 174.600 -1.129 0.000 1.111 131 S CA -0.180 57.498 58.200 -0.871 0.000 1.027 131 S CB 0.839 63.381 63.200 -1.096 0.000 1.064 131 S HN 0.481 nan 8.310 nan 0.000 0.525 132 Y N -0.102 119.982 120.300 -0.360 0.000 2.504 132 Y HA 0.519 5.069 4.550 -0.000 0.000 0.344 132 Y C -0.560 175.393 175.900 0.088 0.000 1.023 132 Y CA -0.889 57.160 58.100 -0.084 0.000 1.020 132 Y CB 1.924 40.266 38.460 -0.198 0.000 1.282 132 Y HN 0.512 nan 8.280 nan 0.000 0.454 133 D N 1.784 122.396 120.400 0.353 0.000 2.547 133 D HA 0.601 5.241 4.640 -0.000 0.000 0.231 133 D C -1.138 175.288 176.300 0.210 0.000 1.099 133 D CA -0.393 53.769 54.000 0.269 0.000 0.901 133 D CB 2.616 43.632 40.800 0.360 0.000 1.478 133 D HN 0.378 nan 8.370 nan 0.000 0.471 134 I N 1.605 122.295 120.570 0.200 0.000 2.389 134 I HA 0.239 4.409 4.170 -0.000 0.000 0.288 134 I C -0.946 175.375 176.117 0.341 0.000 0.999 134 I CA -0.937 60.518 61.300 0.259 0.000 1.129 134 I CB 1.565 39.674 38.000 0.181 0.000 1.288 134 I HN 0.232 nan 8.210 nan 0.000 0.444 135 Y N 5.777 126.232 120.300 0.258 0.000 2.350 135 Y HA 0.220 4.770 4.550 -0.000 0.000 0.340 135 Y C 0.195 176.281 175.900 0.310 0.000 1.006 135 Y CA -0.522 57.746 58.100 0.279 0.000 1.166 135 Y CB 0.790 39.456 38.460 0.343 0.000 1.168 135 Y HN 0.500 nan 8.280 nan 0.000 0.502 136 D N 6.068 126.379 120.400 -0.149 0.000 2.338 136 D HA 0.030 4.670 4.640 -0.000 0.000 0.255 136 D C 0.380 176.337 176.300 -0.572 0.000 1.237 136 D CA 0.398 54.272 54.000 -0.211 0.000 0.883 136 D CB 1.025 41.766 40.800 -0.098 0.000 1.087 136 D HN 0.833 nan 8.370 nan 0.000 0.485 137 L N 3.908 124.865 121.223 -0.443 0.000 2.023 137 L HA -0.012 4.328 4.340 -0.000 0.000 0.205 137 L C 1.827 178.513 176.870 -0.306 0.000 1.073 137 L CA 0.475 55.131 54.840 -0.307 0.000 0.745 137 L CB -0.251 41.697 42.059 -0.186 0.000 0.900 137 L HN 0.484 nan 8.230 nan 0.000 0.435 138 N N 1.085 119.583 118.700 -0.336 0.000 2.780 138 N HA -0.043 4.697 4.740 -0.000 0.000 0.250 138 N C -0.566 174.817 175.510 -0.212 0.000 1.409 138 N CA 0.632 53.536 53.050 -0.243 0.000 0.965 138 N CB -0.011 38.340 38.487 -0.227 0.000 1.314 138 N HN 0.291 nan 8.380 nan 0.000 0.526 139 K N -1.303 118.957 120.400 -0.234 0.000 2.772 139 K HA 0.125 4.445 4.320 -0.000 0.000 0.292 139 K C 0.016 176.473 176.600 -0.238 0.000 1.049 139 K CA -0.669 55.496 56.287 -0.204 0.000 0.846 139 K CB 0.983 33.365 32.500 -0.198 0.000 1.514 139 K HN 0.019 nan 8.250 nan 0.000 0.373 140 R N 0.709 121.119 120.500 -0.150 0.000 2.310 140 R HA 0.104 4.444 4.340 -0.000 0.000 0.202 140 R C -0.025 176.229 176.300 -0.078 0.000 0.933 140 R CA 0.288 56.352 56.100 -0.060 0.000 1.054 140 R CB 0.139 30.440 30.300 0.001 0.000 0.985 140 R HN 0.322 nan 8.270 nan 0.000 0.489 141 Q N 1.285 120.915 119.800 -0.284 0.000 2.312 141 Q HA 0.393 4.733 4.340 -0.000 0.000 0.263 141 Q C -0.888 175.036 176.000 -0.128 0.000 0.995 141 Q CA -0.756 54.982 55.803 -0.108 0.000 0.853 141 Q CB 2.516 31.222 28.738 -0.053 0.000 1.300 141 Q HN 0.106 nan 8.270 nan 0.000 0.448 142 L N 3.397 124.744 121.223 0.207 0.000 2.410 142 L HA 0.179 4.519 4.340 -0.000 0.000 0.273 142 L C 0.237 177.195 176.870 0.147 0.000 1.152 142 L CA -0.430 54.578 54.840 0.280 0.000 0.855 142 L CB 0.018 42.301 42.059 0.372 0.000 1.129 142 L HN 0.571 nan 8.230 nan 0.000 0.463 143 I N 0.129 120.781 120.570 0.136 0.000 2.496 143 I HA 0.162 4.332 4.170 -0.000 0.000 0.285 143 I C 0.644 176.804 176.117 0.072 0.000 1.080 143 I CA 0.602 61.954 61.300 0.087 0.000 1.404 143 I CB 1.122 39.166 38.000 0.074 0.000 1.403 143 I HN 0.505 nan 8.210 nan 0.000 0.539 144 T N 3.656 118.237 114.554 0.045 0.000 2.969 144 T HA 0.182 4.532 4.350 -0.000 0.000 0.250 144 T C 0.314 175.015 174.700 0.003 0.000 1.021 144 T CA 0.132 62.252 62.100 0.032 0.000 1.003 144 T CB -0.127 68.762 68.868 0.034 0.000 1.040 144 T HN 0.742 nan 8.240 nan 0.000 0.492 145 E N 2.177 122.374 120.200 -0.005 0.000 2.313 145 E HA 0.306 4.656 4.350 -0.000 0.000 0.272 145 E C -0.282 176.291 176.600 -0.046 0.000 1.038 145 E CA -0.480 55.905 56.400 -0.025 0.000 0.863 145 E CB 0.452 30.140 29.700 -0.020 0.000 1.060 145 E HN 0.017 nan 8.360 nan 0.000 0.402 146 E N 0.931 121.090 120.200 -0.068 0.000 2.476 146 E HA -0.223 4.127 4.350 -0.000 0.000 0.251 146 E C -0.651 175.872 176.600 -0.127 0.000 1.130 146 E CA 0.640 56.982 56.400 -0.096 0.000 0.736 146 E CB -1.521 28.132 29.700 -0.078 0.000 1.298 146 E HN 0.537 nan 8.360 nan 0.000 0.400 147 R N -0.283 120.138 120.500 -0.133 0.000 2.811 147 R HA 0.236 4.576 4.340 -0.000 0.000 0.265 147 R C 1.172 177.296 176.300 -0.292 0.000 1.026 147 R CA -0.170 55.836 56.100 -0.157 0.000 1.142 147 R CB 0.335 30.567 30.300 -0.113 0.000 1.027 147 R HN 0.104 nan 8.270 nan 0.000 0.465 148 I N 3.414 123.769 120.570 -0.359 0.000 2.648 148 I HA 0.010 4.180 4.170 -0.000 0.000 0.284 148 I C -1.739 174.054 176.117 -0.541 0.000 1.153 148 I CA -1.473 59.435 61.300 -0.652 0.000 1.426 148 I CB 0.461 38.079 38.000 -0.637 0.000 1.381 148 I HN 0.307 nan 8.210 nan 0.000 0.571 149 P HA -0.009 nan 4.420 nan 0.000 0.267 149 P C -0.787 176.280 177.300 -0.389 0.000 1.201 149 P CA -0.092 62.578 63.100 -0.716 0.000 0.775 149 P CB 0.286 31.087 31.700 -1.499 0.000 0.854 150 N N 2.550 121.099 118.700 -0.251 0.000 2.381 150 N HA -0.030 4.710 4.740 -0.000 0.000 0.241 150 N C 0.474 176.032 175.510 0.080 0.000 1.279 150 N CA 0.477 53.459 53.050 -0.113 0.000 0.896 150 N CB -0.525 37.919 38.487 -0.072 0.000 1.118 150 N HN 0.404 nan 8.380 nan 0.000 0.438 151 N N -1.167 117.581 118.700 0.079 0.000 2.735 151 N HA -0.168 4.572 4.740 -0.000 0.000 0.248 151 N C -0.823 174.882 175.510 0.324 0.000 1.083 151 N CA 0.741 53.894 53.050 0.172 0.000 0.703 151 N CB -1.694 36.899 38.487 0.177 0.000 1.005 151 N HN 0.472 nan 8.380 nan 0.000 0.550 152 T N 0.556 115.285 114.554 0.291 0.000 2.907 152 T HA 0.137 4.487 4.350 -0.000 0.000 0.298 152 T C 1.706 176.556 174.700 0.250 0.000 1.017 152 T CA 0.031 62.325 62.100 0.322 0.000 1.118 152 T CB 1.405 70.369 68.868 0.160 0.000 0.948 152 T HN 0.175 nan 8.240 nan 0.000 0.531 153 Q N 1.213 121.147 119.800 0.224 0.000 2.297 153 Q HA 0.184 4.524 4.340 -0.000 0.000 0.203 153 Q C -0.003 176.132 176.000 0.224 0.000 0.931 153 Q CA 0.381 56.317 55.803 0.221 0.000 0.885 153 Q CB 0.763 29.576 28.738 0.125 0.000 0.991 153 Q HN 0.685 nan 8.270 nan 0.000 0.498 154 W N -0.205 121.035 121.300 -0.100 0.000 3.464 154 W HA 0.426 5.086 4.660 -0.000 0.000 0.292 154 W C -2.278 174.138 176.519 -0.172 0.000 1.262 154 W CA -0.658 56.583 57.345 -0.173 0.000 1.202 154 W CB 0.986 30.284 29.460 -0.271 0.000 1.334 154 W HN -0.331 nan 8.180 nan 0.000 0.561 155 V N 2.332 121.579 119.914 -1.112 0.000 3.049 155 V HA 0.796 4.916 4.120 -0.000 0.000 0.309 155 V C -0.434 175.003 176.094 -1.094 0.000 1.148 155 V CA -0.755 61.001 62.300 -0.907 0.000 0.990 155 V CB 1.875 33.090 31.823 -1.013 0.000 1.039 155 V HN 0.508 nan 8.190 nan 0.000 0.430 156 T N -0.042 114.199 114.554 -0.521 0.000 2.923 156 T HA 0.515 4.865 4.350 -0.000 0.000 0.311 156 T C -1.114 173.545 174.700 -0.067 0.000 1.183 156 T CA -0.547 61.430 62.100 -0.205 0.000 1.020 156 T CB 1.436 70.448 68.868 0.240 0.000 1.165 156 T HN 0.596 nan 8.240 nan 0.000 0.482 157 W N 2.164 123.502 121.300 0.064 0.000 2.161 157 W HA 0.464 5.124 4.660 -0.000 0.000 0.344 157 W C 1.262 177.701 176.519 -0.132 0.000 1.262 157 W CA -0.582 56.767 57.345 0.008 0.000 1.270 157 W CB 0.604 30.067 29.460 0.004 0.000 1.126 157 W HN 0.800 nan 8.180 nan 0.000 0.598 158 S N 1.269 116.769 115.700 -0.333 0.000 2.608 158 S HA 0.178 4.648 4.470 -0.000 0.000 0.261 158 S C -1.832 172.547 174.600 -0.368 0.000 1.314 158 S CA -0.928 56.570 58.200 -1.169 0.000 0.992 158 S CB 0.874 63.140 63.200 -1.557 0.000 0.935 158 S HN 0.285 nan 8.310 nan 0.000 0.564 159 P HA 0.063 nan 4.420 nan 0.000 0.221 159 P C 0.178 177.437 177.300 -0.069 0.000 1.150 159 P CA 0.694 63.762 63.100 -0.053 0.000 0.800 159 P CB -0.193 31.506 31.700 -0.003 0.000 0.787 160 V N -6.002 113.824 119.914 -0.148 0.000 2.876 160 V HA 0.879 4.999 4.120 -0.000 0.000 0.312 160 V C 0.388 176.374 176.094 -0.180 0.000 1.085 160 V CA -0.306 61.919 62.300 -0.125 0.000 0.945 160 V CB 1.032 32.794 31.823 -0.101 0.000 1.017 160 V HN 0.423 nan 8.190 nan 0.000 0.428 161 G N 3.312 112.016 108.800 -0.161 0.000 2.528 161 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.262 161 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.262 161 G C 0.169 174.955 174.900 -0.190 0.000 1.200 161 G CA 0.599 45.550 45.100 -0.248 0.000 0.951 161 G HN 2.478 nan 8.290 nan 0.000 0.566 162 H N -0.526 118.546 119.070 0.003 0.000 2.779 162 H HA 0.508 5.064 4.556 -0.000 0.000 0.230 162 H C 0.132 175.607 175.328 0.245 0.000 1.365 162 H CA -0.383 55.717 56.048 0.086 0.000 1.086 162 H CB -0.053 29.773 29.762 0.108 0.000 2.038 162 H HN 0.455 nan 8.280 nan 0.000 0.558 163 K N 1.707 122.208 120.400 0.169 0.000 2.185 163 K HA 0.452 4.772 4.320 -0.000 0.000 0.271 163 K C -0.438 176.298 176.600 0.227 0.000 1.013 163 K CA -0.496 55.863 56.287 0.120 0.000 0.943 163 K CB 1.854 34.237 32.500 -0.194 0.000 0.998 163 K HN 0.214 nan 8.250 nan 0.000 0.468 164 L N 1.598 122.942 121.223 0.202 0.000 2.365 164 L HA 0.550 4.890 4.340 -0.000 0.000 0.273 164 L C -0.709 176.348 176.870 0.312 0.000 1.000 164 L CA -0.807 54.087 54.840 0.090 0.000 0.819 164 L CB 2.023 43.971 42.059 -0.184 0.000 1.284 164 L HN 0.681 nan 8.230 nan 0.000 0.418 165 A N 2.881 125.896 122.820 0.325 0.000 2.343 165 A HA 0.784 5.104 4.320 -0.000 0.000 0.316 165 A C -1.453 176.143 177.584 0.019 0.000 1.104 165 A CA -0.378 51.729 52.037 0.116 0.000 0.768 165 A CB 0.997 19.942 19.000 -0.091 0.000 1.213 165 A HN 0.648 nan 8.150 nan 0.000 0.456 166 Y N -0.249 119.991 120.300 -0.100 0.000 2.581 166 Y HA 0.775 5.325 4.550 -0.000 0.000 0.345 166 Y C -1.141 174.756 175.900 -0.005 0.000 1.036 166 Y CA -1.594 56.427 58.100 -0.132 0.000 1.042 166 Y CB 1.293 39.614 38.460 -0.232 0.000 1.289 166 Y HN 0.358 nan 8.280 nan 0.000 0.471 167 V N 2.427 122.450 119.914 0.180 0.000 2.409 167 V HA 0.326 4.446 4.120 -0.000 0.000 0.291 167 V C -1.381 174.913 176.094 0.334 0.000 1.020 167 V CA -0.630 61.755 62.300 0.141 0.000 0.848 167 V CB 1.074 32.897 31.823 -0.001 0.000 0.990 167 V HN 0.885 nan 8.190 nan 0.000 0.430 168 W N 5.006 126.399 121.300 0.154 0.000 2.957 168 W HA 0.505 5.165 4.660 -0.000 0.000 0.336 168 W C 0.235 176.796 176.519 0.070 0.000 1.087 168 W CA -0.762 56.645 57.345 0.103 0.000 1.235 168 W CB 1.287 30.798 29.460 0.085 0.000 1.399 168 W HN 0.746 nan 8.180 nan 0.000 0.480 169 N N 5.013 123.305 118.700 -0.680 0.000 2.714 169 N HA -0.337 4.403 4.740 -0.000 0.000 0.252 169 N C -0.049 175.293 175.510 -0.279 0.000 1.014 169 N CA 1.257 53.950 53.050 -0.596 0.000 0.735 169 N CB -0.960 37.025 38.487 -0.836 0.000 0.924 169 N HN 0.687 nan 8.380 nan 0.000 0.540 170 N N -2.165 116.430 118.700 -0.175 0.000 2.815 170 N HA -0.182 4.558 4.740 -0.000 0.000 0.247 170 N C -1.369 174.062 175.510 -0.132 0.000 1.030 170 N CA 1.715 54.680 53.050 -0.142 0.000 0.881 170 N CB -0.444 37.918 38.487 -0.208 0.000 1.134 170 N HN 0.564 nan 8.380 nan 0.000 0.582 171 D N -0.270 120.063 120.400 -0.111 0.000 2.457 171 D HA 0.487 5.127 4.640 -0.000 0.000 0.240 171 D C 0.422 176.575 176.300 -0.245 0.000 1.041 171 D CA -0.479 53.390 54.000 -0.218 0.000 0.861 171 D CB 1.328 41.968 40.800 -0.268 0.000 1.394 171 D HN 0.002 nan 8.370 nan 0.000 0.473 172 I N 1.549 121.813 120.570 -0.509 0.000 2.532 172 I HA 0.264 4.434 4.170 -0.000 0.000 0.292 172 I C -0.578 175.045 176.117 -0.822 0.000 1.014 172 I CA -0.300 60.671 61.300 -0.549 0.000 1.340 172 I CB 0.544 38.148 38.000 -0.660 0.000 1.422 172 I HN 0.195 nan 8.210 nan 0.000 0.528 173 Y N 3.190 123.110 120.300 -0.634 0.000 2.562 173 Y HA 0.667 5.217 4.550 -0.000 0.000 0.345 173 Y C -0.597 174.999 175.900 -0.507 0.000 1.045 173 Y CA -0.902 56.796 58.100 -0.670 0.000 1.028 173 Y CB 2.138 39.896 38.460 -1.171 0.000 1.297 173 Y HN 0.096 nan 8.280 nan 0.000 0.463 174 V N 2.328 122.212 119.914 -0.051 0.000 2.686 174 V HA 0.433 4.553 4.120 -0.000 0.000 0.306 174 V C -1.104 175.137 176.094 0.245 0.000 1.065 174 V CA -1.387 60.980 62.300 0.111 0.000 0.894 174 V CB 2.119 34.024 31.823 0.137 0.000 1.004 174 V HN 0.609 nan 8.190 nan 0.000 0.424 175 K N 4.715 125.256 120.400 0.235 0.000 2.425 175 K HA 0.499 4.819 4.320 -0.000 0.000 0.259 175 K C 0.464 177.193 176.600 0.215 0.000 0.978 175 K CA -0.705 55.705 56.287 0.204 0.000 0.883 175 K CB 1.688 34.262 32.500 0.123 0.000 1.110 175 K HN 0.441 nan 8.250 nan 0.000 0.436 176 I N 1.175 121.897 120.570 0.252 0.000 2.394 176 I HA -0.085 4.085 4.170 -0.000 0.000 0.251 176 I C 0.379 176.617 176.117 0.202 0.000 1.136 176 I CA 1.472 62.899 61.300 0.211 0.000 1.425 176 I CB -0.300 37.834 38.000 0.223 0.000 1.079 176 I HN 0.566 nan 8.210 nan 0.000 0.425 177 E N -0.368 119.919 120.200 0.145 0.000 2.272 177 E HA 0.281 4.631 4.350 -0.000 0.000 0.269 177 E C -1.909 174.647 176.600 -0.074 0.000 0.877 177 E CA -1.912 54.521 56.400 0.056 0.000 0.755 177 E CB 2.084 31.822 29.700 0.064 0.000 1.192 177 E HN -0.157 nan 8.360 nan 0.000 0.422 178 P HA -0.144 nan 4.420 nan 0.000 0.218 178 P C 0.841 178.052 177.300 -0.149 0.000 1.148 178 P CA 1.204 64.129 63.100 -0.292 0.000 0.822 178 P CB 0.314 31.610 31.700 -0.673 0.000 0.784 179 N N -1.420 117.217 118.700 -0.104 0.000 2.336 179 N HA 0.010 4.750 4.740 -0.000 0.000 0.189 179 N C 0.070 175.560 175.510 -0.032 0.000 1.113 179 N CA 0.242 53.267 53.050 -0.043 0.000 0.858 179 N CB -0.139 38.343 38.487 -0.007 0.000 0.970 179 N HN 0.067 nan 8.380 nan 0.000 0.471 180 L N 1.394 122.599 121.223 -0.030 0.000 2.375 180 L HA 0.571 4.911 4.340 -0.000 0.000 0.268 180 L C -2.135 174.702 176.870 -0.055 0.000 1.058 180 L CA -2.333 52.491 54.840 -0.026 0.000 0.803 180 L CB 0.974 43.037 42.059 0.008 0.000 1.212 180 L HN -0.105 nan 8.230 nan 0.000 0.451 181 P HA 0.110 nan 4.420 nan 0.000 0.267 181 P C -0.940 176.240 177.300 -0.200 0.000 1.200 181 P CA -0.233 62.785 63.100 -0.137 0.000 0.772 181 P CB 0.397 32.002 31.700 -0.159 0.000 0.855 182 S N 1.567 117.192 115.700 -0.125 0.000 2.610 182 S HA 0.395 4.865 4.470 -0.000 0.000 0.273 182 S C -0.721 173.775 174.600 -0.173 0.000 1.274 182 S CA -0.481 57.686 58.200 -0.055 0.000 1.023 182 S CB 0.083 63.353 63.200 0.117 0.000 0.962 182 S HN 0.225 nan 8.310 nan 0.000 0.523 183 Y N 0.561 120.889 120.300 0.047 0.000 2.313 183 Y HA 0.429 4.979 4.550 -0.000 0.000 0.332 183 Y C 0.954 176.776 175.900 -0.130 0.000 1.071 183 Y CA -0.780 57.318 58.100 -0.003 0.000 1.169 183 Y CB 0.802 39.258 38.460 -0.007 0.000 1.192 183 Y HN 0.655 nan 8.280 nan 0.000 0.487 184 R N 3.645 124.071 120.500 -0.125 0.000 2.248 184 R HA 0.214 4.554 4.340 -0.000 0.000 0.328 184 R C 0.224 176.217 176.300 -0.510 0.000 1.067 184 R CA -0.109 55.586 56.100 -0.676 0.000 0.924 184 R CB 0.222 29.957 30.300 -0.942 0.000 1.013 184 R HN 0.755 nan 8.270 nan 0.000 0.454 185 I N 2.242 122.441 120.570 -0.617 0.000 2.585 185 I HA -0.038 4.132 4.170 -0.000 0.000 0.254 185 I C 1.167 177.045 176.117 -0.399 0.000 1.129 185 I CA 1.015 62.079 61.300 -0.392 0.000 1.455 185 I CB -0.780 36.977 38.000 -0.405 0.000 1.111 185 I HN 0.632 nan 8.210 nan 0.000 0.433 186 T N -4.122 110.062 114.554 -0.616 0.000 2.907 186 T HA 0.420 4.770 4.350 -0.000 0.000 0.292 186 T C -0.565 173.809 174.700 -0.544 0.000 1.043 186 T CA -0.532 61.306 62.100 -0.435 0.000 1.003 186 T CB 2.055 70.677 68.868 -0.410 0.000 1.084 186 T HN 0.191 nan 8.240 nan 0.000 0.483 187 W N -0.058 121.133 121.300 -0.183 0.000 2.324 187 W HA 0.200 4.860 4.660 -0.000 0.000 0.316 187 W C 2.061 178.528 176.519 -0.086 0.000 0.927 187 W CA 0.034 57.308 57.345 -0.120 0.000 1.438 187 W CB 0.510 29.917 29.460 -0.088 0.000 1.085 187 W HN 0.914 nan 8.180 nan 0.000 0.532 188 T N -2.424 112.183 114.554 0.088 0.000 3.065 188 T HA 0.233 4.583 4.350 -0.000 0.000 0.252 188 T C 1.333 176.036 174.700 0.005 0.000 1.099 188 T CA 0.337 62.469 62.100 0.054 0.000 1.063 188 T CB -0.320 68.578 68.868 0.050 0.000 0.948 188 T HN 0.003 nan 8.240 nan 0.000 0.506 189 G N 1.305 110.078 108.800 -0.045 0.000 2.224 189 G HA2 0.321 4.281 3.960 -0.000 0.000 0.239 189 G HA3 0.321 4.281 3.960 -0.000 0.000 0.239 189 G C -0.590 174.254 174.900 -0.093 0.000 1.240 189 G CA -0.301 44.746 45.100 -0.089 0.000 0.896 189 G HN 0.571 nan 8.290 nan 0.000 0.496 190 K N 1.694 122.016 120.400 -0.129 0.000 2.543 190 K HA 0.170 4.490 4.320 -0.000 0.000 0.255 190 K C -0.212 176.269 176.600 -0.199 0.000 0.934 190 K CA -0.697 55.513 56.287 -0.129 0.000 0.810 190 K CB 1.813 34.272 32.500 -0.067 0.000 1.315 190 K HN 0.573 nan 8.250 nan 0.000 0.433 191 E N 2.259 122.353 120.200 -0.177 0.000 2.529 191 E HA -0.130 4.220 4.350 -0.000 0.000 0.259 191 E C -0.555 175.958 176.600 -0.145 0.000 0.966 191 E CA 1.215 57.508 56.400 -0.179 0.000 0.937 191 E CB 0.299 29.931 29.700 -0.112 0.000 0.923 191 E HN 0.636 nan 8.360 nan 0.000 0.468 192 D N 1.733 122.028 120.400 -0.175 0.000 2.978 192 D HA -0.247 4.393 4.640 -0.000 0.000 0.205 192 D C 0.511 176.871 176.300 0.100 0.000 1.093 192 D CA 1.504 55.534 54.000 0.051 0.000 1.006 192 D CB -0.900 39.956 40.800 0.092 0.000 1.116 192 D HN 0.440 nan 8.370 nan 0.000 0.419 193 I N -0.906 119.633 120.570 -0.051 0.000 3.650 193 I HA 0.087 4.257 4.170 -0.000 0.000 0.261 193 I C 0.361 176.545 176.117 0.110 0.000 1.154 193 I CA 0.053 61.397 61.300 0.073 0.000 1.418 193 I CB 0.638 38.660 38.000 0.038 0.000 1.539 193 I HN -0.161 nan 8.210 nan 0.000 0.449 194 I N 1.097 121.644 120.570 -0.039 0.000 2.406 194 I HA 0.254 4.424 4.170 -0.000 0.000 0.290 194 I C -1.428 174.649 176.117 -0.067 0.000 0.999 194 I CA -0.575 60.759 61.300 0.058 0.000 1.124 194 I CB 0.666 38.695 38.000 0.049 0.000 1.289 194 I HN 0.066 nan 8.210 nan 0.000 0.441 195 Y N 4.572 124.971 120.300 0.166 0.000 2.464 195 Y HA 0.354 4.904 4.550 -0.000 0.000 0.326 195 Y C 0.407 176.391 175.900 0.139 0.000 0.969 195 Y CA -0.653 57.550 58.100 0.172 0.000 1.270 195 Y CB 0.756 39.395 38.460 0.298 0.000 1.103 195 Y HN 0.413 nan 8.280 nan 0.000 0.491 196 N N 2.727 121.491 118.700 0.108 0.000 2.500 196 N HA 0.282 5.022 4.740 -0.000 0.000 0.236 196 N C 0.935 176.380 175.510 -0.109 0.000 1.022 196 N CA 0.600 53.642 53.050 -0.013 0.000 0.935 196 N CB 1.527 39.905 38.487 -0.182 0.000 1.147 196 N HN 1.013 nan 8.380 nan 0.000 0.512 197 G N 1.657 110.432 108.800 -0.041 0.000 2.176 197 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.253 197 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.253 197 G C 0.124 174.900 174.900 -0.208 0.000 0.979 197 G CA 0.446 45.455 45.100 -0.151 0.000 0.641 197 G HN 0.622 nan 8.290 nan 0.000 0.530 198 I N -1.085 119.423 120.570 -0.103 0.000 2.785 198 I HA 0.812 4.982 4.170 -0.000 0.000 0.302 198 I C 0.480 176.616 176.117 0.031 0.000 1.069 198 I CA -0.687 60.456 61.300 -0.262 0.000 1.045 198 I CB 1.986 39.656 38.000 -0.550 0.000 1.236 198 I HN 0.169 nan 8.210 nan 0.000 0.429 199 T N -0.279 114.192 114.554 -0.139 0.000 2.904 199 T HA 0.317 4.667 4.350 -0.000 0.000 0.290 199 T C -0.054 174.423 174.700 -0.371 0.000 1.018 199 T CA -0.628 61.215 62.100 -0.428 0.000 1.075 199 T CB 1.134 69.860 68.868 -0.237 0.000 0.986 199 T HN 0.780 nan 8.240 nan 0.000 0.523 200 D N 0.725 120.656 120.400 -0.782 0.000 2.403 200 D HA 0.033 4.673 4.640 -0.000 0.000 0.278 200 D C 1.036 177.254 176.300 -0.138 0.000 1.230 200 D CA -0.932 52.620 54.000 -0.747 0.000 1.062 200 D CB -0.132 40.126 40.800 -0.904 0.000 1.119 200 D HN 0.699 nan 8.370 nan 0.000 0.557 201 W N -0.192 121.021 121.300 -0.146 0.000 2.380 201 W HA -0.160 4.500 4.660 -0.000 0.000 0.317 201 W C 2.247 178.658 176.519 -0.181 0.000 1.196 201 W CA 2.624 59.900 57.345 -0.114 0.000 1.307 201 W CB -0.410 28.937 29.460 -0.188 0.000 1.157 201 W HN 0.177 nan 8.180 nan 0.000 0.483 202 V N -1.405 118.618 119.914 0.181 0.000 2.490 202 V HA -0.327 3.793 4.120 -0.000 0.000 0.250 202 V C 1.750 177.669 176.094 -0.292 0.000 1.061 202 V CA 1.764 64.019 62.300 -0.076 0.000 1.064 202 V CB -1.782 29.948 31.823 -0.155 0.000 0.670 202 V HN 0.295 nan 8.190 nan 0.000 0.461 203 Y N 1.157 121.284 120.300 -0.289 0.000 2.220 203 Y HA -0.115 4.435 4.550 -0.000 0.000 0.291 203 Y C 2.834 178.608 175.900 -0.210 0.000 1.129 203 Y CA 2.059 59.983 58.100 -0.294 0.000 1.161 203 Y CB -0.215 37.962 38.460 -0.471 0.000 0.997 203 Y HN 0.311 nan 8.280 nan 0.000 0.522 204 E N 0.351 120.502 120.200 -0.081 0.000 2.049 204 E HA -0.332 4.018 4.350 -0.000 0.000 0.198 204 E C 2.068 178.571 176.600 -0.162 0.000 1.007 204 E CA 1.825 58.175 56.400 -0.083 0.000 0.809 204 E CB -0.064 29.584 29.700 -0.086 0.000 0.749 204 E HN 0.324 nan 8.360 nan 0.000 0.450 205 E N 0.126 120.074 120.200 -0.420 0.000 2.046 205 E HA -0.144 4.206 4.350 -0.000 0.000 0.190 205 E C 1.494 177.969 176.600 -0.208 0.000 0.982 205 E CA 1.525 57.665 56.400 -0.433 0.000 0.800 205 E CB 0.154 29.265 29.700 -0.981 0.000 0.756 205 E HN 0.258 nan 8.360 nan 0.000 0.449 206 E N -1.059 118.998 120.200 -0.238 0.000 2.511 206 E HA 0.139 4.489 4.350 -0.000 0.000 0.209 206 E C 1.276 177.738 176.600 -0.230 0.000 0.986 206 E CA 0.187 56.491 56.400 -0.160 0.000 0.974 206 E CB 1.321 30.923 29.700 -0.164 0.000 1.030 206 E HN 0.164 nan 8.360 nan 0.000 0.490 207 V N -0.867 118.870 119.914 -0.296 0.000 3.278 207 V HA 0.078 4.198 4.120 -0.000 0.000 0.215 207 V C 1.201 177.080 176.094 -0.358 0.000 1.287 207 V CA 0.336 62.382 62.300 -0.424 0.000 1.302 207 V CB -0.223 31.199 31.823 -0.667 0.000 1.228 207 V HN -0.004 nan 8.190 nan 0.000 0.523 208 F N 1.169 121.121 119.950 0.004 0.000 2.776 208 F HA 0.267 4.794 4.527 -0.000 0.000 0.300 208 F C 1.521 177.242 175.800 -0.131 0.000 1.116 208 F CA 0.237 58.238 58.000 0.000 0.000 1.375 208 F CB -0.510 38.526 39.000 0.059 0.000 1.109 208 F HN 0.071 nan 8.300 nan 0.000 0.585 209 S N 0.771 116.424 115.700 -0.079 0.000 3.427 209 S HA 0.016 4.486 4.470 -0.000 0.000 0.373 209 S C 0.103 174.135 174.600 -0.947 0.000 0.973 209 S CA 0.417 58.376 58.200 -0.402 0.000 1.218 209 S CB -1.793 61.304 63.200 -0.173 0.000 0.912 209 S HN 0.662 nan 8.310 nan 0.000 0.483 210 A N -0.254 122.216 122.820 -0.582 0.000 2.582 210 A HA 0.628 4.948 4.320 -0.000 0.000 0.297 210 A C -0.267 177.222 177.584 -0.159 0.000 1.059 210 A CA -0.565 51.246 52.037 -0.377 0.000 0.705 210 A CB 0.343 19.181 19.000 -0.270 0.000 1.279 210 A HN 0.297 nan 8.150 nan 0.000 0.404 211 Y N 2.052 122.149 120.300 -0.339 0.000 2.314 211 Y HA 0.153 4.703 4.550 -0.000 0.000 0.294 211 Y C 1.665 177.258 175.900 -0.510 0.000 1.119 211 Y CA 1.160 59.079 58.100 -0.302 0.000 1.179 211 Y CB -0.034 38.289 38.460 -0.228 0.000 1.025 211 Y HN 0.801 nan 8.280 nan 0.000 0.541 212 S N 0.810 115.953 115.700 -0.928 0.000 2.549 212 S HA 0.397 4.867 4.470 -0.000 0.000 0.286 212 S C 0.194 174.242 174.600 -0.920 0.000 1.314 212 S CA 0.083 57.513 58.200 -1.284 0.000 1.062 212 S CB 0.512 62.563 63.200 -1.915 0.000 0.865 212 S HN 0.445 nan 8.310 nan 0.000 0.498 213 A N 5.177 127.492 122.820 -0.842 0.000 3.129 213 A HA 0.565 4.885 4.320 -0.000 0.000 0.282 213 A C -0.943 176.003 177.584 -1.064 0.000 0.948 213 A CA -0.481 50.950 52.037 -1.010 0.000 1.027 213 A CB -0.060 18.767 19.000 -0.288 0.000 1.123 213 A HN 0.614 nan 8.150 nan 0.000 0.485 214 L N 0.299 120.817 121.223 -1.175 0.000 2.362 214 L HA 0.715 5.055 4.340 -0.000 0.000 0.271 214 L C -1.207 175.222 176.870 -0.736 0.000 1.002 214 L CA -0.818 53.633 54.840 -0.650 0.000 0.818 214 L CB 1.279 43.145 42.059 -0.322 0.000 1.298 214 L HN 0.477 nan 8.230 nan 0.000 0.420 215 W N 3.200 124.532 121.300 0.052 0.000 2.728 215 W HA 0.180 4.840 4.660 -0.000 0.000 0.324 215 W C -1.045 175.667 176.519 0.321 0.000 1.012 215 W CA -1.080 56.410 57.345 0.242 0.000 1.279 215 W CB 1.083 30.744 29.460 0.335 0.000 1.289 215 W HN 0.508 nan 8.180 nan 0.000 0.418 216 W N 2.259 123.766 121.300 0.345 0.000 2.170 216 W HA 0.220 4.880 4.660 -0.000 0.000 0.336 216 W C 1.379 177.729 176.519 -0.282 0.000 1.283 216 W CA 0.422 57.834 57.345 0.111 0.000 1.224 216 W CB 0.837 30.333 29.460 0.061 0.000 1.132 216 W HN 0.206 nan 8.180 nan 0.000 0.571 217 S N 2.891 118.317 115.700 -0.457 0.000 2.584 217 S HA 0.134 4.604 4.470 -0.000 0.000 0.270 217 S C -1.582 172.750 174.600 -0.445 0.000 1.346 217 S CA -0.944 56.438 58.200 -1.363 0.000 1.018 217 S CB 1.114 63.580 63.200 -1.223 0.000 0.899 217 S HN 0.296 nan 8.310 nan 0.000 0.542 218 P HA 0.035 nan 4.420 nan 0.000 0.223 218 P C 0.882 178.141 177.300 -0.069 0.000 1.151 218 P CA 0.737 63.790 63.100 -0.077 0.000 0.787 218 P CB -0.047 31.659 31.700 0.010 0.000 0.788 219 N N -0.812 117.832 118.700 -0.093 0.000 2.354 219 N HA -0.015 4.725 4.740 -0.000 0.000 0.179 219 N C 1.454 176.888 175.510 -0.127 0.000 1.021 219 N CA 1.460 54.462 53.050 -0.080 0.000 0.887 219 N CB -0.617 37.833 38.487 -0.061 0.000 0.974 219 N HN 0.122 nan 8.380 nan 0.000 0.437 220 G N -1.557 107.163 108.800 -0.133 0.000 2.179 220 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.260 220 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.260 220 G C 1.135 176.009 174.900 -0.043 0.000 0.977 220 G CA 1.066 46.038 45.100 -0.212 0.000 0.641 220 G HN 0.378 nan 8.290 nan 0.000 0.533 221 T N 0.047 114.557 114.554 -0.073 0.000 2.698 221 T HA 0.239 4.589 4.350 -0.000 0.000 0.260 221 T C 0.845 175.421 174.700 -0.207 0.000 1.044 221 T CA 1.179 63.146 62.100 -0.221 0.000 1.149 221 T CB -0.074 68.542 68.868 -0.419 0.000 0.864 221 T HN 0.260 nan 8.240 nan 0.000 0.419 222 F N 0.981 120.974 119.950 0.072 0.000 2.404 222 F HA 0.488 5.015 4.527 -0.000 0.000 0.339 222 F C 0.047 175.942 175.800 0.158 0.000 1.105 222 F CA -1.093 56.988 58.000 0.134 0.000 1.087 222 F CB 0.859 39.991 39.000 0.221 0.000 1.143 222 F HN -0.016 nan 8.300 nan 0.000 0.491 223 L N 3.994 125.355 121.223 0.229 0.000 2.277 223 L HA 0.643 4.983 4.340 -0.000 0.000 0.284 223 L C -0.333 176.611 176.870 0.123 0.000 1.028 223 L CA -0.471 54.322 54.840 -0.078 0.000 0.835 223 L CB 0.457 42.230 42.059 -0.477 0.000 1.215 223 L HN 0.799 nan 8.230 nan 0.000 0.425 224 A N 5.298 128.272 122.820 0.256 0.000 2.302 224 A HA 0.611 4.931 4.320 -0.000 0.000 0.285 224 A C -1.143 176.521 177.584 0.135 0.000 1.105 224 A CA -0.202 51.855 52.037 0.034 0.000 0.816 224 A CB 0.628 19.695 19.000 0.112 0.000 1.067 224 A HN 0.760 nan 8.150 nan 0.000 0.489 225 Y N -2.009 118.139 120.300 -0.254 0.000 2.592 225 Y HA 0.696 5.246 4.550 -0.000 0.000 0.334 225 Y C -0.311 175.533 175.900 -0.093 0.000 1.136 225 Y CA -0.829 57.235 58.100 -0.059 0.000 1.042 225 Y CB 0.728 39.106 38.460 -0.137 0.000 1.325 225 Y HN 0.908 nan 8.280 nan 0.000 0.457 226 A N 2.667 125.676 122.820 0.315 0.000 2.295 226 A HA 0.669 4.989 4.320 -0.000 0.000 0.318 226 A C -0.941 176.597 177.584 -0.077 0.000 1.134 226 A CA -0.754 51.306 52.037 0.038 0.000 0.827 226 A CB 1.547 20.502 19.000 -0.074 0.000 1.136 226 A HN 0.804 nan 8.150 nan 0.000 0.493 227 Q N 0.677 120.303 119.800 -0.290 0.000 2.323 227 Q HA 0.595 4.935 4.340 -0.000 0.000 0.271 227 Q C -2.076 173.690 176.000 -0.389 0.000 1.048 227 Q CA -0.332 55.396 55.803 -0.125 0.000 0.792 227 Q CB 1.287 30.182 28.738 0.261 0.000 1.280 227 Q HN 0.628 nan 8.270 nan 0.000 0.441 228 F N 1.926 121.985 119.950 0.183 0.000 2.522 228 F HA 0.477 5.004 4.527 -0.000 0.000 0.324 228 F C 0.368 176.328 175.800 0.266 0.000 1.077 228 F CA -0.924 57.165 58.000 0.149 0.000 0.944 228 F CB 1.539 40.545 39.000 0.011 0.000 1.175 228 F HN 0.389 nan 8.300 nan 0.000 0.468 229 N N 1.346 120.280 118.700 0.391 0.000 2.448 229 N HA 0.236 4.976 4.740 -0.000 0.000 0.279 229 N C -1.191 174.500 175.510 0.303 0.000 1.025 229 N CA -0.349 52.886 53.050 0.309 0.000 0.898 229 N CB 1.380 39.992 38.487 0.207 0.000 1.303 229 N HN 0.611 nan 8.380 nan 0.000 0.495 230 D N 1.305 121.901 120.400 0.327 0.000 2.462 230 D HA 0.171 4.811 4.640 -0.000 0.000 0.221 230 D C 1.104 177.525 176.300 0.202 0.000 1.173 230 D CA 0.116 54.288 54.000 0.286 0.000 0.831 230 D CB 0.676 41.713 40.800 0.396 0.000 1.001 230 D HN 0.478 nan 8.370 nan 0.000 0.499 231 T N 0.265 114.919 114.554 0.166 0.000 2.653 231 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 231 T C 1.318 176.078 174.700 0.100 0.000 1.035 231 T CA 1.350 63.521 62.100 0.118 0.000 1.154 231 T CB -0.043 68.883 68.868 0.098 0.000 0.862 231 T HN 0.304 nan 8.240 nan 0.000 0.441 232 E N 0.283 120.542 120.200 0.098 0.000 2.476 232 E HA 0.170 4.520 4.350 -0.000 0.000 0.196 232 E C -0.362 176.286 176.600 0.081 0.000 1.029 232 E CA -0.229 56.218 56.400 0.078 0.000 0.896 232 E CB 0.582 30.322 29.700 0.065 0.000 1.012 232 E HN 0.195 nan 8.360 nan 0.000 0.475 233 V N 4.166 124.141 119.914 0.103 0.000 2.446 233 V HA 0.057 4.177 4.120 -0.000 0.000 0.276 233 V C -1.992 174.157 176.094 0.091 0.000 1.030 233 V CA -1.367 60.995 62.300 0.104 0.000 1.033 233 V CB -0.078 31.823 31.823 0.131 0.000 0.993 233 V HN 0.042 nan 8.190 nan 0.000 0.477 234 P HA 0.126 nan 4.420 nan 0.000 0.267 234 P C -0.663 176.672 177.300 0.059 0.000 1.201 234 P CA 0.026 63.162 63.100 0.060 0.000 0.775 234 P CB 0.407 32.143 31.700 0.059 0.000 0.854 235 L N 2.936 124.173 121.223 0.024 0.000 2.295 235 L HA 0.438 4.778 4.340 -0.000 0.000 0.285 235 L C 0.556 177.382 176.870 -0.075 0.000 1.035 235 L CA -0.702 54.135 54.840 -0.005 0.000 0.806 235 L CB 0.996 43.048 42.059 -0.011 0.000 1.214 235 L HN 0.327 nan 8.230 nan 0.000 0.426 236 I N 3.169 123.648 120.570 -0.151 0.000 2.428 236 I HA 0.258 4.428 4.170 -0.000 0.000 0.289 236 I C -0.259 175.718 176.117 -0.232 0.000 1.019 236 I CA 0.079 61.193 61.300 -0.310 0.000 1.351 236 I CB 1.137 38.679 38.000 -0.763 0.000 1.412 236 I HN 0.771 nan 8.210 nan 0.000 0.513 237 E N 7.639 127.724 120.200 -0.191 0.000 2.238 237 E HA 0.514 4.864 4.350 -0.000 0.000 0.267 237 E C -1.780 174.766 176.600 -0.091 0.000 0.887 237 E CA -0.562 55.728 56.400 -0.184 0.000 0.769 237 E CB 2.519 32.136 29.700 -0.138 0.000 1.187 237 E HN 0.541 nan 8.360 nan 0.000 0.416 238 Y N -2.184 118.037 120.300 -0.131 0.000 2.624 238 Y HA 0.458 5.008 4.550 -0.000 0.000 0.334 238 Y C -0.904 174.931 175.900 -0.108 0.000 1.155 238 Y CA -1.266 56.764 58.100 -0.117 0.000 1.046 238 Y CB 0.709 39.107 38.460 -0.104 0.000 1.316 238 Y HN 0.236 nan 8.280 nan 0.000 0.457 239 S N 2.086 117.795 115.700 0.015 0.000 2.549 239 S HA 0.400 4.870 4.470 -0.000 0.000 0.279 239 S C -1.271 173.221 174.600 -0.179 0.000 1.321 239 S CA -0.266 57.780 58.200 -0.257 0.000 1.054 239 S CB 0.207 63.058 63.200 -0.582 0.000 0.899 239 S HN 0.517 nan 8.310 nan 0.000 0.497 240 F N 2.719 122.428 119.950 -0.401 0.000 2.477 240 F HA 0.435 4.962 4.527 -0.000 0.000 0.335 240 F C -0.161 175.428 175.800 -0.352 0.000 1.130 240 F CA -0.919 56.931 58.000 -0.249 0.000 0.948 240 F CB 0.760 39.733 39.000 -0.045 0.000 1.154 240 F HN 0.637 nan 8.300 nan 0.000 0.439 241 Y N 2.782 122.866 120.300 -0.360 0.000 2.397 241 Y HA 0.025 4.575 4.550 -0.000 0.000 0.292 241 Y C 1.819 177.618 175.900 -0.168 0.000 1.115 241 Y CA 0.899 58.873 58.100 -0.210 0.000 1.208 241 Y CB -0.752 37.586 38.460 -0.204 0.000 1.046 241 Y HN 0.720 nan 8.280 nan 0.000 0.552 242 S N -0.042 115.500 115.700 -0.264 0.000 2.962 242 S HA -0.289 4.181 4.470 -0.000 0.000 0.632 242 S C -0.313 174.309 174.600 0.036 0.000 3.058 242 S CA 0.260 58.443 58.200 -0.029 0.000 3.371 242 S CB -1.353 62.029 63.200 0.303 0.000 0.324 242 S HN 0.387 nan 8.310 nan 0.000 1.722 243 D N 1.636 122.087 120.400 0.085 0.000 2.515 243 D HA 0.177 4.817 4.640 -0.000 0.000 0.232 243 D C 1.489 177.820 176.300 0.052 0.000 1.157 243 D CA 0.774 54.812 54.000 0.063 0.000 0.871 243 D CB 0.034 40.877 40.800 0.071 0.000 1.200 243 D HN 0.632 nan 8.370 nan 0.000 0.466 244 E N 0.388 120.609 120.200 0.034 0.000 2.169 244 E HA -0.265 4.085 4.350 -0.000 0.000 0.202 244 E C 1.682 178.301 176.600 0.032 0.000 1.016 244 E CA 1.712 58.127 56.400 0.025 0.000 0.817 244 E CB 0.074 29.783 29.700 0.015 0.000 0.736 244 E HN 0.511 nan 8.360 nan 0.000 0.462 245 S N 0.080 115.804 115.700 0.040 0.000 2.507 245 S HA -0.087 4.383 4.470 -0.000 0.000 0.235 245 S C 1.011 175.646 174.600 0.059 0.000 0.988 245 S CA 0.122 58.348 58.200 0.044 0.000 0.944 245 S CB -0.087 63.139 63.200 0.043 0.000 0.762 245 S HN 0.188 nan 8.310 nan 0.000 0.526 246 L N 2.332 123.597 121.223 0.070 0.000 2.407 246 L HA 0.164 4.503 4.340 -0.000 0.000 0.282 246 L C 1.595 178.521 176.870 0.093 0.000 1.110 246 L CA -0.055 54.840 54.840 0.092 0.000 0.863 246 L CB 0.808 42.931 42.059 0.106 0.000 1.207 246 L HN 0.429 nan 8.230 nan 0.000 0.454 247 Q N 3.858 123.731 119.800 0.121 0.000 2.079 247 Q HA -0.118 4.222 4.340 -0.000 0.000 0.200 247 Q C -0.578 175.436 176.000 0.023 0.000 0.974 247 Q CA 1.465 57.323 55.803 0.091 0.000 0.840 247 Q CB 0.224 29.071 28.738 0.183 0.000 0.898 247 Q HN 0.558 nan 8.270 nan 0.000 0.430 248 Y N 0.338 120.650 120.300 0.020 0.000 2.352 248 Y HA 0.372 4.922 4.550 -0.000 0.000 0.339 248 Y C -2.065 173.840 175.900 0.007 0.000 0.992 248 Y CA -3.058 55.049 58.100 0.012 0.000 1.100 248 Y CB 1.289 39.749 38.460 0.000 0.000 1.192 248 Y HN 0.110 nan 8.280 nan 0.000 0.458 249 P HA 0.011 nan 4.420 nan 0.000 0.266 249 P C -0.483 176.813 177.300 -0.006 0.000 1.195 249 P CA -0.219 62.877 63.100 -0.007 0.000 0.768 249 P CB 0.674 32.301 31.700 -0.122 0.000 0.838 250 K N 1.612 122.002 120.400 -0.017 0.000 2.218 250 K HA 0.248 4.568 4.320 -0.000 0.000 0.276 250 K C -0.314 176.236 176.600 -0.083 0.000 1.022 250 K CA -0.087 56.191 56.287 -0.015 0.000 0.946 250 K CB 0.477 32.999 32.500 0.038 0.000 1.000 250 K HN 0.384 nan 8.250 nan 0.000 0.468 251 T N 2.829 117.323 114.554 -0.100 0.000 2.733 251 T HA 0.188 4.538 4.350 -0.000 0.000 0.294 251 T C -0.306 174.265 174.700 -0.216 0.000 0.956 251 T CA -0.604 61.401 62.100 -0.159 0.000 0.987 251 T CB 0.909 69.702 68.868 -0.125 0.000 0.920 251 T HN 0.188 nan 8.240 nan 0.000 0.470 252 V N 5.731 125.414 119.914 -0.386 0.000 2.461 252 V HA 0.357 4.477 4.120 -0.000 0.000 0.275 252 V C 0.521 176.350 176.094 -0.442 0.000 1.047 252 V CA -0.435 61.583 62.300 -0.469 0.000 0.955 252 V CB 0.547 31.904 31.823 -0.776 0.000 0.988 252 V HN 0.706 nan 8.190 nan 0.000 0.471 253 R N 3.757 124.129 120.500 -0.214 0.000 2.360 253 R HA 0.703 5.043 4.340 -0.000 0.000 0.318 253 R C -1.521 174.765 176.300 -0.024 0.000 0.950 253 R CA -0.502 55.519 56.100 -0.131 0.000 0.837 253 R CB 2.028 32.279 30.300 -0.081 0.000 1.165 253 R HN 0.538 nan 8.270 nan 0.000 0.458 254 V N 4.348 124.247 119.914 -0.025 0.000 2.525 254 V HA 0.333 4.453 4.120 -0.000 0.000 0.299 254 V C -2.367 173.761 176.094 0.057 0.000 1.034 254 V CA -2.505 59.835 62.300 0.066 0.000 0.863 254 V CB 2.052 33.871 31.823 -0.006 0.000 0.999 254 V HN 0.614 nan 8.190 nan 0.000 0.423 255 P HA 0.197 nan 4.420 nan 0.000 0.266 255 P C -1.264 176.117 177.300 0.136 0.000 1.215 255 P CA 0.259 63.447 63.100 0.147 0.000 0.763 255 P CB -0.082 31.746 31.700 0.212 0.000 0.806 256 Y N 6.012 126.277 120.300 -0.059 0.000 2.294 256 Y HA 0.314 4.864 4.550 0.000 0.000 0.329 256 Y C -2.742 173.123 175.900 -0.059 0.000 1.135 256 Y CA -2.717 55.294 58.100 -0.148 0.000 1.213 256 Y CB 1.578 39.846 38.460 -0.320 0.000 1.141 256 Y HN 0.280 nan 8.280 nan 0.000 0.446 257 P HA 0.219 nan 4.420 nan 0.000 0.279 257 P C -0.626 176.706 177.300 0.053 0.000 1.318 257 P CA -0.007 63.115 63.100 0.036 0.000 0.819 257 P CB 1.004 32.714 31.700 0.017 0.000 0.927 258 K N 2.046 122.564 120.400 0.197 0.000 2.132 258 K HA 0.445 4.765 4.320 -0.000 0.000 0.240 258 K C 0.635 177.336 176.600 0.169 0.000 1.036 258 K CA -0.652 55.779 56.287 0.240 0.000 0.888 258 K CB 0.389 33.057 32.500 0.280 0.000 1.071 258 K HN 0.408 nan 8.250 nan 0.000 0.502 259 A N 0.755 123.706 122.820 0.218 0.000 2.537 259 A HA 0.327 4.647 4.320 -0.000 0.000 0.260 259 A C 1.072 178.704 177.584 0.081 0.000 1.082 259 A CA 0.899 53.057 52.037 0.202 0.000 0.765 259 A CB -1.279 17.943 19.000 0.371 0.000 1.019 259 A HN 0.868 nan 8.150 nan 0.000 0.507 260 G N 0.959 109.789 108.800 0.050 0.000 2.194 260 G HA2 0.147 4.107 3.960 -0.000 0.000 0.236 260 G HA3 0.147 4.107 3.960 -0.000 0.000 0.236 260 G C 0.620 175.533 174.900 0.021 0.000 0.987 260 G CA 0.448 45.548 45.100 -0.001 0.000 0.635 260 G HN 2.040 nan 8.290 nan 0.000 0.520 261 A N -0.283 122.567 122.820 0.050 0.000 2.249 261 A HA 0.770 5.090 4.320 -0.000 0.000 0.281 261 A C 0.881 178.495 177.584 0.050 0.000 1.127 261 A CA 0.298 52.367 52.037 0.053 0.000 0.833 261 A CB 0.614 19.659 19.000 0.075 0.000 1.140 261 A HN 1.143 nan 8.150 nan 0.000 0.502 262 V N 1.744 121.689 119.914 0.052 0.000 2.529 262 V HA 0.002 4.122 4.120 -0.000 0.000 0.292 262 V C 0.658 176.794 176.094 0.071 0.000 1.028 262 V CA 0.364 62.696 62.300 0.053 0.000 1.074 262 V CB -0.152 31.704 31.823 0.054 0.000 0.958 262 V HN 0.870 nan 8.190 nan 0.000 0.481 263 N N 5.911 124.654 118.700 0.071 0.000 2.476 263 N HA 0.447 5.187 4.740 -0.000 0.000 0.275 263 N C -2.442 173.152 175.510 0.140 0.000 1.190 263 N CA -1.291 51.824 53.050 0.108 0.000 0.977 263 N CB 1.271 39.823 38.487 0.108 0.000 1.200 263 N HN 0.464 nan 8.380 nan 0.000 0.515 264 P HA 0.061 nan 4.420 nan 0.000 0.272 264 P C -0.834 176.623 177.300 0.262 0.000 1.240 264 P CA -0.121 63.140 63.100 0.268 0.000 0.791 264 P CB 0.619 32.540 31.700 0.369 0.000 0.978 265 T N -2.248 112.442 114.554 0.227 0.000 2.950 265 T HA 0.595 4.945 4.350 -0.000 0.000 0.288 265 T C -0.355 174.449 174.700 0.174 0.000 1.035 265 T CA -0.872 61.311 62.100 0.138 0.000 1.028 265 T CB 1.518 70.435 68.868 0.081 0.000 1.109 265 T HN 0.342 nan 8.240 nan 0.000 0.514 266 V N 0.612 120.592 119.914 0.109 0.000 2.914 266 V HA 0.782 4.902 4.120 -0.000 0.000 0.314 266 V C -1.584 174.548 176.094 0.062 0.000 1.084 266 V CA -0.866 61.458 62.300 0.040 0.000 0.963 266 V CB 1.881 33.742 31.823 0.064 0.000 1.025 266 V HN 1.007 nan 8.190 nan 0.000 0.432 267 K N 4.536 124.902 120.400 -0.056 0.000 2.426 267 K HA 0.499 4.819 4.320 -0.000 0.000 0.251 267 K C -1.695 174.742 176.600 -0.272 0.000 0.941 267 K CA -0.409 55.785 56.287 -0.155 0.000 0.808 267 K CB 2.803 35.159 32.500 -0.241 0.000 1.265 267 K HN 0.596 nan 8.250 nan 0.000 0.432 268 F N 1.619 121.233 119.950 -0.559 0.000 2.492 268 F HA 0.608 5.135 4.527 -0.000 0.000 0.327 268 F C -1.248 173.984 175.800 -0.947 0.000 1.079 268 F CA -0.891 56.763 58.000 -0.576 0.000 0.967 268 F CB 0.873 39.686 39.000 -0.312 0.000 1.169 268 F HN 0.385 nan 8.300 nan 0.000 0.472 269 F N 3.198 122.393 119.950 -1.258 0.000 2.601 269 F HA 0.684 5.211 4.527 -0.000 0.000 0.309 269 F C -1.120 173.953 175.800 -1.212 0.000 1.089 269 F CA -1.189 56.144 58.000 -1.112 0.000 0.940 269 F CB 2.100 40.279 39.000 -1.368 0.000 1.273 269 F HN 0.160 nan 8.300 nan 0.000 0.450 270 V N 2.952 122.590 119.914 -0.460 0.000 2.623 270 V HA 0.676 4.796 4.120 -0.000 0.000 0.304 270 V C -0.944 175.211 176.094 0.101 0.000 1.054 270 V CA -0.830 61.313 62.300 -0.262 0.000 0.882 270 V CB 1.823 33.328 31.823 -0.530 0.000 1.002 270 V HN 0.541 nan 8.190 nan 0.000 0.424 271 V N 2.892 122.931 119.914 0.207 0.000 2.628 271 V HA 0.501 4.621 4.120 -0.000 0.000 0.306 271 V C 0.006 176.283 176.094 0.305 0.000 1.045 271 V CA -0.828 61.617 62.300 0.242 0.000 0.905 271 V CB 2.150 34.069 31.823 0.159 0.000 0.997 271 V HN 0.858 nan 8.190 nan 0.000 0.436 272 N N 1.999 120.836 118.700 0.228 0.000 2.415 272 N HA 0.129 4.869 4.740 -0.000 0.000 0.246 272 N C 0.852 176.330 175.510 -0.054 0.000 1.078 272 N CA 0.162 53.222 53.050 0.018 0.000 0.942 272 N CB 1.607 40.088 38.487 -0.010 0.000 1.140 272 N HN 0.730 nan 8.380 nan 0.000 0.501 273 T N 1.831 116.347 114.554 -0.063 0.000 3.072 273 T HA -0.025 4.325 4.350 -0.000 0.000 0.266 273 T C 0.620 175.269 174.700 -0.085 0.000 1.127 273 T CA 0.722 62.818 62.100 -0.007 0.000 1.107 273 T CB 0.155 69.152 68.868 0.214 0.000 0.910 273 T HN 0.464 nan 8.240 nan 0.000 0.513 274 D N 0.957 121.276 120.400 -0.134 0.000 2.289 274 D HA 0.032 4.672 4.640 -0.000 0.000 0.207 274 D C 1.674 177.906 176.300 -0.113 0.000 0.966 274 D CA 0.573 54.498 54.000 -0.125 0.000 0.868 274 D CB 0.108 40.821 40.800 -0.146 0.000 0.943 274 D HN 0.462 nan 8.370 nan 0.000 0.514 275 S N -0.239 115.394 115.700 -0.112 0.000 2.588 275 S HA 0.270 4.740 4.470 -0.000 0.000 0.245 275 S C 0.488 175.020 174.600 -0.113 0.000 1.021 275 S CA -0.545 57.605 58.200 -0.082 0.000 1.006 275 S CB -0.320 62.862 63.200 -0.030 0.000 0.830 275 S HN -0.017 nan 8.310 nan 0.000 0.468 276 L N 2.061 123.137 121.223 -0.244 0.000 2.380 276 L HA 0.448 4.788 4.340 -0.000 0.000 0.273 276 L C 0.589 177.317 176.870 -0.237 0.000 1.138 276 L CA -0.158 54.464 54.840 -0.364 0.000 0.832 276 L CB 1.134 42.663 42.059 -0.883 0.000 1.124 276 L HN 0.246 nan 8.230 nan 0.000 0.454 277 S N 0.027 115.722 115.700 -0.010 0.000 2.501 277 S HA 0.298 4.768 4.470 -0.000 0.000 0.301 277 S C 0.951 175.738 174.600 0.312 0.000 1.096 277 S CA -0.571 57.714 58.200 0.141 0.000 1.063 277 S CB 1.589 64.845 63.200 0.093 0.000 1.042 277 S HN 0.687 nan 8.310 nan 0.000 0.494 278 S N 2.623 118.510 115.700 0.312 0.000 2.428 278 S HA -0.059 4.411 4.470 -0.000 0.000 0.230 278 S C 1.221 175.911 174.600 0.150 0.000 1.014 278 S CA 1.014 59.351 58.200 0.228 0.000 0.957 278 S CB -0.468 62.800 63.200 0.114 0.000 0.784 278 S HN 1.043 nan 8.310 nan 0.000 0.499 279 V N -1.657 118.334 119.914 0.127 0.000 3.159 279 V HA 0.426 4.546 4.120 -0.000 0.000 0.333 279 V C -0.236 175.907 176.094 0.082 0.000 1.424 279 V CA -0.471 61.885 62.300 0.094 0.000 1.125 279 V CB -0.267 31.594 31.823 0.064 0.000 1.075 279 V HN 0.212 nan 8.190 nan 0.000 0.482 280 T N 2.100 116.715 114.554 0.101 0.000 2.812 280 T HA 0.466 4.816 4.350 -0.000 0.000 0.282 280 T C -0.281 174.487 174.700 0.113 0.000 0.990 280 T CA -0.328 61.820 62.100 0.081 0.000 0.960 280 T CB 1.370 70.276 68.868 0.063 0.000 0.948 280 T HN 0.298 nan 8.240 nan 0.000 0.438 281 N N 2.102 120.860 118.700 0.096 0.000 2.454 281 N HA 0.339 5.079 4.740 -0.000 0.000 0.254 281 N C 0.215 175.796 175.510 0.120 0.000 1.228 281 N CA -0.101 53.037 53.050 0.146 0.000 0.900 281 N CB 0.364 38.903 38.487 0.087 0.000 1.089 281 N HN 0.842 nan 8.380 nan 0.000 0.449 282 A N 1.521 124.423 122.820 0.138 0.000 2.462 282 A HA 0.241 4.561 4.320 -0.000 0.000 0.243 282 A C 0.117 177.743 177.584 0.070 0.000 1.076 282 A CA -0.011 52.073 52.037 0.079 0.000 0.773 282 A CB -0.029 18.999 19.000 0.047 0.000 1.010 282 A HN 0.558 nan 8.150 nan 0.000 0.493 283 T N 2.861 117.456 114.554 0.069 0.000 2.738 283 T HA 0.359 4.709 4.350 -0.000 0.000 0.298 283 T C 0.114 174.874 174.700 0.100 0.000 0.962 283 T CA 0.061 62.210 62.100 0.081 0.000 0.972 283 T CB 0.381 69.307 68.868 0.096 0.000 0.928 283 T HN 0.512 nan 8.240 nan 0.000 0.474 284 S N 3.574 119.312 115.700 0.063 0.000 2.430 284 S HA 0.406 4.876 4.470 -0.000 0.000 0.289 284 S C 0.245 174.937 174.600 0.153 0.000 1.143 284 S CA -0.659 57.578 58.200 0.061 0.000 1.067 284 S CB 0.099 63.216 63.200 -0.139 0.000 0.964 284 S HN 0.505 nan 8.310 nan 0.000 0.485 285 I N 3.306 124.012 120.570 0.226 0.000 2.342 285 I HA 0.217 4.387 4.170 -0.000 0.000 0.291 285 I C 0.577 176.846 176.117 0.253 0.000 1.010 285 I CA -0.036 61.428 61.300 0.274 0.000 1.308 285 I CB 0.937 39.168 38.000 0.385 0.000 1.400 285 I HN 0.558 nan 8.210 nan 0.000 0.488 286 Q N 6.193 126.149 119.800 0.259 0.000 2.299 286 Q HA 0.520 4.860 4.340 -0.000 0.000 0.246 286 Q C -1.055 174.932 176.000 -0.022 0.000 0.935 286 Q CA -0.434 55.383 55.803 0.023 0.000 0.887 286 Q CB 1.089 29.831 28.738 0.006 0.000 1.223 286 Q HN 0.569 nan 8.270 nan 0.000 0.439 287 I N 2.911 123.422 120.570 -0.098 0.000 2.382 287 I HA 0.200 4.370 4.170 -0.000 0.000 0.286 287 I C -0.303 175.818 176.117 0.006 0.000 1.002 287 I CA -0.560 60.753 61.300 0.022 0.000 1.135 287 I CB 2.018 40.085 38.000 0.111 0.000 1.288 287 I HN 0.575 nan 8.210 nan 0.000 0.448 288 T N 5.744 120.272 114.554 -0.043 0.000 2.832 288 T HA 0.376 4.726 4.350 -0.000 0.000 0.296 288 T C 0.519 175.048 174.700 -0.285 0.000 0.968 288 T CA -0.329 61.687 62.100 -0.140 0.000 1.107 288 T CB 0.981 69.777 68.868 -0.119 0.000 0.916 288 T HN 0.687 nan 8.240 nan 0.000 0.517 289 A N 6.021 128.465 122.820 -0.627 0.000 2.547 289 A HA 0.337 4.657 4.320 -0.000 0.000 0.233 289 A C -2.098 175.038 177.584 -0.747 0.000 1.067 289 A CA -0.919 50.347 52.037 -1.285 0.000 0.763 289 A CB -0.520 17.403 19.000 -1.794 0.000 1.007 289 A HN 0.521 nan 8.150 nan 0.000 0.506 290 P HA 0.172 nan 4.420 nan 0.000 0.266 290 P C 0.742 177.834 177.300 -0.346 0.000 1.195 290 P CA 0.716 63.588 63.100 -0.381 0.000 0.768 290 P CB 0.675 32.209 31.700 -0.278 0.000 0.838 291 A N 2.881 125.566 122.820 -0.226 0.000 2.024 291 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 291 A C 2.031 179.513 177.584 -0.170 0.000 1.164 291 A CA 2.202 54.128 52.037 -0.186 0.000 0.643 291 A CB -1.560 17.364 19.000 -0.126 0.000 0.806 291 A HN 0.607 nan 8.150 nan 0.000 0.451 292 S N -1.730 113.889 115.700 -0.136 0.000 2.603 292 S HA 0.019 4.489 4.470 -0.000 0.000 0.229 292 S C 1.562 176.091 174.600 -0.118 0.000 0.972 292 S CA 1.171 59.315 58.200 -0.095 0.000 0.935 292 S CB -0.219 62.991 63.200 0.017 0.000 0.769 292 S HN 0.395 nan 8.310 nan 0.000 0.536 293 M N 0.398 119.851 119.600 -0.246 0.000 2.730 293 M HA 0.390 4.870 4.480 -0.000 0.000 0.258 293 M C 1.852 177.856 176.300 -0.493 0.000 1.279 293 M CA 0.541 55.622 55.300 -0.365 0.000 1.183 293 M CB -1.070 31.182 32.600 -0.580 0.000 1.291 293 M HN 0.312 nan 8.290 nan 0.000 0.518 294 L N 1.047 121.978 121.223 -0.485 0.000 2.353 294 L HA -0.134 4.206 4.340 -0.000 0.000 0.220 294 L C 2.418 179.194 176.870 -0.157 0.000 1.133 294 L CA 0.541 55.173 54.840 -0.347 0.000 0.798 294 L CB -0.692 41.198 42.059 -0.281 0.000 0.922 294 L HN 0.313 nan 8.230 nan 0.000 0.445 295 I N -0.942 119.542 120.570 -0.144 0.000 2.423 295 I HA -0.097 4.073 4.170 -0.000 0.000 0.254 295 I C 0.993 177.080 176.117 -0.049 0.000 1.151 295 I CA 1.473 62.719 61.300 -0.089 0.000 1.421 295 I CB -0.148 37.792 38.000 -0.099 0.000 1.079 295 I HN 0.174 nan 8.210 nan 0.000 0.431 296 G N -0.083 108.703 108.800 -0.024 0.000 2.815 296 G HA2 0.244 4.204 3.960 -0.000 0.000 0.305 296 G HA3 0.244 4.204 3.960 -0.000 0.000 0.305 296 G C -1.748 173.215 174.900 0.105 0.000 1.277 296 G CA -0.510 44.599 45.100 0.016 0.000 0.795 296 G HN 0.112 nan 8.290 nan 0.000 0.528 297 D N 0.805 121.227 120.400 0.036 0.000 2.443 297 D HA 0.481 5.121 4.640 -0.000 0.000 0.239 297 D C 0.210 176.490 176.300 -0.035 0.000 1.136 297 D CA 0.864 54.844 54.000 -0.032 0.000 0.879 297 D CB 0.801 41.535 40.800 -0.110 0.000 1.195 297 D HN 0.613 nan 8.370 nan 0.000 0.443 298 H N -1.496 117.433 119.070 -0.236 0.000 2.990 298 H HA 0.584 5.140 4.556 -0.000 0.000 0.336 298 H C -1.535 173.645 175.328 -0.246 0.000 1.306 298 H CA -0.990 54.915 56.048 -0.238 0.000 1.118 298 H CB 0.525 30.279 29.762 -0.015 0.000 1.856 298 H HN 0.238 nan 8.280 nan 0.000 0.538 299 Y N -0.068 120.431 120.300 0.332 0.000 2.536 299 Y HA 0.380 4.930 4.550 -0.000 0.000 0.347 299 Y C -0.253 175.886 175.900 0.399 0.000 1.000 299 Y CA -1.296 57.009 58.100 0.341 0.000 1.051 299 Y CB 1.714 40.245 38.460 0.118 0.000 1.259 299 Y HN 0.485 nan 8.280 nan 0.000 0.468 300 L N 1.283 122.785 121.223 0.467 0.000 2.397 300 L HA 0.128 4.468 4.340 -0.000 0.000 0.271 300 L C -0.032 176.833 176.870 -0.008 0.000 1.148 300 L CA 0.129 54.907 54.840 -0.105 0.000 0.825 300 L CB 1.015 42.950 42.059 -0.207 0.000 1.117 300 L HN 0.996 nan 8.230 nan 0.000 0.456 301 C N 1.520 120.686 119.300 -0.223 0.000 2.735 301 C HA 0.263 4.723 4.460 -0.000 0.000 0.444 301 C C 0.359 175.226 174.990 -0.205 0.000 1.331 301 C CA -0.220 58.659 59.018 -0.231 0.000 2.225 301 C CB 0.356 28.009 27.740 -0.146 0.000 2.917 301 C HN 0.797 nan 8.230 nan 0.000 0.567 302 D N -0.009 120.259 120.400 -0.219 0.000 2.927 302 D HA 0.392 5.032 4.640 -0.000 0.000 0.219 302 D C -1.842 174.180 176.300 -0.463 0.000 1.248 302 D CA 0.190 54.078 54.000 -0.186 0.000 0.861 302 D CB 2.413 43.096 40.800 -0.196 0.000 1.677 302 D HN 0.010 nan 8.370 nan 0.000 0.511 303 V N 2.884 122.463 119.914 -0.558 0.000 2.409 303 V HA 0.450 4.570 4.120 -0.000 0.000 0.290 303 V C -0.381 175.332 176.094 -0.635 0.000 1.017 303 V CA -0.365 61.348 62.300 -0.979 0.000 0.841 303 V CB 1.757 32.382 31.823 -1.997 0.000 1.003 303 V HN 0.591 nan 8.190 nan 0.000 0.426 304 T N 3.550 117.820 114.554 -0.473 0.000 2.881 304 T HA 0.384 4.734 4.350 -0.000 0.000 0.291 304 T C -0.689 173.859 174.700 -0.253 0.000 0.990 304 T CA -0.460 61.518 62.100 -0.204 0.000 0.976 304 T CB 0.848 69.674 68.868 -0.070 0.000 0.970 304 T HN 0.514 nan 8.240 nan 0.000 0.438 305 W N 1.895 123.125 121.300 -0.118 0.000 2.181 305 W HA 0.462 5.122 4.660 -0.000 0.000 0.335 305 W C 1.133 177.511 176.519 -0.235 0.000 1.310 305 W CA -0.204 57.064 57.345 -0.129 0.000 1.226 305 W CB 0.555 30.023 29.460 0.013 0.000 1.155 305 W HN 0.843 nan 8.180 nan 0.000 0.565 306 A N 1.643 124.350 122.820 -0.188 0.000 1.938 306 A HA 0.223 4.543 4.320 -0.000 0.000 0.207 306 A C 0.846 178.366 177.584 -0.106 0.000 1.292 306 A CA 1.429 53.108 52.037 -0.596 0.000 0.700 306 A CB -0.423 17.795 19.000 -1.303 0.000 0.947 306 A HN 0.523 nan 8.150 nan 0.000 0.476 307 T N -5.142 109.451 114.554 0.066 0.000 2.669 307 T HA 0.343 4.693 4.350 -0.000 0.000 0.283 307 T C 0.252 175.106 174.700 0.256 0.000 1.019 307 T CA -0.316 61.874 62.100 0.150 0.000 1.039 307 T CB 0.655 69.595 68.868 0.120 0.000 1.374 307 T HN 0.021 nan 8.240 nan 0.000 0.523 308 Q N 0.391 120.312 119.800 0.201 0.000 2.291 308 Q HA -0.027 4.313 4.340 -0.000 0.000 0.206 308 Q C 0.872 177.093 176.000 0.368 0.000 0.976 308 Q CA 1.478 57.408 55.803 0.212 0.000 0.875 308 Q CB -0.116 28.716 28.738 0.157 0.000 0.927 308 Q HN 0.822 nan 8.270 nan 0.000 0.450 309 E N -0.115 120.304 120.200 0.364 0.000 2.758 309 E HA 0.200 4.550 4.350 -0.000 0.000 0.215 309 E C -0.125 176.727 176.600 0.420 0.000 0.985 309 E CA -0.192 56.433 56.400 0.374 0.000 1.102 309 E CB 1.015 30.856 29.700 0.236 0.000 1.042 309 E HN -0.016 nan 8.360 nan 0.000 0.480 310 R N 1.864 122.611 120.500 0.411 0.000 2.532 310 R HA 0.474 4.814 4.340 -0.000 0.000 0.297 310 R C -1.266 175.012 176.300 -0.037 0.000 0.984 310 R CA -0.415 55.803 56.100 0.197 0.000 0.884 310 R CB 0.976 31.295 30.300 0.031 0.000 1.182 310 R HN -0.022 nan 8.270 nan 0.000 0.442 311 I N 1.252 121.641 120.570 -0.303 0.000 2.530 311 I HA 0.404 4.574 4.170 -0.000 0.000 0.297 311 I C -0.180 175.631 176.117 -0.511 0.000 1.011 311 I CA -0.988 59.876 61.300 -0.727 0.000 1.107 311 I CB 2.119 39.411 38.000 -1.180 0.000 1.285 311 I HN 0.412 nan 8.210 nan 0.000 0.436 312 S N 6.183 121.557 115.700 -0.544 0.000 2.437 312 S HA 0.745 5.215 4.470 -0.000 0.000 0.305 312 S C -0.866 173.424 174.600 -0.515 0.000 1.109 312 S CA -0.551 57.418 58.200 -0.386 0.000 1.099 312 S CB 0.532 63.606 63.200 -0.210 0.000 1.004 312 S HN 0.518 nan 8.310 nan 0.000 0.475 313 L N 4.575 125.524 121.223 -0.457 0.000 2.409 313 L HA 0.498 4.838 4.340 -0.000 0.000 0.272 313 L C -0.457 176.135 176.870 -0.463 0.000 0.980 313 L CA -0.616 53.847 54.840 -0.628 0.000 0.826 313 L CB 2.115 43.744 42.059 -0.718 0.000 1.268 313 L HN 0.606 nan 8.230 nan 0.000 0.407 314 Q N 2.034 121.520 119.800 -0.523 0.000 2.282 314 Q HA 0.481 4.821 4.340 -0.000 0.000 0.260 314 Q C -1.638 174.094 176.000 -0.447 0.000 0.964 314 Q CA -0.509 55.098 55.803 -0.326 0.000 0.880 314 Q CB 2.410 31.014 28.738 -0.223 0.000 1.286 314 Q HN 0.406 nan 8.270 nan 0.000 0.445 315 W N 2.130 123.380 121.300 -0.084 0.000 2.864 315 W HA 0.637 5.297 4.660 -0.000 0.000 0.343 315 W C -1.076 175.465 176.519 0.035 0.000 1.109 315 W CA -0.648 56.696 57.345 -0.001 0.000 1.192 315 W CB 1.213 30.662 29.460 -0.019 0.000 1.426 315 W HN 0.390 nan 8.180 nan 0.000 0.529 316 L N 2.031 123.474 121.223 0.367 0.000 2.422 316 L HA 0.605 4.945 4.340 -0.000 0.000 0.264 316 L C -0.401 176.645 176.870 0.293 0.000 0.984 316 L CA -1.205 53.802 54.840 0.278 0.000 0.819 316 L CB 1.710 43.919 42.059 0.251 0.000 1.330 316 L HN 0.410 nan 8.230 nan 0.000 0.410 317 R N 2.315 122.953 120.500 0.231 0.000 2.490 317 R HA 0.322 4.662 4.340 -0.000 0.000 0.278 317 R C 0.977 177.327 176.300 0.083 0.000 1.069 317 R CA -0.391 55.799 56.100 0.151 0.000 1.080 317 R CB 0.983 31.379 30.300 0.161 0.000 1.030 317 R HN 0.691 nan 8.270 nan 0.000 0.491 318 R N 1.754 122.217 120.500 -0.061 0.000 2.117 318 R HA -0.085 4.255 4.340 -0.000 0.000 0.243 318 R C 0.407 176.747 176.300 0.066 0.000 1.143 318 R CA 1.283 57.326 56.100 -0.095 0.000 0.968 318 R CB -0.012 30.199 30.300 -0.148 0.000 0.863 318 R HN 0.504 nan 8.270 nan 0.000 0.444 319 I N 2.302 122.903 120.570 0.051 0.000 2.363 319 I HA -0.010 4.160 4.170 -0.000 0.000 0.292 319 I C 0.341 176.515 176.117 0.094 0.000 1.075 319 I CA 0.289 61.626 61.300 0.061 0.000 1.333 319 I CB 1.364 39.387 38.000 0.039 0.000 1.415 319 I HN 0.226 nan 8.210 nan 0.000 0.502 320 Q N 4.607 124.459 119.800 0.086 0.000 2.404 320 Q HA 0.042 4.382 4.340 -0.000 0.000 0.272 320 Q C 0.712 176.785 176.000 0.121 0.000 0.939 320 Q CA -0.089 55.778 55.803 0.107 0.000 0.945 320 Q CB -0.060 28.704 28.738 0.043 0.000 1.195 320 Q HN 0.543 nan 8.270 nan 0.000 0.415 321 N N -0.304 118.473 118.700 0.127 0.000 2.409 321 N HA -0.028 4.712 4.740 -0.000 0.000 0.174 321 N C -0.942 174.675 175.510 0.179 0.000 1.037 321 N CA 0.601 53.727 53.050 0.128 0.000 0.898 321 N CB 0.538 39.096 38.487 0.118 0.000 1.010 321 N HN 0.281 nan 8.380 nan 0.000 0.445 322 Y N 0.437 120.763 120.300 0.044 0.000 2.354 322 Y HA 0.429 4.979 4.550 -0.000 0.000 0.330 322 Y C -0.908 175.027 175.900 0.058 0.000 1.011 322 Y CA -1.054 57.070 58.100 0.040 0.000 1.099 322 Y CB 1.157 39.631 38.460 0.023 0.000 1.179 322 Y HN -0.078 nan 8.280 nan 0.000 0.442 323 S N 4.356 119.897 115.700 -0.264 0.000 2.569 323 S HA 0.904 5.374 4.470 -0.000 0.000 0.280 323 S C -2.048 172.419 174.600 -0.222 0.000 1.111 323 S CA -0.733 57.394 58.200 -0.123 0.000 0.887 323 S CB 1.863 65.052 63.200 -0.018 0.000 1.095 323 S HN 0.457 nan 8.310 nan 0.000 0.476 324 V N 3.013 122.894 119.914 -0.055 0.000 2.656 324 V HA 0.564 4.684 4.120 -0.000 0.000 0.307 324 V C -0.424 175.692 176.094 0.036 0.000 1.051 324 V CA -0.701 61.579 62.300 -0.033 0.000 0.893 324 V CB 1.858 33.687 31.823 0.010 0.000 0.999 324 V HN 1.040 nan 8.190 nan 0.000 0.426 325 M N 3.742 123.344 119.600 0.004 0.000 2.238 325 M HA 0.561 5.041 4.480 -0.000 0.000 0.350 325 M C -1.250 175.067 176.300 0.028 0.000 1.138 325 M CA -0.174 55.112 55.300 -0.024 0.000 1.040 325 M CB 1.224 33.759 32.600 -0.108 0.000 1.639 325 M HN 0.590 nan 8.290 nan 0.000 0.451 326 D N 4.751 125.160 120.400 0.015 0.000 2.256 326 D HA 0.531 5.171 4.640 -0.000 0.000 0.246 326 D C -1.289 174.992 176.300 -0.032 0.000 1.042 326 D CA -0.099 53.913 54.000 0.020 0.000 0.841 326 D CB 1.591 42.432 40.800 0.069 0.000 1.223 326 D HN 0.597 nan 8.370 nan 0.000 0.470 327 I N 2.580 123.155 120.570 0.010 0.000 2.362 327 I HA 0.316 4.486 4.170 -0.000 0.000 0.289 327 I C -0.613 175.513 176.117 0.015 0.000 0.994 327 I CA -0.404 60.897 61.300 0.002 0.000 1.158 327 I CB 1.287 39.341 38.000 0.090 0.000 1.315 327 I HN 0.249 nan 8.210 nan 0.000 0.451 328 c N 4.202 122.804 118.600 0.002 0.000 2.369 328 c HA 0.514 5.084 4.570 -0.000 0.000 0.322 328 c C -0.469 173.764 174.090 0.239 0.000 1.258 328 c CA -0.977 55.419 56.329 0.112 0.000 1.487 328 c CB 0.848 43.429 42.510 0.120 0.000 2.165 328 c HN 0.596 nan 8.230 nan 0.000 0.483 329 D N 0.647 121.163 120.400 0.194 0.000 2.181 329 D HA 0.251 4.891 4.640 -0.000 0.000 0.248 329 D C -0.668 175.579 176.300 -0.087 0.000 1.020 329 D CA -0.137 53.937 54.000 0.123 0.000 0.891 329 D CB 1.293 42.115 40.800 0.036 0.000 1.187 329 D HN 0.618 nan 8.370 nan 0.000 0.443 330 Y N 1.129 121.069 120.300 -0.600 0.000 2.319 330 Y HA 0.146 4.696 4.550 -0.000 0.000 0.328 330 Y C -0.077 175.516 175.900 -0.512 0.000 1.133 330 Y CA -0.244 57.159 58.100 -1.162 0.000 1.265 330 Y CB 0.824 38.451 38.460 -1.388 0.000 1.218 330 Y HN 0.126 nan 8.280 nan 0.000 0.508 331 D N 5.323 125.068 120.400 -1.092 0.000 2.274 331 D HA 0.026 4.666 4.640 -0.000 0.000 0.239 331 D C 0.831 176.502 176.300 -1.048 0.000 1.104 331 D CA -0.113 53.427 54.000 -0.765 0.000 0.840 331 D CB 1.032 41.541 40.800 -0.486 0.000 1.100 331 D HN 0.871 nan 8.370 nan 0.000 0.477 332 E N 2.348 122.220 120.200 -0.547 0.000 2.208 332 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 332 E C 0.696 177.181 176.600 -0.191 0.000 0.988 332 E CA 0.594 56.825 56.400 -0.283 0.000 0.828 332 E CB 0.187 29.869 29.700 -0.030 0.000 0.763 332 E HN 0.231 nan 8.360 nan 0.000 0.478 333 S N 1.099 116.684 115.700 -0.192 0.000 2.345 333 S HA -0.116 4.354 4.470 -0.000 0.000 0.220 333 S C 2.051 176.582 174.600 -0.115 0.000 1.031 333 S CA 1.739 59.867 58.200 -0.120 0.000 0.996 333 S CB -0.144 62.994 63.200 -0.103 0.000 0.882 333 S HN 0.551 nan 8.310 nan 0.000 0.445 334 S N -0.127 115.473 115.700 -0.167 0.000 2.539 334 S HA 0.408 4.878 4.470 -0.000 0.000 0.221 334 S C 1.288 175.824 174.600 -0.108 0.000 0.987 334 S CA 0.539 58.671 58.200 -0.114 0.000 0.929 334 S CB 0.243 63.385 63.200 -0.097 0.000 0.832 334 S HN 0.740 nan 8.310 nan 0.000 0.492 335 G N 1.249 109.927 108.800 -0.202 0.000 2.296 335 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.282 335 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.282 335 G C 0.077 174.976 174.900 -0.002 0.000 1.014 335 G CA 0.642 45.701 45.100 -0.069 0.000 0.812 335 G HN 0.651 nan 8.290 nan 0.000 0.508 336 R N -2.070 118.299 120.500 -0.219 0.000 2.902 336 R HA 0.730 5.070 4.340 -0.000 0.000 0.258 336 R C -0.800 175.359 176.300 -0.235 0.000 1.071 336 R CA -0.831 55.235 56.100 -0.056 0.000 1.024 336 R CB 0.923 31.214 30.300 -0.016 0.000 1.184 336 R HN 0.198 nan 8.270 nan 0.000 0.492 337 W N 0.509 121.831 121.300 0.036 0.000 2.573 337 W HA 0.483 5.143 4.660 -0.000 0.000 0.326 337 W C -0.388 176.123 176.519 -0.013 0.000 1.049 337 W CA -0.376 56.982 57.345 0.021 0.000 1.220 337 W CB 1.344 30.820 29.460 0.026 0.000 1.373 337 W HN 0.177 nan 8.180 nan 0.000 0.507 338 N N 2.304 121.098 118.700 0.156 0.000 2.448 338 N HA 0.282 5.022 4.740 -0.000 0.000 0.279 338 N C -1.650 173.903 175.510 0.073 0.000 1.025 338 N CA -0.419 52.675 53.050 0.073 0.000 0.898 338 N CB 1.594 40.081 38.487 0.001 0.000 1.303 338 N HN 0.299 nan 8.380 nan 0.000 0.495 339 c N 3.603 122.235 118.600 0.054 0.000 2.136 339 c HA 0.282 4.852 4.570 -0.000 0.000 0.381 339 c C 0.830 174.925 174.090 0.007 0.000 1.039 339 c CA -0.841 55.508 56.329 0.033 0.000 1.491 339 c CB -1.782 40.741 42.510 0.022 0.000 1.663 339 c HN 0.570 nan 8.230 nan 0.000 0.470 340 L N 2.820 124.049 121.223 0.009 0.000 2.780 340 L HA -0.060 4.280 4.340 -0.000 0.000 0.275 340 L C 1.602 178.461 176.870 -0.018 0.000 1.153 340 L CA 0.826 55.664 54.840 -0.004 0.000 0.993 340 L CB 0.271 42.332 42.059 0.002 0.000 1.319 340 L HN 0.628 nan 8.230 nan 0.000 0.479 341 V N 3.984 123.880 119.914 -0.030 0.000 2.428 341 V HA -0.403 3.717 4.120 -0.000 0.000 0.255 341 V C 2.328 178.389 176.094 -0.055 0.000 1.080 341 V CA 1.987 64.261 62.300 -0.043 0.000 1.083 341 V CB -1.260 30.537 31.823 -0.043 0.000 0.665 341 V HN 1.007 nan 8.190 nan 0.000 0.461 342 A N 0.982 123.775 122.820 -0.045 0.000 1.972 342 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 342 A C 2.262 179.799 177.584 -0.078 0.000 1.169 342 A CA 1.795 53.800 52.037 -0.052 0.000 0.635 342 A CB -0.397 18.584 19.000 -0.031 0.000 0.810 342 A HN 0.713 nan 8.150 nan 0.000 0.446 343 R N -0.195 120.268 120.500 -0.060 0.000 2.507 343 R HA 0.213 4.553 4.340 -0.000 0.000 0.298 343 R C -0.325 175.902 176.300 -0.121 0.000 0.999 343 R CA -0.270 55.791 56.100 -0.065 0.000 1.082 343 R CB -0.180 30.156 30.300 0.059 0.000 1.246 343 R HN 0.523 nan 8.270 nan 0.000 0.553 344 Q N 1.311 121.023 119.800 -0.147 0.000 2.395 344 Q HA 0.052 4.392 4.340 -0.000 0.000 0.271 344 Q C -0.986 174.829 176.000 -0.308 0.000 1.026 344 Q CA 0.713 56.442 55.803 -0.125 0.000 0.900 344 Q CB 0.670 29.357 28.738 -0.084 0.000 1.266 344 Q HN 0.355 nan 8.270 nan 0.000 0.430 345 H N 0.555 119.622 119.070 -0.006 0.000 2.600 345 H HA 0.489 5.045 4.556 -0.000 0.000 0.357 345 H C -0.938 174.357 175.328 -0.056 0.000 1.106 345 H CA -0.510 55.536 56.048 -0.004 0.000 1.193 345 H CB 1.229 30.991 29.762 -0.000 0.000 1.594 345 H HN 0.423 nan 8.280 nan 0.000 0.526 346 I N 1.711 122.313 120.570 0.054 0.000 2.493 346 I HA 0.296 4.466 4.170 -0.000 0.000 0.298 346 I C -0.393 175.690 176.117 -0.056 0.000 0.998 346 I CA -0.367 60.877 61.300 -0.093 0.000 1.137 346 I CB 1.778 39.689 38.000 -0.148 0.000 1.310 346 I HN 0.503 nan 8.210 nan 0.000 0.445 347 E N 7.143 127.249 120.200 -0.158 0.000 2.283 347 E HA 0.472 4.822 4.350 -0.000 0.000 0.258 347 E C -1.284 175.243 176.600 -0.122 0.000 0.893 347 E CA -0.573 55.781 56.400 -0.077 0.000 0.798 347 E CB 1.887 31.564 29.700 -0.038 0.000 1.242 347 E HN 0.524 nan 8.360 nan 0.000 0.414 348 M N 0.339 119.912 119.600 -0.046 0.000 2.727 348 M HA 0.693 5.173 4.480 -0.000 0.000 0.300 348 M C -0.695 175.618 176.300 0.022 0.000 1.246 348 M CA -0.918 54.388 55.300 0.010 0.000 0.835 348 M CB 2.235 34.888 32.600 0.089 0.000 1.755 348 M HN 0.253 nan 8.290 nan 0.000 0.473 349 S N -0.513 115.202 115.700 0.025 0.000 2.571 349 S HA 0.480 4.950 4.470 -0.000 0.000 0.284 349 S C 0.022 174.624 174.600 0.003 0.000 1.128 349 S CA -0.428 57.773 58.200 0.002 0.000 0.970 349 S CB 1.849 65.025 63.200 -0.040 0.000 1.039 349 S HN 0.787 nan 8.310 nan 0.000 0.485 350 T N 3.175 117.733 114.554 0.006 0.000 3.043 350 T HA 0.038 4.388 4.350 -0.000 0.000 0.263 350 T C 1.475 176.168 174.700 -0.011 0.000 1.094 350 T CA 1.083 63.186 62.100 0.005 0.000 1.127 350 T CB -0.175 68.699 68.868 0.011 0.000 0.905 350 T HN 0.649 nan 8.240 nan 0.000 0.490 351 T N 0.249 114.794 114.554 -0.014 0.000 3.031 351 T HA 0.405 4.755 4.350 -0.000 0.000 0.254 351 T C 1.346 175.912 174.700 -0.223 0.000 1.060 351 T CA 0.745 62.845 62.100 -0.000 0.000 1.135 351 T CB 0.216 69.165 68.868 0.135 0.000 0.896 351 T HN 0.528 nan 8.240 nan 0.000 0.472 352 G N 0.142 108.619 108.800 -0.539 0.000 3.453 352 G HA2 0.485 4.445 3.960 -0.000 0.000 0.165 352 G HA3 0.485 4.445 3.960 -0.000 0.000 0.165 352 G C -1.661 173.012 174.900 -0.378 0.000 1.220 352 G CA -0.419 44.143 45.100 -0.896 0.000 1.305 352 G HN 0.434 nan 8.290 nan 0.000 0.695 353 W N 0.032 121.081 121.300 -0.418 0.000 2.820 353 W HA 0.795 5.455 4.660 0.000 0.000 0.350 353 W C -0.732 175.746 176.519 -0.068 0.000 1.116 353 W CA -1.439 55.786 57.345 -0.201 0.000 1.146 353 W CB 1.241 30.534 29.460 -0.278 0.000 1.433 353 W HN 0.272 nan 8.180 nan 0.000 0.561 354 V N 3.740 123.726 119.914 0.121 0.000 2.488 354 V HA 0.643 4.763 4.120 -0.000 0.000 0.277 354 V C 0.881 177.049 176.094 0.124 0.000 1.046 354 V CA 0.860 63.193 62.300 0.055 0.000 0.986 354 V CB -0.103 31.753 31.823 0.055 0.000 0.989 354 V HN 1.338 nan 8.190 nan 0.000 0.475 355 G N 5.301 114.129 108.800 0.047 0.000 2.796 355 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.571 355 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.571 355 G C 0.296 175.294 174.900 0.164 0.000 1.370 355 G CA 0.243 45.406 45.100 0.105 0.000 0.856 355 G HN 0.613 nan 8.290 nan 0.000 0.538 356 R N -1.244 119.373 120.500 0.196 0.000 2.066 356 R HA 0.290 4.630 4.340 -0.000 0.000 0.224 356 R C 1.965 178.305 176.300 0.067 0.000 1.122 356 R CA 1.898 58.100 56.100 0.171 0.000 0.974 356 R CB -0.025 30.407 30.300 0.220 0.000 0.871 356 R HN 0.462 nan 8.270 nan 0.000 0.435 357 F N -0.946 119.149 119.950 0.242 0.000 2.784 357 F HA 0.249 4.776 4.527 -0.000 0.000 0.316 357 F C 0.250 176.074 175.800 0.040 0.000 1.026 357 F CA -0.446 57.632 58.000 0.131 0.000 1.188 357 F CB 0.791 39.860 39.000 0.116 0.000 0.999 357 F HN -0.160 nan 8.300 nan 0.000 0.605 358 R N -0.915 119.727 120.500 0.236 0.000 2.716 358 R HA 0.495 4.835 4.340 -0.000 0.000 0.271 358 R C -3.253 173.111 176.300 0.106 0.000 1.028 358 R CA -2.062 54.101 56.100 0.105 0.000 0.883 358 R CB 0.187 30.498 30.300 0.018 0.000 1.250 358 R HN -0.364 nan 8.270 nan 0.000 0.465 359 P HA -0.033 nan 4.420 nan 0.000 0.264 359 P C -0.324 177.001 177.300 0.040 0.000 1.183 359 P CA 0.145 63.268 63.100 0.039 0.000 0.763 359 P CB 0.697 32.393 31.700 -0.005 0.000 0.807 360 S N 1.771 117.508 115.700 0.062 0.000 2.600 360 S HA 0.128 4.598 4.470 -0.000 0.000 0.265 360 S C 0.083 174.711 174.600 0.047 0.000 1.325 360 S CA -0.734 57.521 58.200 0.091 0.000 1.002 360 S CB 0.611 63.889 63.200 0.130 0.000 0.921 360 S HN 0.587 nan 8.310 nan 0.000 0.554 361 E N 1.586 121.836 120.200 0.082 0.000 2.266 361 E HA 0.363 4.713 4.350 -0.000 0.000 0.277 361 E C -2.708 173.887 176.600 -0.008 0.000 1.018 361 E CA -2.245 54.152 56.400 -0.005 0.000 0.840 361 E CB 0.980 30.677 29.700 -0.005 0.000 1.082 361 E HN 0.445 nan 8.360 nan 0.000 0.395 362 P HA 0.247 nan 4.420 nan 0.000 0.288 362 P C -1.337 175.821 177.300 -0.237 0.000 1.267 362 P CA -0.419 62.528 63.100 -0.255 0.000 0.815 362 P CB 0.626 31.775 31.700 -0.918 0.000 0.989 363 H N 1.664 120.745 119.070 0.018 0.000 2.685 363 H HA 0.408 4.964 4.556 -0.000 0.000 0.307 363 H C -0.376 175.085 175.328 0.222 0.000 1.017 363 H CA -0.208 55.943 56.048 0.172 0.000 1.237 363 H CB -0.105 29.784 29.762 0.212 0.000 1.409 363 H HN 0.228 nan 8.280 nan 0.000 0.488 364 F N 1.445 121.581 119.950 0.309 0.000 2.399 364 F HA 0.197 4.724 4.527 -0.000 0.000 0.342 364 F C 1.230 177.221 175.800 0.319 0.000 1.106 364 F CA -0.731 57.459 58.000 0.317 0.000 1.196 364 F CB 0.908 40.024 39.000 0.194 0.000 1.163 364 F HN 0.410 nan 8.300 nan 0.000 0.547 365 T N 0.819 115.676 114.554 0.506 0.000 2.802 365 T HA 0.050 4.400 4.350 -0.000 0.000 0.305 365 T C 1.153 176.044 174.700 0.318 0.000 1.053 365 T CA -0.810 61.523 62.100 0.388 0.000 1.058 365 T CB 0.690 69.769 68.868 0.352 0.000 0.988 365 T HN 0.558 nan 8.240 nan 0.000 0.539 366 L N 1.506 122.871 121.223 0.237 0.000 2.021 366 L HA -0.126 4.214 4.340 -0.000 0.000 0.215 366 L C 2.068 179.043 176.870 0.175 0.000 1.074 366 L CA 2.478 57.430 54.840 0.187 0.000 0.760 366 L CB -1.262 40.882 42.059 0.143 0.000 0.889 366 L HN 0.960 nan 8.230 nan 0.000 0.433 367 D N -1.752 118.752 120.400 0.174 0.000 2.347 367 D HA 0.091 4.731 4.640 -0.000 0.000 0.215 367 D C 1.634 178.033 176.300 0.165 0.000 0.976 367 D CA 0.820 54.910 54.000 0.150 0.000 0.884 367 D CB -0.446 40.432 40.800 0.130 0.000 0.915 367 D HN 0.442 nan 8.370 nan 0.000 0.526 368 G N 0.308 109.244 108.800 0.226 0.000 2.162 368 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.260 368 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.260 368 G C 0.830 175.905 174.900 0.292 0.000 0.976 368 G CA 0.363 45.607 45.100 0.240 0.000 0.655 368 G HN 0.407 nan 8.290 nan 0.000 0.533 369 N N 0.246 119.097 118.700 0.251 0.000 2.336 369 N HA 0.177 4.917 4.740 -0.000 0.000 0.189 369 N C 0.746 176.358 175.510 0.170 0.000 1.113 369 N CA 1.098 54.269 53.050 0.201 0.000 0.858 369 N CB 0.545 39.108 38.487 0.127 0.000 0.970 369 N HN 0.888 nan 8.380 nan 0.000 0.471 370 S N -0.215 115.614 115.700 0.215 0.000 2.588 370 S HA 0.747 5.217 4.470 -0.000 0.000 0.269 370 S C -0.973 173.662 174.600 0.057 0.000 1.157 370 S CA -0.982 57.185 58.200 -0.055 0.000 0.824 370 S CB 1.704 64.732 63.200 -0.287 0.000 1.126 370 S HN 0.136 nan 8.310 nan 0.000 0.464 371 F N -1.860 117.869 119.950 -0.368 0.000 2.745 371 F HA 0.874 5.401 4.527 -0.000 0.000 0.316 371 F C -2.040 173.557 175.800 -0.339 0.000 1.155 371 F CA -1.564 56.191 58.000 -0.409 0.000 0.937 371 F CB 0.519 38.898 39.000 -1.035 0.000 1.361 371 F HN 0.610 nan 8.300 nan 0.000 0.472 372 Y N 0.562 121.015 120.300 0.255 0.000 2.524 372 Y HA 0.741 5.291 4.550 -0.000 0.000 0.344 372 Y C -0.341 175.743 175.900 0.306 0.000 1.012 372 Y CA -1.106 57.136 58.100 0.236 0.000 1.068 372 Y CB 2.286 40.837 38.460 0.153 0.000 1.249 372 Y HN 0.761 nan 8.280 nan 0.000 0.468 373 K N 1.816 122.472 120.400 0.427 0.000 2.572 373 K HA 0.502 4.822 4.320 -0.000 0.000 0.263 373 K C -1.987 174.783 176.600 0.284 0.000 0.932 373 K CA -0.550 55.939 56.287 0.337 0.000 0.838 373 K CB 1.698 34.362 32.500 0.274 0.000 1.366 373 K HN 0.741 nan 8.250 nan 0.000 0.425 374 I N 4.614 125.315 120.570 0.218 0.000 2.396 374 I HA 0.251 4.421 4.170 -0.000 0.000 0.289 374 I C -0.372 175.861 176.117 0.193 0.000 1.056 374 I CA -0.333 61.077 61.300 0.184 0.000 1.365 374 I CB 0.631 38.712 38.000 0.135 0.000 1.407 374 I HN 0.430 nan 8.210 nan 0.000 0.509 375 I N 4.904 125.624 120.570 0.250 0.000 2.647 375 I HA 0.179 4.349 4.170 -0.000 0.000 0.295 375 I C 0.070 176.327 176.117 0.234 0.000 1.078 375 I CA -0.278 61.169 61.300 0.245 0.000 1.048 375 I CB 2.302 40.477 38.000 0.291 0.000 1.239 375 I HN 0.404 nan 8.210 nan 0.000 0.421 376 S N 5.133 120.899 115.700 0.112 0.000 2.510 376 S HA 0.201 4.671 4.470 -0.000 0.000 0.279 376 S C 0.074 174.717 174.600 0.072 0.000 1.284 376 S CA -0.456 57.750 58.200 0.009 0.000 1.059 376 S CB -0.205 62.939 63.200 -0.093 0.000 0.901 376 S HN 0.736 nan 8.310 nan 0.000 0.491 377 N N 3.250 121.886 118.700 -0.106 0.000 2.322 377 N HA 0.163 4.903 4.740 -0.000 0.000 0.270 377 N C 0.707 176.173 175.510 -0.074 0.000 1.286 377 N CA -0.695 52.224 53.050 -0.217 0.000 0.948 377 N CB 0.293 38.228 38.487 -0.921 0.000 1.164 377 N HN 0.659 nan 8.380 nan 0.000 0.551 378 E N -0.298 119.872 120.200 -0.049 0.000 2.118 378 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 378 E C 1.223 177.795 176.600 -0.046 0.000 0.992 378 E CA 1.378 57.764 56.400 -0.023 0.000 0.804 378 E CB 0.009 29.704 29.700 -0.009 0.000 0.741 378 E HN 0.568 nan 8.360 nan 0.000 0.458 379 E N -1.114 119.055 120.200 -0.052 0.000 2.347 379 E HA -0.003 4.347 4.350 -0.000 0.000 0.196 379 E C 1.040 177.619 176.600 -0.034 0.000 1.008 379 E CA 0.791 57.198 56.400 0.013 0.000 0.852 379 E CB 0.394 30.149 29.700 0.091 0.000 0.783 379 E HN 0.360 nan 8.360 nan 0.000 0.505 380 G N -0.912 107.811 108.800 -0.127 0.000 2.163 380 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.213 380 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.213 380 G C -0.434 174.186 174.900 -0.467 0.000 0.991 380 G CA -0.217 44.694 45.100 -0.316 0.000 0.653 380 G HN 0.195 nan 8.290 nan 0.000 0.518 381 Y N 0.796 120.968 120.300 -0.212 0.000 2.342 381 Y HA 0.627 5.177 4.550 -0.000 0.000 0.334 381 Y C 1.185 176.931 175.900 -0.257 0.000 1.067 381 Y CA -0.871 57.092 58.100 -0.229 0.000 1.128 381 Y CB 0.985 39.322 38.460 -0.204 0.000 1.200 381 Y HN 0.056 nan 8.280 nan 0.000 0.464 382 R N 3.428 123.810 120.500 -0.197 0.000 2.242 382 R HA 0.276 4.616 4.340 -0.000 0.000 0.334 382 R C -1.062 174.987 176.300 -0.418 0.000 1.071 382 R CA -0.145 55.836 56.100 -0.198 0.000 0.922 382 R CB -0.041 30.196 30.300 -0.105 0.000 1.023 382 R HN 0.743 nan 8.270 nan 0.000 0.458 383 H N 0.573 119.566 119.070 -0.130 0.000 2.864 383 H HA 0.417 4.973 4.556 -0.000 0.000 0.354 383 H C -0.132 175.245 175.328 0.082 0.000 1.208 383 H CA -0.871 55.082 56.048 -0.157 0.000 1.191 383 H CB 1.597 31.099 29.762 -0.432 0.000 1.889 383 H HN 0.329 nan 8.280 nan 0.000 0.574 384 I N 1.251 121.926 120.570 0.174 0.000 2.396 384 I HA 0.111 4.281 4.170 -0.000 0.000 0.289 384 I C -0.306 175.937 176.117 0.210 0.000 1.056 384 I CA 0.034 61.413 61.300 0.133 0.000 1.365 384 I CB 0.302 38.262 38.000 -0.066 0.000 1.407 384 I HN 0.250 nan 8.210 nan 0.000 0.509 385 c N 7.065 125.742 118.600 0.128 0.000 2.382 385 c HA 0.399 4.969 4.570 -0.000 0.000 0.327 385 c C -0.241 173.769 174.090 -0.133 0.000 1.250 385 c CA -0.477 55.721 56.329 -0.219 0.000 1.707 385 c CB 0.913 43.052 42.510 -0.618 0.000 2.272 385 c HN 0.621 nan 8.230 nan 0.000 0.506 386 Y N 4.391 124.415 120.300 -0.461 0.000 2.350 386 Y HA 0.601 5.151 4.550 -0.000 0.000 0.340 386 Y C -0.818 174.633 175.900 -0.748 0.000 1.006 386 Y CA -0.605 57.158 58.100 -0.562 0.000 1.166 386 Y CB 0.189 38.393 38.460 -0.426 0.000 1.168 386 Y HN 0.607 nan 8.280 nan 0.000 0.502 387 F N 3.879 123.118 119.950 -1.184 0.000 2.480 387 F HA 0.486 5.013 4.527 -0.000 0.000 0.329 387 F C -0.066 174.929 175.800 -1.342 0.000 1.091 387 F CA -0.714 56.523 58.000 -1.271 0.000 0.972 387 F CB 1.806 39.672 39.000 -1.889 0.000 1.150 387 F HN 0.364 nan 8.300 nan 0.000 0.467 388 Q N 1.753 121.147 119.800 -0.676 0.000 2.266 388 Q HA 0.392 4.732 4.340 -0.000 0.000 0.261 388 Q C 0.753 176.676 176.000 -0.129 0.000 0.985 388 Q CA -0.580 54.961 55.803 -0.438 0.000 0.873 388 Q CB 2.371 30.916 28.738 -0.322 0.000 1.306 388 Q HN 0.691 nan 8.270 nan 0.000 0.447 389 I N 1.121 121.699 120.570 0.014 0.000 2.179 389 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 389 I C 0.908 177.160 176.117 0.226 0.000 1.088 389 I CA 1.639 63.078 61.300 0.232 0.000 1.357 389 I CB 0.228 38.374 38.000 0.244 0.000 1.051 389 I HN 0.687 nan 8.210 nan 0.000 0.409 390 D N 0.613 121.072 120.400 0.099 0.000 2.342 390 D HA 0.068 4.708 4.640 -0.000 0.000 0.221 390 D C 0.307 176.619 176.300 0.020 0.000 1.101 390 D CA 0.331 54.360 54.000 0.048 0.000 0.837 390 D CB 0.366 41.183 40.800 0.028 0.000 0.938 390 D HN 0.277 nan 8.370 nan 0.000 0.508 391 K N 0.155 120.583 120.400 0.046 0.000 2.352 391 K HA 0.288 4.608 4.320 -0.000 0.000 0.240 391 K C 1.028 177.668 176.600 0.068 0.000 1.017 391 K CA -0.522 55.773 56.287 0.013 0.000 0.851 391 K CB 2.179 34.652 32.500 -0.044 0.000 1.261 391 K HN -0.148 nan 8.250 nan 0.000 0.451 392 K N -0.763 119.643 120.400 0.010 0.000 2.287 392 K HA 0.179 4.499 4.320 -0.000 0.000 0.199 392 K C 0.212 176.827 176.600 0.025 0.000 1.061 392 K CA 0.385 56.679 56.287 0.011 0.000 0.976 392 K CB 0.288 32.771 32.500 -0.028 0.000 0.898 392 K HN 0.258 nan 8.250 nan 0.000 0.492 393 D N 0.350 120.708 120.400 -0.070 0.000 2.442 393 D HA 0.333 4.973 4.640 -0.000 0.000 0.254 393 D C -0.599 175.473 176.300 -0.379 0.000 1.069 393 D CA -0.650 53.245 54.000 -0.175 0.000 1.017 393 D CB 1.870 42.573 40.800 -0.160 0.000 1.172 393 D HN 0.399 nan 8.370 nan 0.000 0.561 394 c N -1.343 116.901 118.600 -0.593 0.000 2.707 394 c HA 0.813 5.383 4.570 -0.000 0.000 0.313 394 c C -0.204 173.474 174.090 -0.686 0.000 1.209 394 c CA -0.580 55.189 56.329 -0.933 0.000 1.635 394 c CB 1.095 42.472 42.510 -1.889 0.000 2.206 394 c HN 0.455 nan 8.230 nan 0.000 0.485 395 T N 2.858 117.085 114.554 -0.545 0.000 2.749 395 T HA 0.461 4.811 4.350 -0.000 0.000 0.287 395 T C -0.567 173.930 174.700 -0.338 0.000 0.970 395 T CA 0.141 62.057 62.100 -0.307 0.000 0.980 395 T CB 0.195 69.036 68.868 -0.045 0.000 0.924 395 T HN 0.488 nan 8.240 nan 0.000 0.456 396 F N 2.836 122.687 119.950 -0.165 0.000 2.506 396 F HA 0.235 4.762 4.527 -0.000 0.000 0.371 396 F C 1.211 176.873 175.800 -0.229 0.000 1.078 396 F CA -0.913 56.976 58.000 -0.186 0.000 1.195 396 F CB 0.294 39.182 39.000 -0.187 0.000 1.099 396 F HN 0.487 nan 8.300 nan 0.000 0.548 397 I N 1.471 121.985 120.570 -0.092 0.000 3.603 397 I HA -0.002 4.168 4.170 -0.000 0.000 0.297 397 I C 0.832 176.813 176.117 -0.226 0.000 1.269 397 I CA 0.594 61.657 61.300 -0.396 0.000 1.361 397 I CB -0.148 37.500 38.000 -0.587 0.000 1.063 397 I HN 0.627 nan 8.210 nan 0.000 0.448 398 T N -1.194 113.260 114.554 -0.165 0.000 2.896 398 T HA 0.719 5.069 4.350 -0.000 0.000 0.297 398 T C -0.695 173.599 174.700 -0.676 0.000 1.108 398 T CA -0.898 61.062 62.100 -0.235 0.000 1.004 398 T CB 2.613 71.441 68.868 -0.068 0.000 1.159 398 T HN 0.141 nan 8.240 nan 0.000 0.499 399 K N -0.261 119.576 120.400 -0.939 0.000 2.597 399 K HA 0.781 5.101 4.320 -0.000 0.000 0.282 399 K C -0.578 175.342 176.600 -1.134 0.000 0.975 399 K CA -0.885 54.588 56.287 -1.356 0.000 0.867 399 K CB 1.517 33.610 32.500 -0.678 0.000 1.465 399 K HN 1.570 nan 8.250 nan 0.000 0.417 400 G N -0.037 108.109 108.800 -1.090 0.000 2.361 400 G HA2 0.074 4.034 3.960 -0.000 0.000 0.305 400 G HA3 0.074 4.034 3.960 -0.000 0.000 0.305 400 G C -0.979 173.350 174.900 -0.951 0.000 1.367 400 G CA -0.708 43.908 45.100 -0.806 0.000 0.951 400 G HN 0.420 nan 8.290 nan 0.000 0.615 401 T N 2.379 116.547 114.554 -0.644 0.000 4.320 401 T HA 0.428 4.778 4.350 -0.000 0.000 0.221 401 T C -0.128 174.390 174.700 -0.304 0.000 0.896 401 T CA 0.992 62.630 62.100 -0.769 0.000 0.928 401 T CB -1.309 67.357 68.868 -0.337 0.000 1.369 401 T HN 0.688 nan 8.240 nan 0.000 0.836 402 W N -0.492 120.626 121.300 -0.304 0.000 2.881 402 W HA 0.529 5.189 4.660 -0.000 0.000 0.380 402 W C -1.466 175.041 176.519 -0.019 0.000 1.170 402 W CA -0.953 56.372 57.345 -0.032 0.000 1.171 402 W CB 0.760 30.192 29.460 -0.046 0.000 1.464 402 W HN -0.081 nan 8.180 nan 0.000 0.574 403 E N 0.932 121.342 120.200 0.350 0.000 2.288 403 E HA 0.468 4.818 4.350 -0.000 0.000 0.268 403 E C -1.062 175.672 176.600 0.224 0.000 0.885 403 E CA -1.146 55.272 56.400 0.031 0.000 0.767 403 E CB 3.439 33.201 29.700 0.103 0.000 1.220 403 E HN 0.168 nan 8.360 nan 0.000 0.427 404 V N 3.237 123.147 119.914 -0.007 0.000 2.498 404 V HA 0.042 4.162 4.120 -0.000 0.000 0.279 404 V C 0.872 177.056 176.094 0.151 0.000 1.048 404 V CA 0.214 62.612 62.300 0.162 0.000 0.967 404 V CB 0.906 32.735 31.823 0.011 0.000 0.988 404 V HN 0.661 nan 8.190 nan 0.000 0.473 405 I N 3.079 123.760 120.570 0.186 0.000 2.731 405 I HA 0.359 4.529 4.170 -0.000 0.000 0.260 405 I C 1.114 177.335 176.117 0.174 0.000 1.138 405 I CA 1.035 62.433 61.300 0.162 0.000 1.461 405 I CB 0.036 38.062 38.000 0.044 0.000 1.128 405 I HN 0.776 nan 8.210 nan 0.000 0.438 406 G N -0.076 108.829 108.800 0.176 0.000 2.667 406 G HA2 0.511 4.471 3.960 -0.000 0.000 0.294 406 G HA3 0.511 4.471 3.960 -0.000 0.000 0.294 406 G C -1.366 173.624 174.900 0.150 0.000 1.467 406 G CA -0.571 44.627 45.100 0.164 0.000 0.852 406 G HN -0.087 nan 8.290 nan 0.000 0.521 407 I N 1.607 122.205 120.570 0.046 0.000 2.331 407 I HA 0.291 4.461 4.170 -0.000 0.000 0.292 407 I C 0.548 176.610 176.117 -0.091 0.000 0.998 407 I CA -0.635 60.612 61.300 -0.089 0.000 1.267 407 I CB 1.841 39.599 38.000 -0.403 0.000 1.386 407 I HN 0.510 nan 8.210 nan 0.000 0.476 408 E N 4.799 125.016 120.200 0.029 0.000 2.372 408 E HA 0.350 4.700 4.350 -0.000 0.000 0.201 408 E C 0.130 176.753 176.600 0.037 0.000 0.938 408 E CA 0.188 56.657 56.400 0.114 0.000 0.944 408 E CB 1.005 30.854 29.700 0.247 0.000 0.937 408 E HN 0.665 nan 8.360 nan 0.000 0.495 409 A N 0.698 123.464 122.820 -0.090 0.000 2.605 409 A HA 0.627 4.947 4.320 -0.000 0.000 0.294 409 A C -1.978 175.571 177.584 -0.059 0.000 1.062 409 A CA -0.637 51.296 52.037 -0.174 0.000 0.682 409 A CB 1.336 19.869 19.000 -0.778 0.000 1.278 409 A HN 0.042 nan 8.150 nan 0.000 0.410 410 L N 1.284 122.504 121.223 -0.005 0.000 2.464 410 L HA 0.837 5.177 4.340 -0.000 0.000 0.266 410 L C 0.114 177.016 176.870 0.053 0.000 0.965 410 L CA 0.577 55.422 54.840 0.009 0.000 0.833 410 L CB 2.195 44.291 42.059 0.062 0.000 1.296 410 L HN 1.295 nan 8.230 nan 0.000 0.405 411 T N -0.518 114.064 114.554 0.047 0.000 2.724 411 T HA 0.431 4.781 4.350 -0.000 0.000 0.274 411 T C 0.945 175.662 174.700 0.028 0.000 0.984 411 T CA 0.123 62.261 62.100 0.064 0.000 1.024 411 T CB 1.020 69.948 68.868 0.102 0.000 1.320 411 T HN 0.614 nan 8.240 nan 0.000 0.555 412 S N -0.181 115.529 115.700 0.018 0.000 2.447 412 S HA -0.056 4.414 4.470 -0.000 0.000 0.233 412 S C 0.895 175.427 174.600 -0.113 0.000 1.006 412 S CA 0.959 59.153 58.200 -0.011 0.000 0.957 412 S CB -0.481 62.719 63.200 -0.000 0.000 0.773 412 S HN 0.722 nan 8.310 nan 0.000 0.507 413 D N -0.326 119.937 120.400 -0.228 0.000 2.394 413 D HA 0.221 4.861 4.640 -0.000 0.000 0.226 413 D C -0.299 175.526 176.300 -0.792 0.000 0.990 413 D CA 0.676 54.318 54.000 -0.596 0.000 0.902 413 D CB 0.243 40.509 40.800 -0.889 0.000 1.038 413 D HN 0.463 nan 8.370 nan 0.000 0.499 414 Y N -0.159 120.045 120.300 -0.160 0.000 2.581 414 Y HA 0.510 5.060 4.550 -0.000 0.000 0.345 414 Y C -0.532 175.148 175.900 -0.366 0.000 1.036 414 Y CA -1.125 56.786 58.100 -0.315 0.000 1.042 414 Y CB 2.193 40.319 38.460 -0.556 0.000 1.289 414 Y HN -0.279 nan 8.280 nan 0.000 0.471 415 L N 2.029 123.103 121.223 -0.250 0.000 2.329 415 L HA 0.618 4.958 4.340 -0.000 0.000 0.279 415 L C -1.826 174.884 176.870 -0.266 0.000 1.014 415 L CA -0.679 53.995 54.840 -0.276 0.000 0.814 415 L CB 1.047 42.876 42.059 -0.383 0.000 1.257 415 L HN 0.653 nan 8.230 nan 0.000 0.424 416 Y N 4.744 124.976 120.300 -0.112 0.000 2.331 416 Y HA 0.488 5.038 4.550 -0.000 0.000 0.338 416 Y C -0.411 175.519 175.900 0.049 0.000 0.992 416 Y CA -0.352 57.689 58.100 -0.098 0.000 1.121 416 Y CB 1.197 39.467 38.460 -0.317 0.000 1.184 416 Y HN 0.534 nan 8.280 nan 0.000 0.469 417 Y N 0.239 120.599 120.300 0.101 0.000 2.669 417 Y HA 0.868 5.417 4.550 -0.000 0.000 0.335 417 Y C -1.645 174.337 175.900 0.136 0.000 1.116 417 Y CA -2.307 55.847 58.100 0.090 0.000 1.081 417 Y CB 1.199 39.690 38.460 0.052 0.000 1.297 417 Y HN 0.407 nan 8.280 nan 0.000 0.484 418 I N 2.467 123.167 120.570 0.216 0.000 2.433 418 I HA 0.592 4.762 4.170 -0.000 0.000 0.292 418 I C -0.571 175.673 176.117 0.211 0.000 1.001 418 I CA -0.428 60.937 61.300 0.109 0.000 1.119 418 I CB 2.017 40.046 38.000 0.048 0.000 1.289 418 I HN 0.862 nan 8.210 nan 0.000 0.438 419 S N 3.589 119.375 115.700 0.144 0.000 2.661 419 S HA 0.411 4.881 4.470 -0.000 0.000 0.285 419 S C -0.386 174.211 174.600 -0.005 0.000 1.138 419 S CA -0.948 57.318 58.200 0.110 0.000 0.855 419 S CB 1.574 64.811 63.200 0.063 0.000 1.136 419 S HN 0.750 nan 8.310 nan 0.000 0.484 420 N N -0.323 118.371 118.700 -0.010 0.000 2.376 420 N HA 0.150 4.890 4.740 -0.000 0.000 0.249 420 N C 0.739 176.173 175.510 -0.127 0.000 1.140 420 N CA -0.475 52.540 53.050 -0.058 0.000 0.870 420 N CB 0.337 38.794 38.487 -0.051 0.000 1.124 420 N HN 0.743 nan 8.380 nan 0.000 0.505 421 E N 0.541 120.509 120.200 -0.387 0.000 2.107 421 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 421 E C -0.283 176.138 176.600 -0.298 0.000 0.982 421 E CA 0.333 56.259 56.400 -0.790 0.000 0.809 421 E CB 0.031 28.673 29.700 -1.763 0.000 0.756 421 E HN 0.422 nan 8.360 nan 0.000 0.459 422 Y N 2.115 122.302 120.300 -0.188 0.000 2.881 422 Y HA -0.161 4.389 4.550 -0.000 0.000 0.335 422 Y C 0.464 176.322 175.900 -0.071 0.000 1.263 422 Y CA 0.900 58.952 58.100 -0.080 0.000 1.572 422 Y CB 0.109 38.548 38.460 -0.035 0.000 1.237 422 Y HN 0.035 nan 8.280 nan 0.000 0.568 423 K N 3.400 123.485 120.400 -0.524 0.000 2.914 423 K HA -0.267 4.053 4.320 -0.000 0.000 0.253 423 K C 0.885 177.423 176.600 -0.103 0.000 0.986 423 K CA 0.893 56.973 56.287 -0.346 0.000 0.730 423 K CB -1.737 30.530 32.500 -0.387 0.000 1.228 423 K HN 1.216 nan 8.250 nan 0.000 0.483 424 G N 0.314 109.066 108.800 -0.081 0.000 2.258 424 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.274 424 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.274 424 G C 0.008 174.911 174.900 0.005 0.000 1.021 424 G CA 0.769 45.871 45.100 0.002 0.000 0.798 424 G HN 0.369 nan 8.290 nan 0.000 0.507 425 M N 0.074 119.603 119.600 -0.119 0.000 2.111 425 M HA 0.244 4.724 4.480 -0.000 0.000 0.351 425 M C -1.282 174.773 176.300 -0.408 0.000 1.214 425 M CA -2.016 53.047 55.300 -0.396 0.000 1.120 425 M CB 1.621 34.049 32.600 -0.286 0.000 1.443 425 M HN -0.144 nan 8.290 nan 0.000 0.429 426 P HA -0.080 nan 4.420 nan 0.000 0.223 426 P C 1.114 178.254 177.300 -0.268 0.000 1.144 426 P CA 0.960 63.879 63.100 -0.301 0.000 0.783 426 P CB 0.210 31.726 31.700 -0.307 0.000 0.771 427 G N -1.278 107.292 108.800 -0.382 0.000 3.189 427 G HA2 0.282 4.242 3.960 -0.000 0.000 0.225 427 G HA3 0.282 4.242 3.960 -0.000 0.000 0.225 427 G C 0.648 175.529 174.900 -0.033 0.000 1.159 427 G CA 0.064 45.066 45.100 -0.163 0.000 0.763 427 G HN 0.369 nan 8.290 nan 0.000 0.549 428 G N -0.113 108.613 108.800 -0.123 0.000 2.461 428 G HA2 0.627 4.587 3.960 -0.000 0.000 0.329 428 G HA3 0.627 4.587 3.960 -0.000 0.000 0.329 428 G C -0.778 173.955 174.900 -0.277 0.000 1.170 428 G CA -0.746 44.299 45.100 -0.093 0.000 0.935 428 G HN 0.084 nan 8.290 nan 0.000 0.492 429 R N 1.113 121.384 120.500 -0.381 0.000 2.515 429 R HA 0.366 4.706 4.340 -0.000 0.000 0.291 429 R C -1.250 174.954 176.300 -0.160 0.000 1.046 429 R CA -0.737 55.115 56.100 -0.414 0.000 0.914 429 R CB 1.865 31.636 30.300 -0.881 0.000 1.191 429 R HN 0.592 nan 8.270 nan 0.000 0.435 430 N N 1.819 120.465 118.700 -0.090 0.000 2.262 430 N HA 0.364 5.104 4.740 -0.000 0.000 0.295 430 N C -1.057 174.311 175.510 -0.237 0.000 1.161 430 N CA -0.872 52.065 53.050 -0.189 0.000 0.767 430 N CB 2.804 41.071 38.487 -0.366 0.000 1.499 430 N HN 0.259 nan 8.380 nan 0.000 0.476 431 L N 2.287 123.238 121.223 -0.453 0.000 2.281 431 L HA 0.399 4.739 4.340 -0.000 0.000 0.285 431 L C -1.215 175.274 176.870 -0.637 0.000 1.074 431 L CA 0.053 54.649 54.840 -0.408 0.000 0.817 431 L CB -0.208 41.617 42.059 -0.390 0.000 1.168 431 L HN 0.415 nan 8.230 nan 0.000 0.434 432 Y N 3.919 123.863 120.300 -0.594 0.000 2.654 432 Y HA 0.664 5.214 4.550 -0.000 0.000 0.327 432 Y C -0.178 175.462 175.900 -0.433 0.000 1.122 432 Y CA -0.887 56.829 58.100 -0.640 0.000 1.227 432 Y CB 1.210 39.049 38.460 -1.036 0.000 1.370 432 Y HN 0.451 nan 8.280 nan 0.000 0.528 433 K N 1.495 121.817 120.400 -0.130 0.000 2.571 433 K HA 0.505 4.825 4.320 -0.000 0.000 0.252 433 K C -2.235 174.338 176.600 -0.044 0.000 0.956 433 K CA -0.258 55.883 56.287 -0.244 0.000 0.822 433 K CB 1.278 33.572 32.500 -0.343 0.000 1.286 433 K HN 0.722 nan 8.250 nan 0.000 0.439 434 I N 3.356 123.920 120.570 -0.010 0.000 2.433 434 I HA 0.232 4.402 4.170 -0.000 0.000 0.292 434 I C 0.114 176.297 176.117 0.109 0.000 1.001 434 I CA -0.893 60.461 61.300 0.090 0.000 1.119 434 I CB 2.079 40.131 38.000 0.088 0.000 1.289 434 I HN 0.436 nan 8.210 nan 0.000 0.438 435 Q N 5.123 125.004 119.800 0.135 0.000 2.296 435 Q HA 0.251 4.591 4.340 -0.000 0.000 0.262 435 Q C 0.638 176.655 176.000 0.029 0.000 0.981 435 Q CA -0.064 55.766 55.803 0.044 0.000 0.905 435 Q CB 1.595 30.358 28.738 0.042 0.000 1.186 435 Q HN 0.672 nan 8.270 nan 0.000 0.399 436 L N 1.454 122.638 121.223 -0.065 0.000 2.341 436 L HA -0.104 4.236 4.340 -0.000 0.000 0.214 436 L C 2.305 179.110 176.870 -0.108 0.000 1.115 436 L CA 0.681 55.536 54.840 0.024 0.000 0.820 436 L CB -0.230 41.811 42.059 -0.030 0.000 0.944 436 L HN 0.649 nan 8.230 nan 0.000 0.452 437 S N -1.414 114.197 115.700 -0.148 0.000 2.469 437 S HA -0.154 4.316 4.470 -0.000 0.000 0.238 437 S C 0.580 175.045 174.600 -0.225 0.000 0.998 437 S CA 0.929 59.026 58.200 -0.171 0.000 0.957 437 S CB -0.130 62.990 63.200 -0.132 0.000 0.764 437 S HN 0.461 nan 8.310 nan 0.000 0.514 438 D N -0.777 119.497 120.400 -0.211 0.000 2.300 438 D HA 0.163 4.803 4.640 -0.000 0.000 0.218 438 D C -0.382 175.897 176.300 -0.033 0.000 1.326 438 D CA -0.577 53.306 54.000 -0.195 0.000 0.942 438 D CB -0.095 40.647 40.800 -0.097 0.000 1.495 438 D HN -0.053 nan 8.370 nan 0.000 0.545 439 Y N 1.058 121.338 120.300 -0.034 0.000 2.333 439 Y HA -0.125 4.425 4.550 -0.000 0.000 0.290 439 Y C 2.601 178.504 175.900 0.005 0.000 1.144 439 Y CA 1.676 59.764 58.100 -0.020 0.000 1.228 439 Y CB -1.033 37.411 38.460 -0.027 0.000 0.985 439 Y HN 0.480 nan 8.280 nan 0.000 0.542 440 T N -2.366 112.272 114.554 0.139 0.000 3.072 440 T HA -0.036 4.314 4.350 -0.000 0.000 0.266 440 T C 0.656 175.408 174.700 0.087 0.000 1.127 440 T CA 0.251 62.408 62.100 0.096 0.000 1.107 440 T CB -0.171 68.729 68.868 0.053 0.000 0.910 440 T HN 0.012 nan 8.240 nan 0.000 0.513 441 K N 2.347 122.800 120.400 0.088 0.000 2.184 441 K HA 0.460 4.780 4.320 -0.000 0.000 0.259 441 K C -1.141 175.519 176.600 0.099 0.000 1.119 441 K CA -0.249 56.084 56.287 0.077 0.000 0.991 441 K CB 1.185 33.718 32.500 0.056 0.000 1.522 441 K HN 0.166 nan 8.250 nan 0.000 0.405 442 V N 2.330 122.306 119.914 0.103 0.000 2.409 442 V HA 0.201 4.321 4.120 -0.000 0.000 0.291 442 V C -0.002 176.154 176.094 0.104 0.000 1.020 442 V CA -0.566 61.811 62.300 0.129 0.000 0.848 442 V CB 1.892 33.818 31.823 0.171 0.000 0.990 442 V HN 0.522 nan 8.190 nan 0.000 0.430 443 T N 4.142 118.732 114.554 0.060 0.000 2.771 443 T HA 0.217 4.567 4.350 -0.000 0.000 0.281 443 T C -0.190 174.460 174.700 -0.084 0.000 0.982 443 T CA -0.169 61.926 62.100 -0.009 0.000 0.978 443 T CB 0.981 69.813 68.868 -0.059 0.000 0.930 443 T HN 0.782 nan 8.240 nan 0.000 0.447 444 C N 5.292 124.481 119.300 -0.185 0.000 2.629 444 C HA 0.358 4.817 4.460 -0.000 0.000 0.410 444 C C 1.587 176.270 174.990 -0.512 0.000 1.339 444 C CA -0.371 58.250 59.018 -0.662 0.000 1.810 444 C CB -1.591 25.701 27.740 -0.746 0.000 2.549 444 C HN 0.959 nan 8.230 nan 0.000 0.589 445 L N 4.588 125.461 121.223 -0.584 0.000 2.590 445 L HA 0.123 4.463 4.340 -0.000 0.000 0.227 445 L C 2.050 178.636 176.870 -0.473 0.000 1.099 445 L CA 0.701 55.305 54.840 -0.395 0.000 0.872 445 L CB -0.078 41.792 42.059 -0.314 0.000 1.088 445 L HN 0.888 nan 8.230 nan 0.000 0.479 446 S N -3.007 112.274 115.700 -0.698 0.000 2.631 446 S HA -0.019 4.451 4.470 -0.000 0.000 0.246 446 S C 1.838 175.991 174.600 -0.745 0.000 1.068 446 S CA -0.009 57.629 58.200 -0.936 0.000 0.995 446 S CB -0.251 61.979 63.200 -1.615 0.000 0.944 446 S HN 0.273 nan 8.310 nan 0.000 0.529 447 C N 2.806 121.677 119.300 -0.716 0.000 2.336 447 C HA -0.071 4.389 4.460 -0.000 0.000 0.275 447 C C 2.336 177.043 174.990 -0.473 0.000 1.175 447 C CA 1.338 59.883 59.018 -0.789 0.000 1.771 447 C CB -1.007 26.084 27.740 -1.080 0.000 2.030 447 C HN 0.593 nan 8.230 nan 0.000 0.442 448 E N 0.631 120.633 120.200 -0.329 0.000 2.445 448 E HA 0.140 4.490 4.350 -0.000 0.000 0.189 448 E C 1.819 178.362 176.600 -0.096 0.000 1.069 448 E CA 0.078 56.387 56.400 -0.152 0.000 0.871 448 E CB -0.332 29.309 29.700 -0.097 0.000 0.991 448 E HN 0.679 nan 8.360 nan 0.000 0.481 449 L N 0.146 121.303 121.223 -0.110 0.000 2.072 449 L HA -0.024 4.316 4.340 -0.000 0.000 0.205 449 L C 0.805 177.683 176.870 0.013 0.000 1.079 449 L CA 0.871 55.690 54.840 -0.035 0.000 0.752 449 L CB 0.090 42.135 42.059 -0.024 0.000 0.906 449 L HN 0.033 nan 8.230 nan 0.000 0.436 450 N N -1.331 117.390 118.700 0.035 0.000 2.884 450 N HA 0.104 4.844 4.740 -0.000 0.000 0.211 450 N C -2.155 173.374 175.510 0.030 0.000 1.442 450 N CA -0.494 52.573 53.050 0.028 0.000 0.757 450 N CB 1.241 39.744 38.487 0.027 0.000 1.461 450 N HN -0.116 nan 8.380 nan 0.000 0.557 451 P HA -0.093 nan 4.420 nan 0.000 0.221 451 P C 0.697 178.036 177.300 0.064 0.000 1.145 451 P CA 1.378 64.515 63.100 0.062 0.000 0.795 451 P CB 0.766 32.520 31.700 0.091 0.000 0.775 452 E N -0.796 119.423 120.200 0.033 0.000 2.099 452 E HA 0.030 4.380 4.350 -0.000 0.000 0.191 452 E C 2.328 178.926 176.600 -0.003 0.000 0.962 452 E CA 0.319 56.731 56.400 0.020 0.000 0.826 452 E CB -0.336 29.369 29.700 0.009 0.000 0.788 452 E HN 0.038 nan 8.360 nan 0.000 0.461 453 R N -0.339 120.146 120.500 -0.025 0.000 2.090 453 R HA 0.056 4.396 4.340 -0.000 0.000 0.228 453 R C -0.235 176.015 176.300 -0.084 0.000 1.110 453 R CA 0.810 56.871 56.100 -0.064 0.000 0.973 453 R CB 0.133 30.386 30.300 -0.078 0.000 0.869 453 R HN 0.161 nan 8.270 nan 0.000 0.440 454 c N 0.381 118.943 118.600 -0.064 0.000 2.344 454 c HA 0.392 4.962 4.570 -0.000 0.000 0.326 454 c C -0.108 173.954 174.090 -0.047 0.000 1.201 454 c CA -0.640 55.602 56.329 -0.144 0.000 1.410 454 c CB 1.394 43.814 42.510 -0.150 0.000 2.070 454 c HN 0.527 nan 8.230 nan 0.000 0.445 455 Q N 0.642 120.396 119.800 -0.078 0.000 2.036 455 Q HA 0.186 4.526 4.340 -0.000 0.000 0.208 455 Q C -1.041 174.982 176.000 0.039 0.000 0.770 455 Q CA 0.041 55.867 55.803 0.039 0.000 0.992 455 Q CB 1.231 30.018 28.738 0.082 0.000 1.209 455 Q HN 0.788 nan 8.270 nan 0.000 0.445 456 Y N 0.436 120.596 120.300 -0.233 0.000 2.563 456 Y HA 0.333 4.883 4.550 -0.000 0.000 0.351 456 Y C -1.541 174.177 175.900 -0.303 0.000 1.087 456 Y CA -0.984 57.004 58.100 -0.187 0.000 1.272 456 Y CB 0.418 38.791 38.460 -0.145 0.000 1.095 456 Y HN -0.042 nan 8.280 nan 0.000 0.620 457 Y N 1.658 121.866 120.300 -0.153 0.000 2.354 457 Y HA 0.615 5.165 4.550 -0.000 0.000 0.322 457 Y C 0.672 176.498 175.900 -0.122 0.000 1.253 457 Y CA -0.060 57.960 58.100 -0.133 0.000 1.272 457 Y CB 1.750 40.096 38.460 -0.190 0.000 1.255 457 Y HN 0.455 nan 8.280 nan 0.000 0.500 458 S N 0.558 116.318 115.700 0.101 0.000 2.651 458 S HA 0.846 5.316 4.470 -0.000 0.000 0.279 458 S C -1.637 173.005 174.600 0.070 0.000 1.148 458 S CA -0.763 57.483 58.200 0.077 0.000 0.837 458 S CB 1.721 64.982 63.200 0.102 0.000 1.138 458 S HN 0.637 nan 8.310 nan 0.000 0.478 459 V N 0.211 120.162 119.914 0.061 0.000 3.181 459 V HA 0.932 5.052 4.120 -0.000 0.000 0.308 459 V C -1.396 174.730 176.094 0.054 0.000 1.214 459 V CA 0.046 62.341 62.300 -0.008 0.000 1.053 459 V CB 2.247 33.974 31.823 -0.159 0.000 1.069 459 V HN 1.485 nan 8.190 nan 0.000 0.441 460 S N 3.091 118.795 115.700 0.008 0.000 2.689 460 S HA 0.651 5.121 4.470 -0.000 0.000 0.274 460 S C -1.425 173.275 174.600 0.167 0.000 1.176 460 S CA -0.400 57.924 58.200 0.205 0.000 1.014 460 S CB 0.664 64.052 63.200 0.312 0.000 1.071 460 S HN 0.518 nan 8.310 nan 0.000 0.478 461 F N 2.947 122.944 119.950 0.079 0.000 2.403 461 F HA 0.548 5.075 4.527 -0.000 0.000 0.326 461 F C 1.359 176.676 175.800 -0.805 0.000 1.081 461 F CA -0.277 57.585 58.000 -0.230 0.000 1.041 461 F CB 1.659 40.528 39.000 -0.219 0.000 1.234 461 F HN 0.681 nan 8.300 nan 0.000 0.503 462 S N 0.914 115.896 115.700 -1.198 0.000 2.593 462 S HA 0.249 4.719 4.470 -0.000 0.000 0.269 462 S C -0.415 174.019 174.600 -0.278 0.000 1.334 462 S CA -1.128 56.367 58.200 -1.175 0.000 1.015 462 S CB 0.344 62.872 63.200 -1.119 0.000 0.912 462 S HN 0.498 nan 8.310 nan 0.000 0.541 463 K N 1.776 122.143 120.400 -0.054 0.000 2.513 463 K HA -0.109 4.211 4.320 -0.000 0.000 0.275 463 K C 0.385 176.992 176.600 0.012 0.000 1.025 463 K CA 1.011 57.324 56.287 0.044 0.000 1.125 463 K CB -0.262 32.304 32.500 0.109 0.000 0.843 463 K HN 0.811 nan 8.250 nan 0.000 0.486 464 E N 0.918 121.132 120.200 0.024 0.000 3.170 464 E HA -0.319 4.031 4.350 -0.000 0.000 0.284 464 E C -0.063 176.521 176.600 -0.026 0.000 0.967 464 E CA 0.453 56.861 56.400 0.013 0.000 0.919 464 E CB -1.494 28.222 29.700 0.027 0.000 1.469 464 E HN 0.866 nan 8.360 nan 0.000 0.444 465 A N -0.371 122.410 122.820 -0.066 0.000 2.687 465 A HA -0.371 3.949 4.320 -0.000 0.000 0.299 465 A C 1.301 178.851 177.584 -0.057 0.000 1.497 465 A CA 1.767 53.757 52.037 -0.078 0.000 0.751 465 A CB -1.227 17.574 19.000 -0.333 0.000 1.048 465 A HN 0.338 nan 8.150 nan 0.000 0.464 466 K N -1.781 118.530 120.400 -0.148 0.000 2.103 466 K HA 0.021 4.341 4.320 -0.000 0.000 0.204 466 K C 0.000 176.193 176.600 -0.679 0.000 1.052 466 K CA 1.559 57.613 56.287 -0.389 0.000 0.945 466 K CB 0.039 32.302 32.500 -0.395 0.000 0.722 466 K HN 0.760 nan 8.250 nan 0.000 0.443 467 Y N -0.878 119.386 120.300 -0.059 0.000 2.553 467 Y HA 0.254 4.804 4.550 -0.000 0.000 0.347 467 Y C -0.749 175.092 175.900 -0.098 0.000 1.019 467 Y CA -1.614 56.446 58.100 -0.066 0.000 1.032 467 Y CB 1.587 40.033 38.460 -0.023 0.000 1.284 467 Y HN -0.063 nan 8.280 nan 0.000 0.466 468 Y N -0.863 119.399 120.300 -0.063 0.000 2.477 468 Y HA 0.526 5.076 4.550 -0.000 0.000 0.347 468 Y C -0.885 174.995 175.900 -0.033 0.000 0.981 468 Y CA -1.673 56.195 58.100 -0.385 0.000 1.033 468 Y CB 1.446 39.096 38.460 -1.351 0.000 1.245 468 Y HN 0.566 nan 8.280 nan 0.000 0.455 469 Q N 4.066 123.965 119.800 0.165 0.000 2.360 469 Q HA 0.410 4.750 4.340 -0.000 0.000 0.254 469 Q C -1.417 174.605 176.000 0.037 0.000 0.975 469 Q CA -0.434 55.419 55.803 0.084 0.000 0.912 469 Q CB 0.841 29.609 28.738 0.050 0.000 1.212 469 Q HN 0.966 nan 8.270 nan 0.000 0.452 470 L N 3.903 125.135 121.223 0.014 0.000 2.371 470 L HA 0.415 4.755 4.340 -0.000 0.000 0.272 470 L C 0.267 177.172 176.870 0.058 0.000 1.124 470 L CA -0.145 54.709 54.840 0.025 0.000 0.816 470 L CB 0.934 42.944 42.059 -0.082 0.000 1.129 470 L HN 0.528 nan 8.230 nan 0.000 0.448 471 R N 2.881 123.402 120.500 0.034 0.000 2.422 471 R HA 0.292 4.632 4.340 -0.000 0.000 0.307 471 R C -1.167 174.940 176.300 -0.321 0.000 1.004 471 R CA -0.522 55.444 56.100 -0.224 0.000 0.882 471 R CB 1.237 31.476 30.300 -0.103 0.000 1.164 471 R HN 0.712 nan 8.270 nan 0.000 0.489 472 c N 3.018 121.303 118.600 -0.525 0.000 2.499 472 c HA 0.363 4.933 4.570 -0.000 0.000 0.386 472 c C 1.023 174.851 174.090 -0.436 0.000 1.293 472 c CA -0.096 55.837 56.329 -0.660 0.000 1.884 472 c CB 0.742 42.886 42.510 -0.610 0.000 2.509 472 c HN 0.998 nan 8.230 nan 0.000 0.566 473 S N 2.594 118.127 115.700 -0.279 0.000 2.520 473 S HA 0.484 4.954 4.470 -0.000 0.000 0.219 473 S C 0.553 175.092 174.600 -0.102 0.000 1.028 473 S CA 0.528 58.637 58.200 -0.153 0.000 0.921 473 S CB 0.426 63.571 63.200 -0.092 0.000 0.844 473 S HN 1.214 nan 8.310 nan 0.000 0.495 474 G N 1.171 109.907 108.800 -0.107 0.000 2.342 474 G HA2 0.346 4.306 3.960 -0.000 0.000 0.297 474 G HA3 0.346 4.306 3.960 -0.000 0.000 0.297 474 G C -3.069 171.800 174.900 -0.051 0.000 1.313 474 G CA -0.587 44.488 45.100 -0.042 0.000 0.830 474 G HN -0.170 nan 8.290 nan 0.000 0.506 475 P HA 0.189 nan 4.420 nan 0.000 0.249 475 P C 1.267 178.575 177.300 0.014 0.000 1.229 475 P CA 1.009 64.128 63.100 0.033 0.000 0.788 475 P CB 0.516 32.238 31.700 0.037 0.000 1.072 476 G N 0.371 109.114 108.800 -0.095 0.000 2.504 476 G HA2 0.368 4.328 3.960 -0.000 0.000 0.257 476 G HA3 0.368 4.328 3.960 -0.000 0.000 0.257 476 G C -0.372 174.256 174.900 -0.453 0.000 1.451 476 G CA -0.668 44.297 45.100 -0.225 0.000 1.059 476 G HN 0.032 nan 8.290 nan 0.000 0.550 477 L N 1.326 122.229 121.223 -0.534 0.000 2.380 477 L HA 0.222 4.562 4.340 -0.000 0.000 0.273 477 L C -1.987 174.710 176.870 -0.287 0.000 1.138 477 L CA -1.472 53.019 54.840 -0.581 0.000 0.832 477 L CB 0.980 42.773 42.059 -0.443 0.000 1.124 477 L HN 0.211 nan 8.230 nan 0.000 0.454 478 P HA -0.051 nan 4.420 nan 0.000 0.261 478 P C -0.768 176.434 177.300 -0.162 0.000 1.165 478 P CA 0.617 63.614 63.100 -0.171 0.000 0.759 478 P CB 0.381 32.074 31.700 -0.011 0.000 0.772 479 L N 4.919 125.969 121.223 -0.289 0.000 2.381 479 L HA 0.434 4.774 4.340 -0.000 0.000 0.274 479 L C -1.119 175.591 176.870 -0.266 0.000 0.988 479 L CA -0.882 53.860 54.840 -0.162 0.000 0.824 479 L CB 1.062 43.049 42.059 -0.121 0.000 1.263 479 L HN 0.325 nan 8.230 nan 0.000 0.410 480 Y N 2.081 122.333 120.300 -0.080 0.000 2.328 480 Y HA 0.511 5.061 4.550 -0.000 0.000 0.337 480 Y C 0.548 176.353 175.900 -0.158 0.000 0.966 480 Y CA -0.656 57.380 58.100 -0.107 0.000 1.136 480 Y CB 2.052 40.420 38.460 -0.154 0.000 1.170 480 Y HN 0.497 nan 8.280 nan 0.000 0.470 481 T N 0.833 115.419 114.554 0.053 0.000 2.916 481 T HA 0.726 5.076 4.350 -0.000 0.000 0.292 481 T C -1.394 173.323 174.700 0.029 0.000 1.055 481 T CA -0.919 61.188 62.100 0.012 0.000 1.009 481 T CB 2.122 71.088 68.868 0.162 0.000 1.118 481 T HN 0.372 nan 8.240 nan 0.000 0.497 482 L N 1.572 122.737 121.223 -0.097 0.000 2.341 482 L HA 0.695 5.035 4.340 -0.000 0.000 0.278 482 L C -1.336 175.412 176.870 -0.203 0.000 1.005 482 L CA -0.285 54.518 54.840 -0.063 0.000 0.818 482 L CB 1.277 43.264 42.059 -0.121 0.000 1.259 482 L HN 0.836 nan 8.230 nan 0.000 0.418 483 H N 1.086 119.925 119.070 -0.384 0.000 2.797 483 H HA 0.653 5.209 4.556 -0.000 0.000 0.372 483 H C -0.908 174.217 175.328 -0.339 0.000 1.168 483 H CA -0.712 55.010 56.048 -0.543 0.000 1.163 483 H CB 2.036 31.088 29.762 -1.183 0.000 1.778 483 H HN 0.477 nan 8.280 nan 0.000 0.551 484 S N 0.255 115.928 115.700 -0.045 0.000 2.449 484 S HA 0.268 4.738 4.470 -0.000 0.000 0.310 484 S C 0.457 175.079 174.600 0.036 0.000 1.096 484 S CA -0.551 57.704 58.200 0.091 0.000 1.095 484 S CB 0.741 64.027 63.200 0.143 0.000 1.007 484 S HN 0.629 nan 8.310 nan 0.000 0.474 485 S N 3.776 119.487 115.700 0.017 0.000 2.387 485 S HA -0.075 4.395 4.470 -0.000 0.000 0.226 485 S C 2.006 176.641 174.600 0.058 0.000 1.026 485 S CA 1.078 59.366 58.200 0.147 0.000 0.972 485 S CB -0.460 62.821 63.200 0.134 0.000 0.814 485 S HN 0.666 nan 8.310 nan 0.000 0.477 486 V N 2.605 122.514 119.914 -0.009 0.000 2.250 486 V HA -0.280 3.840 4.120 -0.000 0.000 0.253 486 V C 1.424 177.535 176.094 0.028 0.000 1.065 486 V CA 2.271 64.580 62.300 0.014 0.000 1.039 486 V CB -0.775 31.046 31.823 -0.003 0.000 0.647 486 V HN 0.500 nan 8.190 nan 0.000 0.446 487 N N -1.936 116.780 118.700 0.027 0.000 2.171 487 N HA 0.127 4.867 4.740 -0.000 0.000 0.212 487 N C -0.321 175.210 175.510 0.035 0.000 1.184 487 N CA 0.221 53.287 53.050 0.026 0.000 0.888 487 N CB 0.738 39.238 38.487 0.022 0.000 1.038 487 N HN 0.344 nan 8.380 nan 0.000 0.517 488 D N 0.207 120.649 120.400 0.070 0.000 3.017 488 D HA -0.167 4.473 4.640 -0.000 0.000 0.220 488 D C -0.423 175.923 176.300 0.076 0.000 1.141 488 D CA 0.838 54.911 54.000 0.122 0.000 0.848 488 D CB -0.864 40.002 40.800 0.110 0.000 1.102 488 D HN 0.344 nan 8.370 nan 0.000 0.427 489 K N 0.796 121.211 120.400 0.025 0.000 2.322 489 K HA 0.372 4.692 4.320 -0.000 0.000 0.283 489 K C 0.995 177.531 176.600 -0.106 0.000 1.042 489 K CA 0.059 56.333 56.287 -0.023 0.000 0.958 489 K CB 0.906 33.393 32.500 -0.021 0.000 0.984 489 K HN 0.120 nan 8.250 nan 0.000 0.473 490 G N 2.955 111.640 108.800 -0.192 0.000 2.441 490 G HA2 0.104 4.064 3.960 -0.000 0.000 0.243 490 G HA3 0.104 4.064 3.960 -0.000 0.000 0.243 490 G C 0.722 175.445 174.900 -0.295 0.000 1.281 490 G CA -0.297 44.530 45.100 -0.455 0.000 0.854 490 G HN 0.632 nan 8.290 nan 0.000 0.560 491 L N 0.928 121.952 121.223 -0.332 0.000 2.349 491 L HA 0.411 4.751 4.340 -0.000 0.000 0.200 491 L C 1.366 178.142 176.870 -0.157 0.000 1.064 491 L CA 0.385 55.115 54.840 -0.184 0.000 0.821 491 L CB 0.282 42.255 42.059 -0.143 0.000 1.027 491 L HN 0.482 nan 8.230 nan 0.000 0.476 492 R N -0.891 119.490 120.500 -0.198 0.000 2.579 492 R HA 0.369 4.709 4.340 -0.000 0.000 0.260 492 R C -1.497 174.693 176.300 -0.183 0.000 1.103 492 R CA -0.460 55.548 56.100 -0.154 0.000 0.942 492 R CB 2.194 32.414 30.300 -0.133 0.000 1.251 492 R HN -0.270 nan 8.270 nan 0.000 0.450 493 V N 5.668 125.495 119.914 -0.144 0.000 2.614 493 V HA 0.145 4.265 4.120 -0.000 0.000 0.291 493 V C 1.030 177.005 176.094 -0.199 0.000 1.049 493 V CA 0.200 62.417 62.300 -0.138 0.000 1.038 493 V CB 1.411 33.182 31.823 -0.086 0.000 0.980 493 V HN 0.730 nan 8.190 nan 0.000 0.481 494 L N 2.094 123.145 121.223 -0.285 0.000 2.467 494 L HA 0.403 4.743 4.340 -0.000 0.000 0.213 494 L C 0.481 177.120 176.870 -0.384 0.000 1.053 494 L CA 0.377 54.879 54.840 -0.565 0.000 0.847 494 L CB 0.344 41.713 42.059 -1.151 0.000 1.075 494 L HN 0.643 nan 8.230 nan 0.000 0.479 495 E N 0.231 120.331 120.200 -0.167 0.000 2.311 495 E HA 0.136 4.486 4.350 -0.000 0.000 0.281 495 E C -1.255 175.396 176.600 0.086 0.000 0.905 495 E CA -0.350 56.048 56.400 -0.003 0.000 0.778 495 E CB 1.256 30.953 29.700 -0.006 0.000 1.240 495 E HN 0.165 nan 8.360 nan 0.000 0.410 496 D N 2.872 123.301 120.400 0.047 0.000 2.469 496 D HA 0.132 4.772 4.640 -0.000 0.000 0.213 496 D C -0.328 175.983 176.300 0.018 0.000 1.135 496 D CA -0.288 53.728 54.000 0.028 0.000 0.834 496 D CB -0.047 40.748 40.800 -0.007 0.000 1.009 496 D HN 0.441 nan 8.370 nan 0.000 0.507 497 N N 0.556 119.284 118.700 0.046 0.000 2.727 497 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 497 N C 0.651 176.162 175.510 0.002 0.000 1.048 497 N CA 0.925 53.995 53.050 0.034 0.000 0.714 497 N CB -1.134 37.367 38.487 0.024 0.000 0.959 497 N HN 0.467 nan 8.380 nan 0.000 0.544 498 S N -1.350 114.354 115.700 0.006 0.000 2.436 498 S HA 0.108 4.578 4.470 -0.000 0.000 0.228 498 S C 2.121 176.728 174.600 0.011 0.000 1.014 498 S CA 0.577 58.775 58.200 -0.003 0.000 0.950 498 S CB 0.030 63.229 63.200 -0.002 0.000 0.784 498 S HN 0.519 nan 8.310 nan 0.000 0.504 499 A N 2.620 125.458 122.820 0.030 0.000 1.873 499 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 499 A C 2.185 179.802 177.584 0.055 0.000 1.193 499 A CA 1.567 53.632 52.037 0.047 0.000 0.629 499 A CB -1.026 18.010 19.000 0.060 0.000 0.826 499 A HN 0.503 nan 8.150 nan 0.000 0.447 500 L N -0.744 120.513 121.223 0.057 0.000 2.083 500 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 500 L C 2.234 179.101 176.870 -0.004 0.000 1.083 500 L CA 2.408 57.283 54.840 0.060 0.000 0.752 500 L CB -0.466 41.635 42.059 0.070 0.000 0.899 500 L HN 0.481 nan 8.230 nan 0.000 0.433 501 D N -0.084 120.299 120.400 -0.030 0.000 2.097 501 D HA -0.206 4.434 4.640 -0.000 0.000 0.197 501 D C 2.168 178.446 176.300 -0.037 0.000 0.984 501 D CA 1.320 55.285 54.000 -0.058 0.000 0.826 501 D CB 0.173 40.935 40.800 -0.064 0.000 0.973 501 D HN 0.128 nan 8.370 nan 0.000 0.460 502 K N -0.501 119.894 120.400 -0.010 0.000 2.020 502 K HA -0.172 4.148 4.320 -0.000 0.000 0.212 502 K C 2.329 178.936 176.600 0.011 0.000 1.050 502 K CA 1.464 57.754 56.287 0.006 0.000 0.929 502 K CB -0.179 32.335 32.500 0.022 0.000 0.714 502 K HN 0.231 nan 8.250 nan 0.000 0.443 503 M N 0.559 120.176 119.600 0.028 0.000 2.080 503 M HA -0.217 4.263 4.480 -0.000 0.000 0.260 503 M C 2.158 178.406 176.300 -0.085 0.000 1.068 503 M CA 1.568 56.892 55.300 0.040 0.000 1.109 503 M CB -0.316 32.372 32.600 0.147 0.000 1.342 503 M HN 0.179 nan 8.290 nan 0.000 0.405 504 L N -0.456 120.679 121.223 -0.147 0.000 2.275 504 L HA -0.204 4.136 4.340 -0.000 0.000 0.215 504 L C 2.358 179.166 176.870 -0.102 0.000 1.119 504 L CA 1.014 55.733 54.840 -0.202 0.000 0.790 504 L CB -0.438 41.526 42.059 -0.158 0.000 0.919 504 L HN 0.415 nan 8.230 nan 0.000 0.443 505 Q N -0.031 119.736 119.800 -0.056 0.000 2.226 505 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 505 Q C 1.360 177.358 176.000 -0.004 0.000 0.975 505 Q CA 1.231 57.020 55.803 -0.025 0.000 0.866 505 Q CB 0.168 28.899 28.738 -0.011 0.000 0.915 505 Q HN 0.485 nan 8.270 nan 0.000 0.440 506 N N -0.469 118.232 118.700 0.002 0.000 2.398 506 N HA 0.016 4.756 4.740 -0.000 0.000 0.188 506 N C -0.205 175.335 175.510 0.050 0.000 1.122 506 N CA 0.192 53.264 53.050 0.036 0.000 0.866 506 N CB 0.886 39.409 38.487 0.060 0.000 0.970 506 N HN 0.083 nan 8.380 nan 0.000 0.462 507 V N -0.061 119.864 119.914 0.018 0.000 2.680 507 V HA 0.288 4.408 4.120 -0.000 0.000 0.309 507 V C -0.531 175.584 176.094 0.034 0.000 1.052 507 V CA -0.856 61.475 62.300 0.050 0.000 0.908 507 V CB 2.178 34.037 31.823 0.060 0.000 1.001 507 V HN -0.025 nan 8.190 nan 0.000 0.431 508 Q N 5.825 125.662 119.800 0.061 0.000 2.815 508 Q HA 0.281 4.621 4.340 -0.000 0.000 0.235 508 Q C -0.355 175.641 176.000 -0.007 0.000 1.354 508 Q CA -0.185 55.626 55.803 0.013 0.000 0.953 508 Q CB 0.278 29.041 28.738 0.043 0.000 1.613 508 Q HN 0.640 nan 8.270 nan 0.000 0.572 509 M N 3.503 123.081 119.600 -0.036 0.000 2.228 509 M HA 0.199 4.679 4.480 -0.000 0.000 0.351 509 M C -1.862 174.387 176.300 -0.085 0.000 1.233 509 M CA -2.162 53.106 55.300 -0.054 0.000 1.129 509 M CB -0.244 32.324 32.600 -0.054 0.000 1.604 509 M HN 0.264 nan 8.290 nan 0.000 0.457 510 P HA 0.202 nan 4.420 nan 0.000 0.274 510 P C -0.625 176.609 177.300 -0.110 0.000 1.260 510 P CA -0.324 62.708 63.100 -0.113 0.000 0.793 510 P CB 0.549 32.176 31.700 -0.123 0.000 1.048 511 S N -1.174 114.446 115.700 -0.134 0.000 2.671 511 S HA 0.595 5.065 4.470 -0.000 0.000 0.299 511 S C -0.768 173.750 174.600 -0.138 0.000 1.116 511 S CA -0.827 57.304 58.200 -0.115 0.000 0.912 511 S CB 1.971 65.101 63.200 -0.117 0.000 1.130 511 S HN 0.479 nan 8.310 nan 0.000 0.501 512 K N 0.837 121.179 120.400 -0.097 0.000 2.413 512 K HA 0.385 4.705 4.320 -0.000 0.000 0.257 512 K C -1.226 175.334 176.600 -0.066 0.000 0.946 512 K CA -0.502 55.738 56.287 -0.078 0.000 0.823 512 K CB 1.262 33.742 32.500 -0.034 0.000 1.109 512 K HN 0.673 nan 8.250 nan 0.000 0.427 513 K N 5.168 125.525 120.400 -0.072 0.000 2.213 513 K HA 0.322 4.642 4.320 -0.000 0.000 0.270 513 K C -1.210 175.405 176.600 0.025 0.000 1.002 513 K CA -0.605 55.662 56.287 -0.034 0.000 0.868 513 K CB 0.924 33.390 32.500 -0.056 0.000 1.093 513 K HN 0.546 nan 8.250 nan 0.000 0.454 514 L N 4.830 126.071 121.223 0.030 0.000 2.377 514 L HA 0.380 4.720 4.340 -0.000 0.000 0.270 514 L C -1.260 175.664 176.870 0.090 0.000 0.991 514 L CA -0.180 54.706 54.840 0.076 0.000 0.851 514 L CB 1.092 43.238 42.059 0.144 0.000 1.218 514 L HN 0.804 nan 8.230 nan 0.000 0.420 515 D N 3.014 123.282 120.400 -0.220 0.000 2.895 515 D HA 0.530 5.170 4.640 -0.000 0.000 0.320 515 D C -1.490 174.349 176.300 -0.767 0.000 1.249 515 D CA 0.027 53.753 54.000 -0.456 0.000 0.997 515 D CB 2.462 42.998 40.800 -0.441 0.000 1.430 515 D HN 0.201 nan 8.370 nan 0.000 0.558 516 F N -0.041 119.479 119.950 -0.716 0.000 2.613 516 F HA 0.654 5.181 4.527 -0.000 0.000 0.310 516 F C -0.504 175.311 175.800 0.026 0.000 1.085 516 F CA -1.085 56.596 58.000 -0.532 0.000 0.945 516 F CB 0.798 39.086 39.000 -1.187 0.000 1.298 516 F HN 0.240 nan 8.300 nan 0.000 0.455 517 I N 0.397 121.260 120.570 0.487 0.000 2.982 517 I HA 0.680 4.850 4.170 -0.000 0.000 0.312 517 I C -1.071 175.295 176.117 0.415 0.000 1.041 517 I CA -1.250 60.287 61.300 0.395 0.000 1.053 517 I CB 2.103 40.309 38.000 0.343 0.000 1.248 517 I HN 0.419 nan 8.210 nan 0.000 0.471 518 I N 3.577 124.325 120.570 0.297 0.000 2.378 518 I HA 0.503 4.673 4.170 -0.000 0.000 0.291 518 I C -0.610 175.655 176.117 0.247 0.000 0.992 518 I CA -0.610 60.839 61.300 0.249 0.000 1.154 518 I CB 1.264 39.365 38.000 0.168 0.000 1.315 518 I HN 0.439 nan 8.210 nan 0.000 0.448 519 L N 6.177 127.596 121.223 0.326 0.000 2.385 519 L HA 0.465 4.805 4.340 -0.000 0.000 0.273 519 L C 0.036 177.043 176.870 0.227 0.000 0.990 519 L CA -0.311 54.694 54.840 0.274 0.000 0.821 519 L CB 1.232 43.504 42.059 0.356 0.000 1.279 519 L HN 0.455 nan 8.230 nan 0.000 0.412 520 N N 3.257 122.032 118.700 0.126 0.000 2.698 520 N HA -0.254 4.486 4.740 -0.000 0.000 0.258 520 N C 0.011 175.568 175.510 0.078 0.000 0.978 520 N CA 1.321 54.422 53.050 0.085 0.000 0.777 520 N CB -0.907 37.621 38.487 0.069 0.000 0.907 520 N HN 0.824 nan 8.380 nan 0.000 0.543 521 E N -4.257 115.984 120.200 0.068 0.000 3.286 521 E HA -0.239 4.111 4.350 -0.000 0.000 0.292 521 E C -0.614 175.986 176.600 0.000 0.000 0.928 521 E CA 1.313 57.734 56.400 0.035 0.000 0.982 521 E CB -1.755 27.955 29.700 0.017 0.000 1.500 521 E HN 0.532 nan 8.360 nan 0.000 0.441 522 T N 0.469 115.026 114.554 0.005 0.000 2.863 522 T HA 0.408 4.758 4.350 -0.000 0.000 0.285 522 T C -0.082 174.458 174.700 -0.268 0.000 1.009 522 T CA -0.808 61.184 62.100 -0.180 0.000 0.989 522 T CB 2.034 70.717 68.868 -0.310 0.000 1.004 522 T HN -0.009 nan 8.240 nan 0.000 0.455 523 K N 1.507 121.668 120.400 -0.397 0.000 2.298 523 K HA 0.473 4.793 4.320 -0.000 0.000 0.280 523 K C -1.209 175.091 176.600 -0.500 0.000 1.032 523 K CA -0.065 56.000 56.287 -0.372 0.000 0.958 523 K CB 0.409 32.555 32.500 -0.589 0.000 0.978 523 K HN 0.394 nan 8.250 nan 0.000 0.472 524 F N 2.244 122.253 119.950 0.099 0.000 2.617 524 F HA 0.251 4.778 4.527 -0.000 0.000 0.325 524 F C -0.814 175.092 175.800 0.177 0.000 1.179 524 F CA -0.815 57.267 58.000 0.137 0.000 0.965 524 F CB 0.800 39.922 39.000 0.203 0.000 1.232 524 F HN 0.455 nan 8.300 nan 0.000 0.461 525 W N 3.752 125.187 121.300 0.225 0.000 2.184 525 W HA 0.451 5.111 4.660 -0.000 0.000 0.338 525 W C -0.347 176.320 176.519 0.246 0.000 1.257 525 W CA -0.366 57.095 57.345 0.194 0.000 1.243 525 W CB 0.259 29.783 29.460 0.105 0.000 1.122 525 W HN 0.467 nan 8.180 nan 0.000 0.585 526 Y N -0.733 119.912 120.300 0.575 0.000 2.609 526 Y HA 0.627 5.177 4.550 -0.000 0.000 0.342 526 Y C -0.759 175.380 175.900 0.398 0.000 1.058 526 Y CA -1.899 56.536 58.100 0.558 0.000 1.055 526 Y CB 0.994 39.962 38.460 0.847 0.000 1.292 526 Y HN 0.565 nan 8.280 nan 0.000 0.476 527 Q N 2.072 122.168 119.800 0.493 0.000 2.348 527 Q HA 0.721 5.061 4.340 -0.000 0.000 0.271 527 Q C -1.535 174.633 176.000 0.280 0.000 1.067 527 Q CA -1.187 54.801 55.803 0.309 0.000 0.839 527 Q CB 3.155 32.001 28.738 0.180 0.000 1.354 527 Q HN 0.865 nan 8.270 nan 0.000 0.447 528 M N 2.469 122.150 119.600 0.134 0.000 2.197 528 M HA 0.450 4.930 4.480 -0.000 0.000 0.301 528 M C -1.374 174.871 176.300 -0.092 0.000 0.987 528 M CA -0.537 54.748 55.300 -0.025 0.000 0.921 528 M CB 1.976 34.505 32.600 -0.117 0.000 1.569 528 M HN 0.633 nan 8.290 nan 0.000 0.431 529 I N 5.865 126.379 120.570 -0.093 0.000 2.291 529 I HA 0.276 4.446 4.170 -0.000 0.000 0.292 529 I C -0.793 175.200 176.117 -0.206 0.000 1.064 529 I CA -0.370 60.852 61.300 -0.129 0.000 1.269 529 I CB 0.281 38.230 38.000 -0.084 0.000 1.418 529 I HN 0.548 nan 8.210 nan 0.000 0.485 530 L N 8.434 129.478 121.223 -0.298 0.000 2.309 530 L HA 0.483 4.823 4.340 -0.000 0.000 0.282 530 L C -2.290 174.414 176.870 -0.278 0.000 1.036 530 L CA -2.015 52.551 54.840 -0.457 0.000 0.806 530 L CB 0.972 42.530 42.059 -0.834 0.000 1.220 530 L HN 0.251 nan 8.230 nan 0.000 0.429 531 P HA 0.060 nan 4.420 nan 0.000 0.268 531 P C -2.430 174.853 177.300 -0.029 0.000 1.208 531 P CA -0.839 62.228 63.100 -0.056 0.000 0.777 531 P CB -0.220 31.522 31.700 0.070 0.000 0.875 532 P HA -0.038 nan 4.420 nan 0.000 0.270 532 P C -0.457 176.779 177.300 -0.108 0.000 1.223 532 P CA 0.245 63.237 63.100 -0.180 0.000 0.785 532 P CB -0.198 31.345 31.700 -0.262 0.000 0.923 533 H N -2.397 116.717 119.070 0.073 0.000 2.527 533 H HA -0.225 4.331 4.556 -0.000 0.000 0.321 533 H C 0.050 175.448 175.328 0.118 0.000 1.092 533 H CA -0.114 55.981 56.048 0.077 0.000 1.118 533 H CB -2.397 27.399 29.762 0.056 0.000 1.536 533 H HN 0.312 nan 8.280 nan 0.000 0.407 534 F N 1.887 121.839 119.950 0.003 0.000 2.572 534 F HA 0.124 4.651 4.527 -0.000 0.000 0.370 534 F C 0.561 176.376 175.800 0.026 0.000 1.103 534 F CA -0.103 57.856 58.000 -0.068 0.000 1.286 534 F CB 0.605 39.440 39.000 -0.276 0.000 1.105 534 F HN 0.320 nan 8.300 nan 0.000 0.583 535 D N 6.300 126.325 120.400 -0.625 0.000 2.471 535 D HA 0.074 4.714 4.640 -0.000 0.000 0.245 535 D C 0.649 176.561 176.300 -0.648 0.000 1.116 535 D CA -0.385 53.353 54.000 -0.437 0.000 0.853 535 D CB 1.351 42.059 40.800 -0.155 0.000 1.123 535 D HN 0.742 nan 8.370 nan 0.000 0.540 536 K N 1.848 121.978 120.400 -0.449 0.000 2.280 536 K HA -0.128 4.192 4.320 -0.000 0.000 0.202 536 K C 1.134 177.756 176.600 0.037 0.000 1.047 536 K CA 1.291 57.490 56.287 -0.145 0.000 0.942 536 K CB 0.030 32.566 32.500 0.060 0.000 0.739 536 K HN 0.241 nan 8.250 nan 0.000 0.457 537 S N -0.082 115.599 115.700 -0.031 0.000 2.470 537 S HA 0.050 4.520 4.470 -0.000 0.000 0.225 537 S C 0.719 175.305 174.600 -0.024 0.000 1.006 537 S CA -0.188 58.009 58.200 -0.005 0.000 0.934 537 S CB 0.006 63.195 63.200 -0.019 0.000 0.778 537 S HN 0.227 nan 8.310 nan 0.000 0.517 538 K N 1.603 121.962 120.400 -0.069 0.000 2.168 538 K HA 0.279 4.599 4.320 -0.000 0.000 0.258 538 K C -0.387 176.180 176.600 -0.056 0.000 1.010 538 K CA -0.064 56.142 56.287 -0.135 0.000 0.929 538 K CB 0.498 32.816 32.500 -0.304 0.000 0.998 538 K HN 0.161 nan 8.250 nan 0.000 0.479 539 K N 3.059 123.379 120.400 -0.133 0.000 2.316 539 K HA 0.195 4.515 4.320 -0.000 0.000 0.267 539 K C -1.064 175.461 176.600 -0.125 0.000 1.025 539 K CA -0.460 55.804 56.287 -0.039 0.000 0.896 539 K CB 0.845 33.312 32.500 -0.055 0.000 1.124 539 K HN 0.394 nan 8.250 nan 0.000 0.451 540 Y N 2.992 123.303 120.300 0.019 0.000 2.376 540 Y HA 0.227 4.777 4.550 -0.000 0.000 0.325 540 Y C -1.826 174.010 175.900 -0.107 0.000 1.199 540 Y CA -2.324 55.773 58.100 -0.005 0.000 1.206 540 Y CB 0.621 39.154 38.460 0.123 0.000 1.229 540 Y HN 0.468 nan 8.280 nan 0.000 0.480 541 P HA 0.190 nan 4.420 nan 0.000 0.279 541 P C -1.183 175.976 177.300 -0.236 0.000 1.239 541 P CA -0.223 62.597 63.100 -0.465 0.000 0.789 541 P CB 1.426 32.536 31.700 -0.983 0.000 0.933 542 L N 3.519 124.633 121.223 -0.180 0.000 2.356 542 L HA 0.455 4.795 4.340 -0.000 0.000 0.277 542 L C -0.803 176.267 176.870 0.333 0.000 0.996 542 L CA -0.924 53.972 54.840 0.093 0.000 0.822 542 L CB 1.266 43.381 42.059 0.093 0.000 1.256 542 L HN 0.254 nan 8.230 nan 0.000 0.413 543 L N 5.657 127.103 121.223 0.371 0.000 2.257 543 L HA 0.365 4.705 4.340 -0.000 0.000 0.290 543 L C -0.682 176.435 176.870 0.411 0.000 1.044 543 L CA -0.827 54.281 54.840 0.445 0.000 0.810 543 L CB 1.499 43.780 42.059 0.370 0.000 1.193 543 L HN 0.597 nan 8.230 nan 0.000 0.425 544 L N 5.215 126.722 121.223 0.473 0.000 2.325 544 L HA 0.229 4.569 4.340 -0.000 0.000 0.284 544 L C -0.148 176.952 176.870 0.382 0.000 1.089 544 L CA 0.222 55.327 54.840 0.443 0.000 0.836 544 L CB 0.609 42.977 42.059 0.515 0.000 1.184 544 L HN 0.442 nan 8.230 nan 0.000 0.444 545 D N 4.420 125.018 120.400 0.330 0.000 2.347 545 D HA 0.189 4.829 4.640 -0.000 0.000 0.235 545 D C -0.974 175.405 176.300 0.131 0.000 1.149 545 D CA 0.078 54.189 54.000 0.184 0.000 0.850 545 D CB 1.291 42.251 40.800 0.266 0.000 1.061 545 D HN 0.344 nan 8.370 nan 0.000 0.487 546 V N 5.812 125.735 119.914 0.016 0.000 2.555 546 V HA 0.356 4.476 4.120 -0.000 0.000 0.302 546 V C -0.696 175.473 176.094 0.125 0.000 1.038 546 V CA -0.401 61.963 62.300 0.106 0.000 0.887 546 V CB 1.615 33.495 31.823 0.094 0.000 0.991 546 V HN 0.615 nan 8.190 nan 0.000 0.434 547 Y N 5.798 126.153 120.300 0.091 0.000 2.808 547 Y HA 0.531 5.081 4.550 -0.000 0.000 0.244 547 Y C 1.711 177.722 175.900 0.184 0.000 1.033 547 Y CA 1.488 59.664 58.100 0.128 0.000 1.415 547 Y CB 0.129 38.653 38.460 0.106 0.000 1.420 547 Y HN 1.024 nan 8.280 nan 0.000 0.484 548 A N 0.554 123.499 122.820 0.208 0.000 2.979 548 A HA -0.183 4.137 4.320 -0.000 0.000 0.260 548 A C 1.090 178.549 177.584 -0.208 0.000 1.282 548 A CA 0.910 53.002 52.037 0.092 0.000 0.971 548 A CB -2.527 16.565 19.000 0.154 0.000 1.124 548 A HN 0.910 nan 8.150 nan 0.000 0.826 549 G N -0.842 107.610 108.800 -0.581 0.000 2.684 549 G HA2 0.458 4.418 3.960 -0.000 0.000 0.255 549 G HA3 0.458 4.418 3.960 -0.000 0.000 0.255 549 G C -2.208 172.414 174.900 -0.464 0.000 1.219 549 G CA -0.509 43.866 45.100 -1.208 0.000 0.901 549 G HN 0.347 nan 8.290 nan 0.000 0.548 550 P HA 0.147 nan 4.420 nan 0.000 0.271 550 P C 0.500 177.679 177.300 -0.202 0.000 1.216 550 P CA -0.077 62.779 63.100 -0.406 0.000 0.771 550 P CB 0.950 32.061 31.700 -0.982 0.000 0.864 551 C N 1.949 121.192 119.300 -0.095 0.000 4.397 551 C HA -0.158 4.302 4.460 -0.000 0.000 0.291 551 C C 0.926 175.931 174.990 0.024 0.000 1.408 551 C CA 1.054 59.984 59.018 -0.147 0.000 1.971 551 C CB -2.648 24.904 27.740 -0.313 0.000 1.258 551 C HN 0.681 nan 8.230 nan 0.000 0.795 552 S N -0.259 115.516 115.700 0.126 0.000 2.632 552 S HA 0.560 5.030 4.470 -0.000 0.000 0.271 552 S C -0.348 174.411 174.600 0.264 0.000 1.260 552 S CA 0.064 58.418 58.200 0.256 0.000 1.010 552 S CB 1.314 64.719 63.200 0.341 0.000 0.965 552 S HN 0.681 nan 8.310 nan 0.000 0.534 553 Q N 2.106 122.096 119.800 0.317 0.000 2.337 553 Q HA 0.336 4.676 4.340 -0.000 0.000 0.260 553 Q C -0.333 175.787 176.000 0.200 0.000 0.982 553 Q CA -0.662 55.311 55.803 0.284 0.000 0.734 553 Q CB 0.607 29.566 28.738 0.368 0.000 1.272 553 Q HN 0.434 nan 8.270 nan 0.000 0.461 554 K N 1.079 121.595 120.400 0.192 0.000 2.352 554 K HA 0.271 4.591 4.320 -0.000 0.000 0.194 554 K C -0.133 176.568 176.600 0.168 0.000 1.038 554 K CA 0.359 56.751 56.287 0.175 0.000 1.023 554 K CB 1.017 33.644 32.500 0.212 0.000 0.840 554 K HN 0.516 nan 8.250 nan 0.000 0.519 555 A N 2.879 125.807 122.820 0.180 0.000 2.341 555 A HA 0.384 4.704 4.320 -0.000 0.000 0.326 555 A C -0.664 176.982 177.584 0.104 0.000 1.402 555 A CA -0.552 51.592 52.037 0.178 0.000 0.957 555 A CB 0.026 19.186 19.000 0.267 0.000 1.151 555 A HN 0.254 nan 8.150 nan 0.000 0.533 556 D N -0.049 120.393 120.400 0.070 0.000 2.798 556 D HA 0.468 5.108 4.640 -0.000 0.000 0.308 556 D C 0.386 176.704 176.300 0.030 0.000 1.187 556 D CA 0.295 54.325 54.000 0.050 0.000 1.033 556 D CB 0.373 41.216 40.800 0.071 0.000 1.445 556 D HN 0.163 nan 8.370 nan 0.000 0.550 557 T N -2.421 112.172 114.554 0.064 0.000 3.176 557 T HA 0.328 4.678 4.350 -0.000 0.000 0.263 557 T C 0.595 175.278 174.700 -0.030 0.000 1.021 557 T CA -0.120 62.012 62.100 0.053 0.000 0.905 557 T CB -0.773 68.164 68.868 0.114 0.000 1.057 557 T HN 0.554 nan 8.240 nan 0.000 0.558 558 V N 0.694 120.484 119.914 -0.206 0.000 2.834 558 V HA 0.661 4.781 4.120 -0.000 0.000 0.301 558 V C -0.298 175.750 176.094 -0.076 0.000 1.066 558 V CA -1.281 60.864 62.300 -0.257 0.000 1.052 558 V CB 0.761 32.248 31.823 -0.561 0.000 1.021 558 V HN 0.395 nan 8.190 nan 0.000 0.480 559 F N 6.348 126.199 119.950 -0.164 0.000 2.411 559 F HA 0.662 5.189 4.527 -0.000 0.000 0.355 559 F C 0.387 176.129 175.800 -0.098 0.000 1.117 559 F CA -0.351 57.580 58.000 -0.116 0.000 1.139 559 F CB 0.425 39.364 39.000 -0.102 0.000 1.120 559 F HN 0.610 nan 8.300 nan 0.000 0.493 560 R N 6.252 126.316 120.500 -0.728 0.000 2.740 560 R HA 0.620 4.960 4.340 -0.000 0.000 0.282 560 R C -1.513 174.346 176.300 -0.734 0.000 0.969 560 R CA -1.109 54.658 56.100 -0.554 0.000 0.918 560 R CB 2.121 32.259 30.300 -0.270 0.000 1.175 560 R HN 0.658 nan 8.270 nan 0.000 0.464 561 L N 3.707 124.686 121.223 -0.405 0.000 2.324 561 L HA 0.425 4.765 4.340 -0.000 0.000 0.274 561 L C -0.178 176.666 176.870 -0.044 0.000 1.012 561 L CA -0.400 54.279 54.840 -0.268 0.000 0.859 561 L CB 0.453 42.461 42.059 -0.086 0.000 1.224 561 L HN 0.790 nan 8.230 nan 0.000 0.429 562 N N -0.319 118.276 118.700 -0.174 0.000 3.343 562 N HA 0.195 4.935 4.740 -0.000 0.000 0.330 562 N C 0.206 175.412 175.510 -0.507 0.000 1.560 562 N CA -0.911 51.916 53.050 -0.372 0.000 0.752 562 N CB 0.784 39.198 38.487 -0.122 0.000 1.863 562 N HN 0.317 nan 8.380 nan 0.000 0.636 563 W N 0.987 121.779 121.300 -0.847 0.000 2.321 563 W HA -0.021 4.639 4.660 -0.000 0.000 0.306 563 W C 2.362 178.889 176.519 0.013 0.000 1.217 563 W CA 2.577 59.673 57.345 -0.415 0.000 1.257 563 W CB -0.890 28.501 29.460 -0.115 0.000 1.145 563 W HN 0.718 nan 8.180 nan 0.000 0.509 564 A N -0.539 122.299 122.820 0.030 0.000 1.972 564 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 564 A C 1.929 179.450 177.584 -0.106 0.000 1.169 564 A CA 2.501 54.493 52.037 -0.074 0.000 0.635 564 A CB -1.299 17.735 19.000 0.056 0.000 0.810 564 A HN 0.324 nan 8.150 nan 0.000 0.446 565 T N -1.033 113.462 114.554 -0.098 0.000 2.665 565 T HA -0.264 4.086 4.350 -0.000 0.000 0.268 565 T C 1.814 176.559 174.700 0.075 0.000 1.035 565 T CA 1.837 63.856 62.100 -0.136 0.000 1.151 565 T CB -0.559 68.069 68.868 -0.400 0.000 0.862 565 T HN 0.722 nan 8.240 nan 0.000 0.438 566 Y N 2.044 122.431 120.300 0.144 0.000 2.200 566 Y HA 0.059 4.609 4.550 -0.000 0.000 0.290 566 Y C 1.929 177.835 175.900 0.010 0.000 1.137 566 Y CA 0.848 59.075 58.100 0.212 0.000 1.163 566 Y CB -0.692 37.880 38.460 0.186 0.000 0.988 566 Y HN 0.104 nan 8.280 nan 0.000 0.518 567 L N 0.258 121.099 121.223 -0.637 0.000 2.265 567 L HA -0.129 4.211 4.340 -0.000 0.000 0.215 567 L C 2.625 179.262 176.870 -0.388 0.000 1.117 567 L CA 1.063 55.449 54.840 -0.757 0.000 0.782 567 L CB -0.678 41.009 42.059 -0.621 0.000 0.914 567 L HN 0.442 nan 8.230 nan 0.000 0.441 568 A N -1.435 121.241 122.820 -0.239 0.000 1.901 568 A HA -0.092 4.228 4.320 -0.000 0.000 0.210 568 A C 2.445 179.985 177.584 -0.073 0.000 1.208 568 A CA 1.133 53.095 52.037 -0.125 0.000 0.644 568 A CB -0.436 18.494 19.000 -0.117 0.000 0.863 568 A HN 0.253 nan 8.150 nan 0.000 0.454 569 S N -0.820 114.853 115.700 -0.045 0.000 2.383 569 S HA -0.104 4.366 4.470 -0.000 0.000 0.227 569 S C 1.839 176.465 174.600 0.043 0.000 1.026 569 S CA 2.317 60.537 58.200 0.033 0.000 0.981 569 S CB -0.286 62.998 63.200 0.141 0.000 0.818 569 S HN 0.543 nan 8.310 nan 0.000 0.472 570 T N 0.569 115.109 114.554 -0.023 0.000 3.042 570 T HA 0.241 4.591 4.350 -0.000 0.000 0.245 570 T C 1.169 175.830 174.700 -0.065 0.000 1.029 570 T CA 0.315 62.414 62.100 -0.003 0.000 1.120 570 T CB -0.037 68.888 68.868 0.095 0.000 0.917 570 T HN 0.202 nan 8.240 nan 0.000 0.467 571 E N 1.538 121.613 120.200 -0.208 0.000 2.463 571 E HA 0.204 4.554 4.350 -0.000 0.000 0.193 571 E C 0.149 176.738 176.600 -0.018 0.000 1.041 571 E CA -0.233 56.092 56.400 -0.125 0.000 0.879 571 E CB -0.319 29.247 29.700 -0.224 0.000 0.997 571 E HN 0.278 nan 8.360 nan 0.000 0.478 572 N N 0.874 119.584 118.700 0.017 0.000 2.708 572 N HA -0.236 4.504 4.740 -0.000 0.000 0.251 572 N C -0.531 175.091 175.510 0.186 0.000 1.017 572 N CA 0.720 53.857 53.050 0.146 0.000 0.742 572 N CB -1.276 37.339 38.487 0.213 0.000 0.943 572 N HN 0.300 nan 8.380 nan 0.000 0.539 573 I N 0.925 121.532 120.570 0.062 0.000 2.359 573 I HA 0.286 4.456 4.170 -0.000 0.000 0.294 573 I C 1.041 177.175 176.117 0.028 0.000 0.987 573 I CA -0.645 60.702 61.300 0.078 0.000 1.225 573 I CB 1.178 39.231 38.000 0.089 0.000 1.366 573 I HN -0.038 nan 8.210 nan 0.000 0.466 574 I N 6.679 127.275 120.570 0.043 0.000 2.471 574 I HA 0.123 4.293 4.170 -0.000 0.000 0.286 574 I C -0.387 175.745 176.117 0.024 0.000 1.079 574 I CA -0.358 60.925 61.300 -0.029 0.000 1.398 574 I CB 0.755 38.737 38.000 -0.031 0.000 1.403 574 I HN 0.194 nan 8.210 nan 0.000 0.530 575 V N 6.661 126.576 119.914 0.001 0.000 2.347 575 V HA 0.582 4.702 4.120 -0.000 0.000 0.280 575 V C 0.391 176.535 176.094 0.084 0.000 1.021 575 V CA -0.507 61.842 62.300 0.082 0.000 0.847 575 V CB 1.069 32.941 31.823 0.081 0.000 0.990 575 V HN 0.827 nan 8.190 nan 0.000 0.444 576 A N 4.012 126.918 122.820 0.144 0.000 2.337 576 A HA 0.891 5.211 4.320 -0.000 0.000 0.329 576 A C -0.052 177.720 177.584 0.313 0.000 1.146 576 A CA -0.453 51.672 52.037 0.146 0.000 0.800 576 A CB 1.399 20.380 19.000 -0.032 0.000 1.220 576 A HN 0.704 nan 8.150 nan 0.000 0.472 577 S N 0.411 116.328 115.700 0.362 0.000 2.536 577 S HA 0.770 5.240 4.470 -0.000 0.000 0.298 577 S C -1.199 173.762 174.600 0.601 0.000 1.083 577 S CA -0.338 58.112 58.200 0.417 0.000 0.995 577 S CB 1.300 64.682 63.200 0.303 0.000 1.058 577 S HN 0.745 nan 8.310 nan 0.000 0.488 578 F N 1.640 121.825 119.950 0.393 0.000 2.556 578 F HA 0.472 4.999 4.527 -0.000 0.000 0.314 578 F C -1.465 174.535 175.800 0.333 0.000 1.106 578 F CA -0.742 57.512 58.000 0.423 0.000 0.911 578 F CB 1.443 40.650 39.000 0.345 0.000 1.190 578 F HN 0.377 nan 8.300 nan 0.000 0.448 579 D N 4.512 124.698 120.400 -0.357 0.000 2.428 579 D HA 0.370 5.010 4.640 -0.000 0.000 0.221 579 D C 0.320 176.282 176.300 -0.563 0.000 1.123 579 D CA 0.201 54.058 54.000 -0.238 0.000 0.869 579 D CB 1.481 42.310 40.800 0.048 0.000 1.032 579 D HN 0.790 nan 8.370 nan 0.000 0.506 580 G N 1.479 110.072 108.800 -0.344 0.000 2.702 580 G HA2 0.327 4.287 3.960 -0.000 0.000 0.254 580 G HA3 0.327 4.287 3.960 -0.000 0.000 0.254 580 G C 0.176 175.081 174.900 0.008 0.000 1.380 580 G CA -0.700 44.255 45.100 -0.241 0.000 1.042 580 G HN 0.292 nan 8.290 nan 0.000 0.557 581 R N -0.950 119.537 120.500 -0.022 0.000 2.679 581 R HA 0.363 4.703 4.340 -0.000 0.000 0.268 581 R C 1.347 177.744 176.300 0.161 0.000 1.044 581 R CA 1.452 57.645 56.100 0.155 0.000 1.105 581 R CB 0.507 30.879 30.300 0.119 0.000 0.989 581 R HN 1.061 nan 8.270 nan 0.000 0.447 582 G N 0.899 109.797 108.800 0.163 0.000 2.299 582 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.237 582 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.237 582 G C 0.141 175.085 174.900 0.074 0.000 1.027 582 G CA 0.256 45.433 45.100 0.130 0.000 0.619 582 G HN 0.727 nan 8.290 nan 0.000 0.513 583 S N 0.636 116.386 115.700 0.083 0.000 2.584 583 S HA 0.597 5.067 4.470 -0.000 0.000 0.270 583 S C 0.892 175.488 174.600 -0.008 0.000 1.346 583 S CA 0.384 58.621 58.200 0.061 0.000 1.018 583 S CB 1.643 64.907 63.200 0.106 0.000 0.899 583 S HN 1.685 nan 8.310 nan 0.000 0.542 584 G N -0.606 108.138 108.800 -0.094 0.000 2.502 584 G HA2 0.475 4.435 3.960 -0.000 0.000 0.305 584 G HA3 0.475 4.435 3.960 -0.000 0.000 0.305 584 G C -0.795 173.951 174.900 -0.257 0.000 1.190 584 G CA -0.901 43.946 45.100 -0.422 0.000 0.933 584 G HN 1.020 nan 8.290 nan 0.000 0.503 585 Y N -2.562 117.753 120.300 0.026 0.000 4.879 585 Y HA -0.219 4.331 4.550 -0.000 0.000 0.247 585 Y C 1.307 177.225 175.900 0.030 0.000 0.985 585 Y CA 0.990 59.107 58.100 0.028 0.000 2.000 585 Y CB -2.195 36.295 38.460 0.049 0.000 1.519 585 Y HN 0.565 nan 8.280 nan 0.000 0.613 586 Q N 0.480 120.314 119.800 0.057 0.000 2.155 586 Q HA 0.533 4.873 4.340 -0.000 0.000 0.273 586 Q C 0.936 176.847 176.000 -0.148 0.000 0.857 586 Q CA 0.177 56.022 55.803 0.069 0.000 1.116 586 Q CB 1.395 30.176 28.738 0.072 0.000 1.209 586 Q HN 0.587 nan 8.270 nan 0.000 0.460 587 G N 0.811 109.390 108.800 -0.367 0.000 2.758 587 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.686 587 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.686 587 G C -0.416 174.134 174.900 -0.584 0.000 1.389 587 G CA -0.476 44.121 45.100 -0.838 0.000 0.845 587 G HN 0.224 nan 8.290 nan 0.000 0.572 588 D N -0.123 119.889 120.400 -0.646 0.000 2.277 588 D HA -0.002 4.638 4.640 -0.000 0.000 0.208 588 D C 2.186 178.234 176.300 -0.420 0.000 0.962 588 D CA 0.957 54.551 54.000 -0.678 0.000 0.865 588 D CB 0.059 40.390 40.800 -0.782 0.000 0.939 588 D HN 0.525 nan 8.370 nan 0.000 0.510 589 K N 0.179 120.377 120.400 -0.337 0.000 2.097 589 K HA -0.070 4.250 4.320 -0.000 0.000 0.206 589 K C 1.888 178.429 176.600 -0.099 0.000 1.049 589 K CA 0.712 56.892 56.287 -0.179 0.000 0.933 589 K CB 0.089 32.496 32.500 -0.154 0.000 0.717 589 K HN 0.125 nan 8.250 nan 0.000 0.442 590 I N 0.012 120.513 120.570 -0.115 0.000 2.385 590 I HA -0.180 3.990 4.170 -0.000 0.000 0.244 590 I C 2.492 178.618 176.117 0.016 0.000 1.089 590 I CA 0.535 61.841 61.300 0.010 0.000 1.410 590 I CB -0.067 37.953 38.000 0.034 0.000 1.117 590 I HN 0.158 nan 8.210 nan 0.000 0.429 591 M N 0.035 119.578 119.600 -0.096 0.000 2.108 591 M HA -0.270 4.210 4.480 -0.000 0.000 0.261 591 M C 1.987 178.354 176.300 0.112 0.000 1.066 591 M CA 2.071 57.342 55.300 -0.049 0.000 1.107 591 M CB -0.330 32.144 32.600 -0.209 0.000 1.356 591 M HN 0.309 nan 8.290 nan 0.000 0.406 592 H N -1.039 117.974 119.070 -0.096 0.000 2.548 592 H HA 0.158 4.714 4.556 -0.000 0.000 0.265 592 H C 1.930 177.308 175.328 0.084 0.000 0.969 592 H CA 0.175 56.184 56.048 -0.065 0.000 1.155 592 H CB 0.197 29.822 29.762 -0.227 0.000 1.394 592 H HN 0.527 nan 8.280 nan 0.000 0.570 593 A N 1.117 124.061 122.820 0.208 0.000 1.997 593 A HA -0.204 4.116 4.320 -0.000 0.000 0.221 593 A C 2.010 179.822 177.584 0.380 0.000 1.172 593 A CA 1.480 53.653 52.037 0.226 0.000 0.645 593 A CB -0.369 18.723 19.000 0.154 0.000 0.813 593 A HN 0.285 nan 8.150 nan 0.000 0.454 594 I N -0.252 120.514 120.570 0.328 0.000 3.419 594 I HA 0.011 4.181 4.170 -0.000 0.000 0.286 594 I C 0.778 177.005 176.117 0.184 0.000 1.268 594 I CA -0.364 61.089 61.300 0.256 0.000 1.414 594 I CB -0.884 37.234 38.000 0.197 0.000 1.074 594 I HN 0.395 nan 8.210 nan 0.000 0.457 595 N N 1.866 120.718 118.700 0.254 0.000 2.292 595 N HA -0.165 4.575 4.740 -0.000 0.000 0.258 595 N C 0.548 176.109 175.510 0.086 0.000 1.261 595 N CA 0.662 53.845 53.050 0.222 0.000 0.845 595 N CB 0.116 38.689 38.487 0.143 0.000 1.064 595 N HN 0.170 nan 8.380 nan 0.000 0.471 596 R N 0.338 120.869 120.500 0.052 0.000 4.000 596 R HA -0.237 4.103 4.340 -0.000 0.000 0.362 596 R C -0.412 175.837 176.300 -0.086 0.000 1.183 596 R CA 1.098 57.197 56.100 -0.001 0.000 1.011 596 R CB -1.359 28.950 30.300 0.015 0.000 1.501 596 R HN 0.674 nan 8.270 nan 0.000 0.553 597 R N 0.284 120.711 120.500 -0.122 0.000 2.533 597 R HA 0.286 4.626 4.340 -0.000 0.000 0.268 597 R C -0.520 175.739 176.300 -0.069 0.000 1.303 597 R CA -0.256 55.634 56.100 -0.349 0.000 1.429 597 R CB 0.648 30.664 30.300 -0.473 0.000 1.361 597 R HN -0.004 nan 8.270 nan 0.000 0.745 598 L N 0.027 121.302 121.223 0.088 0.000 2.467 598 L HA 0.300 4.640 4.340 -0.000 0.000 0.270 598 L C 1.257 178.357 176.870 0.383 0.000 1.205 598 L CA 0.665 55.599 54.840 0.157 0.000 0.828 598 L CB 0.583 42.576 42.059 -0.110 0.000 1.101 598 L HN 0.638 nan 8.230 nan 0.000 0.479 599 G N 1.380 110.428 108.800 0.413 0.000 2.298 599 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.287 599 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.287 599 G C 0.125 175.096 174.900 0.118 0.000 1.075 599 G CA 0.410 45.666 45.100 0.259 0.000 0.960 599 G HN 0.765 nan 8.290 nan 0.000 0.502 600 T N -1.538 113.044 114.554 0.046 0.000 2.580 600 T HA 0.391 4.741 4.350 -0.000 0.000 0.139 600 T C 1.516 176.177 174.700 -0.064 0.000 0.763 600 T CA 0.548 62.574 62.100 -0.123 0.000 0.761 600 T CB -0.154 68.483 68.868 -0.385 0.000 2.468 600 T HN 0.021 nan 8.240 nan 0.000 0.343 601 F N 3.122 123.107 119.950 0.059 0.000 2.171 601 F HA -0.003 4.524 4.527 -0.000 0.000 0.300 601 F C 2.674 178.501 175.800 0.044 0.000 1.090 601 F CA 1.335 59.360 58.000 0.041 0.000 1.293 601 F CB -0.617 38.408 39.000 0.041 0.000 1.013 601 F HN 0.440 nan 8.300 nan 0.000 0.486 602 E N 0.898 121.238 120.200 0.233 0.000 2.160 602 E HA -0.152 4.197 4.350 -0.000 0.000 0.195 602 E C 2.138 178.821 176.600 0.139 0.000 0.991 602 E CA 1.643 58.152 56.400 0.183 0.000 0.810 602 E CB -1.129 28.684 29.700 0.189 0.000 0.742 602 E HN 0.296 nan 8.360 nan 0.000 0.466 603 V N 1.844 121.812 119.914 0.090 0.000 2.255 603 V HA -0.232 3.888 4.120 -0.000 0.000 0.243 603 V C 2.415 178.528 176.094 0.030 0.000 1.038 603 V CA 2.232 64.543 62.300 0.017 0.000 1.008 603 V CB -0.663 31.123 31.823 -0.061 0.000 0.645 603 V HN 0.233 nan 8.190 nan 0.000 0.449 604 E N 0.182 120.416 120.200 0.057 0.000 2.130 604 E HA -0.266 4.084 4.350 -0.000 0.000 0.196 604 E C 1.868 178.480 176.600 0.019 0.000 0.998 604 E CA 1.610 58.040 56.400 0.050 0.000 0.806 604 E CB -0.234 29.526 29.700 0.099 0.000 0.738 604 E HN 0.585 nan 8.360 nan 0.000 0.459 605 D N 0.222 120.647 120.400 0.043 0.000 2.219 605 D HA -0.109 4.531 4.640 -0.000 0.000 0.205 605 D C 1.917 178.177 176.300 -0.066 0.000 0.970 605 D CA 0.677 54.672 54.000 -0.008 0.000 0.851 605 D CB -0.053 40.785 40.800 0.062 0.000 0.943 605 D HN 0.137 nan 8.370 nan 0.000 0.488 606 Q N 0.100 119.923 119.800 0.038 0.000 2.172 606 Q HA 0.019 4.359 4.340 -0.000 0.000 0.200 606 Q C 2.493 178.497 176.000 0.005 0.000 0.964 606 Q CA 0.375 56.201 55.803 0.039 0.000 0.855 606 Q CB 0.117 28.924 28.738 0.115 0.000 0.918 606 Q HN 0.433 nan 8.270 nan 0.000 0.444 607 I N 0.753 121.345 120.570 0.036 0.000 2.226 607 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 607 I C 2.359 178.414 176.117 -0.102 0.000 1.100 607 I CA 1.159 62.517 61.300 0.095 0.000 1.374 607 I CB -0.199 37.845 38.000 0.074 0.000 1.057 607 I HN 0.142 nan 8.210 nan 0.000 0.413 608 E N 1.656 121.737 120.200 -0.199 0.000 2.072 608 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 608 E C 2.134 178.425 176.600 -0.515 0.000 0.985 608 E CA 1.599 57.825 56.400 -0.290 0.000 0.801 608 E CB -0.192 29.362 29.700 -0.242 0.000 0.750 608 E HN 0.373 nan 8.360 nan 0.000 0.452 609 A N 0.962 123.295 122.820 -0.812 0.000 1.908 609 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 609 A C 2.442 179.290 177.584 -1.227 0.000 1.181 609 A CA 2.356 53.610 52.037 -1.305 0.000 0.627 609 A CB -1.097 16.904 19.000 -1.666 0.000 0.818 609 A HN 0.389 nan 8.150 nan 0.000 0.445 610 A N -0.282 122.178 122.820 -0.601 0.000 1.845 610 A HA -0.175 4.145 4.320 -0.000 0.000 0.215 610 A C 2.205 179.583 177.584 -0.344 0.000 1.195 610 A CA 1.596 53.425 52.037 -0.347 0.000 0.616 610 A CB -0.600 18.245 19.000 -0.257 0.000 0.832 610 A HN 0.531 nan 8.150 nan 0.000 0.443 611 R N -0.766 119.542 120.500 -0.320 0.000 2.134 611 R HA -0.233 4.107 4.340 -0.000 0.000 0.248 611 R C 2.534 178.692 176.300 -0.237 0.000 1.143 611 R CA 2.096 58.049 56.100 -0.246 0.000 0.957 611 R CB -0.370 29.809 30.300 -0.200 0.000 0.867 611 R HN 0.683 nan 8.270 nan 0.000 0.441 612 Q N -0.891 118.714 119.800 -0.325 0.000 2.137 612 Q HA -0.083 4.257 4.340 -0.000 0.000 0.198 612 Q C 1.956 177.851 176.000 -0.175 0.000 0.960 612 Q CA 0.942 56.583 55.803 -0.270 0.000 0.847 612 Q CB 0.056 28.598 28.738 -0.327 0.000 0.915 612 Q HN 0.249 nan 8.270 nan 0.000 0.448 613 F N 0.510 120.308 119.950 -0.253 0.000 2.161 613 F HA -0.184 4.343 4.527 -0.000 0.000 0.300 613 F C 2.595 178.230 175.800 -0.275 0.000 1.089 613 F CA 0.785 58.620 58.000 -0.275 0.000 1.282 613 F CB -1.066 37.800 39.000 -0.224 0.000 1.010 613 F HN -0.023 nan 8.300 nan 0.000 0.485 614 S N -0.204 115.460 115.700 -0.061 0.000 2.359 614 S HA -0.201 4.269 4.470 -0.000 0.000 0.224 614 S C 1.779 176.295 174.600 -0.140 0.000 1.035 614 S CA 1.319 59.448 58.200 -0.119 0.000 1.018 614 S CB -0.238 62.877 63.200 -0.142 0.000 0.876 614 S HN 0.340 nan 8.310 nan 0.000 0.448 615 K N 0.287 120.606 120.400 -0.134 0.000 2.551 615 K HA 0.149 4.469 4.320 -0.000 0.000 0.192 615 K C 0.137 176.649 176.600 -0.148 0.000 1.027 615 K CA 0.225 56.438 56.287 -0.122 0.000 1.059 615 K CB -0.037 32.404 32.500 -0.098 0.000 0.831 615 K HN 0.403 nan 8.250 nan 0.000 0.508 616 M N -0.944 118.515 119.600 -0.235 0.000 2.342 616 M HA 0.183 4.663 4.480 -0.000 0.000 0.332 616 M C 1.381 177.423 176.300 -0.431 0.000 1.166 616 M CA -0.338 54.736 55.300 -0.376 0.000 1.086 616 M CB 1.368 33.585 32.600 -0.639 0.000 1.541 616 M HN 0.063 nan 8.290 nan 0.000 0.462 617 G N 0.706 109.310 108.800 -0.328 0.000 2.920 617 G HA2 0.042 4.002 3.960 -0.000 0.000 0.208 617 G HA3 0.042 4.002 3.960 -0.000 0.000 0.208 617 G C 0.534 175.408 174.900 -0.045 0.000 1.159 617 G CA 0.049 45.068 45.100 -0.134 0.000 0.784 617 G HN 0.737 nan 8.290 nan 0.000 0.535 618 F N 0.293 120.297 119.950 0.091 0.000 2.639 618 F HA 0.520 5.047 4.527 -0.000 0.000 0.302 618 F C 0.112 176.028 175.800 0.193 0.000 1.097 618 F CA -1.741 56.352 58.000 0.155 0.000 1.294 618 F CB -0.327 38.829 39.000 0.261 0.000 1.027 618 F HN -0.016 nan 8.300 nan 0.000 0.550 619 V N -0.793 119.124 119.914 0.005 0.000 2.495 619 V HA 0.487 4.607 4.120 -0.000 0.000 0.298 619 V C -0.820 175.257 176.094 -0.029 0.000 1.031 619 V CA -0.780 61.540 62.300 0.033 0.000 0.871 619 V CB 1.694 33.494 31.823 -0.038 0.000 0.988 619 V HN 0.115 nan 8.190 nan 0.000 0.432 620 D N 4.767 125.146 120.400 -0.035 0.000 2.359 620 D HA 0.122 4.762 4.640 -0.000 0.000 0.250 620 D C 1.293 177.538 176.300 -0.091 0.000 1.264 620 D CA 0.074 54.027 54.000 -0.077 0.000 0.911 620 D CB 0.674 41.408 40.800 -0.110 0.000 1.056 620 D HN 0.813 nan 8.370 nan 0.000 0.499 621 N N 3.098 121.748 118.700 -0.083 0.000 2.575 621 N HA -0.122 4.618 4.740 -0.000 0.000 0.192 621 N C 0.489 175.954 175.510 -0.074 0.000 1.200 621 N CA 0.220 53.216 53.050 -0.091 0.000 0.897 621 N CB 0.197 38.627 38.487 -0.095 0.000 0.990 621 N HN 0.389 nan 8.380 nan 0.000 0.449 622 K N 0.186 120.549 120.400 -0.061 0.000 2.358 622 K HA 0.210 4.530 4.320 -0.000 0.000 0.197 622 K C 0.167 176.764 176.600 -0.005 0.000 1.025 622 K CA 0.001 56.270 56.287 -0.029 0.000 1.104 622 K CB 0.634 33.119 32.500 -0.026 0.000 0.855 622 K HN 0.086 nan 8.250 nan 0.000 0.531 623 R N 1.192 121.656 120.500 -0.061 0.000 2.653 623 R HA 0.327 4.667 4.340 -0.000 0.000 0.269 623 R C -1.155 175.081 176.300 -0.107 0.000 1.603 623 R CA -0.177 55.862 56.100 -0.103 0.000 1.671 623 R CB 0.602 30.643 30.300 -0.431 0.000 1.300 623 R HN -0.025 nan 8.270 nan 0.000 0.668 624 I N 1.297 121.951 120.570 0.140 0.000 2.382 624 I HA 0.437 4.607 4.170 -0.000 0.000 0.286 624 I C 0.284 176.701 176.117 0.499 0.000 1.002 624 I CA -0.536 60.898 61.300 0.223 0.000 1.135 624 I CB 1.841 39.807 38.000 -0.056 0.000 1.288 624 I HN 0.305 nan 8.210 nan 0.000 0.448 625 A N 6.965 130.201 122.820 0.692 0.000 2.247 625 A HA 0.889 5.209 4.320 -0.000 0.000 0.313 625 A C -0.709 177.259 177.584 0.639 0.000 1.109 625 A CA -0.575 51.813 52.037 0.584 0.000 0.890 625 A CB 1.276 20.474 19.000 0.329 0.000 1.239 625 A HN 0.721 nan 8.150 nan 0.000 0.506 626 I N 0.052 120.893 120.570 0.451 0.000 2.692 626 I HA 0.606 4.776 4.170 -0.000 0.000 0.293 626 I C -1.866 174.496 176.117 0.408 0.000 1.200 626 I CA -0.558 60.927 61.300 0.309 0.000 1.036 626 I CB 1.485 39.367 38.000 -0.197 0.000 1.258 626 I HN 0.904 nan 8.210 nan 0.000 0.421 627 W N 7.423 128.854 121.300 0.219 0.000 3.167 627 W HA 0.870 5.530 4.660 -0.000 0.000 0.324 627 W C -1.331 175.335 176.519 0.244 0.000 1.230 627 W CA -1.020 56.460 57.345 0.224 0.000 1.184 627 W CB 1.204 30.845 29.460 0.300 0.000 1.414 627 W HN 0.797 nan 8.180 nan 0.000 0.551 628 G N 1.122 109.859 108.800 -0.105 0.000 2.623 628 G HA2 0.514 4.474 3.960 -0.000 0.000 0.290 628 G HA3 0.514 4.474 3.960 -0.000 0.000 0.290 628 G C -2.831 172.045 174.900 -0.041 0.000 1.437 628 G CA -0.723 44.157 45.100 -0.367 0.000 0.798 628 G HN 0.585 nan 8.290 nan 0.000 0.488 629 W N 0.762 121.961 121.300 -0.169 0.000 2.785 629 W HA 0.613 5.273 4.660 -0.000 0.000 0.333 629 W C 0.675 177.235 176.519 0.068 0.000 1.062 629 W CA 0.218 57.547 57.345 -0.027 0.000 1.233 629 W CB 1.742 31.199 29.460 -0.006 0.000 1.413 629 W HN 1.262 nan 8.180 nan 0.000 0.489 630 S N 2.929 118.876 115.700 0.412 0.000 4.120 630 S HA -0.416 4.054 4.470 -0.000 0.000 0.625 630 S C 1.113 175.801 174.600 0.147 0.000 1.925 630 S CA 1.578 60.001 58.200 0.372 0.000 4.213 630 S CB -1.827 61.749 63.200 0.627 0.000 0.206 630 S HN 0.714 nan 8.310 nan 0.000 0.523 631 Y N 2.577 122.847 120.300 -0.050 0.000 2.193 631 Y HA -0.039 4.511 4.550 -0.000 0.000 0.285 631 Y C 2.433 178.241 175.900 -0.154 0.000 1.166 631 Y CA 2.864 60.842 58.100 -0.202 0.000 1.181 631 Y CB -1.115 36.999 38.460 -0.576 0.000 0.976 631 Y HN 0.589 nan 8.280 nan 0.000 0.520 632 G N -0.827 107.976 108.800 0.006 0.000 2.513 632 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.219 632 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.219 632 G C 1.936 176.864 174.900 0.047 0.000 1.160 632 G CA 1.015 46.155 45.100 0.067 0.000 0.767 632 G HN 0.592 nan 8.290 nan 0.000 0.571 633 G N -0.597 108.241 108.800 0.062 0.000 2.422 633 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.218 633 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.218 633 G C 1.613 176.540 174.900 0.046 0.000 1.140 633 G CA 1.095 46.220 45.100 0.041 0.000 0.775 633 G HN 0.450 nan 8.290 nan 0.000 0.545 634 Y N 1.422 121.626 120.300 -0.160 0.000 2.133 634 Y HA -0.090 4.460 4.550 -0.000 0.000 0.287 634 Y C 2.695 178.499 175.900 -0.161 0.000 1.134 634 Y CA 1.445 59.397 58.100 -0.247 0.000 1.133 634 Y CB -0.508 37.649 38.460 -0.505 0.000 0.987 634 Y HN 0.028 nan 8.280 nan 0.000 0.502 635 V N -0.293 119.470 119.914 -0.252 0.000 2.307 635 V HA -0.301 3.819 4.120 -0.000 0.000 0.245 635 V C 2.337 178.308 176.094 -0.206 0.000 1.045 635 V CA 2.413 64.547 62.300 -0.278 0.000 1.024 635 V CB -1.256 30.549 31.823 -0.030 0.000 0.651 635 V HN 0.465 nan 8.190 nan 0.000 0.449 636 T N -0.034 114.458 114.554 -0.103 0.000 2.685 636 T HA -0.236 4.114 4.350 -0.000 0.000 0.268 636 T C 2.126 176.772 174.700 -0.090 0.000 1.034 636 T CA 2.148 64.201 62.100 -0.079 0.000 1.149 636 T CB -0.294 68.602 68.868 0.046 0.000 0.860 636 T HN 0.495 nan 8.240 nan 0.000 0.449 637 S N 0.591 116.275 115.700 -0.028 0.000 2.383 637 S HA 0.050 4.520 4.470 -0.000 0.000 0.227 637 S C 2.078 176.596 174.600 -0.136 0.000 1.026 637 S CA 0.804 59.016 58.200 0.021 0.000 0.981 637 S CB -0.208 63.067 63.200 0.126 0.000 0.818 637 S HN 0.335 nan 8.310 nan 0.000 0.472 638 M N 0.777 120.210 119.600 -0.278 0.000 2.254 638 M HA 0.015 4.495 4.480 -0.000 0.000 0.265 638 M C 2.073 178.203 176.300 -0.282 0.000 1.066 638 M CA 0.871 55.983 55.300 -0.313 0.000 1.123 638 M CB -1.156 31.148 32.600 -0.493 0.000 1.388 638 M HN 0.175 nan 8.290 nan 0.000 0.425 639 V N 0.725 120.459 119.914 -0.300 0.000 2.239 639 V HA -0.234 3.886 4.120 -0.000 0.000 0.242 639 V C 2.491 178.361 176.094 -0.374 0.000 1.038 639 V CA 1.349 63.462 62.300 -0.311 0.000 1.002 639 V CB -0.701 30.867 31.823 -0.425 0.000 0.641 639 V HN 0.382 nan 8.190 nan 0.000 0.449 640 L N 0.584 121.523 121.223 -0.474 0.000 2.197 640 L HA -0.184 4.156 4.340 -0.000 0.000 0.215 640 L C 2.127 178.410 176.870 -0.979 0.000 1.095 640 L CA 1.649 56.111 54.840 -0.629 0.000 0.764 640 L CB -0.808 40.867 42.059 -0.640 0.000 0.897 640 L HN 0.539 nan 8.230 nan 0.000 0.436 641 G N -1.719 106.542 108.800 -0.899 0.000 3.189 641 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.225 641 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.225 641 G C 1.467 176.184 174.900 -0.304 0.000 1.159 641 G CA 0.558 45.228 45.100 -0.716 0.000 0.763 641 G HN 0.450 nan 8.290 nan 0.000 0.549 642 S N -0.833 114.715 115.700 -0.253 0.000 2.458 642 S HA 0.321 4.791 4.470 -0.000 0.000 0.223 642 S C 1.975 176.521 174.600 -0.090 0.000 1.019 642 S CA 1.138 59.258 58.200 -0.132 0.000 0.937 642 S CB -0.029 63.111 63.200 -0.100 0.000 0.788 642 S HN 1.342 nan 8.310 nan 0.000 0.511 643 G N 1.411 110.149 108.800 -0.104 0.000 2.157 643 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.248 643 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.248 643 G C 1.036 175.923 174.900 -0.023 0.000 0.979 643 G CA 0.954 46.018 45.100 -0.059 0.000 0.650 643 G HN 1.365 nan 8.290 nan 0.000 0.529 644 S N 0.005 115.702 115.700 -0.004 0.000 2.462 644 S HA 0.189 4.659 4.470 -0.000 0.000 0.243 644 S C 2.735 177.342 174.600 0.011 0.000 1.003 644 S CA 1.803 60.014 58.200 0.018 0.000 0.970 644 S CB -0.606 62.636 63.200 0.070 0.000 0.762 644 S HN 2.470 nan 8.310 nan 0.000 0.510 645 G N -0.118 108.694 108.800 0.021 0.000 2.205 645 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.269 645 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.269 645 G C 0.808 175.706 174.900 -0.003 0.000 0.977 645 G CA 0.575 45.683 45.100 0.012 0.000 0.652 645 G HN 0.740 nan 8.290 nan 0.000 0.539 646 V N -0.555 119.352 119.914 -0.012 0.000 2.453 646 V HA 0.198 4.318 4.120 -0.000 0.000 0.247 646 V C 1.328 177.247 176.094 -0.292 0.000 1.048 646 V CA 1.617 63.798 62.300 -0.199 0.000 1.049 646 V CB -0.381 31.237 31.823 -0.341 0.000 0.672 646 V HN 0.310 nan 8.190 nan 0.000 0.457 647 F N -0.146 119.812 119.950 0.014 0.000 2.399 647 F HA 0.394 4.921 4.527 -0.000 0.000 0.334 647 F C 1.093 176.936 175.800 0.070 0.000 1.097 647 F CA -0.648 57.388 58.000 0.061 0.000 1.076 647 F CB 1.267 40.308 39.000 0.068 0.000 1.162 647 F HN -0.239 nan 8.300 nan 0.000 0.495 648 K N 1.343 121.912 120.400 0.281 0.000 2.137 648 K HA 0.129 4.449 4.320 -0.000 0.000 0.202 648 K C -0.267 176.463 176.600 0.217 0.000 1.052 648 K CA 0.915 57.327 56.287 0.208 0.000 0.961 648 K CB 0.249 32.873 32.500 0.207 0.000 0.741 648 K HN 0.798 nan 8.250 nan 0.000 0.452 649 c N -2.726 116.043 118.600 0.281 0.000 3.303 649 c HA 0.843 5.413 4.570 -0.000 0.000 0.340 649 c C -0.409 173.905 174.090 0.374 0.000 1.274 649 c CA -0.634 55.880 56.329 0.308 0.000 1.234 649 c CB 1.066 43.692 42.510 0.192 0.000 1.532 649 c HN 0.335 nan 8.230 nan 0.000 0.483 650 G N 0.501 109.577 108.800 0.459 0.000 2.698 650 G HA2 0.714 4.674 3.960 -0.000 0.000 0.293 650 G HA3 0.714 4.674 3.960 -0.000 0.000 0.293 650 G C -1.787 173.344 174.900 0.385 0.000 1.437 650 G CA -0.753 44.592 45.100 0.408 0.000 0.852 650 G HN 1.018 nan 8.290 nan 0.000 0.499 651 I N 1.035 121.792 120.570 0.312 0.000 2.378 651 I HA 0.592 4.762 4.170 -0.000 0.000 0.291 651 I C 0.308 176.539 176.117 0.190 0.000 0.992 651 I CA -0.895 60.467 61.300 0.103 0.000 1.154 651 I CB 2.038 40.089 38.000 0.085 0.000 1.315 651 I HN 0.589 nan 8.210 nan 0.000 0.448 652 A N 6.679 129.514 122.820 0.026 0.000 2.287 652 A HA 0.729 5.049 4.320 -0.000 0.000 0.317 652 A C -0.687 176.807 177.584 -0.151 0.000 1.220 652 A CA -0.489 51.566 52.037 0.030 0.000 0.835 652 A CB 1.125 20.205 19.000 0.134 0.000 1.180 652 A HN 0.458 nan 8.150 nan 0.000 0.500 653 V N 2.227 122.002 119.914 -0.231 0.000 2.370 653 V HA 0.557 4.677 4.120 -0.000 0.000 0.283 653 V C 0.954 176.663 176.094 -0.641 0.000 1.023 653 V CA 0.438 62.386 62.300 -0.588 0.000 0.857 653 V CB 0.754 31.913 31.823 -1.106 0.000 0.985 653 V HN 2.113 nan 8.190 nan 0.000 0.443 654 A N 5.642 128.066 122.820 -0.660 0.000 2.687 654 A HA -0.099 4.221 4.320 -0.000 0.000 0.299 654 A C -1.716 175.695 177.584 -0.288 0.000 1.497 654 A CA 0.362 51.909 52.037 -0.816 0.000 0.751 654 A CB -1.676 16.927 19.000 -0.662 0.000 1.048 654 A HN 0.618 nan 8.150 nan 0.000 0.464 655 P HA 0.373 nan 4.420 nan 0.000 0.275 655 P C 0.283 177.531 177.300 -0.086 0.000 1.228 655 P CA -0.037 63.030 63.100 -0.056 0.000 0.786 655 P CB 1.195 32.894 31.700 -0.003 0.000 0.927 656 V N 2.846 122.599 119.914 -0.268 0.000 2.637 656 V HA 0.015 4.135 4.120 -0.000 0.000 0.296 656 V C 1.754 177.574 176.094 -0.457 0.000 1.046 656 V CA 1.094 63.072 62.300 -0.535 0.000 1.066 656 V CB 0.629 31.751 31.823 -1.168 0.000 0.968 656 V HN 0.811 nan 8.190 nan 0.000 0.483 657 S N 4.053 119.543 115.700 -0.349 0.000 2.524 657 S HA 0.306 4.776 4.470 -0.000 0.000 0.222 657 S C 0.558 174.950 174.600 -0.348 0.000 1.040 657 S CA -0.370 57.704 58.200 -0.209 0.000 0.915 657 S CB 0.366 63.535 63.200 -0.052 0.000 0.831 657 S HN 0.697 nan 8.310 nan 0.000 0.492 658 R N -0.863 119.304 120.500 -0.556 0.000 2.560 658 R HA 0.284 4.624 4.340 -0.000 0.000 0.267 658 R C -1.242 174.705 176.300 -0.588 0.000 1.150 658 R CA -0.628 55.107 56.100 -0.610 0.000 0.997 658 R CB 0.433 30.246 30.300 -0.811 0.000 1.250 658 R HN 0.265 nan 8.270 nan 0.000 0.433 659 W N 2.020 123.183 121.300 -0.229 0.000 2.465 659 W HA -0.004 4.656 4.660 0.000 0.000 0.268 659 W C 1.182 177.797 176.519 0.160 0.000 1.242 659 W CA 0.459 57.752 57.345 -0.087 0.000 1.248 659 W CB 0.427 29.713 29.460 -0.289 0.000 1.118 659 W HN 0.657 nan 8.180 nan 0.000 0.587 660 E N -0.873 119.479 120.200 0.253 0.000 2.478 660 E HA -0.165 4.185 4.350 -0.000 0.000 0.198 660 E C 1.199 177.952 176.600 0.254 0.000 1.046 660 E CA 0.633 57.163 56.400 0.216 0.000 0.870 660 E CB -0.162 29.573 29.700 0.058 0.000 0.818 660 E HN 0.365 nan 8.360 nan 0.000 0.527 661 Y N -1.203 119.194 120.300 0.162 0.000 2.448 661 Y HA 0.033 4.583 4.550 -0.000 0.000 0.289 661 Y C 0.873 176.905 175.900 0.220 0.000 1.114 661 Y CA -0.257 57.917 58.100 0.123 0.000 1.235 661 Y CB -0.409 38.057 38.460 0.009 0.000 1.045 661 Y HN 0.021 nan 8.280 nan 0.000 0.554 662 Y N 2.286 122.749 120.300 0.272 0.000 2.298 662 Y HA 0.233 4.783 4.550 -0.000 0.000 0.329 662 Y C 0.455 176.576 175.900 0.368 0.000 1.293 662 Y CA -1.865 56.403 58.100 0.280 0.000 1.388 662 Y CB 0.221 38.861 38.460 0.299 0.000 1.309 662 Y HN 0.240 nan 8.280 nan 0.000 0.544 663 D N -0.543 119.612 120.400 -0.408 0.000 2.368 663 D HA 0.105 4.745 4.640 -0.000 0.000 0.240 663 D C 0.850 177.107 176.300 -0.072 0.000 1.169 663 D CA 0.337 54.138 54.000 -0.332 0.000 0.906 663 D CB 0.848 41.199 40.800 -0.748 0.000 1.187 663 D HN 0.455 nan 8.370 nan 0.000 0.435 664 S N 0.776 116.452 115.700 -0.039 0.000 2.357 664 S HA -0.177 4.293 4.470 -0.000 0.000 0.221 664 S C 1.974 176.595 174.600 0.036 0.000 1.031 664 S CA 0.915 59.150 58.200 0.058 0.000 0.982 664 S CB -0.931 62.310 63.200 0.068 0.000 0.853 664 S HN 0.431 nan 8.310 nan 0.000 0.458 665 V N 0.918 120.788 119.914 -0.074 0.000 2.332 665 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 665 V C 2.272 178.286 176.094 -0.134 0.000 1.055 665 V CA 2.256 64.424 62.300 -0.220 0.000 1.038 665 V CB -1.089 30.428 31.823 -0.509 0.000 0.651 665 V HN 0.578 nan 8.190 nan 0.000 0.450 666 Y N 1.501 121.744 120.300 -0.095 0.000 2.114 666 Y HA -0.219 4.331 4.550 -0.000 0.000 0.284 666 Y C 2.800 178.745 175.900 0.075 0.000 1.119 666 Y CA 2.357 60.501 58.100 0.073 0.000 1.108 666 Y CB -0.738 37.942 38.460 0.367 0.000 0.995 666 Y HN 0.224 nan 8.280 nan 0.000 0.491 667 T N 0.336 115.157 114.554 0.445 0.000 2.635 667 T HA -0.245 4.105 4.350 -0.000 0.000 0.267 667 T C 1.558 176.275 174.700 0.029 0.000 1.040 667 T CA 2.066 64.338 62.100 0.287 0.000 1.156 667 T CB -0.440 68.706 68.868 0.463 0.000 0.863 667 T HN 0.417 nan 8.240 nan 0.000 0.430 668 E N 0.380 120.614 120.200 0.057 0.000 2.268 668 E HA -0.063 4.287 4.350 -0.000 0.000 0.195 668 E C 2.300 178.798 176.600 -0.170 0.000 0.995 668 E CA 0.400 56.814 56.400 0.023 0.000 0.836 668 E CB -0.124 29.623 29.700 0.079 0.000 0.763 668 E HN 0.343 nan 8.360 nan 0.000 0.491 669 R N -0.135 120.105 120.500 -0.432 0.000 2.120 669 R HA -0.169 4.171 4.340 -0.000 0.000 0.234 669 R C 0.954 176.658 176.300 -0.993 0.000 1.123 669 R CA 1.434 57.053 56.100 -0.802 0.000 0.975 669 R CB 0.064 29.583 30.300 -1.302 0.000 0.866 669 R HN 0.259 nan 8.270 nan 0.000 0.446 670 Y N -2.486 117.511 120.300 -0.505 0.000 2.430 670 Y HA 0.270 4.820 4.550 -0.000 0.000 0.248 670 Y C 1.441 177.173 175.900 -0.281 0.000 1.108 670 Y CA -0.174 57.629 58.100 -0.496 0.000 1.264 670 Y CB 0.702 38.752 38.460 -0.685 0.000 1.172 670 Y HN -0.048 nan 8.280 nan 0.000 0.520 671 M N -0.580 118.952 119.600 -0.115 0.000 2.260 671 M HA 0.385 4.865 4.480 -0.000 0.000 0.326 671 M C 0.993 177.377 176.300 0.140 0.000 0.930 671 M CA 0.724 55.981 55.300 -0.072 0.000 1.051 671 M CB 0.282 32.657 32.600 -0.376 0.000 1.748 671 M HN 0.286 nan 8.290 nan 0.000 0.606 672 G N 2.283 111.146 108.800 0.105 0.000 2.692 672 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.248 672 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.248 672 G C -0.469 174.556 174.900 0.208 0.000 1.340 672 G CA -0.706 44.473 45.100 0.131 0.000 0.896 672 G HN 0.362 nan 8.290 nan 0.000 0.570 673 L N 1.607 122.889 121.223 0.098 0.000 2.371 673 L HA 0.395 4.735 4.340 -0.000 0.000 0.272 673 L C -1.280 175.477 176.870 -0.189 0.000 1.124 673 L CA -1.588 53.243 54.840 -0.015 0.000 0.816 673 L CB 1.302 43.345 42.059 -0.027 0.000 1.129 673 L HN 0.439 nan 8.230 nan 0.000 0.448 674 P HA 0.054 nan 4.420 nan 0.000 0.228 674 P C -0.511 176.593 177.300 -0.326 0.000 1.748 674 P CA -0.154 62.414 63.100 -0.887 0.000 0.909 674 P CB -0.557 30.367 31.700 -1.294 0.000 1.882 675 T N -3.303 111.153 114.554 -0.164 0.000 2.918 675 T HA 0.458 4.808 4.350 -0.000 0.000 0.286 675 T C -2.194 172.487 174.700 -0.031 0.000 1.026 675 T CA -2.508 59.545 62.100 -0.079 0.000 1.031 675 T CB 1.783 70.619 68.868 -0.053 0.000 1.046 675 T HN -0.270 nan 8.240 nan 0.000 0.479 676 P HA -0.051 nan 4.420 nan 0.000 0.219 676 P C 0.783 178.089 177.300 0.011 0.000 1.146 676 P CA 0.908 64.010 63.100 0.004 0.000 0.808 676 P CB -0.001 31.701 31.700 0.002 0.000 0.779 677 E N -1.347 118.855 120.200 0.004 0.000 2.427 677 E HA -0.077 4.273 4.350 -0.000 0.000 0.196 677 E C 1.367 177.976 176.600 0.015 0.000 1.028 677 E CA 0.676 57.081 56.400 0.008 0.000 0.864 677 E CB -0.369 29.331 29.700 0.001 0.000 0.813 677 E HN 0.288 nan 8.360 nan 0.000 0.514 678 D N -0.038 120.373 120.400 0.018 0.000 2.931 678 D HA 0.103 4.743 4.640 -0.000 0.000 0.241 678 D C 0.401 176.745 176.300 0.073 0.000 1.494 678 D CA 0.196 54.218 54.000 0.038 0.000 1.260 678 D CB 0.042 40.861 40.800 0.032 0.000 0.953 678 D HN 0.023 nan 8.370 nan 0.000 0.240 679 N N 0.440 119.204 118.700 0.107 0.000 2.232 679 N HA 0.091 4.831 4.740 -0.000 0.000 0.240 679 N C 1.559 177.237 175.510 0.281 0.000 1.307 679 N CA -0.131 53.045 53.050 0.211 0.000 0.859 679 N CB 1.153 39.817 38.487 0.296 0.000 1.260 679 N HN 0.092 nan 8.380 nan 0.000 0.501 680 L N 1.032 122.322 121.223 0.111 0.000 2.034 680 L HA -0.277 4.063 4.340 -0.000 0.000 0.217 680 L C 1.138 178.103 176.870 0.157 0.000 1.077 680 L CA 2.069 56.953 54.840 0.074 0.000 0.769 680 L CB -0.373 41.690 42.059 0.007 0.000 0.890 680 L HN 0.276 nan 8.230 nan 0.000 0.435 681 D N -1.480 119.004 120.400 0.139 0.000 2.092 681 D HA -0.254 4.386 4.640 -0.000 0.000 0.193 681 D C 2.084 178.483 176.300 0.165 0.000 0.994 681 D CA 1.462 55.538 54.000 0.127 0.000 0.828 681 D CB -0.382 40.482 40.800 0.107 0.000 0.963 681 D HN 0.511 nan 8.370 nan 0.000 0.450 682 H N -1.079 118.062 119.070 0.118 0.000 2.535 682 H HA -0.051 4.505 4.556 -0.000 0.000 0.273 682 H C 1.580 176.976 175.328 0.112 0.000 0.983 682 H CA 0.449 56.547 56.048 0.084 0.000 1.238 682 H CB 0.139 29.919 29.762 0.029 0.000 1.412 682 H HN 0.180 nan 8.280 nan 0.000 0.562 683 Y N 0.981 121.277 120.300 -0.006 0.000 2.224 683 Y HA -0.182 4.368 4.550 -0.000 0.000 0.289 683 Y C 2.722 178.588 175.900 -0.056 0.000 1.146 683 Y CA 1.502 59.600 58.100 -0.003 0.000 1.182 683 Y CB 0.079 38.563 38.460 0.039 0.000 0.983 683 Y HN 0.087 nan 8.280 nan 0.000 0.524 684 R N -0.301 120.263 120.500 0.106 0.000 2.093 684 R HA -0.063 4.277 4.340 -0.000 0.000 0.224 684 R C 1.732 178.014 176.300 -0.031 0.000 1.101 684 R CA 1.223 57.340 56.100 0.028 0.000 0.979 684 R CB -0.200 30.121 30.300 0.036 0.000 0.877 684 R HN 0.230 nan 8.270 nan 0.000 0.441 685 N N -0.334 118.328 118.700 -0.064 0.000 2.396 685 N HA -0.093 4.647 4.740 -0.000 0.000 0.180 685 N C 0.606 176.047 175.510 -0.115 0.000 1.028 685 N CA 1.312 54.323 53.050 -0.065 0.000 0.893 685 N CB 0.103 38.599 38.487 0.016 0.000 0.967 685 N HN 0.148 nan 8.380 nan 0.000 0.440 686 S N -0.786 114.774 115.700 -0.234 0.000 2.602 686 S HA 0.121 4.591 4.470 -0.000 0.000 0.246 686 S C 0.433 175.053 174.600 0.034 0.000 1.009 686 S CA -0.716 57.416 58.200 -0.114 0.000 1.052 686 S CB -0.863 62.205 63.200 -0.222 0.000 0.778 686 S HN 0.236 nan 8.310 nan 0.000 0.455 687 T N -1.844 112.696 114.554 -0.024 0.000 2.907 687 T HA 0.494 4.844 4.350 -0.000 0.000 0.284 687 T C 1.345 176.044 174.700 -0.002 0.000 1.004 687 T CA -0.692 61.384 62.100 -0.040 0.000 1.063 687 T CB 1.387 70.199 68.868 -0.094 0.000 0.992 687 T HN -0.026 nan 8.240 nan 0.000 0.483 688 V N 2.592 122.510 119.914 0.006 0.000 2.287 688 V HA -0.193 3.927 4.120 -0.000 0.000 0.248 688 V C 2.686 178.762 176.094 -0.031 0.000 1.053 688 V CA 2.074 64.374 62.300 0.001 0.000 1.027 688 V CB -1.025 30.793 31.823 -0.008 0.000 0.646 688 V HN 0.856 nan 8.190 nan 0.000 0.447 689 M N 1.342 120.903 119.600 -0.065 0.000 2.103 689 M HA -0.237 4.243 4.480 -0.000 0.000 0.255 689 M C 2.374 178.650 176.300 -0.039 0.000 1.074 689 M CA 2.492 57.748 55.300 -0.073 0.000 1.090 689 M CB -1.224 31.341 32.600 -0.058 0.000 1.325 689 M HN 0.579 nan 8.290 nan 0.000 0.403 690 S N -0.660 115.026 115.700 -0.023 0.000 2.465 690 S HA -0.123 4.347 4.470 -0.000 0.000 0.241 690 S C 1.761 176.368 174.600 0.012 0.000 1.000 690 S CA 1.006 59.201 58.200 -0.008 0.000 0.964 690 S CB -0.488 62.706 63.200 -0.011 0.000 0.763 690 S HN 0.565 nan 8.310 nan 0.000 0.512 691 R N 0.126 120.648 120.500 0.036 0.000 2.468 691 R HA 0.482 4.822 4.340 -0.000 0.000 0.280 691 R C 2.115 178.524 176.300 0.182 0.000 0.963 691 R CA 0.409 56.556 56.100 0.078 0.000 1.083 691 R CB -0.110 30.228 30.300 0.063 0.000 1.200 691 R HN 0.447 nan 8.270 nan 0.000 0.541 692 A N 1.762 124.640 122.820 0.097 0.000 1.903 692 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 692 A C 1.786 179.453 177.584 0.139 0.000 1.191 692 A CA 1.513 53.582 52.037 0.053 0.000 0.638 692 A CB -0.211 18.750 19.000 -0.066 0.000 0.823 692 A HN 0.222 nan 8.150 nan 0.000 0.451 693 E N 0.275 120.527 120.200 0.088 0.000 2.086 693 E HA -0.240 4.110 4.350 -0.000 0.000 0.205 693 E C 1.688 178.348 176.600 0.100 0.000 1.027 693 E CA 1.619 58.065 56.400 0.078 0.000 0.830 693 E CB -0.584 29.145 29.700 0.047 0.000 0.751 693 E HN 0.664 nan 8.360 nan 0.000 0.456 694 N N 0.027 118.778 118.700 0.085 0.000 2.443 694 N HA -0.119 4.621 4.740 -0.000 0.000 0.184 694 N C 1.602 177.111 175.510 -0.001 0.000 1.037 694 N CA 0.507 53.564 53.050 0.011 0.000 0.896 694 N CB -0.344 38.101 38.487 -0.070 0.000 0.959 694 N HN 0.143 nan 8.380 nan 0.000 0.442 695 F N 1.812 121.724 119.950 -0.065 0.000 2.546 695 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 695 F C 2.007 177.813 175.800 0.010 0.000 1.120 695 F CA 0.704 58.658 58.000 -0.076 0.000 1.456 695 F CB 0.009 38.917 39.000 -0.152 0.000 1.088 695 F HN 0.118 nan 8.300 nan 0.000 0.572 696 K N -0.134 120.375 120.400 0.181 0.000 2.442 696 K HA -0.159 4.161 4.320 -0.000 0.000 0.198 696 K C 1.356 178.021 176.600 0.107 0.000 1.042 696 K CA 1.214 57.587 56.287 0.144 0.000 0.958 696 K CB -0.457 32.108 32.500 0.108 0.000 0.766 696 K HN 0.326 nan 8.250 nan 0.000 0.474 697 Q N 0.983 120.826 119.800 0.071 0.000 2.424 697 Q HA 0.054 4.394 4.340 -0.000 0.000 0.204 697 Q C 0.178 176.218 176.000 0.067 0.000 0.933 697 Q CA 0.361 56.193 55.803 0.048 0.000 0.929 697 Q CB 0.660 29.405 28.738 0.011 0.000 1.037 697 Q HN 0.368 nan 8.270 nan 0.000 0.511 698 V N -2.968 117.003 119.914 0.095 0.000 3.049 698 V HA 0.444 4.563 4.120 -0.000 0.000 0.309 698 V C -1.245 174.992 176.094 0.237 0.000 1.148 698 V CA -1.294 61.086 62.300 0.132 0.000 0.990 698 V CB 2.229 34.086 31.823 0.057 0.000 1.039 698 V HN -0.038 nan 8.190 nan 0.000 0.430 699 E N 2.210 122.577 120.200 0.277 0.000 2.194 699 E HA 0.414 4.764 4.350 -0.000 0.000 0.284 699 E C -1.703 175.275 176.600 0.630 0.000 1.035 699 E CA -0.288 56.355 56.400 0.405 0.000 0.836 699 E CB 1.345 31.220 29.700 0.290 0.000 1.070 699 E HN 0.671 nan 8.360 nan 0.000 0.401 700 Y N 3.521 124.086 120.300 0.441 0.000 2.364 700 Y HA 0.415 4.965 4.550 -0.000 0.000 0.340 700 Y C -1.512 174.465 175.900 0.128 0.000 0.975 700 Y CA -1.622 56.676 58.100 0.329 0.000 1.089 700 Y CB 1.002 39.691 38.460 0.382 0.000 1.192 700 Y HN 0.400 nan 8.280 nan 0.000 0.454 701 L N 7.765 128.713 121.223 -0.459 0.000 2.325 701 L HA 0.599 4.939 4.340 -0.000 0.000 0.281 701 L C -2.074 174.369 176.870 -0.712 0.000 1.004 701 L CA -0.790 53.627 54.840 -0.704 0.000 0.823 701 L CB 1.245 42.573 42.059 -1.220 0.000 1.236 701 L HN 0.631 nan 8.230 nan 0.000 0.415 702 L N 6.669 127.560 121.223 -0.554 0.000 2.305 702 L HA 0.696 5.036 4.340 -0.000 0.000 0.284 702 L C -1.111 175.637 176.870 -0.203 0.000 1.013 702 L CA 0.005 54.565 54.840 -0.467 0.000 0.819 702 L CB 1.172 42.955 42.059 -0.461 0.000 1.227 702 L HN 0.597 nan 8.230 nan 0.000 0.417 703 I N 4.306 124.766 120.570 -0.183 0.000 2.608 703 I HA 0.490 4.660 4.170 -0.000 0.000 0.295 703 I C -1.145 174.950 176.117 -0.037 0.000 1.049 703 I CA -0.729 60.523 61.300 -0.080 0.000 1.063 703 I CB 2.090 40.000 38.000 -0.150 0.000 1.248 703 I HN 0.665 nan 8.210 nan 0.000 0.424 704 H N 1.977 121.100 119.070 0.089 0.000 3.123 704 H HA 0.463 5.019 4.556 -0.000 0.000 0.346 704 H C -0.388 175.168 175.328 0.380 0.000 1.138 704 H CA -0.570 55.580 56.048 0.170 0.000 1.273 704 H CB 1.913 31.740 29.762 0.109 0.000 1.926 704 H HN 0.765 nan 8.280 nan 0.000 0.524 705 G N 0.783 109.902 108.800 0.532 0.000 2.415 705 G HA2 0.224 4.184 3.960 -0.000 0.000 0.269 705 G HA3 0.224 4.184 3.960 -0.000 0.000 0.269 705 G C 1.133 176.288 174.900 0.425 0.000 1.209 705 G CA 0.119 45.489 45.100 0.450 0.000 0.835 705 G HN 0.731 nan 8.290 nan 0.000 0.534 706 T N -1.193 113.474 114.554 0.190 0.000 3.072 706 T HA 0.169 4.519 4.350 -0.000 0.000 0.266 706 T C 1.554 176.237 174.700 -0.027 0.000 1.127 706 T CA 1.201 63.230 62.100 -0.118 0.000 1.107 706 T CB 0.196 68.933 68.868 -0.219 0.000 0.910 706 T HN 0.708 nan 8.240 nan 0.000 0.513 707 A N 0.729 123.610 122.820 0.102 0.000 2.630 707 A HA 0.340 4.660 4.320 -0.000 0.000 0.290 707 A C 0.322 177.886 177.584 -0.033 0.000 1.267 707 A CA -0.504 51.587 52.037 0.090 0.000 0.950 707 A CB -0.114 19.168 19.000 0.470 0.000 1.144 707 A HN 0.352 nan 8.150 nan 0.000 0.527 708 D N 1.706 122.086 120.400 -0.034 0.000 2.348 708 D HA 0.005 4.645 4.640 -0.000 0.000 0.259 708 D C 0.598 176.856 176.300 -0.069 0.000 1.296 708 D CA 0.115 54.189 54.000 0.124 0.000 0.931 708 D CB 0.617 41.638 40.800 0.369 0.000 1.067 708 D HN 0.568 nan 8.370 nan 0.000 0.503 709 D N 2.447 122.869 120.400 0.036 0.000 2.269 709 D HA -0.179 4.461 4.640 -0.000 0.000 0.208 709 D C 1.043 177.310 176.300 -0.056 0.000 0.963 709 D CA 0.168 54.150 54.000 -0.030 0.000 0.864 709 D CB 0.406 41.124 40.800 -0.136 0.000 0.936 709 D HN 0.240 nan 8.370 nan 0.000 0.505 710 N N 0.820 119.588 118.700 0.115 0.000 2.255 710 N HA -0.058 4.682 4.740 -0.000 0.000 0.192 710 N C -0.038 175.440 175.510 -0.053 0.000 1.049 710 N CA 0.552 53.717 53.050 0.192 0.000 0.886 710 N CB 0.342 38.908 38.487 0.131 0.000 1.064 710 N HN -0.074 nan 8.380 nan 0.000 0.457 711 V N 2.842 122.748 119.914 -0.014 0.000 2.304 711 V HA 0.210 4.330 4.120 -0.000 0.000 0.269 711 V C -0.627 175.514 176.094 0.078 0.000 1.036 711 V CA -0.475 61.835 62.300 0.016 0.000 0.840 711 V CB -0.158 31.745 31.823 0.133 0.000 1.036 711 V HN 0.299 nan 8.190 nan 0.000 0.466 712 H N 3.253 122.312 119.070 -0.018 0.000 2.948 712 H HA -0.014 4.542 4.556 -0.000 0.000 0.351 712 H C 0.811 175.975 175.328 -0.273 0.000 1.079 712 H CA 0.035 55.979 56.048 -0.173 0.000 1.407 712 H CB 0.688 30.264 29.762 -0.310 0.000 1.373 712 H HN 0.622 nan 8.280 nan 0.000 0.605 713 F N 1.988 121.705 119.950 -0.388 0.000 2.184 713 F HA -0.309 4.218 4.527 -0.000 0.000 0.301 713 F C 2.559 178.065 175.800 -0.490 0.000 1.076 713 F CA 1.818 59.394 58.000 -0.706 0.000 1.295 713 F CB -0.190 38.595 39.000 -0.358 0.000 1.026 713 F HN 0.674 nan 8.300 nan 0.000 0.494 714 Q N 0.099 119.742 119.800 -0.262 0.000 2.217 714 Q HA -0.290 4.050 4.340 -0.000 0.000 0.209 714 Q C 1.991 177.724 176.000 -0.444 0.000 0.988 714 Q CA 2.018 57.612 55.803 -0.348 0.000 0.878 714 Q CB -0.298 28.203 28.738 -0.395 0.000 0.909 714 Q HN 0.592 nan 8.270 nan 0.000 0.424 715 Q N -0.131 119.446 119.800 -0.372 0.000 2.020 715 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 715 Q C 2.318 178.201 176.000 -0.195 0.000 0.982 715 Q CA 1.766 57.470 55.803 -0.165 0.000 0.838 715 Q CB -0.160 28.567 28.738 -0.018 0.000 0.899 715 Q HN 0.348 nan 8.270 nan 0.000 0.423 716 S N 1.047 116.541 115.700 -0.344 0.000 2.383 716 S HA -0.090 4.380 4.470 -0.000 0.000 0.227 716 S C 2.113 176.458 174.600 -0.425 0.000 1.026 716 S CA 0.838 58.833 58.200 -0.342 0.000 0.981 716 S CB -0.274 62.727 63.200 -0.332 0.000 0.818 716 S HN 0.487 nan 8.310 nan 0.000 0.472 717 A N 1.512 123.967 122.820 -0.609 0.000 1.958 717 A HA -0.217 4.103 4.320 -0.000 0.000 0.221 717 A C 2.124 179.594 177.584 -0.190 0.000 1.178 717 A CA 1.495 53.315 52.037 -0.363 0.000 0.642 717 A CB -0.482 18.349 19.000 -0.281 0.000 0.816 717 A HN 0.433 nan 8.150 nan 0.000 0.453 718 Q N -0.935 118.766 119.800 -0.165 0.000 2.269 718 Q HA 0.105 4.445 4.340 -0.000 0.000 0.201 718 Q C 2.133 178.077 176.000 -0.094 0.000 0.946 718 Q CA 0.700 56.462 55.803 -0.067 0.000 0.877 718 Q CB -0.195 28.583 28.738 0.066 0.000 0.963 718 Q HN 0.781 nan 8.270 nan 0.000 0.472 719 I N 1.333 121.818 120.570 -0.141 0.000 2.226 719 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 719 I C 2.482 178.419 176.117 -0.300 0.000 1.100 719 I CA 1.556 62.728 61.300 -0.212 0.000 1.374 719 I CB -0.268 37.617 38.000 -0.191 0.000 1.057 719 I HN 0.182 nan 8.210 nan 0.000 0.413 720 S N 0.477 116.032 115.700 -0.243 0.000 2.387 720 S HA -0.205 4.265 4.470 -0.000 0.000 0.226 720 S C 2.008 176.574 174.600 -0.058 0.000 1.026 720 S CA 0.896 58.978 58.200 -0.197 0.000 0.972 720 S CB -0.318 62.915 63.200 0.054 0.000 0.814 720 S HN 0.352 nan 8.310 nan 0.000 0.477 721 K N 1.583 121.951 120.400 -0.052 0.000 2.148 721 K HA 0.104 4.424 4.320 -0.000 0.000 0.204 721 K C 2.165 178.746 176.600 -0.031 0.000 1.050 721 K CA 1.038 57.317 56.287 -0.014 0.000 0.942 721 K CB -0.515 31.974 32.500 -0.018 0.000 0.724 721 K HN 0.456 nan 8.250 nan 0.000 0.446 722 A N 0.761 123.532 122.820 -0.082 0.000 1.930 722 A HA -0.000 4.320 4.320 -0.000 0.000 0.215 722 A C 1.992 179.516 177.584 -0.101 0.000 1.176 722 A CA 0.737 52.723 52.037 -0.084 0.000 0.632 722 A CB -0.373 18.564 19.000 -0.104 0.000 0.819 722 A HN 0.280 nan 8.150 nan 0.000 0.445 723 L N -0.558 120.554 121.223 -0.185 0.000 2.093 723 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 723 L C 2.484 179.379 176.870 0.041 0.000 1.085 723 L CA 0.792 55.528 54.840 -0.174 0.000 0.755 723 L CB -0.434 41.328 42.059 -0.495 0.000 0.904 723 L HN 0.240 nan 8.230 nan 0.000 0.435 724 V N -0.196 119.774 119.914 0.093 0.000 2.261 724 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 724 V C 2.021 178.156 176.094 0.068 0.000 1.047 724 V CA 1.943 64.320 62.300 0.130 0.000 1.015 724 V CB -0.472 31.426 31.823 0.125 0.000 0.642 724 V HN 0.419 nan 8.190 nan 0.000 0.446 725 D N -0.415 120.006 120.400 0.035 0.000 2.221 725 D HA -0.133 4.507 4.640 -0.000 0.000 0.204 725 D C 1.865 178.181 176.300 0.026 0.000 0.982 725 D CA 1.051 55.065 54.000 0.024 0.000 0.857 725 D CB -0.093 40.713 40.800 0.009 0.000 0.934 725 D HN 0.330 nan 8.370 nan 0.000 0.475 726 V N -0.877 119.054 119.914 0.029 0.000 3.471 726 V HA 0.191 4.311 4.120 -0.000 0.000 0.258 726 V C 1.370 177.495 176.094 0.052 0.000 1.192 726 V CA 0.936 63.257 62.300 0.034 0.000 1.116 726 V CB 0.308 32.147 31.823 0.026 0.000 0.792 726 V HN 0.390 nan 8.190 nan 0.000 0.459 727 G N 0.519 109.360 108.800 0.068 0.000 2.149 727 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.235 727 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.235 727 G C 0.028 174.991 174.900 0.105 0.000 1.018 727 G CA 0.165 45.312 45.100 0.079 0.000 0.728 727 G HN 0.396 nan 8.290 nan 0.000 0.508 728 V N 0.898 120.895 119.914 0.138 0.000 2.385 728 V HA 0.403 4.523 4.120 -0.000 0.000 0.269 728 V C 0.618 176.891 176.094 0.298 0.000 1.043 728 V CA -0.419 61.993 62.300 0.187 0.000 0.906 728 V CB 1.476 33.401 31.823 0.170 0.000 0.995 728 V HN 0.434 nan 8.190 nan 0.000 0.467 729 D N 4.224 124.766 120.400 0.237 0.000 2.362 729 D HA 0.531 5.171 4.640 -0.000 0.000 0.242 729 D C -0.446 176.072 176.300 0.364 0.000 1.132 729 D CA 0.376 54.496 54.000 0.200 0.000 0.907 729 D CB 0.634 41.492 40.800 0.097 0.000 1.195 729 D HN 0.376 nan 8.370 nan 0.000 0.429 730 F N -1.077 118.947 119.950 0.123 0.000 2.926 730 F HA 0.412 4.939 4.527 0.000 0.000 0.321 730 F C -1.718 174.135 175.800 0.087 0.000 1.168 730 F CA -1.124 56.973 58.000 0.161 0.000 0.890 730 F CB 0.715 39.842 39.000 0.212 0.000 1.357 730 F HN 0.161 nan 8.300 nan 0.000 0.468 731 Q N 1.341 121.219 119.800 0.130 0.000 2.309 731 Q HA 0.823 5.163 4.340 -0.000 0.000 0.264 731 Q C -0.875 175.122 176.000 -0.004 0.000 1.008 731 Q CA -1.032 54.740 55.803 -0.050 0.000 0.853 731 Q CB 2.499 31.248 28.738 0.018 0.000 1.314 731 Q HN 1.020 nan 8.270 nan 0.000 0.448 732 A N 1.830 124.611 122.820 -0.065 0.000 2.437 732 A HA 0.916 5.236 4.320 -0.000 0.000 0.292 732 A C -1.129 176.405 177.584 -0.085 0.000 1.173 732 A CA -0.621 51.416 52.037 0.001 0.000 0.785 732 A CB 1.976 21.040 19.000 0.105 0.000 1.351 732 A HN 0.656 nan 8.150 nan 0.000 0.431 733 M N 0.372 119.915 119.600 -0.095 0.000 2.362 733 M HA 0.443 4.923 4.480 -0.000 0.000 0.242 733 M C -2.056 174.152 176.300 -0.154 0.000 0.995 733 M CA -0.503 54.596 55.300 -0.335 0.000 0.904 733 M CB 0.681 33.044 32.600 -0.394 0.000 2.202 733 M HN 0.986 nan 8.290 nan 0.000 0.464 734 W N 4.174 125.374 121.300 -0.168 0.000 2.415 734 W HA 0.819 5.479 4.660 -0.000 0.000 0.355 734 W C -1.838 174.512 176.519 -0.282 0.000 1.161 734 W CA -0.771 56.560 57.345 -0.023 0.000 1.315 734 W CB 0.405 29.869 29.460 0.005 0.000 1.261 734 W HN 0.628 nan 8.180 nan 0.000 0.636 735 Y N 1.616 122.057 120.300 0.234 0.000 2.349 735 Y HA 0.289 4.839 4.550 -0.000 0.000 0.324 735 Y C 0.274 176.278 175.900 0.173 0.000 1.005 735 Y CA -1.104 57.041 58.100 0.076 0.000 1.240 735 Y CB 1.594 40.060 38.460 0.009 0.000 1.117 735 Y HN 0.420 nan 8.280 nan 0.000 0.463 736 T N 4.622 119.344 114.554 0.280 0.000 2.831 736 T HA -0.003 4.347 4.350 -0.000 0.000 0.291 736 T C 0.147 174.920 174.700 0.122 0.000 0.981 736 T CA 0.745 62.946 62.100 0.168 0.000 1.174 736 T CB -0.107 68.799 68.868 0.064 0.000 0.929 736 T HN 0.716 nan 8.240 nan 0.000 0.532 737 D N 0.816 121.280 120.400 0.106 0.000 3.046 737 D HA -0.119 4.521 4.640 -0.000 0.000 0.210 737 D C 0.263 176.705 176.300 0.238 0.000 1.124 737 D CA 1.113 55.139 54.000 0.044 0.000 0.986 737 D CB -0.377 40.221 40.800 -0.337 0.000 1.118 737 D HN 0.530 nan 8.370 nan 0.000 0.416 738 E N 0.902 121.249 120.200 0.246 0.000 2.319 738 E HA 0.321 4.671 4.350 -0.000 0.000 0.268 738 E C 0.848 177.626 176.600 0.297 0.000 1.050 738 E CA -0.261 56.296 56.400 0.261 0.000 0.878 738 E CB 1.120 30.951 29.700 0.219 0.000 1.066 738 E HN 0.331 nan 8.360 nan 0.000 0.406 739 D N -0.210 120.376 120.400 0.311 0.000 2.509 739 D HA -0.004 4.636 4.640 -0.000 0.000 0.275 739 D C 1.091 177.614 176.300 0.371 0.000 1.189 739 D CA -0.103 54.104 54.000 0.345 0.000 1.098 739 D CB -0.299 40.732 40.800 0.385 0.000 1.177 739 D HN 0.442 nan 8.370 nan 0.000 0.599 740 H N -1.559 117.689 119.070 0.298 0.000 2.457 740 H HA 0.166 4.722 4.556 -0.000 0.000 0.294 740 H C 1.873 177.445 175.328 0.408 0.000 1.064 740 H CA 2.001 58.246 56.048 0.328 0.000 1.330 740 H CB -0.308 29.630 29.762 0.293 0.000 1.395 740 H HN 0.467 nan 8.280 nan 0.000 0.541 741 G N -0.345 108.642 108.800 0.311 0.000 2.777 741 G HA2 0.017 3.977 3.960 -0.000 0.000 0.211 741 G HA3 0.017 3.977 3.960 -0.000 0.000 0.211 741 G C 0.594 175.681 174.900 0.312 0.000 1.149 741 G CA 0.232 45.438 45.100 0.177 0.000 0.785 741 G HN 0.494 nan 8.290 nan 0.000 0.536 742 I N 0.058 120.827 120.570 0.332 0.000 3.859 742 I HA -0.334 3.836 4.170 -0.000 0.000 0.126 742 I C 1.491 177.725 176.117 0.195 0.000 1.065 742 I CA 0.246 61.678 61.300 0.219 0.000 2.735 742 I CB -0.954 37.112 38.000 0.110 0.000 1.465 742 I HN 0.249 nan 8.210 nan 0.000 0.341 743 A N 1.142 124.055 122.820 0.155 0.000 2.469 743 A HA 0.324 4.644 4.320 -0.000 0.000 0.245 743 A C 1.090 178.720 177.584 0.077 0.000 1.221 743 A CA 0.494 52.587 52.037 0.094 0.000 0.946 743 A CB 0.244 19.266 19.000 0.036 0.000 1.049 743 A HN 0.595 nan 8.150 nan 0.000 0.529 744 S N -0.236 115.527 115.700 0.106 0.000 2.566 744 S HA 0.111 4.581 4.470 -0.000 0.000 0.280 744 S C 1.169 175.829 174.600 0.100 0.000 1.343 744 S CA 0.435 58.693 58.200 0.096 0.000 1.036 744 S CB 1.017 64.282 63.200 0.109 0.000 0.866 744 S HN 0.403 nan 8.310 nan 0.000 0.526 745 S N 1.856 117.603 115.700 0.080 0.000 2.374 745 S HA -0.169 4.301 4.470 -0.000 0.000 0.227 745 S C 2.087 176.751 174.600 0.105 0.000 1.037 745 S CA 2.116 60.367 58.200 0.086 0.000 1.024 745 S CB -1.339 61.891 63.200 0.050 0.000 0.861 745 S HN 1.025 nan 8.310 nan 0.000 0.456 746 T N -0.496 114.109 114.554 0.085 0.000 2.851 746 T HA 0.251 4.601 4.350 -0.000 0.000 0.262 746 T C 1.962 176.723 174.700 0.101 0.000 1.043 746 T CA 1.057 63.206 62.100 0.082 0.000 1.140 746 T CB -0.751 68.159 68.868 0.070 0.000 0.872 746 T HN 0.385 nan 8.240 nan 0.000 0.446 747 A N 1.504 124.373 122.820 0.081 0.000 1.930 747 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 747 A C 2.198 179.772 177.584 -0.016 0.000 1.175 747 A CA 1.960 53.993 52.037 -0.007 0.000 0.627 747 A CB -1.204 17.758 19.000 -0.063 0.000 0.815 747 A HN 0.720 nan 8.150 nan 0.000 0.443 748 H N 0.074 119.147 119.070 0.005 0.000 2.319 748 H HA -0.154 4.402 4.556 -0.000 0.000 0.299 748 H C 2.066 177.462 175.328 0.113 0.000 1.092 748 H CA 2.404 58.502 56.048 0.083 0.000 1.302 748 H CB -0.287 29.508 29.762 0.055 0.000 1.373 748 H HN 0.587 nan 8.280 nan 0.000 0.497 749 Q N -1.417 118.327 119.800 -0.094 0.000 2.119 749 Q HA -0.173 4.167 4.340 -0.000 0.000 0.201 749 Q C 2.178 178.139 176.000 -0.066 0.000 0.972 749 Q CA 1.546 57.255 55.803 -0.156 0.000 0.847 749 Q CB -0.163 28.531 28.738 -0.073 0.000 0.903 749 Q HN 0.664 nan 8.270 nan 0.000 0.433 750 H N 0.580 119.611 119.070 -0.064 0.000 2.299 750 H HA -0.066 4.490 4.556 -0.000 0.000 0.302 750 H C 1.954 177.269 175.328 -0.021 0.000 1.078 750 H CA 1.639 57.685 56.048 -0.003 0.000 1.323 750 H CB 0.009 29.839 29.762 0.113 0.000 1.381 750 H HN 0.218 nan 8.280 nan 0.000 0.498 751 I N -0.415 120.156 120.570 0.002 0.000 2.286 751 I HA -0.315 3.855 4.170 -0.000 0.000 0.248 751 I C 1.337 177.208 176.117 -0.409 0.000 1.115 751 I CA 1.318 62.505 61.300 -0.188 0.000 1.392 751 I CB -0.135 37.566 38.000 -0.498 0.000 1.065 751 I HN 0.323 nan 8.210 nan 0.000 0.418 752 Y N 0.890 120.975 120.300 -0.357 0.000 2.242 752 Y HA -0.209 4.341 4.550 -0.000 0.000 0.291 752 Y C 2.731 178.388 175.900 -0.404 0.000 1.137 752 Y CA 1.971 59.740 58.100 -0.551 0.000 1.181 752 Y CB -0.872 37.261 38.460 -0.545 0.000 0.989 752 Y HN 0.135 nan 8.280 nan 0.000 0.527 753 T N -1.515 112.920 114.554 -0.198 0.000 2.708 753 T HA -0.254 4.096 4.350 -0.000 0.000 0.266 753 T C 1.573 176.038 174.700 -0.392 0.000 1.037 753 T CA 1.920 63.834 62.100 -0.310 0.000 1.146 753 T CB -0.526 68.169 68.868 -0.288 0.000 0.865 753 T HN 0.394 nan 8.240 nan 0.000 0.435 754 H N 0.776 119.641 119.070 -0.342 0.000 2.353 754 H HA 0.042 4.598 4.556 -0.000 0.000 0.298 754 H C 2.166 177.423 175.328 -0.117 0.000 1.103 754 H CA 1.697 57.628 56.048 -0.194 0.000 1.293 754 H CB -0.260 29.429 29.762 -0.121 0.000 1.372 754 H HN 0.271 nan 8.280 nan 0.000 0.501 755 M N -0.972 118.511 119.600 -0.195 0.000 2.200 755 M HA -0.138 4.342 4.480 -0.000 0.000 0.265 755 M C 2.411 178.807 176.300 0.160 0.000 1.066 755 M CA 1.323 56.523 55.300 -0.167 0.000 1.127 755 M CB 0.092 32.323 32.600 -0.615 0.000 1.379 755 M HN 0.216 nan 8.290 nan 0.000 0.420 756 S N -0.341 115.482 115.700 0.205 0.000 2.359 756 S HA -0.185 4.285 4.470 -0.000 0.000 0.224 756 S C 1.655 176.378 174.600 0.205 0.000 1.035 756 S CA 1.232 59.654 58.200 0.371 0.000 1.018 756 S CB -0.693 62.682 63.200 0.291 0.000 0.876 756 S HN 0.463 nan 8.310 nan 0.000 0.448 757 H N 0.325 119.457 119.070 0.104 0.000 2.290 757 H HA -0.066 4.490 4.556 -0.000 0.000 0.298 757 H C 1.949 177.286 175.328 0.014 0.000 1.087 757 H CA 1.403 57.468 56.048 0.029 0.000 1.291 757 H CB -1.055 28.681 29.762 -0.043 0.000 1.369 757 H HN 0.455 nan 8.280 nan 0.000 0.492 758 F N 0.757 120.690 119.950 -0.028 0.000 2.126 758 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 758 F C 2.418 178.172 175.800 -0.076 0.000 1.096 758 F CA 1.107 59.059 58.000 -0.080 0.000 1.255 758 F CB -0.407 38.510 39.000 -0.139 0.000 0.997 758 F HN -0.002 nan 8.300 nan 0.000 0.479 759 I N 0.083 120.668 120.570 0.026 0.000 2.277 759 I HA -0.243 3.927 4.170 -0.000 0.000 0.243 759 I C 2.393 178.330 176.117 -0.299 0.000 1.094 759 I CA 0.983 62.133 61.300 -0.250 0.000 1.393 759 I CB -0.479 37.431 38.000 -0.150 0.000 1.078 759 I HN -0.056 nan 8.210 nan 0.000 0.417 760 K N 0.573 120.946 120.400 -0.046 0.000 2.059 760 K HA -0.318 4.002 4.320 -0.000 0.000 0.212 760 K C 2.109 178.709 176.600 0.001 0.000 1.050 760 K CA 2.337 58.650 56.287 0.043 0.000 0.927 760 K CB -0.364 32.214 32.500 0.129 0.000 0.714 760 K HN 0.470 nan 8.250 nan 0.000 0.447 761 Q N 0.387 120.146 119.800 -0.068 0.000 2.172 761 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 761 Q C 2.177 178.085 176.000 -0.153 0.000 0.964 761 Q CA 1.634 57.378 55.803 -0.098 0.000 0.855 761 Q CB -0.956 27.718 28.738 -0.108 0.000 0.918 761 Q HN 0.308 nan 8.270 nan 0.000 0.444 762 c N -0.426 117.987 118.600 -0.311 0.000 2.432 762 c HA 0.074 4.644 4.570 -0.000 0.000 0.280 762 c C 1.340 175.449 174.090 0.033 0.000 1.353 762 c CA 0.246 56.399 56.329 -0.294 0.000 1.766 762 c CB -1.103 41.068 42.510 -0.565 0.000 1.924 762 c HN 0.610 nan 8.230 nan 0.000 0.509 763 F N 1.699 121.616 119.950 -0.054 0.000 2.695 763 F HA 0.252 4.779 4.527 -0.000 0.000 0.303 763 F C 1.533 177.321 175.800 -0.021 0.000 1.091 763 F CA 0.222 58.210 58.000 -0.020 0.000 1.300 763 F CB -1.068 37.931 39.000 -0.001 0.000 1.071 763 F HN 0.212 nan 8.300 nan 0.000 0.578 764 S N 1.064 116.848 115.700 0.141 0.000 3.631 764 S HA -0.209 4.261 4.470 -0.000 0.000 0.366 764 S C -0.162 174.481 174.600 0.071 0.000 0.993 764 S CA 0.133 58.376 58.200 0.071 0.000 1.167 764 S CB -2.356 60.872 63.200 0.048 0.000 0.909 764 S HN 0.242 nan 8.310 nan 0.000 0.478 765 L N 0.615 121.892 121.223 0.090 0.000 2.296 765 L HA 0.492 4.832 4.340 -0.000 0.000 0.286 765 L C -1.461 175.448 176.870 0.064 0.000 1.023 765 L CA -2.319 52.569 54.840 0.080 0.000 0.812 765 L CB 0.575 42.701 42.059 0.113 0.000 1.223 765 L HN 0.030 nan 8.230 nan 0.000 0.421 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.126 63.100 0.044 0.000 0.800 766 P CB 0.000 31.723 31.700 0.037 0.000 0.726