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 3c43_1_A DATA FIRST_RESID 39 DATA SEQUENCE TRKTYTLTDY 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 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.740 174.700 0.067 0.000 1.109 39 T CA 0.000 62.130 62.100 0.051 0.000 1.349 39 T CB 0.000 68.893 68.868 0.042 0.000 0.612 40 R N 2.501 123.044 120.500 0.071 0.000 1.602 40 R HA -0.098 4.243 4.340 0.001 0.000 0.389 40 R C 0.395 176.752 176.300 0.094 0.000 1.286 40 R CA 0.883 57.033 56.100 0.084 0.000 1.170 40 R CB -0.110 30.244 30.300 0.090 0.000 3.387 40 R HN 0.824 nan 8.270 nan 0.000 0.484 41 K N 1.414 121.875 120.400 0.102 0.000 2.386 41 K HA 0.381 4.702 4.320 0.001 0.000 0.249 41 K C 0.450 177.125 176.600 0.125 0.000 1.055 41 K CA -0.015 56.339 56.287 0.113 0.000 0.930 41 K CB 0.559 33.132 32.500 0.121 0.000 1.230 41 K HN 0.623 nan 8.250 nan 0.000 0.507 42 T N -3.344 111.295 114.554 0.142 0.000 2.927 42 T HA 0.271 4.622 4.350 0.001 0.000 0.286 42 T C -0.786 174.052 174.700 0.230 0.000 1.040 42 T CA -0.796 61.401 62.100 0.162 0.000 1.010 42 T CB 0.582 69.537 68.868 0.146 0.000 1.177 42 T HN 0.454 nan 8.240 nan 0.000 0.546 43 Y N 2.670 123.047 120.300 0.128 0.000 2.539 43 Y HA 0.391 4.942 4.550 0.001 0.000 0.352 43 Y C 0.990 177.057 175.900 0.279 0.000 1.004 43 Y CA -0.216 58.004 58.100 0.200 0.000 1.278 43 Y CB -0.137 38.400 38.460 0.129 0.000 1.136 43 Y HN 1.013 nan 8.280 nan 0.000 0.528 44 T N 2.384 116.951 114.554 0.021 0.000 2.862 44 T HA 0.140 4.491 4.350 0.001 0.000 0.276 44 T C 0.952 175.596 174.700 -0.093 0.000 0.974 44 T CA -0.666 61.498 62.100 0.108 0.000 0.966 44 T CB 1.172 70.064 68.868 0.039 0.000 1.072 44 T HN 0.683 nan 8.240 nan 0.000 0.538 45 L N 0.871 121.893 121.223 -0.336 0.000 2.056 45 L HA 0.048 4.389 4.340 0.001 0.000 0.207 45 L C 2.575 179.294 176.870 -0.251 0.000 1.078 45 L CA 2.117 56.586 54.840 -0.617 0.000 0.749 45 L CB -1.476 40.074 42.059 -0.848 0.000 0.901 45 L HN 0.947 nan 8.230 nan 0.000 0.433 46 T N -0.514 113.925 114.554 -0.192 0.000 2.788 46 T HA -0.154 4.197 4.350 0.001 0.000 0.268 46 T C 1.489 176.089 174.700 -0.166 0.000 1.044 46 T CA 1.413 63.424 62.100 -0.147 0.000 1.139 46 T CB -0.401 68.405 68.868 -0.103 0.000 0.867 46 T HN 0.390 nan 8.240 nan 0.000 0.454 47 D N 0.263 120.532 120.400 -0.218 0.000 2.104 47 D HA -0.105 4.535 4.640 0.001 0.000 0.194 47 D C 1.754 177.928 176.300 -0.210 0.000 0.994 47 D CA 1.110 54.937 54.000 -0.288 0.000 0.830 47 D CB -0.427 40.098 40.800 -0.458 0.000 0.959 47 D HN 0.429 nan 8.370 nan 0.000 0.452 48 Y N 1.443 121.537 120.300 -0.344 0.000 2.163 48 Y HA -0.100 4.451 4.550 0.001 0.000 0.288 48 Y C 2.160 178.063 175.900 0.005 0.000 1.136 48 Y CA 1.211 59.297 58.100 -0.023 0.000 1.147 48 Y CB -0.603 37.917 38.460 0.100 0.000 0.987 48 Y HN -0.089 nan 8.280 nan 0.000 0.509 49 L N 0.040 121.057 121.223 -0.343 0.000 2.201 49 L HA -0.144 4.197 4.340 0.001 0.000 0.212 49 L C 1.687 178.438 176.870 -0.198 0.000 1.105 49 L CA 1.163 55.783 54.840 -0.366 0.000 0.775 49 L CB -0.382 41.530 42.059 -0.245 0.000 0.913 49 L HN 0.073 nan 8.230 nan 0.000 0.440 50 K N -0.429 119.880 120.400 -0.151 0.000 2.372 50 K HA 0.142 4.463 4.320 0.001 0.000 0.200 50 K C 0.120 176.667 176.600 -0.088 0.000 1.022 50 K CA -0.137 56.087 56.287 -0.106 0.000 1.125 50 K CB 0.040 32.479 32.500 -0.101 0.000 0.855 50 K HN 0.155 nan 8.250 nan 0.000 0.524 51 N N 1.626 120.282 118.700 -0.073 0.000 2.727 51 N HA -0.172 4.569 4.740 0.001 0.000 0.249 51 N C 0.878 176.370 175.510 -0.029 0.000 1.048 51 N CA 1.292 54.342 53.050 0.001 0.000 0.714 51 N CB -1.617 36.871 38.487 0.002 0.000 0.959 51 N HN 0.485 nan 8.380 nan 0.000 0.544 52 T N -4.107 110.365 114.554 -0.138 0.000 2.803 52 T HA -0.190 4.161 4.350 0.001 0.000 0.269 52 T C 0.662 175.142 174.700 -0.366 0.000 1.052 52 T CA 1.131 63.040 62.100 -0.319 0.000 1.136 52 T CB -0.194 68.353 68.868 -0.534 0.000 0.864 52 T HN 0.321 nan 8.240 nan 0.000 0.467 53 Y N 1.802 122.199 120.300 0.162 0.000 2.593 53 Y HA 0.640 5.190 4.550 0.001 0.000 0.331 53 Y C 0.406 176.420 175.900 0.189 0.000 0.986 53 Y CA -1.758 56.462 58.100 0.201 0.000 1.262 53 Y CB 0.554 39.202 38.460 0.312 0.000 1.098 53 Y HN 0.013 nan 8.280 nan 0.000 0.506 54 R N 2.206 122.852 120.500 0.242 0.000 2.297 54 R HA 0.504 4.845 4.340 0.001 0.000 0.308 54 R C -1.247 175.165 176.300 0.187 0.000 1.029 54 R CA -0.565 55.645 56.100 0.184 0.000 0.929 54 R CB 0.445 30.812 30.300 0.111 0.000 1.046 54 R HN 0.533 nan 8.270 nan 0.000 0.461 55 L N 4.116 125.453 121.223 0.190 0.000 2.331 55 L HA 0.287 4.628 4.340 0.001 0.000 0.278 55 L C 0.255 177.213 176.870 0.147 0.000 1.106 55 L CA 0.510 55.462 54.840 0.186 0.000 0.824 55 L CB 0.959 43.148 42.059 0.217 0.000 1.142 55 L HN 0.523 nan 8.230 nan 0.000 0.443 56 K N 2.853 123.335 120.400 0.136 0.000 2.174 56 K HA 0.579 4.900 4.320 0.001 0.000 0.275 56 K C -0.842 175.813 176.600 0.092 0.000 1.015 56 K CA -0.586 55.760 56.287 0.099 0.000 0.933 56 K CB 1.050 33.602 32.500 0.086 0.000 1.025 56 K HN 0.255 nan 8.250 nan 0.000 0.463 57 L N 1.534 122.748 121.223 -0.015 0.000 2.235 57 L HA 0.450 4.790 4.340 0.001 0.000 0.260 57 L C -1.155 175.491 176.870 -0.373 0.000 1.025 57 L CA -0.617 54.090 54.840 -0.222 0.000 0.836 57 L CB 0.836 42.874 42.059 -0.034 0.000 1.395 57 L HN 0.531 nan 8.230 nan 0.000 0.443 58 Y N -0.049 119.780 120.300 -0.785 0.000 2.517 58 Y HA 0.380 4.931 4.550 0.001 0.000 0.328 58 Y C -0.846 174.910 175.900 -0.240 0.000 1.130 58 Y CA -0.418 57.401 58.100 -0.468 0.000 1.280 58 Y CB 1.036 39.025 38.460 -0.785 0.000 1.101 58 Y HN 0.443 nan 8.280 nan 0.000 0.610 59 S N 5.415 121.061 115.700 -0.089 0.000 2.416 59 S HA 0.492 4.963 4.470 0.001 0.000 0.287 59 S C -0.470 174.097 174.600 -0.056 0.000 1.139 59 S CA -0.487 57.693 58.200 -0.033 0.000 1.058 59 S CB -0.152 63.038 63.200 -0.017 0.000 0.967 59 S HN 0.543 nan 8.310 nan 0.000 0.495 60 L N 1.773 122.924 121.223 -0.120 0.000 2.304 60 L HA 0.814 5.155 4.340 0.001 0.000 0.268 60 L C -0.310 176.462 176.870 -0.163 0.000 1.010 60 L CA -0.993 53.727 54.840 -0.199 0.000 0.813 60 L CB 0.797 42.442 42.059 -0.690 0.000 1.315 60 L HN 0.347 nan 8.230 nan 0.000 0.445 61 R N 0.276 120.715 120.500 -0.102 0.000 2.473 61 R HA 0.389 4.729 4.340 0.001 0.000 0.303 61 R C -1.795 174.524 176.300 0.031 0.000 1.002 61 R CA -0.257 55.838 56.100 -0.008 0.000 0.884 61 R CB 1.136 31.475 30.300 0.065 0.000 1.173 61 R HN 0.658 nan 8.270 nan 0.000 0.464 62 W N 4.529 125.926 121.300 0.162 0.000 2.303 62 W HA 0.156 4.817 4.660 0.001 0.000 0.318 62 W C 1.467 178.055 176.519 0.116 0.000 1.362 62 W CA -0.446 57.000 57.345 0.169 0.000 1.234 62 W CB 0.522 30.081 29.460 0.165 0.000 1.248 62 W HN 0.659 nan 8.180 nan 0.000 0.546 63 I N 0.379 121.150 120.570 0.335 0.000 4.227 63 I HA 0.328 4.499 4.170 0.001 0.000 0.334 63 I C 0.579 176.780 176.117 0.139 0.000 1.341 63 I CA -0.133 61.269 61.300 0.169 0.000 1.123 63 I CB -0.059 37.974 38.000 0.054 0.000 1.097 63 I HN 0.256 nan 8.210 nan 0.000 0.399 64 S N -0.542 115.267 115.700 0.183 0.000 2.724 64 S HA 0.264 4.735 4.470 0.001 0.000 0.278 64 S C -0.239 174.450 174.600 0.149 0.000 1.190 64 S CA -0.243 58.019 58.200 0.104 0.000 0.860 64 S CB 1.345 64.517 63.200 -0.047 0.000 1.206 64 S HN 0.059 nan 8.310 nan 0.000 0.507 65 D N 0.058 120.553 120.400 0.157 0.000 2.349 65 D HA 0.113 4.754 4.640 0.001 0.000 0.224 65 D C 1.071 177.590 176.300 0.364 0.000 1.029 65 D CA 1.176 55.295 54.000 0.199 0.000 0.879 65 D CB -0.044 40.887 40.800 0.218 0.000 0.906 65 D HN 0.664 nan 8.370 nan 0.000 0.528 66 H N -2.449 116.799 119.070 0.297 0.000 3.566 66 H HA 0.379 4.936 4.556 0.001 0.000 0.259 66 H C -0.495 174.991 175.328 0.264 0.000 1.184 66 H CA -0.359 55.859 56.048 0.284 0.000 1.107 66 H CB -0.004 29.912 29.762 0.256 0.000 1.726 66 H HN 0.024 nan 8.280 nan 0.000 0.743 67 E N 1.070 121.325 120.200 0.092 0.000 2.340 67 E HA 0.397 4.748 4.350 0.001 0.000 0.273 67 E C -1.619 175.116 176.600 0.225 0.000 0.891 67 E CA -1.153 55.283 56.400 0.060 0.000 0.757 67 E CB 3.106 32.727 29.700 -0.131 0.000 1.231 67 E HN 0.281 nan 8.360 nan 0.000 0.439 68 Y N -0.742 119.555 120.300 -0.006 0.000 2.581 68 Y HA 0.653 5.204 4.550 0.001 0.000 0.345 68 Y C -1.599 174.288 175.900 -0.021 0.000 1.036 68 Y CA -1.336 56.668 58.100 -0.160 0.000 1.042 68 Y CB 0.898 38.931 38.460 -0.712 0.000 1.289 68 Y HN 0.336 nan 8.280 nan 0.000 0.471 69 L N 3.087 124.426 121.223 0.194 0.000 2.309 69 L HA 0.475 4.816 4.340 0.001 0.000 0.282 69 L C -1.355 175.714 176.870 0.332 0.000 1.036 69 L CA -0.940 54.002 54.840 0.171 0.000 0.806 69 L CB 1.469 43.550 42.059 0.035 0.000 1.220 69 L HN 0.761 nan 8.230 nan 0.000 0.429 70 Y N 2.849 123.261 120.300 0.187 0.000 2.386 70 Y HA 0.318 4.868 4.550 0.001 0.000 0.334 70 Y C -0.543 175.391 175.900 0.057 0.000 1.002 70 Y CA -1.269 56.863 58.100 0.055 0.000 1.068 70 Y CB 1.628 40.078 38.460 -0.016 0.000 1.203 70 Y HN 0.444 nan 8.280 nan 0.000 0.443 71 K N 4.953 125.061 120.400 -0.487 0.000 2.316 71 K HA 0.282 4.603 4.320 0.001 0.000 0.289 71 K C -1.037 175.216 176.600 -0.579 0.000 1.070 71 K CA -0.256 55.801 56.287 -0.383 0.000 0.928 71 K CB 0.585 32.956 32.500 -0.215 0.000 1.039 71 K HN 0.808 nan 8.250 nan 0.000 0.480 72 Q N 3.563 123.195 119.800 -0.281 0.000 2.310 72 Q HA 0.124 4.465 4.340 0.001 0.000 0.270 72 Q C -1.151 174.800 176.000 -0.083 0.000 1.025 72 Q CA -0.270 55.434 55.803 -0.164 0.000 0.772 72 Q CB 1.219 29.983 28.738 0.042 0.000 1.253 72 Q HN 0.699 nan 8.270 nan 0.000 0.450 73 E N 3.371 123.528 120.200 -0.072 0.000 2.440 73 E HA -0.413 3.938 4.350 0.001 0.000 0.246 73 E C -0.413 176.153 176.600 -0.058 0.000 1.165 73 E CA 0.607 56.979 56.400 -0.047 0.000 0.726 73 E CB -1.105 28.581 29.700 -0.023 0.000 1.271 73 E HN 0.908 nan 8.360 nan 0.000 0.397 74 N N -1.120 117.532 118.700 -0.081 0.000 2.878 74 N HA -0.159 4.582 4.740 0.001 0.000 0.247 74 N C -0.816 174.637 175.510 -0.095 0.000 1.021 74 N CA 1.083 54.085 53.050 -0.080 0.000 0.873 74 N CB -0.836 37.620 38.487 -0.052 0.000 1.128 74 N HN 0.397 nan 8.380 nan 0.000 0.571 75 N N 0.757 119.400 118.700 -0.095 0.000 2.399 75 N HA 0.392 5.133 4.740 0.001 0.000 0.295 75 N C 0.044 175.496 175.510 -0.097 0.000 1.048 75 N CA -0.295 52.702 53.050 -0.088 0.000 0.886 75 N CB 1.367 39.819 38.487 -0.059 0.000 1.185 75 N HN 0.113 nan 8.380 nan 0.000 0.487 76 I N 3.314 123.828 120.570 -0.092 0.000 2.301 76 I HA 0.238 4.408 4.170 0.001 0.000 0.292 76 I C 0.054 176.197 176.117 0.045 0.000 1.046 76 I CA -0.307 60.950 61.300 -0.072 0.000 1.282 76 I CB 0.557 38.467 38.000 -0.150 0.000 1.409 76 I HN 0.223 nan 8.210 nan 0.000 0.484 77 L N 6.803 128.065 121.223 0.065 0.000 2.334 77 L HA 0.632 4.972 4.340 0.001 0.000 0.270 77 L C -0.291 176.599 176.870 0.034 0.000 1.018 77 L CA -0.992 53.864 54.840 0.026 0.000 0.811 77 L CB 2.103 44.145 42.059 -0.029 0.000 1.271 77 L HN 0.297 nan 8.230 nan 0.000 0.443 78 V N 1.732 121.587 119.914 -0.098 0.000 2.495 78 V HA 0.537 4.658 4.120 0.001 0.000 0.298 78 V C -1.080 174.828 176.094 -0.310 0.000 1.031 78 V CA -0.237 62.005 62.300 -0.097 0.000 0.871 78 V CB 1.505 33.332 31.823 0.006 0.000 0.988 78 V HN 0.479 nan 8.190 nan 0.000 0.432 79 F N 5.129 124.808 119.950 -0.452 0.000 2.508 79 F HA 0.509 5.037 4.527 0.001 0.000 0.325 79 F C 0.428 175.970 175.800 -0.430 0.000 1.090 79 F CA -0.566 57.105 58.000 -0.548 0.000 0.945 79 F CB 1.786 40.132 39.000 -1.090 0.000 1.156 79 F HN 0.519 nan 8.300 nan 0.000 0.463 80 N N 1.849 120.533 118.700 -0.027 0.000 2.422 80 N HA 0.271 5.011 4.740 0.001 0.000 0.266 80 N C 0.383 175.902 175.510 0.016 0.000 1.007 80 N CA 0.098 53.182 53.050 0.056 0.000 0.941 80 N CB 1.860 40.435 38.487 0.147 0.000 1.115 80 N HN 0.823 nan 8.380 nan 0.000 0.492 81 A N 3.591 126.369 122.820 -0.069 0.000 1.930 81 A HA -0.152 4.169 4.320 0.001 0.000 0.217 81 A C 1.860 179.246 177.584 -0.331 0.000 1.175 81 A CA 1.308 53.208 52.037 -0.228 0.000 0.627 81 A CB -0.358 18.299 19.000 -0.572 0.000 0.815 81 A HN 0.779 nan 8.150 nan 0.000 0.443 82 E N -0.775 119.226 120.200 -0.332 0.000 2.051 82 E HA -0.159 4.192 4.350 0.001 0.000 0.192 82 E C 1.372 177.691 176.600 -0.469 0.000 0.991 82 E CA 1.814 58.008 56.400 -0.342 0.000 0.799 82 E CB -0.382 29.076 29.700 -0.403 0.000 0.748 82 E HN 0.743 nan 8.360 nan 0.000 0.449 83 Y N -2.214 118.100 120.300 0.024 0.000 2.498 83 Y HA 0.336 4.887 4.550 0.001 0.000 0.259 83 Y C 1.649 177.567 175.900 0.030 0.000 1.086 83 Y CA 0.262 58.378 58.100 0.025 0.000 1.287 83 Y CB 1.017 39.490 38.460 0.022 0.000 1.146 83 Y HN 0.200 nan 8.280 nan 0.000 0.523 84 G N 0.810 109.707 108.800 0.162 0.000 2.175 84 G HA2 -0.292 3.669 3.960 0.001 0.000 0.244 84 G HA3 -0.292 3.669 3.960 0.001 0.000 0.244 84 G C -0.095 174.928 174.900 0.205 0.000 0.982 84 G CA 0.073 45.281 45.100 0.179 0.000 0.641 84 G HN 0.421 nan 8.290 nan 0.000 0.527 85 N N 0.733 119.513 118.700 0.133 0.000 2.503 85 N HA 0.552 5.293 4.740 0.001 0.000 0.267 85 N C 0.112 175.543 175.510 -0.131 0.000 1.214 85 N CA 0.709 53.770 53.050 0.018 0.000 0.959 85 N CB 1.602 40.093 38.487 0.008 0.000 1.142 85 N HN 0.942 nan 8.380 nan 0.000 0.455 86 S N -0.143 115.375 115.700 -0.303 0.000 2.697 86 S HA 0.764 5.234 4.470 0.001 0.000 0.289 86 S C -0.883 173.515 174.600 -0.338 0.000 1.149 86 S CA -0.782 57.076 58.200 -0.570 0.000 0.850 86 S CB 1.594 63.956 63.200 -1.397 0.000 1.151 86 S HN 0.627 nan 8.310 nan 0.000 0.491 87 S N -0.160 115.356 115.700 -0.306 0.000 2.588 87 S HA 0.607 5.078 4.470 0.001 0.000 0.275 87 S C -1.072 173.448 174.600 -0.134 0.000 1.130 87 S CA -0.714 57.385 58.200 -0.169 0.000 0.855 87 S CB 1.633 64.772 63.200 -0.102 0.000 1.116 87 S HN 0.759 nan 8.310 nan 0.000 0.472 88 V N 2.775 122.633 119.914 -0.093 0.000 2.508 88 V HA 0.221 4.342 4.120 0.001 0.000 0.281 88 V C 0.347 176.430 176.094 -0.019 0.000 1.041 88 V CA 0.225 62.490 62.300 -0.057 0.000 1.016 88 V CB 0.471 32.249 31.823 -0.074 0.000 0.984 88 V HN 0.945 nan 8.190 nan 0.000 0.478 89 F N 5.265 125.150 119.950 -0.107 0.000 2.437 89 F HA 0.447 4.975 4.527 0.001 0.000 0.288 89 F C 0.289 176.035 175.800 -0.090 0.000 1.085 89 F CA 0.509 58.457 58.000 -0.086 0.000 1.430 89 F CB 0.613 39.573 39.000 -0.066 0.000 1.120 89 F HN 0.362 nan 8.300 nan 0.000 0.556 90 L N 1.233 122.487 121.223 0.053 0.000 2.505 90 L HA 0.354 4.694 4.340 0.001 0.000 0.266 90 L C -1.063 175.743 176.870 -0.107 0.000 0.954 90 L CA -0.606 54.196 54.840 -0.064 0.000 0.852 90 L CB 1.467 43.553 42.059 0.045 0.000 1.282 90 L HN -0.177 nan 8.230 nan 0.000 0.403 91 E N 3.033 123.129 120.200 -0.173 0.000 2.384 91 E HA 0.084 4.434 4.350 0.001 0.000 0.266 91 E C 0.652 177.156 176.600 -0.161 0.000 1.012 91 E CA -0.028 56.275 56.400 -0.161 0.000 0.901 91 E CB 0.683 30.274 29.700 -0.181 0.000 0.967 91 E HN 0.605 nan 8.360 nan 0.000 0.435 92 N N 0.730 119.364 118.700 -0.110 0.000 2.573 92 N HA -0.143 4.598 4.740 0.001 0.000 0.187 92 N C 0.833 176.297 175.510 -0.076 0.000 1.107 92 N CA 0.701 53.703 53.050 -0.080 0.000 0.918 92 N CB 0.044 38.494 38.487 -0.062 0.000 0.966 92 N HN 0.236 nan 8.380 nan 0.000 0.448 93 S N -1.990 113.641 115.700 -0.115 0.000 2.578 93 S HA 0.146 4.616 4.470 0.001 0.000 0.231 93 S C 1.234 175.720 174.600 -0.190 0.000 0.994 93 S CA -0.383 57.752 58.200 -0.109 0.000 0.956 93 S CB -0.091 63.056 63.200 -0.088 0.000 0.870 93 S HN 0.110 nan 8.310 nan 0.000 0.494 94 T N 1.737 116.084 114.554 -0.346 0.000 2.788 94 T HA 0.060 4.411 4.350 0.001 0.000 0.268 94 T C 0.268 174.518 174.700 -0.752 0.000 1.044 94 T CA 1.239 62.955 62.100 -0.640 0.000 1.139 94 T CB -0.429 67.813 68.868 -1.042 0.000 0.867 94 T HN 0.569 nan 8.240 nan 0.000 0.454 95 F N 0.800 120.646 119.950 -0.174 0.000 2.684 95 F HA 0.361 4.889 4.527 0.001 0.000 0.298 95 F C 1.213 177.009 175.800 -0.008 0.000 1.120 95 F CA -1.290 56.643 58.000 -0.112 0.000 1.332 95 F CB -0.327 38.522 39.000 -0.252 0.000 0.986 95 F HN -0.034 nan 8.300 nan 0.000 0.524 96 D N 1.202 121.633 120.400 0.051 0.000 2.239 96 D HA -0.201 4.440 4.640 0.001 0.000 0.202 96 D C 0.734 177.074 176.300 0.066 0.000 0.993 96 D CA 1.565 55.590 54.000 0.042 0.000 0.874 96 D CB 0.089 40.882 40.800 -0.010 0.000 0.922 96 D HN 0.378 nan 8.370 nan 0.000 0.464 97 E N -1.598 118.660 120.200 0.097 0.000 3.575 97 E HA 0.112 4.462 4.350 0.001 0.000 0.201 97 E C 0.152 176.820 176.600 0.113 0.000 0.999 97 E CA -0.309 56.133 56.400 0.070 0.000 1.315 97 E CB 0.167 29.886 29.700 0.031 0.000 1.146 97 E HN 0.134 nan 8.360 nan 0.000 0.453 98 F N 1.108 121.067 119.950 0.014 0.000 2.407 98 F HA 0.124 4.652 4.527 0.001 0.000 0.299 98 F C 1.737 177.462 175.800 -0.126 0.000 1.097 98 F CA 1.551 59.550 58.000 -0.002 0.000 1.422 98 F CB 0.196 39.206 39.000 0.015 0.000 1.067 98 F HN 0.278 nan 8.300 nan 0.000 0.539 99 G N 0.165 108.811 108.800 -0.258 0.000 2.143 99 G HA2 -0.258 3.703 3.960 0.001 0.000 0.248 99 G HA3 -0.258 3.703 3.960 0.001 0.000 0.248 99 G C -0.098 174.330 174.900 -0.787 0.000 0.991 99 G CA 0.471 45.272 45.100 -0.499 0.000 0.689 99 G HN 0.571 nan 8.290 nan 0.000 0.522 100 H N -0.845 118.096 119.070 -0.216 0.000 3.046 100 H HA 0.453 5.010 4.556 0.001 0.000 0.363 100 H C -0.753 174.640 175.328 0.109 0.000 1.203 100 H CA -0.357 55.623 56.048 -0.113 0.000 1.169 100 H CB 1.501 30.976 29.762 -0.478 0.000 1.851 100 H HN 0.098 nan 8.280 nan 0.000 0.546 101 S N 2.556 118.406 115.700 0.249 0.000 2.448 101 S HA 0.259 4.730 4.470 0.001 0.000 0.279 101 S C 0.833 175.545 174.600 0.187 0.000 1.195 101 S CA -0.550 57.753 58.200 0.172 0.000 1.051 101 S CB -0.345 62.927 63.200 0.121 0.000 0.948 101 S HN 0.268 nan 8.310 nan 0.000 0.493 102 I N 4.129 124.766 120.570 0.111 0.000 2.436 102 I HA 0.081 4.252 4.170 0.001 0.000 0.289 102 I C 1.465 177.599 176.117 0.029 0.000 1.083 102 I CA -0.257 61.069 61.300 0.044 0.000 1.372 102 I CB 0.587 38.523 38.000 -0.107 0.000 1.408 102 I HN 0.620 nan 8.210 nan 0.000 0.516 103 N N 4.157 122.871 118.700 0.024 0.000 2.173 103 N HA -0.076 4.665 4.740 0.001 0.000 0.184 103 N C 0.201 175.678 175.510 -0.055 0.000 1.025 103 N CA 1.255 54.270 53.050 -0.059 0.000 0.852 103 N CB 0.413 38.832 38.487 -0.113 0.000 0.998 103 N HN 0.662 nan 8.380 nan 0.000 0.427 104 D N -2.847 117.551 120.400 -0.003 0.000 2.677 104 D HA 0.206 4.846 4.640 0.001 0.000 0.298 104 D C -1.602 174.769 176.300 0.119 0.000 1.250 104 D CA -0.509 53.508 54.000 0.029 0.000 0.888 104 D CB 1.099 41.877 40.800 -0.037 0.000 1.397 104 D HN 0.117 nan 8.370 nan 0.000 0.461 105 Y N -1.394 118.925 120.300 0.032 0.000 2.609 105 Y HA 0.734 5.285 4.550 0.001 0.000 0.342 105 Y C -1.109 174.867 175.900 0.127 0.000 1.058 105 Y CA -0.994 57.141 58.100 0.059 0.000 1.055 105 Y CB 1.737 40.215 38.460 0.030 0.000 1.292 105 Y HN 0.141 nan 8.280 nan 0.000 0.476 106 S N 2.155 118.033 115.700 0.297 0.000 2.653 106 S HA 0.544 5.015 4.470 0.001 0.000 0.268 106 S C -1.703 173.214 174.600 0.529 0.000 1.153 106 S CA -0.460 57.910 58.200 0.285 0.000 1.036 106 S CB 0.057 63.410 63.200 0.255 0.000 1.103 106 S HN 0.657 nan 8.310 nan 0.000 0.466 107 I N 4.515 125.307 120.570 0.370 0.000 2.474 107 I HA 0.285 4.456 4.170 0.001 0.000 0.287 107 I C 1.066 177.110 176.117 -0.123 0.000 1.048 107 I CA 0.123 61.550 61.300 0.212 0.000 1.383 107 I CB 1.613 39.678 38.000 0.109 0.000 1.412 107 I HN 0.748 nan 8.210 nan 0.000 0.531 108 S N 5.885 121.230 115.700 -0.590 0.000 2.576 108 S HA 0.152 4.622 4.470 0.001 0.000 0.272 108 S C -1.831 172.509 174.600 -0.434 0.000 1.352 108 S CA -0.828 56.638 58.200 -1.223 0.000 1.021 108 S CB 0.210 62.580 63.200 -1.385 0.000 0.887 108 S HN 0.450 nan 8.310 nan 0.000 0.542 109 P HA -0.126 nan 4.420 nan 0.000 0.216 109 P C 0.714 177.971 177.300 -0.072 0.000 1.150 109 P CA 1.568 64.601 63.100 -0.112 0.000 0.837 109 P CB -0.205 31.449 31.700 -0.076 0.000 0.786 110 D N -1.973 118.380 120.400 -0.078 0.000 2.336 110 D HA 0.079 4.720 4.640 0.001 0.000 0.229 110 D C 1.409 177.710 176.300 0.001 0.000 1.061 110 D CA 0.574 54.567 54.000 -0.011 0.000 0.875 110 D CB -1.217 39.607 40.800 0.041 0.000 0.904 110 D HN 0.191 nan 8.370 nan 0.000 0.525 111 G N 0.175 108.972 108.800 -0.005 0.000 2.196 111 G HA2 -0.444 3.517 3.960 0.001 0.000 0.268 111 G HA3 -0.444 3.517 3.960 0.001 0.000 0.268 111 G C 1.023 175.956 174.900 0.056 0.000 0.975 111 G CA 0.697 45.867 45.100 0.118 0.000 0.648 111 G HN 0.476 nan 8.290 nan 0.000 0.538 112 Q N -1.579 118.151 119.800 -0.117 0.000 2.245 112 Q HA 0.322 4.663 4.340 0.001 0.000 0.201 112 Q C 0.445 176.038 176.000 -0.679 0.000 0.955 112 Q CA 0.729 56.277 55.803 -0.424 0.000 0.870 112 Q CB 0.234 28.635 28.738 -0.561 0.000 0.945 112 Q HN 0.589 nan 8.270 nan 0.000 0.461 113 F N -0.889 119.006 119.950 -0.093 0.000 2.640 113 F HA 0.545 5.073 4.527 0.001 0.000 0.324 113 F C -0.589 175.319 175.800 0.180 0.000 1.077 113 F CA -1.247 56.774 58.000 0.034 0.000 0.965 113 F CB 1.672 40.684 39.000 0.020 0.000 1.351 113 F HN -0.224 nan 8.300 nan 0.000 0.487 114 I N 2.286 123.217 120.570 0.602 0.000 2.571 114 I HA 0.468 4.639 4.170 0.001 0.000 0.289 114 I C -1.981 174.468 176.117 0.552 0.000 1.115 114 I CA -0.944 60.692 61.300 0.560 0.000 1.045 114 I CB 1.549 39.831 38.000 0.471 0.000 1.238 114 I HN 0.516 nan 8.210 nan 0.000 0.424 115 L N 8.200 129.759 121.223 0.560 0.000 2.276 115 L HA 0.525 4.866 4.340 0.001 0.000 0.286 115 L C -1.271 175.741 176.870 0.237 0.000 1.061 115 L CA -0.015 55.024 54.840 0.332 0.000 0.807 115 L CB 1.086 43.238 42.059 0.155 0.000 1.177 115 L HN 0.501 nan 8.230 nan 0.000 0.429 116 L N 5.036 126.339 121.223 0.133 0.000 2.287 116 L HA 0.508 4.849 4.340 0.001 0.000 0.287 116 L C -0.148 176.789 176.870 0.111 0.000 1.022 116 L CA -0.457 54.370 54.840 -0.023 0.000 0.814 116 L CB 1.544 43.351 42.059 -0.420 0.000 1.217 116 L HN 0.619 nan 8.230 nan 0.000 0.420 117 E N 3.752 123.990 120.200 0.063 0.000 2.156 117 E HA 0.463 4.814 4.350 0.001 0.000 0.279 117 E C -1.635 174.981 176.600 0.026 0.000 0.965 117 E CA -0.519 55.809 56.400 -0.120 0.000 0.789 117 E CB 1.163 30.841 29.700 -0.036 0.000 1.098 117 E HN 0.441 nan 8.360 nan 0.000 0.397 118 Y N 1.625 121.768 120.300 -0.262 0.000 2.689 118 Y HA 0.451 5.001 4.550 0.001 0.000 0.333 118 Y C -0.204 175.611 175.900 -0.142 0.000 1.190 118 Y CA -1.716 56.311 58.100 -0.122 0.000 1.063 118 Y CB 0.542 38.987 38.460 -0.025 0.000 1.294 118 Y HN 0.531 nan 8.280 nan 0.000 0.466 119 N N -0.363 118.312 118.700 -0.042 0.000 2.754 119 N HA -0.289 4.452 4.740 0.001 0.000 0.248 119 N C -0.993 174.474 175.510 -0.071 0.000 1.093 119 N CA 0.946 53.933 53.050 -0.106 0.000 0.699 119 N CB -1.568 36.734 38.487 -0.308 0.000 1.016 119 N HN 0.886 nan 8.380 nan 0.000 0.552 120 Y N 0.343 120.565 120.300 -0.130 0.000 2.632 120 Y HA 0.252 4.803 4.550 0.001 0.000 0.329 120 Y C 0.089 175.947 175.900 -0.070 0.000 1.174 120 Y CA 0.139 58.166 58.100 -0.123 0.000 1.469 120 Y CB 0.659 39.008 38.460 -0.186 0.000 1.242 120 Y HN -0.015 nan 8.280 nan 0.000 0.540 121 V N 7.957 127.538 119.914 -0.554 0.000 2.447 121 V HA 0.210 4.330 4.120 0.001 0.000 0.292 121 V C -0.318 175.389 176.094 -0.645 0.000 1.021 121 V CA -1.417 60.625 62.300 -0.431 0.000 0.850 121 V CB 1.349 33.044 31.823 -0.213 0.000 1.005 121 V HN 0.750 nan 8.190 nan 0.000 0.426 122 K N 3.693 123.738 120.400 -0.590 0.000 2.355 122 K HA 0.291 4.612 4.320 0.001 0.000 0.270 122 K C 0.313 176.753 176.600 -0.266 0.000 1.003 122 K CA 0.109 56.178 56.287 -0.365 0.000 0.957 122 K CB 1.277 33.763 32.500 -0.023 0.000 0.939 122 K HN 0.814 nan 8.250 nan 0.000 0.482 123 Q N 2.500 122.125 119.800 -0.291 0.000 2.653 123 Q HA 0.187 4.527 4.340 0.001 0.000 0.212 123 Q C -0.006 175.764 176.000 -0.383 0.000 0.951 123 Q CA -0.451 54.987 55.803 -0.608 0.000 0.535 123 Q CB 0.152 28.340 28.738 -0.916 0.000 3.737 123 Q HN 0.726 nan 8.270 nan 0.000 0.401 124 W N 0.286 121.581 121.300 -0.007 0.000 1.763 124 W HA 0.289 4.949 4.660 0.001 0.000 0.619 124 W C 1.827 178.329 176.519 -0.028 0.000 1.755 124 W CA -0.517 56.843 57.345 0.026 0.000 1.933 124 W CB -0.178 29.246 29.460 -0.061 0.000 3.002 124 W HN 0.359 nan 8.180 nan 0.000 0.782 125 R N -0.643 119.957 120.500 0.167 0.000 2.096 125 R HA -0.145 4.196 4.340 0.001 0.000 0.235 125 R C 1.674 177.810 176.300 -0.273 0.000 1.127 125 R CA 1.995 58.014 56.100 -0.135 0.000 0.968 125 R CB -0.432 29.652 30.300 -0.360 0.000 0.861 125 R HN 0.470 nan 8.270 nan 0.000 0.440 126 H N -1.223 117.915 119.070 0.114 0.000 2.926 126 H HA 0.204 4.761 4.556 0.001 0.000 0.249 126 H C 0.487 175.897 175.328 0.137 0.000 0.963 126 H CA 0.506 56.641 56.048 0.145 0.000 1.158 126 H CB 0.075 29.896 29.762 0.098 0.000 1.445 126 H HN 0.218 nan 8.280 nan 0.000 0.452 127 S N 1.357 117.039 115.700 -0.030 0.000 2.579 127 S HA 0.321 4.791 4.470 0.001 0.000 0.275 127 S C -0.228 174.247 174.600 -0.208 0.000 1.345 127 S CA -0.326 57.559 58.200 -0.525 0.000 1.031 127 S CB 0.537 62.845 63.200 -1.486 0.000 0.892 127 S HN 0.464 nan 8.310 nan 0.000 0.529 128 Y N -2.459 117.691 120.300 -0.251 0.000 2.765 128 Y HA 0.599 5.150 4.550 0.001 0.000 0.350 128 Y C -0.917 174.954 175.900 -0.049 0.000 1.196 128 Y CA -0.808 57.144 58.100 -0.246 0.000 1.119 128 Y CB 0.414 38.668 38.460 -0.343 0.000 1.368 128 Y HN 0.934 nan 8.280 nan 0.000 0.463 129 T N 0.082 114.685 114.554 0.083 0.000 2.908 129 T HA 1.025 5.376 4.350 0.001 0.000 0.290 129 T C -0.508 174.264 174.700 0.120 0.000 1.034 129 T CA -0.083 62.080 62.100 0.104 0.000 1.010 129 T CB 1.790 70.672 68.868 0.022 0.000 1.068 129 T HN 1.909 nan 8.240 nan 0.000 0.481 130 A N 1.140 124.011 122.820 0.086 0.000 2.581 130 A HA 0.813 5.133 4.320 0.001 0.000 0.290 130 A C -0.701 176.643 177.584 -0.400 0.000 1.119 130 A CA -1.010 50.922 52.037 -0.176 0.000 0.670 130 A CB 1.118 19.996 19.000 -0.204 0.000 1.280 130 A HN 0.881 nan 8.150 nan 0.000 0.425 131 S N -0.532 114.690 115.700 -0.797 0.000 2.537 131 S HA 0.785 5.256 4.470 0.001 0.000 0.301 131 S C -1.499 172.453 174.600 -1.081 0.000 1.092 131 S CA -0.111 57.552 58.200 -0.894 0.000 1.048 131 S CB 0.703 63.123 63.200 -1.300 0.000 1.053 131 S HN 0.443 nan 8.310 nan 0.000 0.501 132 Y N 0.322 120.453 120.300 -0.281 0.000 2.536 132 Y HA 0.612 5.163 4.550 0.001 0.000 0.347 132 Y C -0.380 175.588 175.900 0.113 0.000 1.000 132 Y CA -1.011 57.065 58.100 -0.041 0.000 1.051 132 Y CB 1.705 40.063 38.460 -0.170 0.000 1.259 132 Y HN 0.486 nan 8.280 nan 0.000 0.468 133 D N 1.258 121.857 120.400 0.332 0.000 2.732 133 D HA 0.573 5.213 4.640 0.001 0.000 0.229 133 D C -1.161 175.253 176.300 0.190 0.000 1.152 133 D CA -0.359 53.796 54.000 0.258 0.000 0.854 133 D CB 2.211 43.228 40.800 0.361 0.000 1.590 133 D HN 0.352 nan 8.370 nan 0.000 0.468 134 I N 1.818 122.500 120.570 0.186 0.000 2.406 134 I HA 0.318 4.489 4.170 0.001 0.000 0.290 134 I C -1.063 175.263 176.117 0.349 0.000 0.999 134 I CA -1.067 60.385 61.300 0.252 0.000 1.124 134 I CB 1.424 39.528 38.000 0.174 0.000 1.289 134 I HN 0.281 nan 8.210 nan 0.000 0.441 135 Y N 5.380 125.853 120.300 0.288 0.000 2.341 135 Y HA 0.284 4.835 4.550 0.001 0.000 0.337 135 Y C -0.111 175.985 175.900 0.326 0.000 1.014 135 Y CA -0.539 57.742 58.100 0.302 0.000 1.111 135 Y CB 1.182 39.867 38.460 0.375 0.000 1.194 135 Y HN 0.486 nan 8.280 nan 0.000 0.462 136 D N 6.490 126.749 120.400 -0.235 0.000 2.365 136 D HA 0.088 4.729 4.640 0.001 0.000 0.237 136 D C 0.748 176.750 176.300 -0.497 0.000 1.190 136 D CA 0.332 54.183 54.000 -0.248 0.000 0.867 136 D CB 0.978 41.672 40.800 -0.176 0.000 1.050 136 D HN 0.876 nan 8.370 nan 0.000 0.491 137 L N 3.797 124.848 121.223 -0.287 0.000 2.093 137 L HA -0.170 4.170 4.340 0.001 0.000 0.208 137 L C 2.160 178.884 176.870 -0.244 0.000 1.085 137 L CA 0.675 55.419 54.840 -0.160 0.000 0.755 137 L CB -0.227 41.763 42.059 -0.115 0.000 0.904 137 L HN 0.376 nan 8.230 nan 0.000 0.435 138 N N 0.956 119.466 118.700 -0.317 0.000 2.084 138 N HA -0.189 4.552 4.740 0.001 0.000 0.190 138 N C 1.471 176.857 175.510 -0.207 0.000 1.030 138 N CA 1.515 54.415 53.050 -0.250 0.000 0.849 138 N CB -0.220 38.109 38.487 -0.263 0.000 1.012 138 N HN 0.472 nan 8.380 nan 0.000 0.423 139 K N 0.922 121.183 120.400 -0.231 0.000 2.446 139 K HA 0.204 4.525 4.320 0.001 0.000 0.203 139 K C -0.369 176.096 176.600 -0.225 0.000 1.027 139 K CA -0.355 55.821 56.287 -0.186 0.000 1.166 139 K CB 0.442 32.852 32.500 -0.149 0.000 0.869 139 K HN -0.211 nan 8.250 nan 0.000 0.504 140 R N 1.615 121.941 120.500 -0.290 0.000 3.118 140 R HA -0.172 4.169 4.340 0.001 0.000 0.238 140 R C -0.914 175.141 176.300 -0.408 0.000 0.884 140 R CA 0.949 56.865 56.100 -0.308 0.000 0.601 140 R CB -1.942 28.324 30.300 -0.056 0.000 1.009 140 R HN 0.604 nan 8.270 nan 0.000 0.478 141 Q N -0.026 119.374 119.800 -0.668 0.000 2.389 141 Q HA 0.403 4.743 4.340 0.001 0.000 0.277 141 Q C -0.514 175.296 176.000 -0.318 0.000 1.082 141 Q CA -1.219 54.385 55.803 -0.332 0.000 0.810 141 Q CB 2.169 30.817 28.738 -0.150 0.000 1.374 141 Q HN 0.123 nan 8.270 nan 0.000 0.422 142 L N 2.877 124.135 121.223 0.059 0.000 2.270 142 L HA 0.351 4.692 4.340 0.001 0.000 0.286 142 L C -0.269 176.691 176.870 0.149 0.000 1.059 142 L CA -0.023 54.964 54.840 0.246 0.000 0.839 142 L CB 0.149 42.452 42.059 0.407 0.000 1.221 142 L HN 0.561 nan 8.230 nan 0.000 0.431 143 I N 4.103 124.750 120.570 0.129 0.000 2.906 143 I HA -0.092 4.079 4.170 0.001 0.000 0.302 143 I C 1.089 177.256 176.117 0.083 0.000 1.220 143 I CA 0.888 62.242 61.300 0.090 0.000 1.441 143 I CB 0.288 38.339 38.000 0.085 0.000 1.336 143 I HN 0.766 nan 8.210 nan 0.000 0.565 144 T N 0.696 115.282 114.554 0.052 0.000 3.043 144 T HA 0.259 4.609 4.350 0.001 0.000 0.272 144 T C 0.298 175.003 174.700 0.008 0.000 0.990 144 T CA -0.465 61.659 62.100 0.039 0.000 0.897 144 T CB 0.074 68.966 68.868 0.039 0.000 1.111 144 T HN 0.545 nan 8.240 nan 0.000 0.529 145 E N 2.078 122.278 120.200 -0.001 0.000 2.214 145 E HA 0.436 4.787 4.350 0.001 0.000 0.274 145 E C -0.359 176.216 176.600 -0.043 0.000 0.977 145 E CA -0.841 55.547 56.400 -0.020 0.000 0.827 145 E CB 0.619 30.311 29.700 -0.013 0.000 1.130 145 E HN 0.070 nan 8.360 nan 0.000 0.394 146 E N 1.367 121.528 120.200 -0.065 0.000 2.199 146 E HA -0.262 4.089 4.350 0.001 0.000 0.208 146 E C -0.707 175.820 176.600 -0.122 0.000 1.310 146 E CA 0.718 57.060 56.400 -0.097 0.000 0.709 146 E CB -1.688 27.961 29.700 -0.085 0.000 1.127 146 E HN 0.527 nan 8.360 nan 0.000 0.354 147 R N -0.295 120.128 120.500 -0.127 0.000 2.582 147 R HA 0.511 4.852 4.340 0.001 0.000 0.271 147 R C 0.975 177.108 176.300 -0.278 0.000 1.078 147 R CA -0.751 55.260 56.100 -0.148 0.000 1.127 147 R CB 0.710 30.962 30.300 -0.079 0.000 1.038 147 R HN 0.024 nan 8.270 nan 0.000 0.500 148 I N 2.715 123.073 120.570 -0.353 0.000 2.845 148 I HA -0.028 4.143 4.170 0.001 0.000 0.296 148 I C -1.675 174.107 176.117 -0.559 0.000 1.216 148 I CA -1.380 59.530 61.300 -0.650 0.000 1.438 148 I CB 0.052 37.663 38.000 -0.649 0.000 1.342 148 I HN 0.410 nan 8.210 nan 0.000 0.577 149 P HA 0.055 nan 4.420 nan 0.000 0.271 149 P C -0.632 176.451 177.300 -0.361 0.000 1.233 149 P CA -0.278 62.398 63.100 -0.707 0.000 0.789 149 P CB 0.408 31.186 31.700 -1.537 0.000 0.951 150 N N 2.026 120.622 118.700 -0.174 0.000 2.483 150 N HA 0.069 4.810 4.740 0.001 0.000 0.269 150 N C 0.295 175.893 175.510 0.145 0.000 1.209 150 N CA 0.053 53.067 53.050 -0.060 0.000 0.969 150 N CB -0.047 38.407 38.487 -0.055 0.000 1.173 150 N HN 0.440 nan 8.380 nan 0.000 0.475 151 N N -0.423 118.324 118.700 0.079 0.000 2.776 151 N HA -0.149 4.592 4.740 0.001 0.000 0.249 151 N C -0.850 174.817 175.510 0.262 0.000 1.111 151 N CA 0.624 53.753 53.050 0.131 0.000 0.711 151 N CB -1.418 37.146 38.487 0.128 0.000 1.065 151 N HN 0.470 nan 8.380 nan 0.000 0.556 152 T N 0.747 115.462 114.554 0.268 0.000 2.884 152 T HA 0.132 4.483 4.350 0.001 0.000 0.298 152 T C 1.683 176.533 174.700 0.250 0.000 0.998 152 T CA 0.068 62.358 62.100 0.317 0.000 1.124 152 T CB 1.365 70.331 68.868 0.162 0.000 0.931 152 T HN 0.156 nan 8.240 nan 0.000 0.531 153 Q N 1.869 121.799 119.800 0.218 0.000 2.212 153 Q HA 0.143 4.484 4.340 0.001 0.000 0.199 153 Q C 0.192 176.321 176.000 0.215 0.000 0.950 153 Q CA 0.558 56.486 55.803 0.208 0.000 0.863 153 Q CB 0.696 29.500 28.738 0.111 0.000 0.944 153 Q HN 0.693 nan 8.270 nan 0.000 0.465 154 W N -0.503 120.731 121.300 -0.110 0.000 3.363 154 W HA 0.526 5.187 4.660 0.001 0.000 0.306 154 W C -2.248 174.160 176.519 -0.184 0.000 1.253 154 W CA -0.761 56.473 57.345 -0.185 0.000 1.195 154 W CB 1.389 30.678 29.460 -0.286 0.000 1.366 154 W HN -0.274 nan 8.180 nan 0.000 0.551 155 V N 3.878 122.999 119.914 -1.323 0.000 3.048 155 V HA 0.777 4.898 4.120 0.001 0.000 0.303 155 V C -1.502 173.854 176.094 -1.231 0.000 1.214 155 V CA -0.061 61.604 62.300 -1.058 0.000 0.984 155 V CB 2.321 33.486 31.823 -1.096 0.000 1.054 155 V HN 0.639 nan 8.190 nan 0.000 0.430 156 T N 4.923 119.089 114.554 -0.646 0.000 3.012 156 T HA 0.496 4.847 4.350 0.001 0.000 0.330 156 T C -1.498 173.192 174.700 -0.017 0.000 1.321 156 T CA -0.300 61.625 62.100 -0.292 0.000 1.067 156 T CB 0.941 69.850 68.868 0.069 0.000 1.235 156 T HN 0.704 nan 8.240 nan 0.000 0.479 157 W N 2.970 124.306 121.300 0.060 0.000 2.161 157 W HA 0.483 5.144 4.660 0.001 0.000 0.344 157 W C 1.246 177.679 176.519 -0.144 0.000 1.262 157 W CA -0.672 56.677 57.345 0.007 0.000 1.270 157 W CB 0.770 30.227 29.460 -0.004 0.000 1.126 157 W HN 0.819 nan 8.180 nan 0.000 0.598 158 S N 1.929 117.475 115.700 -0.258 0.000 2.589 158 S HA 0.098 4.569 4.470 0.001 0.000 0.265 158 S C -1.415 172.900 174.600 -0.474 0.000 1.342 158 S CA -0.973 56.459 58.200 -1.281 0.000 1.005 158 S CB 0.817 63.185 63.200 -1.386 0.000 0.909 158 S HN 0.405 nan 8.310 nan 0.000 0.555 159 P HA 0.035 nan 4.420 nan 0.000 0.220 159 P C 0.044 177.288 177.300 -0.092 0.000 1.148 159 P CA 0.728 63.773 63.100 -0.092 0.000 0.803 159 P CB 0.002 31.696 31.700 -0.010 0.000 0.782 160 V N -1.526 118.283 119.914 -0.175 0.000 3.001 160 V HA 0.640 4.760 4.120 0.001 0.000 0.314 160 V C 0.904 176.883 176.094 -0.191 0.000 1.099 160 V CA 0.076 62.296 62.300 -0.134 0.000 0.989 160 V CB 0.952 32.710 31.823 -0.109 0.000 1.040 160 V HN 0.452 nan 8.190 nan 0.000 0.434 161 G N 2.182 110.892 108.800 -0.150 0.000 2.531 161 G HA2 -0.215 3.746 3.960 0.001 0.000 0.274 161 G HA3 -0.215 3.746 3.960 0.001 0.000 0.274 161 G C 0.124 174.924 174.900 -0.165 0.000 1.159 161 G CA 0.631 45.612 45.100 -0.198 0.000 0.969 161 G HN 1.905 nan 8.290 nan 0.000 0.554 162 H N -0.534 118.492 119.070 -0.074 0.000 3.233 162 H HA 0.428 4.985 4.556 0.001 0.000 0.232 162 H C 0.205 175.653 175.328 0.199 0.000 1.322 162 H CA -0.143 55.873 56.048 -0.052 0.000 1.043 162 H CB -0.320 29.437 29.762 -0.008 0.000 2.572 162 H HN 0.533 nan 8.280 nan 0.000 0.597 163 K N 1.406 121.855 120.400 0.081 0.000 2.107 163 K HA 0.574 4.894 4.320 0.001 0.000 0.251 163 K C -0.369 176.407 176.600 0.294 0.000 1.012 163 K CA -0.546 55.813 56.287 0.120 0.000 0.920 163 K CB 1.707 34.134 32.500 -0.122 0.000 1.033 163 K HN 0.098 nan 8.250 nan 0.000 0.478 164 L N 0.312 121.698 121.223 0.272 0.000 2.371 164 L HA 0.652 4.992 4.340 0.001 0.000 0.262 164 L C -1.211 175.849 176.870 0.318 0.000 1.006 164 L CA -0.874 54.073 54.840 0.178 0.000 0.818 164 L CB 2.248 44.257 42.059 -0.084 0.000 1.354 164 L HN 0.728 nan 8.230 nan 0.000 0.415 165 A N 1.883 124.834 122.820 0.219 0.000 2.437 165 A HA 0.748 5.069 4.320 0.001 0.000 0.293 165 A C -1.713 175.846 177.584 -0.040 0.000 1.038 165 A CA -0.380 51.677 52.037 0.033 0.000 0.708 165 A CB 1.071 20.010 19.000 -0.102 0.000 1.251 165 A HN 0.634 nan 8.150 nan 0.000 0.409 166 Y N -0.295 119.931 120.300 -0.123 0.000 2.581 166 Y HA 0.828 5.379 4.550 0.001 0.000 0.345 166 Y C -1.110 174.781 175.900 -0.015 0.000 1.036 166 Y CA -1.607 56.394 58.100 -0.165 0.000 1.042 166 Y CB 1.317 39.617 38.460 -0.267 0.000 1.289 166 Y HN 0.390 nan 8.280 nan 0.000 0.471 167 V N 2.006 122.037 119.914 0.195 0.000 2.495 167 V HA 0.386 4.507 4.120 0.001 0.000 0.298 167 V C -1.464 174.850 176.094 0.366 0.000 1.031 167 V CA -0.620 61.775 62.300 0.159 0.000 0.871 167 V CB 1.459 33.288 31.823 0.010 0.000 0.988 167 V HN 0.879 nan 8.190 nan 0.000 0.432 168 W N 4.516 125.917 121.300 0.168 0.000 3.097 168 W HA 0.455 5.116 4.660 0.001 0.000 0.335 168 W C 0.296 176.865 176.519 0.084 0.000 1.114 168 W CA -0.837 56.583 57.345 0.126 0.000 1.231 168 W CB 1.288 30.814 29.460 0.110 0.000 1.388 168 W HN 0.780 nan 8.180 nan 0.000 0.485 169 N N 5.249 123.632 118.700 -0.528 0.000 2.710 169 N HA -0.357 4.384 4.740 0.001 0.000 0.249 169 N C 0.083 175.436 175.510 -0.261 0.000 1.059 169 N CA 1.072 53.800 53.050 -0.535 0.000 0.720 169 N CB -1.069 36.911 38.487 -0.845 0.000 0.983 169 N HN 0.788 nan 8.380 nan 0.000 0.544 170 N N -1.995 116.604 118.700 -0.168 0.000 2.800 170 N HA -0.169 4.571 4.740 0.001 0.000 0.250 170 N C -1.329 174.098 175.510 -0.139 0.000 1.078 170 N CA 1.032 53.995 53.050 -0.145 0.000 0.804 170 N CB -0.353 38.008 38.487 -0.210 0.000 1.135 170 N HN 0.443 nan 8.380 nan 0.000 0.565 171 D N 0.442 120.770 120.400 -0.119 0.000 2.527 171 D HA 0.503 5.143 4.640 0.001 0.000 0.233 171 D C 0.087 176.184 176.300 -0.338 0.000 1.063 171 D CA -0.375 53.465 54.000 -0.266 0.000 0.880 171 D CB 1.698 42.291 40.800 -0.344 0.000 1.457 171 D HN 0.018 nan 8.370 nan 0.000 0.475 172 I N 1.683 121.895 120.570 -0.597 0.000 2.385 172 I HA 0.263 4.433 4.170 0.001 0.000 0.294 172 I C -0.680 174.909 176.117 -0.880 0.000 0.988 172 I CA -0.495 60.434 61.300 -0.619 0.000 1.265 172 I CB 0.602 38.178 38.000 -0.707 0.000 1.388 172 I HN 0.157 nan 8.210 nan 0.000 0.480 173 Y N 4.113 124.025 120.300 -0.648 0.000 2.499 173 Y HA 0.655 5.206 4.550 0.001 0.000 0.347 173 Y C -0.323 175.232 175.900 -0.574 0.000 0.987 173 Y CA -0.958 56.718 58.100 -0.707 0.000 1.044 173 Y CB 2.083 39.829 38.460 -1.189 0.000 1.245 173 Y HN 0.114 nan 8.280 nan 0.000 0.461 174 V N 2.514 122.358 119.914 -0.117 0.000 2.638 174 V HA 0.457 4.578 4.120 0.001 0.000 0.306 174 V C -0.905 175.312 176.094 0.204 0.000 1.052 174 V CA -1.410 60.923 62.300 0.055 0.000 0.885 174 V CB 2.013 33.899 31.823 0.105 0.000 0.999 174 V HN 0.620 nan 8.190 nan 0.000 0.424 175 K N 4.289 124.815 120.400 0.209 0.000 2.425 175 K HA 0.488 4.809 4.320 0.001 0.000 0.259 175 K C 0.442 177.172 176.600 0.216 0.000 0.978 175 K CA -0.707 55.694 56.287 0.190 0.000 0.883 175 K CB 1.605 34.179 32.500 0.123 0.000 1.110 175 K HN 0.450 nan 8.250 nan 0.000 0.436 176 I N 1.199 121.922 120.570 0.255 0.000 2.394 176 I HA -0.097 4.073 4.170 0.001 0.000 0.251 176 I C 0.387 176.612 176.117 0.181 0.000 1.136 176 I CA 1.467 62.890 61.300 0.205 0.000 1.425 176 I CB -0.426 37.709 38.000 0.225 0.000 1.079 176 I HN 0.550 nan 8.210 nan 0.000 0.425 177 E N -0.491 119.801 120.200 0.154 0.000 2.293 177 E HA 0.292 4.642 4.350 0.001 0.000 0.270 177 E C -1.909 174.690 176.600 -0.002 0.000 0.879 177 E CA -2.002 54.469 56.400 0.118 0.000 0.756 177 E CB 1.977 31.743 29.700 0.110 0.000 1.208 177 E HN -0.182 nan 8.360 nan 0.000 0.428 178 P HA -0.148 nan 4.420 nan 0.000 0.218 178 P C 0.794 178.024 177.300 -0.116 0.000 1.148 178 P CA 1.290 64.253 63.100 -0.230 0.000 0.822 178 P CB 0.302 31.629 31.700 -0.622 0.000 0.784 179 N N -0.992 117.665 118.700 -0.072 0.000 2.270 179 N HA 0.019 4.760 4.740 0.001 0.000 0.198 179 N C -0.030 175.466 175.510 -0.024 0.000 1.117 179 N CA 0.175 53.209 53.050 -0.028 0.000 0.845 179 N CB -0.152 38.339 38.487 0.007 0.000 0.980 179 N HN 0.175 nan 8.380 nan 0.000 0.486 180 L N 1.191 122.398 121.223 -0.026 0.000 2.334 180 L HA 0.534 4.875 4.340 0.001 0.000 0.270 180 L C -2.122 174.701 176.870 -0.078 0.000 1.018 180 L CA -2.360 52.459 54.840 -0.035 0.000 0.811 180 L CB 1.817 43.872 42.059 -0.007 0.000 1.271 180 L HN -0.113 nan 8.230 nan 0.000 0.443 181 P HA 0.011 nan 4.420 nan 0.000 0.267 181 P C -0.745 176.400 177.300 -0.259 0.000 1.200 181 P CA -0.201 62.800 63.100 -0.165 0.000 0.772 181 P CB 0.822 32.421 31.700 -0.167 0.000 0.855 182 S N 2.064 117.657 115.700 -0.180 0.000 2.646 182 S HA 0.418 4.889 4.470 0.001 0.000 0.276 182 S C -0.608 173.870 174.600 -0.205 0.000 1.222 182 S CA -0.515 57.603 58.200 -0.137 0.000 1.014 182 S CB 0.197 63.426 63.200 0.049 0.000 0.991 182 S HN 0.306 nan 8.310 nan 0.000 0.533 183 Y N 0.394 120.717 120.300 0.038 0.000 2.320 183 Y HA 0.437 4.988 4.550 0.001 0.000 0.334 183 Y C 1.108 176.945 175.900 -0.105 0.000 1.055 183 Y CA -0.820 57.285 58.100 0.008 0.000 1.143 183 Y CB 0.854 39.316 38.460 0.004 0.000 1.193 183 Y HN 0.480 nan 8.280 nan 0.000 0.477 184 R N 3.911 124.391 120.500 -0.033 0.000 2.267 184 R HA 0.185 4.526 4.340 0.001 0.000 0.319 184 R C 0.299 176.373 176.300 -0.378 0.000 1.067 184 R CA 0.099 55.879 56.100 -0.534 0.000 0.936 184 R CB 0.582 30.390 30.300 -0.819 0.000 1.006 184 R HN 0.787 nan 8.270 nan 0.000 0.452 185 I N 1.361 121.602 120.570 -0.548 0.000 2.731 185 I HA -0.050 4.121 4.170 0.001 0.000 0.260 185 I C 1.277 177.199 176.117 -0.324 0.000 1.138 185 I CA 1.094 62.188 61.300 -0.345 0.000 1.461 185 I CB -0.480 37.258 38.000 -0.436 0.000 1.128 185 I HN 0.480 nan 8.210 nan 0.000 0.438 186 T N -3.746 110.469 114.554 -0.566 0.000 2.908 186 T HA 0.420 4.771 4.350 0.001 0.000 0.290 186 T C -0.637 173.753 174.700 -0.517 0.000 1.034 186 T CA -0.503 61.370 62.100 -0.378 0.000 1.010 186 T CB 2.046 70.662 68.868 -0.421 0.000 1.068 186 T HN 0.178 nan 8.240 nan 0.000 0.481 187 W N 0.016 121.202 121.300 -0.188 0.000 2.304 187 W HA 0.233 4.894 4.660 0.001 0.000 0.326 187 W C 1.875 178.338 176.519 -0.093 0.000 0.920 187 W CA -0.113 57.158 57.345 -0.124 0.000 1.518 187 W CB 0.052 29.461 29.460 -0.085 0.000 1.112 187 W HN 0.915 nan 8.180 nan 0.000 0.528 188 T N -2.552 112.042 114.554 0.065 0.000 3.081 188 T HA 0.240 4.591 4.350 0.001 0.000 0.250 188 T C 1.360 176.054 174.700 -0.010 0.000 1.100 188 T CA 0.333 62.454 62.100 0.036 0.000 1.038 188 T CB -0.274 68.610 68.868 0.028 0.000 0.962 188 T HN 0.033 nan 8.240 nan 0.000 0.516 189 G N 1.405 110.168 108.800 -0.063 0.000 2.187 189 G HA2 0.251 4.212 3.960 0.001 0.000 0.239 189 G HA3 0.251 4.212 3.960 0.001 0.000 0.239 189 G C -0.520 174.320 174.900 -0.100 0.000 1.200 189 G CA -0.227 44.812 45.100 -0.101 0.000 0.888 189 G HN 0.597 nan 8.290 nan 0.000 0.482 190 K N 2.034 122.354 120.400 -0.134 0.000 2.619 190 K HA 0.149 4.470 4.320 0.001 0.000 0.251 190 K C -0.120 176.360 176.600 -0.200 0.000 0.987 190 K CA -0.639 55.571 56.287 -0.128 0.000 0.844 190 K CB 1.386 33.848 32.500 -0.063 0.000 1.237 190 K HN 0.630 nan 8.250 nan 0.000 0.447 191 E N 2.860 122.945 120.200 -0.192 0.000 2.652 191 E HA -0.152 4.199 4.350 0.001 0.000 0.255 191 E C -0.566 175.941 176.600 -0.156 0.000 0.952 191 E CA 1.092 57.372 56.400 -0.201 0.000 0.947 191 E CB 0.280 29.899 29.700 -0.135 0.000 0.912 191 E HN 0.643 nan 8.360 nan 0.000 0.489 192 D N 2.377 122.667 120.400 -0.184 0.000 3.059 192 D HA -0.238 4.402 4.640 0.001 0.000 0.213 192 D C 0.407 176.756 176.300 0.082 0.000 1.144 192 D CA 1.283 55.298 54.000 0.026 0.000 0.975 192 D CB -0.469 40.377 40.800 0.076 0.000 1.125 192 D HN 0.400 nan 8.370 nan 0.000 0.412 193 I N -1.170 119.374 120.570 -0.044 0.000 3.669 193 I HA 0.116 4.287 4.170 0.001 0.000 0.255 193 I C 0.638 176.847 176.117 0.154 0.000 1.144 193 I CA 0.405 61.757 61.300 0.086 0.000 1.447 193 I CB 0.194 38.216 38.000 0.037 0.000 1.622 193 I HN -0.132 nan 8.210 nan 0.000 0.435 194 I N 1.752 122.329 120.570 0.012 0.000 2.389 194 I HA 0.274 4.445 4.170 0.001 0.000 0.288 194 I C -1.250 174.885 176.117 0.030 0.000 0.999 194 I CA -0.542 60.827 61.300 0.115 0.000 1.129 194 I CB 1.032 39.070 38.000 0.062 0.000 1.288 194 I HN 0.027 nan 8.210 nan 0.000 0.444 195 Y N 4.661 125.046 120.300 0.142 0.000 2.328 195 Y HA 0.416 4.967 4.550 0.001 0.000 0.337 195 Y C 0.396 176.350 175.900 0.091 0.000 0.966 195 Y CA -0.859 57.322 58.100 0.134 0.000 1.136 195 Y CB 1.147 39.757 38.460 0.250 0.000 1.170 195 Y HN 0.410 nan 8.280 nan 0.000 0.470 196 N N 1.885 120.646 118.700 0.102 0.000 2.417 196 N HA 0.356 5.097 4.740 0.001 0.000 0.274 196 N C 0.838 176.286 175.510 -0.103 0.000 0.987 196 N CA 0.415 53.456 53.050 -0.016 0.000 0.912 196 N CB 1.940 40.310 38.487 -0.194 0.000 1.177 196 N HN 0.961 nan 8.380 nan 0.000 0.490 197 G N 1.490 110.245 108.800 -0.076 0.000 2.212 197 G HA2 -0.266 3.695 3.960 0.001 0.000 0.266 197 G HA3 -0.266 3.695 3.960 0.001 0.000 0.266 197 G C 0.156 174.896 174.900 -0.266 0.000 0.978 197 G CA 0.910 45.884 45.100 -0.211 0.000 0.632 197 G HN 0.671 nan 8.290 nan 0.000 0.537 198 I N -1.778 118.711 120.570 -0.136 0.000 2.934 198 I HA 0.824 4.994 4.170 0.001 0.000 0.306 198 I C 0.281 176.422 176.117 0.040 0.000 1.110 198 I CA -0.617 60.519 61.300 -0.274 0.000 1.019 198 I CB 2.088 39.747 38.000 -0.568 0.000 1.227 198 I HN 0.183 nan 8.210 nan 0.000 0.434 199 T N -0.465 114.054 114.554 -0.059 0.000 2.918 199 T HA 0.412 4.763 4.350 0.001 0.000 0.283 199 T C -0.217 174.293 174.700 -0.316 0.000 1.001 199 T CA -0.650 61.263 62.100 -0.312 0.000 1.041 199 T CB 1.413 70.173 68.868 -0.180 0.000 1.028 199 T HN 0.770 nan 8.240 nan 0.000 0.511 200 D N 0.084 120.034 120.400 -0.751 0.000 2.478 200 D HA 0.052 4.693 4.640 0.001 0.000 0.269 200 D C 0.982 177.230 176.300 -0.087 0.000 1.232 200 D CA -1.118 52.476 54.000 -0.676 0.000 1.059 200 D CB 0.074 40.420 40.800 -0.756 0.000 1.104 200 D HN 0.717 nan 8.370 nan 0.000 0.566 201 W N 0.164 121.448 121.300 -0.026 0.000 2.317 201 W HA -0.238 4.423 4.660 0.001 0.000 0.318 201 W C 2.167 178.602 176.519 -0.140 0.000 1.227 201 W CA 2.397 59.716 57.345 -0.044 0.000 1.269 201 W CB -0.442 28.936 29.460 -0.138 0.000 1.155 201 W HN 0.186 nan 8.180 nan 0.000 0.484 202 V N -0.215 119.801 119.914 0.171 0.000 2.427 202 V HA -0.296 3.825 4.120 0.001 0.000 0.248 202 V C 1.893 177.834 176.094 -0.256 0.000 1.051 202 V CA 2.022 64.303 62.300 -0.032 0.000 1.048 202 V CB -0.757 31.046 31.823 -0.034 0.000 0.666 202 V HN 0.294 nan 8.190 nan 0.000 0.456 203 Y N 0.604 120.743 120.300 -0.269 0.000 2.293 203 Y HA -0.179 4.371 4.550 0.001 0.000 0.291 203 Y C 2.580 178.391 175.900 -0.148 0.000 1.137 203 Y CA 2.101 60.051 58.100 -0.250 0.000 1.202 203 Y CB -0.065 38.115 38.460 -0.467 0.000 0.990 203 Y HN 0.397 nan 8.280 nan 0.000 0.537 204 E N 0.237 120.402 120.200 -0.058 0.000 2.051 204 E HA -0.278 4.072 4.350 0.001 0.000 0.192 204 E C 1.998 178.550 176.600 -0.079 0.000 0.991 204 E CA 1.537 57.926 56.400 -0.018 0.000 0.799 204 E CB 0.017 29.694 29.700 -0.039 0.000 0.748 204 E HN 0.382 nan 8.360 nan 0.000 0.449 205 E N 0.396 120.367 120.200 -0.382 0.000 2.051 205 E HA -0.134 4.217 4.350 0.001 0.000 0.189 205 E C 1.630 178.108 176.600 -0.202 0.000 0.979 205 E CA 1.483 57.642 56.400 -0.402 0.000 0.803 205 E CB 0.136 29.244 29.700 -0.987 0.000 0.761 205 E HN 0.237 nan 8.360 nan 0.000 0.451 206 E N -0.636 119.422 120.200 -0.237 0.000 2.460 206 E HA 0.090 4.440 4.350 0.001 0.000 0.200 206 E C 1.593 178.044 176.600 -0.249 0.000 1.011 206 E CA 0.301 56.602 56.400 -0.165 0.000 0.912 206 E CB 1.076 30.682 29.700 -0.158 0.000 0.953 206 E HN 0.198 nan 8.360 nan 0.000 0.494 207 V N -0.602 119.115 119.914 -0.329 0.000 2.870 207 V HA 0.055 4.176 4.120 0.001 0.000 0.232 207 V C 1.375 177.208 176.094 -0.436 0.000 1.161 207 V CA 0.544 62.549 62.300 -0.492 0.000 1.204 207 V CB -0.289 31.061 31.823 -0.789 0.000 1.003 207 V HN 0.012 nan 8.190 nan 0.000 0.499 208 F N 0.831 120.796 119.950 0.025 0.000 2.754 208 F HA 0.277 4.805 4.527 0.001 0.000 0.297 208 F C 1.569 177.342 175.800 -0.044 0.000 1.122 208 F CA 0.266 58.296 58.000 0.051 0.000 1.400 208 F CB -0.392 38.685 39.000 0.129 0.000 1.117 208 F HN 0.073 nan 8.300 nan 0.000 0.587 209 S N 0.503 116.233 115.700 0.049 0.000 3.549 209 S HA -0.008 4.463 4.470 0.001 0.000 0.366 209 S C 0.092 174.328 174.600 -0.608 0.000 1.012 209 S CA 0.438 58.573 58.200 -0.109 0.000 1.141 209 S CB -1.719 61.454 63.200 -0.045 0.000 0.910 209 S HN 0.668 nan 8.310 nan 0.000 0.471 210 A N -0.563 122.098 122.820 -0.265 0.000 2.599 210 A HA 0.658 4.979 4.320 0.001 0.000 0.294 210 A C -0.288 177.261 177.584 -0.057 0.000 1.055 210 A CA -0.492 51.381 52.037 -0.273 0.000 0.683 210 A CB 0.276 19.139 19.000 -0.229 0.000 1.278 210 A HN 0.324 nan 8.150 nan 0.000 0.412 211 Y N 1.560 121.691 120.300 -0.283 0.000 2.420 211 Y HA 0.180 4.731 4.550 0.001 0.000 0.292 211 Y C 1.545 177.143 175.900 -0.502 0.000 1.119 211 Y CA 1.093 59.031 58.100 -0.270 0.000 1.229 211 Y CB -0.038 38.295 38.460 -0.213 0.000 1.026 211 Y HN 0.687 nan 8.280 nan 0.000 0.554 212 S N 0.509 115.706 115.700 -0.837 0.000 2.549 212 S HA 0.420 4.890 4.470 0.001 0.000 0.286 212 S C 0.342 174.421 174.600 -0.868 0.000 1.314 212 S CA 0.241 57.697 58.200 -1.240 0.000 1.062 212 S CB 0.364 62.568 63.200 -1.660 0.000 0.865 212 S HN 0.441 nan 8.310 nan 0.000 0.498 213 A N 4.305 126.593 122.820 -0.888 0.000 2.806 213 A HA 0.507 4.827 4.320 0.001 0.000 0.266 213 A C -0.895 175.905 177.584 -1.308 0.000 0.926 213 A CA -0.601 50.846 52.037 -0.983 0.000 1.068 213 A CB -0.298 18.541 19.000 -0.268 0.000 1.189 213 A HN 0.850 nan 8.150 nan 0.000 0.481 214 L N -4.585 115.730 121.223 -1.513 0.000 2.422 214 L HA 0.891 5.232 4.340 0.001 0.000 0.264 214 L C -1.318 174.982 176.870 -0.950 0.000 0.984 214 L CA -1.327 52.925 54.840 -0.980 0.000 0.819 214 L CB 0.986 42.756 42.059 -0.481 0.000 1.330 214 L HN 0.221 nan 8.230 nan 0.000 0.410 215 W N 1.777 123.108 121.300 0.051 0.000 2.687 215 W HA 0.325 4.986 4.660 0.001 0.000 0.328 215 W C -1.315 175.413 176.519 0.348 0.000 1.012 215 W CA -0.828 56.666 57.345 0.248 0.000 1.262 215 W CB 1.421 31.094 29.460 0.355 0.000 1.331 215 W HN 0.636 nan 8.180 nan 0.000 0.433 216 W N 2.667 124.159 121.300 0.321 0.000 2.181 216 W HA 0.169 4.830 4.660 0.001 0.000 0.335 216 W C 1.369 177.685 176.519 -0.339 0.000 1.310 216 W CA 0.372 57.760 57.345 0.071 0.000 1.226 216 W CB 0.836 30.322 29.460 0.044 0.000 1.155 216 W HN 0.197 nan 8.180 nan 0.000 0.565 217 S N 2.768 118.210 115.700 -0.430 0.000 2.600 217 S HA 0.175 4.646 4.470 0.001 0.000 0.265 217 S C -1.752 172.556 174.600 -0.487 0.000 1.325 217 S CA -1.042 56.308 58.200 -1.417 0.000 1.002 217 S CB 0.998 63.496 63.200 -1.170 0.000 0.921 217 S HN 0.296 nan 8.310 nan 0.000 0.554 218 P HA -0.182 nan 4.420 nan 0.000 0.217 218 P C 0.817 178.073 177.300 -0.075 0.000 1.158 218 P CA 1.822 64.874 63.100 -0.079 0.000 0.887 218 P CB -0.226 31.485 31.700 0.017 0.000 0.792 219 N N -2.428 116.212 118.700 -0.100 0.000 2.230 219 N HA 0.159 4.899 4.740 0.001 0.000 0.202 219 N C 1.065 176.472 175.510 -0.171 0.000 1.119 219 N CA 0.498 53.484 53.050 -0.106 0.000 0.851 219 N CB -0.596 37.847 38.487 -0.073 0.000 0.990 219 N HN 0.190 nan 8.380 nan 0.000 0.497 220 G N -1.126 107.566 108.800 -0.180 0.000 2.176 220 G HA2 -0.331 3.630 3.960 0.001 0.000 0.253 220 G HA3 -0.331 3.630 3.960 0.001 0.000 0.253 220 G C 0.951 175.817 174.900 -0.056 0.000 0.979 220 G CA 0.697 45.657 45.100 -0.234 0.000 0.641 220 G HN 0.366 nan 8.290 nan 0.000 0.530 221 T N 0.088 114.564 114.554 -0.130 0.000 2.701 221 T HA 0.225 4.576 4.350 0.001 0.000 0.263 221 T C 0.883 175.445 174.700 -0.231 0.000 1.040 221 T CA 1.263 63.200 62.100 -0.271 0.000 1.147 221 T CB -0.082 68.463 68.868 -0.538 0.000 0.865 221 T HN 0.275 nan 8.240 nan 0.000 0.426 222 F N 0.455 120.442 119.950 0.061 0.000 2.399 222 F HA 0.625 5.153 4.527 0.001 0.000 0.328 222 F C -0.176 175.716 175.800 0.152 0.000 1.084 222 F CA -1.683 56.392 58.000 0.125 0.000 1.053 222 F CB 1.041 40.169 39.000 0.212 0.000 1.209 222 F HN -0.092 nan 8.300 nan 0.000 0.502 223 L N 2.663 124.065 121.223 0.299 0.000 2.406 223 L HA 0.794 5.135 4.340 0.001 0.000 0.270 223 L C -0.747 176.212 176.870 0.149 0.000 0.982 223 L CA -0.511 54.310 54.840 -0.032 0.000 0.843 223 L CB 0.782 42.538 42.059 -0.505 0.000 1.225 223 L HN 0.652 nan 8.230 nan 0.000 0.412 224 A N 4.587 127.575 122.820 0.279 0.000 2.303 224 A HA 0.802 5.123 4.320 0.001 0.000 0.317 224 A C -1.383 176.285 177.584 0.139 0.000 1.149 224 A CA -0.212 51.877 52.037 0.085 0.000 0.822 224 A CB 0.608 19.716 19.000 0.180 0.000 1.131 224 A HN 0.956 nan 8.150 nan 0.000 0.493 225 Y N -1.771 118.362 120.300 -0.279 0.000 2.592 225 Y HA 0.735 5.285 4.550 0.001 0.000 0.334 225 Y C -0.379 175.435 175.900 -0.143 0.000 1.136 225 Y CA -0.864 57.146 58.100 -0.151 0.000 1.042 225 Y CB 0.804 39.126 38.460 -0.229 0.000 1.325 225 Y HN 0.931 nan 8.280 nan 0.000 0.457 226 A N 2.527 125.441 122.820 0.157 0.000 2.311 226 A HA 0.705 5.026 4.320 0.001 0.000 0.334 226 A C -1.157 176.347 177.584 -0.133 0.000 1.139 226 A CA -0.860 51.150 52.037 -0.045 0.000 0.830 226 A CB 1.754 20.688 19.000 -0.110 0.000 1.234 226 A HN 0.823 nan 8.150 nan 0.000 0.483 227 Q N 0.969 120.607 119.800 -0.270 0.000 2.310 227 Q HA 0.583 4.923 4.340 0.001 0.000 0.270 227 Q C -2.057 173.714 176.000 -0.381 0.000 1.025 227 Q CA -0.349 55.380 55.803 -0.124 0.000 0.772 227 Q CB 1.065 29.937 28.738 0.223 0.000 1.253 227 Q HN 0.598 nan 8.270 nan 0.000 0.450 228 F N 2.241 122.270 119.950 0.131 0.000 2.450 228 F HA 0.432 4.960 4.527 0.001 0.000 0.332 228 F C 0.492 176.421 175.800 0.214 0.000 1.093 228 F CA -0.854 57.195 58.000 0.082 0.000 1.003 228 F CB 1.337 40.279 39.000 -0.097 0.000 1.151 228 F HN 0.428 nan 8.300 nan 0.000 0.474 229 N N 1.765 120.667 118.700 0.337 0.000 2.483 229 N HA 0.226 4.967 4.740 0.001 0.000 0.267 229 N C -1.079 174.597 175.510 0.277 0.000 0.998 229 N CA -0.358 52.862 53.050 0.284 0.000 0.918 229 N CB 1.120 39.722 38.487 0.193 0.000 1.215 229 N HN 0.551 nan 8.380 nan 0.000 0.500 230 D N 1.460 122.047 120.400 0.312 0.000 2.463 230 D HA 0.146 4.787 4.640 0.001 0.000 0.224 230 D C 1.171 177.591 176.300 0.199 0.000 1.174 230 D CA 0.080 54.240 54.000 0.266 0.000 0.829 230 D CB 0.583 41.588 40.800 0.342 0.000 0.993 230 D HN 0.464 nan 8.370 nan 0.000 0.497 231 T N 0.317 114.971 114.554 0.166 0.000 2.649 231 T HA -0.228 4.122 4.350 0.001 0.000 0.268 231 T C 1.347 176.107 174.700 0.100 0.000 1.036 231 T CA 1.386 63.558 62.100 0.120 0.000 1.157 231 T CB -0.066 68.861 68.868 0.099 0.000 0.861 231 T HN 0.297 nan 8.240 nan 0.000 0.445 232 E N 0.286 120.545 120.200 0.098 0.000 2.465 232 E HA 0.181 4.532 4.350 0.001 0.000 0.195 232 E C -0.496 176.155 176.600 0.086 0.000 1.028 232 E CA -0.266 56.182 56.400 0.080 0.000 0.899 232 E CB 0.546 30.285 29.700 0.066 0.000 1.032 232 E HN 0.198 nan 8.360 nan 0.000 0.468 233 V N 3.517 123.496 119.914 0.109 0.000 2.470 233 V HA 0.104 4.224 4.120 0.001 0.000 0.276 233 V C -1.988 174.167 176.094 0.101 0.000 1.040 233 V CA -1.554 60.813 62.300 0.113 0.000 1.008 233 V CB 0.378 32.288 31.823 0.144 0.000 0.990 233 V HN 0.055 nan 8.190 nan 0.000 0.477 234 P HA 0.249 nan 4.420 nan 0.000 0.271 234 P C -0.744 176.601 177.300 0.074 0.000 1.233 234 P CA -0.253 62.889 63.100 0.069 0.000 0.789 234 P CB 0.519 32.255 31.700 0.061 0.000 0.951 235 L N 1.603 122.849 121.223 0.039 0.000 2.317 235 L HA 0.468 4.808 4.340 0.001 0.000 0.281 235 L C 0.258 177.096 176.870 -0.054 0.000 1.024 235 L CA -0.991 53.858 54.840 0.015 0.000 0.810 235 L CB 1.101 43.163 42.059 0.005 0.000 1.240 235 L HN 0.279 nan 8.230 nan 0.000 0.427 236 I N 2.250 122.744 120.570 -0.126 0.000 2.428 236 I HA 0.262 4.433 4.170 0.001 0.000 0.289 236 I C -0.357 175.633 176.117 -0.212 0.000 1.019 236 I CA 0.146 61.270 61.300 -0.293 0.000 1.351 236 I CB 0.870 38.434 38.000 -0.727 0.000 1.412 236 I HN 0.576 nan 8.210 nan 0.000 0.513 237 E N 7.336 127.429 120.200 -0.180 0.000 2.248 237 E HA 0.533 4.884 4.350 0.001 0.000 0.267 237 E C -1.772 174.785 176.600 -0.071 0.000 0.877 237 E CA -0.581 55.721 56.400 -0.163 0.000 0.759 237 E CB 2.085 31.708 29.700 -0.128 0.000 1.182 237 E HN 0.567 nan 8.360 nan 0.000 0.418 238 Y N -1.790 118.424 120.300 -0.143 0.000 2.638 238 Y HA 0.548 5.099 4.550 0.001 0.000 0.335 238 Y C -0.821 175.012 175.900 -0.111 0.000 1.155 238 Y CA -1.273 56.752 58.100 -0.125 0.000 1.046 238 Y CB 0.795 39.185 38.460 -0.116 0.000 1.303 238 Y HN 0.225 nan 8.280 nan 0.000 0.460 239 S N 1.798 117.483 115.700 -0.026 0.000 2.586 239 S HA 0.535 5.005 4.470 0.001 0.000 0.274 239 S C -1.426 173.013 174.600 -0.268 0.000 1.281 239 S CA -0.415 57.627 58.200 -0.263 0.000 1.035 239 S CB 0.671 63.578 63.200 -0.488 0.000 0.962 239 S HN 0.542 nan 8.310 nan 0.000 0.512 240 F N 1.849 121.511 119.950 -0.479 0.000 2.518 240 F HA 0.448 4.976 4.527 0.001 0.000 0.323 240 F C -0.311 175.220 175.800 -0.449 0.000 1.129 240 F CA -0.932 56.885 58.000 -0.305 0.000 0.920 240 F CB 0.911 39.855 39.000 -0.093 0.000 1.160 240 F HN 0.646 nan 8.300 nan 0.000 0.440 241 Y N 2.723 122.822 120.300 -0.335 0.000 2.448 241 Y HA 0.145 4.696 4.550 0.001 0.000 0.289 241 Y C 1.702 177.539 175.900 -0.106 0.000 1.114 241 Y CA 1.032 59.030 58.100 -0.170 0.000 1.235 241 Y CB -0.487 37.864 38.460 -0.182 0.000 1.045 241 Y HN 0.752 nan 8.280 nan 0.000 0.554 242 S N -0.296 115.319 115.700 -0.141 0.000 3.387 242 S HA -0.218 4.253 4.470 0.001 0.000 0.633 242 S C -0.611 174.038 174.600 0.082 0.000 2.641 242 S CA 0.353 58.623 58.200 0.117 0.000 2.931 242 S CB -1.234 62.130 63.200 0.273 0.000 0.327 242 S HN 0.445 nan 8.310 nan 0.000 1.716 243 D N 1.638 122.104 120.400 0.109 0.000 2.362 243 D HA 0.193 4.834 4.640 0.001 0.000 0.242 243 D C 1.368 177.703 176.300 0.059 0.000 1.132 243 D CA 0.371 54.415 54.000 0.074 0.000 0.907 243 D CB 0.409 41.252 40.800 0.073 0.000 1.195 243 D HN 0.638 nan 8.370 nan 0.000 0.429 244 E N 0.770 120.993 120.200 0.037 0.000 2.187 244 E HA -0.269 4.082 4.350 0.001 0.000 0.199 244 E C 1.487 178.103 176.600 0.026 0.000 1.004 244 E CA 1.616 58.030 56.400 0.022 0.000 0.813 244 E CB 0.128 29.834 29.700 0.011 0.000 0.736 244 E HN 0.444 nan 8.360 nan 0.000 0.468 245 S N 0.100 115.821 115.700 0.034 0.000 2.474 245 S HA -0.137 4.334 4.470 0.001 0.000 0.235 245 S C 0.914 175.541 174.600 0.045 0.000 0.997 245 S CA 0.086 58.306 58.200 0.034 0.000 0.949 245 S CB -0.198 63.024 63.200 0.037 0.000 0.766 245 S HN 0.252 nan 8.310 nan 0.000 0.517 246 L N 2.444 123.704 121.223 0.061 0.000 2.369 246 L HA 0.303 4.643 4.340 0.001 0.000 0.279 246 L C 1.395 178.304 176.870 0.065 0.000 1.108 246 L CA 0.067 54.955 54.840 0.080 0.000 0.852 246 L CB 0.678 42.800 42.059 0.105 0.000 1.169 246 L HN 0.263 nan 8.230 nan 0.000 0.452 247 Q N 3.920 123.760 119.800 0.066 0.000 2.079 247 Q HA -0.095 4.245 4.340 0.001 0.000 0.200 247 Q C -0.517 175.411 176.000 -0.120 0.000 0.974 247 Q CA 1.375 57.164 55.803 -0.023 0.000 0.840 247 Q CB 0.119 28.863 28.738 0.010 0.000 0.898 247 Q HN 0.680 nan 8.270 nan 0.000 0.430 248 Y N 0.660 120.976 120.300 0.026 0.000 2.335 248 Y HA 0.380 4.931 4.550 0.001 0.000 0.338 248 Y C -2.069 173.844 175.900 0.020 0.000 0.977 248 Y CA -2.936 55.176 58.100 0.021 0.000 1.114 248 Y CB 1.400 39.863 38.460 0.006 0.000 1.182 248 Y HN 0.146 nan 8.280 nan 0.000 0.463 249 P HA 0.020 nan 4.420 nan 0.000 0.266 249 P C -0.891 176.417 177.300 0.012 0.000 1.195 249 P CA -0.406 62.714 63.100 0.033 0.000 0.768 249 P CB 0.524 32.194 31.700 -0.049 0.000 0.838 250 K N 0.625 121.019 120.400 -0.010 0.000 2.087 250 K HA 0.528 4.849 4.320 0.001 0.000 0.255 250 K C -0.804 175.744 176.600 -0.088 0.000 0.988 250 K CA -0.587 55.689 56.287 -0.019 0.000 0.915 250 K CB 0.645 33.151 32.500 0.011 0.000 1.043 250 K HN 0.198 nan 8.250 nan 0.000 0.457 251 T N 2.049 116.537 114.554 -0.111 0.000 2.758 251 T HA 0.257 4.608 4.350 0.001 0.000 0.285 251 T C -0.573 173.988 174.700 -0.231 0.000 0.981 251 T CA -0.726 61.270 62.100 -0.173 0.000 0.965 251 T CB 1.173 69.960 68.868 -0.135 0.000 0.927 251 T HN 0.387 nan 8.240 nan 0.000 0.448 252 V N 5.838 125.505 119.914 -0.412 0.000 2.509 252 V HA 0.584 4.704 4.120 0.001 0.000 0.284 252 V C 0.261 176.094 176.094 -0.435 0.000 1.047 252 V CA -0.725 61.294 62.300 -0.469 0.000 0.952 252 V CB 0.938 32.291 31.823 -0.784 0.000 0.988 252 V HN 0.798 nan 8.190 nan 0.000 0.469 253 R N 3.962 124.338 120.500 -0.208 0.000 2.538 253 R HA 0.776 5.117 4.340 0.001 0.000 0.292 253 R C -1.783 174.519 176.300 0.004 0.000 1.008 253 R CA -0.608 55.417 56.100 -0.125 0.000 0.896 253 R CB 1.701 31.948 30.300 -0.089 0.000 1.187 253 R HN 0.499 nan 8.270 nan 0.000 0.440 254 V N 2.075 122.002 119.914 0.022 0.000 2.686 254 V HA 0.499 4.619 4.120 0.001 0.000 0.306 254 V C -2.741 173.427 176.094 0.124 0.000 1.065 254 V CA -2.378 60.006 62.300 0.140 0.000 0.894 254 V CB 2.547 34.494 31.823 0.207 0.000 1.004 254 V HN 0.615 nan 8.190 nan 0.000 0.424 255 P HA 0.149 nan 4.420 nan 0.000 0.258 255 P C -1.721 175.698 177.300 0.199 0.000 1.187 255 P CA 0.722 63.941 63.100 0.198 0.000 0.767 255 P CB -0.347 31.511 31.700 0.264 0.000 0.770 256 Y N 6.516 126.802 120.300 -0.024 0.000 2.301 256 Y HA 0.358 4.909 4.550 0.001 0.000 0.325 256 Y C -2.734 173.136 175.900 -0.050 0.000 1.103 256 Y CA -2.841 55.189 58.100 -0.117 0.000 1.182 256 Y CB 1.716 39.978 38.460 -0.330 0.000 1.139 256 Y HN 0.280 nan 8.280 nan 0.000 0.443 257 P HA 0.243 nan 4.420 nan 0.000 0.286 257 P C -0.921 176.411 177.300 0.054 0.000 1.321 257 P CA -0.166 62.967 63.100 0.054 0.000 0.790 257 P CB 1.357 33.078 31.700 0.036 0.000 0.897 258 K N 2.066 122.576 120.400 0.184 0.000 2.102 258 K HA 0.504 4.824 4.320 0.001 0.000 0.244 258 K C 0.569 177.256 176.600 0.146 0.000 1.021 258 K CA -0.744 55.669 56.287 0.210 0.000 0.913 258 K CB 0.586 33.232 32.500 0.243 0.000 1.062 258 K HN 0.446 nan 8.250 nan 0.000 0.485 259 A N 0.710 123.643 122.820 0.187 0.000 2.580 259 A HA 0.276 4.597 4.320 0.001 0.000 0.244 259 A C 1.210 178.827 177.584 0.055 0.000 1.045 259 A CA 1.072 53.209 52.037 0.167 0.000 0.761 259 A CB -1.190 17.994 19.000 0.307 0.000 0.962 259 A HN 0.903 nan 8.150 nan 0.000 0.512 260 G N 1.091 109.914 108.800 0.037 0.000 2.253 260 G HA2 0.095 4.056 3.960 0.001 0.000 0.251 260 G HA3 0.095 4.056 3.960 0.001 0.000 0.251 260 G C 0.768 175.680 174.900 0.019 0.000 0.998 260 G CA 0.722 45.819 45.100 -0.005 0.000 0.621 260 G HN 2.214 nan 8.290 nan 0.000 0.524 261 A N -0.085 122.763 122.820 0.046 0.000 2.310 261 A HA 0.672 4.993 4.320 0.001 0.000 0.260 261 A C 0.904 178.519 177.584 0.053 0.000 1.112 261 A CA 0.476 52.545 52.037 0.053 0.000 0.804 261 A CB 0.475 19.520 19.000 0.075 0.000 1.081 261 A HN 1.195 nan 8.150 nan 0.000 0.499 262 V N 2.488 122.435 119.914 0.055 0.000 2.521 262 V HA 0.049 4.170 4.120 0.001 0.000 0.286 262 V C 0.333 176.473 176.094 0.077 0.000 1.034 262 V CA -0.186 62.148 62.300 0.057 0.000 1.045 262 V CB -0.084 31.773 31.823 0.057 0.000 0.974 262 V HN 0.802 nan 8.190 nan 0.000 0.480 263 N N 6.216 124.962 118.700 0.076 0.000 2.476 263 N HA 0.491 5.232 4.740 0.001 0.000 0.275 263 N C -2.365 173.231 175.510 0.142 0.000 1.190 263 N CA -1.459 51.660 53.050 0.115 0.000 0.977 263 N CB 1.076 39.631 38.487 0.112 0.000 1.200 263 N HN 0.398 nan 8.380 nan 0.000 0.515 264 P HA 0.139 nan 4.420 nan 0.000 0.276 264 P C -0.545 176.906 177.300 0.252 0.000 1.244 264 P CA -0.179 63.074 63.100 0.254 0.000 0.801 264 P CB 0.512 32.407 31.700 0.325 0.000 1.006 265 T N -1.704 112.976 114.554 0.209 0.000 2.952 265 T HA 0.597 4.948 4.350 0.001 0.000 0.286 265 T C -0.237 174.565 174.700 0.170 0.000 1.024 265 T CA -0.838 61.343 62.100 0.135 0.000 1.029 265 T CB 1.491 70.409 68.868 0.085 0.000 1.094 265 T HN 0.344 nan 8.240 nan 0.000 0.515 266 V N 0.310 120.291 119.914 0.112 0.000 3.007 266 V HA 0.766 4.887 4.120 0.001 0.000 0.311 266 V C -1.594 174.555 176.094 0.091 0.000 1.120 266 V CA -0.872 61.445 62.300 0.028 0.000 0.980 266 V CB 2.140 33.996 31.823 0.054 0.000 1.033 266 V HN 1.045 nan 8.190 nan 0.000 0.429 267 K N 4.082 124.477 120.400 -0.008 0.000 2.477 267 K HA 0.561 4.882 4.320 0.001 0.000 0.255 267 K C -1.974 174.540 176.600 -0.143 0.000 0.952 267 K CA -0.498 55.764 56.287 -0.041 0.000 0.826 267 K CB 2.829 35.282 32.500 -0.079 0.000 1.331 267 K HN 0.532 nan 8.250 nan 0.000 0.437 268 F N 2.079 121.733 119.950 -0.492 0.000 2.520 268 F HA 0.585 5.112 4.527 0.001 0.000 0.322 268 F C -1.460 173.802 175.800 -0.896 0.000 1.103 268 F CA -0.734 56.958 58.000 -0.513 0.000 0.926 268 F CB 0.850 39.677 39.000 -0.289 0.000 1.154 268 F HN 0.384 nan 8.300 nan 0.000 0.453 269 F N 3.980 123.203 119.950 -1.211 0.000 2.588 269 F HA 0.752 5.279 4.527 0.001 0.000 0.314 269 F C -0.987 174.134 175.800 -1.132 0.000 1.069 269 F CA -1.172 56.186 58.000 -1.070 0.000 0.931 269 F CB 2.165 40.392 39.000 -1.288 0.000 1.260 269 F HN 0.121 nan 8.300 nan 0.000 0.465 270 V N 2.690 122.366 119.914 -0.396 0.000 2.638 270 V HA 0.627 4.748 4.120 0.001 0.000 0.306 270 V C -1.200 174.962 176.094 0.115 0.000 1.052 270 V CA -0.823 61.327 62.300 -0.249 0.000 0.885 270 V CB 2.040 33.522 31.823 -0.570 0.000 0.999 270 V HN 0.604 nan 8.190 nan 0.000 0.424 271 V N 4.292 124.350 119.914 0.241 0.000 2.680 271 V HA 0.601 4.722 4.120 0.001 0.000 0.309 271 V C -0.499 175.823 176.094 0.379 0.000 1.052 271 V CA -0.615 61.861 62.300 0.294 0.000 0.908 271 V CB 2.209 34.157 31.823 0.208 0.000 1.001 271 V HN 0.919 nan 8.190 nan 0.000 0.431 272 N N 3.363 122.261 118.700 0.330 0.000 2.406 272 N HA 0.147 4.888 4.740 0.001 0.000 0.251 272 N C 0.948 176.476 175.510 0.030 0.000 1.069 272 N CA 0.541 53.692 53.050 0.167 0.000 0.947 272 N CB 1.665 40.220 38.487 0.115 0.000 1.111 272 N HN 0.921 nan 8.380 nan 0.000 0.497 273 T N -0.432 114.130 114.554 0.013 0.000 3.148 273 T HA 0.068 4.418 4.350 0.001 0.000 0.253 273 T C 0.607 175.266 174.700 -0.068 0.000 1.134 273 T CA 0.417 62.519 62.100 0.004 0.000 1.051 273 T CB 0.173 69.150 68.868 0.181 0.000 0.959 273 T HN 0.241 nan 8.240 nan 0.000 0.525 274 D N 1.871 122.205 120.400 -0.109 0.000 2.333 274 D HA 0.066 4.706 4.640 0.001 0.000 0.208 274 D C 1.096 177.338 176.300 -0.097 0.000 0.984 274 D CA 0.601 54.534 54.000 -0.112 0.000 0.873 274 D CB 0.313 41.024 40.800 -0.148 0.000 0.935 274 D HN 0.627 nan 8.370 nan 0.000 0.521 275 S N 0.063 115.706 115.700 -0.094 0.000 2.499 275 S HA 0.346 4.817 4.470 0.001 0.000 0.238 275 S C 0.185 174.722 174.600 -0.105 0.000 1.205 275 S CA -0.612 57.547 58.200 -0.068 0.000 1.203 275 S CB -0.161 63.029 63.200 -0.016 0.000 0.954 275 S HN -0.033 nan 8.310 nan 0.000 0.484 276 L N 1.731 122.814 121.223 -0.234 0.000 2.334 276 L HA 0.624 4.964 4.340 0.001 0.000 0.277 276 L C 0.406 177.100 176.870 -0.294 0.000 1.075 276 L CA -0.323 54.280 54.840 -0.394 0.000 0.804 276 L CB 1.648 43.149 42.059 -0.931 0.000 1.174 276 L HN 0.379 nan 8.230 nan 0.000 0.438 277 S N -0.031 115.617 115.700 -0.087 0.000 2.513 277 S HA 0.321 4.792 4.470 0.001 0.000 0.299 277 S C 0.664 175.438 174.600 0.290 0.000 1.087 277 S CA -0.674 57.589 58.200 0.105 0.000 1.012 277 S CB 1.758 65.004 63.200 0.076 0.000 1.044 277 S HN 0.607 nan 8.310 nan 0.000 0.485 278 S N 2.687 118.579 115.700 0.320 0.000 2.522 278 S HA 0.011 4.482 4.470 0.001 0.000 0.227 278 S C 1.270 175.964 174.600 0.157 0.000 0.986 278 S CA 0.277 58.628 58.200 0.251 0.000 0.929 278 S CB 0.040 63.334 63.200 0.156 0.000 0.769 278 S HN 0.570 nan 8.310 nan 0.000 0.529 279 V N 0.695 120.687 119.914 0.130 0.000 3.431 279 V HA 0.164 4.284 4.120 0.001 0.000 0.253 279 V C 0.606 176.745 176.094 0.075 0.000 1.184 279 V CA 0.710 63.062 62.300 0.086 0.000 1.104 279 V CB 0.170 32.031 31.823 0.065 0.000 0.799 279 V HN 0.333 nan 8.190 nan 0.000 0.462 280 T N 0.601 115.208 114.554 0.089 0.000 2.893 280 T HA 0.391 4.742 4.350 0.001 0.000 0.291 280 T C -0.477 174.280 174.700 0.095 0.000 1.028 280 T CA -0.533 61.606 62.100 0.065 0.000 0.995 280 T CB 1.604 70.500 68.868 0.047 0.000 1.051 280 T HN 0.046 nan 8.240 nan 0.000 0.470 281 N N 1.975 120.715 118.700 0.066 0.000 2.497 281 N HA 0.383 5.124 4.740 0.001 0.000 0.268 281 N C 0.270 175.844 175.510 0.107 0.000 1.171 281 N CA -0.155 52.967 53.050 0.119 0.000 0.948 281 N CB 0.808 39.303 38.487 0.012 0.000 1.069 281 N HN 0.864 nan 8.380 nan 0.000 0.460 282 A N 2.285 125.185 122.820 0.133 0.000 2.586 282 A HA 0.111 4.432 4.320 0.001 0.000 0.231 282 A C 0.330 177.964 177.584 0.083 0.000 1.055 282 A CA 0.392 52.477 52.037 0.079 0.000 0.756 282 A CB -0.044 18.986 19.000 0.050 0.000 0.988 282 A HN 0.558 nan 8.150 nan 0.000 0.509 283 T N 2.385 116.991 114.554 0.086 0.000 2.771 283 T HA 0.492 4.842 4.350 0.001 0.000 0.281 283 T C -0.079 174.705 174.700 0.140 0.000 0.982 283 T CA -0.138 62.024 62.100 0.103 0.000 0.978 283 T CB 1.009 69.941 68.868 0.107 0.000 0.930 283 T HN 0.563 nan 8.240 nan 0.000 0.447 284 S N 3.418 119.201 115.700 0.139 0.000 2.437 284 S HA 0.499 4.969 4.470 0.001 0.000 0.305 284 S C -0.077 174.677 174.600 0.258 0.000 1.109 284 S CA -0.807 57.505 58.200 0.188 0.000 1.099 284 S CB 0.482 63.747 63.200 0.108 0.000 1.004 284 S HN 0.478 nan 8.310 nan 0.000 0.475 285 I N 3.257 123.992 120.570 0.274 0.000 2.342 285 I HA 0.281 4.452 4.170 0.001 0.000 0.291 285 I C 0.557 176.784 176.117 0.183 0.000 1.010 285 I CA -0.272 61.194 61.300 0.276 0.000 1.308 285 I CB 0.949 39.189 38.000 0.400 0.000 1.400 285 I HN 0.673 nan 8.210 nan 0.000 0.488 286 Q N 6.277 126.157 119.800 0.133 0.000 2.259 286 Q HA 0.522 4.862 4.340 0.001 0.000 0.249 286 Q C -1.167 174.777 176.000 -0.094 0.000 0.914 286 Q CA -0.439 55.257 55.803 -0.178 0.000 0.904 286 Q CB 1.457 30.039 28.738 -0.260 0.000 1.213 286 Q HN 0.565 nan 8.270 nan 0.000 0.428 287 I N 4.059 124.558 120.570 -0.119 0.000 2.411 287 I HA 0.213 4.383 4.170 0.001 0.000 0.284 287 I C 0.050 176.172 176.117 0.009 0.000 1.012 287 I CA -0.736 60.574 61.300 0.017 0.000 1.119 287 I CB 1.636 39.703 38.000 0.112 0.000 1.261 287 I HN 0.698 nan 8.210 nan 0.000 0.448 288 T N 2.782 117.298 114.554 -0.064 0.000 2.904 288 T HA 0.647 4.998 4.350 0.001 0.000 0.290 288 T C 0.358 174.871 174.700 -0.312 0.000 1.018 288 T CA -0.763 61.242 62.100 -0.159 0.000 1.075 288 T CB 1.737 70.507 68.868 -0.163 0.000 0.986 288 T HN 0.576 nan 8.240 nan 0.000 0.523 289 A N 3.187 125.564 122.820 -0.739 0.000 2.332 289 A HA 0.606 4.927 4.320 0.001 0.000 0.258 289 A C -1.870 175.213 177.584 -0.835 0.000 1.087 289 A CA -1.712 49.434 52.037 -1.485 0.000 0.802 289 A CB -0.595 16.867 19.000 -2.563 0.000 1.042 289 A HN 0.810 nan 8.150 nan 0.000 0.489 290 P HA 0.090 nan 4.420 nan 0.000 0.269 290 P C 0.668 177.749 177.300 -0.366 0.000 1.217 290 P CA 0.625 63.490 63.100 -0.391 0.000 0.783 290 P CB 0.745 32.289 31.700 -0.261 0.000 0.898 291 A N 2.507 125.183 122.820 -0.240 0.000 1.972 291 A HA -0.172 4.148 4.320 0.001 0.000 0.219 291 A C 2.203 179.667 177.584 -0.200 0.000 1.169 291 A CA 2.114 54.028 52.037 -0.206 0.000 0.635 291 A CB -1.644 17.271 19.000 -0.141 0.000 0.810 291 A HN 0.674 nan 8.150 nan 0.000 0.446 292 S N -2.050 113.549 115.700 -0.168 0.000 2.507 292 S HA -0.063 4.408 4.470 0.001 0.000 0.235 292 S C 1.579 176.061 174.600 -0.198 0.000 0.988 292 S CA 1.640 59.749 58.200 -0.152 0.000 0.944 292 S CB -0.198 62.972 63.200 -0.050 0.000 0.762 292 S HN 0.359 nan 8.310 nan 0.000 0.526 293 M N 0.875 120.304 119.600 -0.284 0.000 2.691 293 M HA 0.492 4.972 4.480 0.001 0.000 0.261 293 M C 1.607 177.576 176.300 -0.551 0.000 1.227 293 M CA 0.820 55.875 55.300 -0.409 0.000 1.197 293 M CB -0.455 31.795 32.600 -0.583 0.000 1.294 293 M HN 0.236 nan 8.290 nan 0.000 0.508 294 L N 0.648 121.563 121.223 -0.513 0.000 2.353 294 L HA -0.148 4.193 4.340 0.001 0.000 0.220 294 L C 2.092 178.862 176.870 -0.167 0.000 1.133 294 L CA 0.752 55.382 54.840 -0.350 0.000 0.798 294 L CB -1.048 40.844 42.059 -0.277 0.000 0.922 294 L HN 0.405 nan 8.230 nan 0.000 0.445 295 I N -2.356 118.117 120.570 -0.162 0.000 2.335 295 I HA -0.024 4.147 4.170 0.001 0.000 0.251 295 I C 1.249 177.331 176.117 -0.060 0.000 1.129 295 I CA 1.224 62.462 61.300 -0.103 0.000 1.402 295 I CB -0.602 37.329 38.000 -0.115 0.000 1.069 295 I HN 0.110 nan 8.210 nan 0.000 0.424 296 G N -0.054 108.724 108.800 -0.037 0.000 2.911 296 G HA2 0.320 4.281 3.960 0.001 0.000 0.299 296 G HA3 0.320 4.281 3.960 0.001 0.000 0.299 296 G C -1.675 173.284 174.900 0.099 0.000 1.283 296 G CA -0.503 44.602 45.100 0.008 0.000 0.805 296 G HN 0.050 nan 8.290 nan 0.000 0.548 297 D N 1.092 121.509 120.400 0.028 0.000 2.399 297 D HA 0.423 5.064 4.640 0.001 0.000 0.241 297 D C 0.292 176.572 176.300 -0.033 0.000 1.133 297 D CA 0.643 54.617 54.000 -0.044 0.000 0.890 297 D CB 0.635 41.361 40.800 -0.124 0.000 1.201 297 D HN 0.554 nan 8.370 nan 0.000 0.432 298 H N -1.154 117.768 119.070 -0.246 0.000 2.905 298 H HA 0.430 4.986 4.556 0.001 0.000 0.280 298 H C -1.420 173.734 175.328 -0.290 0.000 1.445 298 H CA -0.770 55.136 56.048 -0.238 0.000 1.165 298 H CB 0.342 30.113 29.762 0.014 0.000 1.857 298 H HN 0.321 nan 8.280 nan 0.000 0.567 299 Y N -0.186 120.338 120.300 0.374 0.000 2.581 299 Y HA 0.434 4.985 4.550 0.001 0.000 0.345 299 Y C -0.551 175.607 175.900 0.429 0.000 1.036 299 Y CA -1.128 57.187 58.100 0.357 0.000 1.042 299 Y CB 1.997 40.526 38.460 0.115 0.000 1.289 299 Y HN 0.504 nan 8.280 nan 0.000 0.471 300 L N 2.715 124.254 121.223 0.528 0.000 2.264 300 L HA 0.479 4.820 4.340 0.001 0.000 0.289 300 L C 0.316 177.236 176.870 0.084 0.000 1.044 300 L CA -0.324 54.484 54.840 -0.053 0.000 0.807 300 L CB 0.612 42.589 42.059 -0.138 0.000 1.192 300 L HN 0.974 nan 8.230 nan 0.000 0.425 301 C N 1.216 120.421 119.300 -0.159 0.000 3.403 301 C HA 0.523 4.984 4.460 0.001 0.000 0.317 301 C C 0.143 174.974 174.990 -0.264 0.000 1.346 301 C CA -0.343 58.515 59.018 -0.267 0.000 1.743 301 C CB -0.567 27.073 27.740 -0.168 0.000 2.308 301 C HN 0.849 nan 8.230 nan 0.000 0.675 302 D N 0.247 120.519 120.400 -0.215 0.000 2.886 302 D HA 0.438 5.079 4.640 0.001 0.000 0.216 302 D C -1.867 174.175 176.300 -0.430 0.000 1.256 302 D CA 0.118 54.011 54.000 -0.179 0.000 0.844 302 D CB 2.793 43.483 40.800 -0.182 0.000 1.669 302 D HN 0.049 nan 8.370 nan 0.000 0.513 303 V N 2.613 122.206 119.914 -0.536 0.000 2.482 303 V HA 0.531 4.652 4.120 0.001 0.000 0.295 303 V C -0.442 175.282 176.094 -0.616 0.000 1.026 303 V CA -0.342 61.416 62.300 -0.903 0.000 0.856 303 V CB 1.932 32.692 31.823 -1.772 0.000 1.001 303 V HN 0.635 nan 8.190 nan 0.000 0.424 304 T N 3.744 118.017 114.554 -0.470 0.000 3.011 304 T HA 0.364 4.715 4.350 0.001 0.000 0.303 304 T C -0.945 173.618 174.700 -0.229 0.000 0.997 304 T CA -0.449 61.528 62.100 -0.204 0.000 1.007 304 T CB 0.900 69.728 68.868 -0.066 0.000 1.017 304 T HN 0.516 nan 8.240 nan 0.000 0.443 305 W N 2.222 123.478 121.300 -0.073 0.000 2.266 305 W HA 0.491 5.151 4.660 0.001 0.000 0.317 305 W C 1.116 177.529 176.519 -0.177 0.000 1.310 305 W CA -0.381 56.909 57.345 -0.090 0.000 1.207 305 W CB 0.611 30.099 29.460 0.046 0.000 1.199 305 W HN 0.858 nan 8.180 nan 0.000 0.544 306 A N 2.175 124.873 122.820 -0.204 0.000 1.942 306 A HA 0.203 4.523 4.320 0.001 0.000 0.209 306 A C 0.898 178.453 177.584 -0.049 0.000 1.214 306 A CA 1.553 53.254 52.037 -0.560 0.000 0.686 306 A CB -0.319 17.831 19.000 -1.417 0.000 0.871 306 A HN 0.531 nan 8.150 nan 0.000 0.460 307 T N -5.726 108.896 114.554 0.114 0.000 2.647 307 T HA 0.337 4.688 4.350 0.001 0.000 0.295 307 T C 0.133 175.020 174.700 0.312 0.000 1.126 307 T CA -0.372 61.843 62.100 0.193 0.000 1.040 307 T CB 0.664 69.627 68.868 0.159 0.000 1.472 307 T HN -0.037 nan 8.240 nan 0.000 0.500 308 Q N 0.375 120.320 119.800 0.243 0.000 2.226 308 Q HA -0.012 4.329 4.340 0.001 0.000 0.204 308 Q C 0.948 177.232 176.000 0.472 0.000 0.975 308 Q CA 1.599 57.554 55.803 0.253 0.000 0.866 308 Q CB -0.148 28.692 28.738 0.169 0.000 0.915 308 Q HN 0.830 nan 8.270 nan 0.000 0.440 309 E N -0.196 120.275 120.200 0.452 0.000 2.758 309 E HA 0.188 4.538 4.350 0.001 0.000 0.215 309 E C -0.140 176.765 176.600 0.508 0.000 0.985 309 E CA -0.188 56.515 56.400 0.505 0.000 1.102 309 E CB 0.974 30.873 29.700 0.332 0.000 1.042 309 E HN -0.020 nan 8.360 nan 0.000 0.480 310 R N 1.601 122.388 120.500 0.478 0.000 2.532 310 R HA 0.535 4.876 4.340 0.001 0.000 0.297 310 R C -1.679 174.629 176.300 0.014 0.000 0.984 310 R CA -0.462 55.786 56.100 0.247 0.000 0.884 310 R CB 1.305 31.642 30.300 0.062 0.000 1.182 310 R HN 0.060 nan 8.270 nan 0.000 0.442 311 I N 3.064 123.485 120.570 -0.249 0.000 2.608 311 I HA 0.413 4.583 4.170 0.001 0.000 0.295 311 I C -0.910 174.891 176.117 -0.526 0.000 1.049 311 I CA -0.489 60.393 61.300 -0.697 0.000 1.063 311 I CB 2.241 39.434 38.000 -1.345 0.000 1.248 311 I HN 0.849 nan 8.210 nan 0.000 0.424 312 S N 7.334 122.711 115.700 -0.538 0.000 2.537 312 S HA 0.829 5.299 4.470 0.001 0.000 0.301 312 S C -1.186 173.115 174.600 -0.499 0.000 1.092 312 S CA -0.611 57.359 58.200 -0.383 0.000 1.048 312 S CB 1.831 64.922 63.200 -0.181 0.000 1.053 312 S HN 0.417 nan 8.310 nan 0.000 0.501 313 L N 1.875 122.827 121.223 -0.452 0.000 2.422 313 L HA 0.566 4.907 4.340 0.001 0.000 0.264 313 L C -0.413 176.200 176.870 -0.429 0.000 0.984 313 L CA -0.255 54.218 54.840 -0.611 0.000 0.819 313 L CB 2.091 43.696 42.059 -0.756 0.000 1.330 313 L HN 0.838 nan 8.230 nan 0.000 0.410 314 Q N 1.266 120.765 119.800 -0.502 0.000 2.353 314 Q HA 0.568 4.908 4.340 0.001 0.000 0.268 314 Q C -1.732 174.052 176.000 -0.360 0.000 1.045 314 Q CA -0.541 55.095 55.803 -0.278 0.000 0.811 314 Q CB 2.489 31.107 28.738 -0.200 0.000 1.305 314 Q HN 0.493 nan 8.270 nan 0.000 0.447 315 W N 2.227 123.498 121.300 -0.048 0.000 2.736 315 W HA 0.611 5.272 4.660 0.001 0.000 0.335 315 W C -1.016 175.555 176.519 0.086 0.000 1.059 315 W CA -0.626 56.742 57.345 0.037 0.000 1.226 315 W CB 1.193 30.659 29.460 0.010 0.000 1.416 315 W HN 0.386 nan 8.180 nan 0.000 0.505 316 L N 3.150 124.613 121.223 0.399 0.000 2.385 316 L HA 0.580 4.920 4.340 0.001 0.000 0.273 316 L C 0.015 177.097 176.870 0.352 0.000 0.990 316 L CA -1.007 54.031 54.840 0.330 0.000 0.821 316 L CB 1.147 43.375 42.059 0.281 0.000 1.279 316 L HN 0.400 nan 8.230 nan 0.000 0.412 317 R N 2.480 123.145 120.500 0.274 0.000 2.738 317 R HA 0.191 4.532 4.340 0.001 0.000 0.268 317 R C 1.028 177.403 176.300 0.123 0.000 1.062 317 R CA -0.124 56.077 56.100 0.168 0.000 1.158 317 R CB 0.516 30.880 30.300 0.107 0.000 1.046 317 R HN 0.641 nan 8.270 nan 0.000 0.493 318 R N 1.325 121.811 120.500 -0.023 0.000 2.139 318 R HA -0.091 4.249 4.340 0.001 0.000 0.243 318 R C 0.406 176.768 176.300 0.103 0.000 1.145 318 R CA 1.203 57.280 56.100 -0.038 0.000 0.976 318 R CB 0.141 30.372 30.300 -0.115 0.000 0.866 318 R HN 0.395 nan 8.270 nan 0.000 0.449 319 I N 2.971 123.584 120.570 0.071 0.000 2.278 319 I HA -0.002 4.169 4.170 0.001 0.000 0.296 319 I C 0.195 176.377 176.117 0.108 0.000 1.121 319 I CA 0.392 61.735 61.300 0.071 0.000 1.267 319 I CB 0.807 38.834 38.000 0.044 0.000 1.447 319 I HN 0.312 nan 8.210 nan 0.000 0.509 320 Q N 4.457 124.321 119.800 0.107 0.000 2.285 320 Q HA -0.094 4.246 4.340 0.001 0.000 0.191 320 Q C 0.557 176.640 176.000 0.138 0.000 0.860 320 Q CA 0.185 56.062 55.803 0.123 0.000 1.015 320 Q CB -0.425 28.341 28.738 0.046 0.000 1.118 320 Q HN 0.629 nan 8.270 nan 0.000 0.455 321 N N -0.885 117.901 118.700 0.142 0.000 2.238 321 N HA -0.027 4.714 4.740 0.001 0.000 0.235 321 N C -1.176 174.441 175.510 0.179 0.000 1.209 321 N CA -0.295 52.829 53.050 0.124 0.000 0.879 321 N CB 0.339 38.873 38.487 0.079 0.000 1.136 321 N HN 0.181 nan 8.380 nan 0.000 0.517 322 Y N 1.286 121.616 120.300 0.051 0.000 2.307 322 Y HA 0.528 5.079 4.550 0.001 0.000 0.323 322 Y C -1.239 174.701 175.900 0.066 0.000 1.100 322 Y CA -1.032 57.096 58.100 0.046 0.000 1.140 322 Y CB 1.220 39.698 38.460 0.031 0.000 1.159 322 Y HN 0.170 nan 8.280 nan 0.000 0.436 323 S N 4.135 119.787 115.700 -0.080 0.000 2.568 323 S HA 0.938 5.409 4.470 0.001 0.000 0.293 323 S C -1.768 172.786 174.600 -0.078 0.000 1.089 323 S CA -0.778 57.441 58.200 0.032 0.000 0.945 323 S CB 2.083 65.306 63.200 0.040 0.000 1.077 323 S HN 0.432 nan 8.310 nan 0.000 0.485 324 V N 2.724 122.681 119.914 0.071 0.000 2.638 324 V HA 0.522 4.643 4.120 0.001 0.000 0.306 324 V C -0.502 175.654 176.094 0.103 0.000 1.052 324 V CA -0.642 61.697 62.300 0.064 0.000 0.885 324 V CB 1.794 33.687 31.823 0.117 0.000 0.999 324 V HN 1.034 nan 8.190 nan 0.000 0.424 325 M N 3.644 123.270 119.600 0.044 0.000 2.238 325 M HA 0.557 5.038 4.480 0.001 0.000 0.350 325 M C -1.412 174.917 176.300 0.049 0.000 1.138 325 M CA -0.248 55.054 55.300 0.003 0.000 1.040 325 M CB 1.295 33.840 32.600 -0.092 0.000 1.639 325 M HN 0.621 nan 8.290 nan 0.000 0.451 326 D N 4.770 125.187 120.400 0.028 0.000 2.248 326 D HA 0.544 5.185 4.640 0.001 0.000 0.246 326 D C -1.138 175.143 176.300 -0.031 0.000 1.027 326 D CA -0.089 53.927 54.000 0.026 0.000 0.853 326 D CB 1.888 42.724 40.800 0.060 0.000 1.243 326 D HN 0.593 nan 8.370 nan 0.000 0.462 327 I N 2.493 123.068 120.570 0.008 0.000 2.382 327 I HA 0.293 4.464 4.170 0.001 0.000 0.285 327 I C -0.623 175.497 176.117 0.006 0.000 1.007 327 I CA -0.565 60.730 61.300 -0.008 0.000 1.142 327 I CB 1.184 39.234 38.000 0.083 0.000 1.289 327 I HN 0.197 nan 8.210 nan 0.000 0.453 328 c N 3.918 122.508 118.600 -0.017 0.000 2.351 328 c HA 0.536 5.106 4.570 0.001 0.000 0.326 328 c C -0.285 173.944 174.090 0.231 0.000 1.272 328 c CA -0.754 55.633 56.329 0.097 0.000 1.650 328 c CB 0.904 43.474 42.510 0.100 0.000 2.257 328 c HN 0.575 nan 8.230 nan 0.000 0.505 329 D N 0.412 120.940 120.400 0.213 0.000 2.256 329 D HA 0.315 4.956 4.640 0.001 0.000 0.246 329 D C -0.642 175.630 176.300 -0.047 0.000 1.042 329 D CA -0.205 53.886 54.000 0.152 0.000 0.841 329 D CB 0.827 41.659 40.800 0.054 0.000 1.223 329 D HN 0.575 nan 8.370 nan 0.000 0.470 330 Y N 1.910 121.870 120.300 -0.567 0.000 2.465 330 Y HA 0.144 4.695 4.550 0.001 0.000 0.331 330 Y C -0.013 175.578 175.900 -0.514 0.000 1.102 330 Y CA -0.129 57.248 58.100 -1.205 0.000 1.358 330 Y CB 0.622 38.177 38.460 -1.508 0.000 1.213 330 Y HN 0.193 nan 8.280 nan 0.000 0.525 331 D N 5.799 125.587 120.400 -1.021 0.000 2.411 331 D HA 0.046 4.686 4.640 0.001 0.000 0.225 331 D C 0.784 176.507 176.300 -0.961 0.000 1.156 331 D CA 0.051 53.639 54.000 -0.687 0.000 0.874 331 D CB 0.847 41.391 40.800 -0.426 0.000 1.034 331 D HN 0.925 nan 8.370 nan 0.000 0.502 332 E N 1.968 121.784 120.200 -0.641 0.000 2.049 332 E HA -0.251 4.100 4.350 0.001 0.000 0.198 332 E C 1.758 178.217 176.600 -0.235 0.000 1.007 332 E CA 1.838 58.018 56.400 -0.366 0.000 0.809 332 E CB 0.192 29.861 29.700 -0.050 0.000 0.749 332 E HN 0.486 nan 8.360 nan 0.000 0.450 333 S N -0.551 115.040 115.700 -0.182 0.000 2.356 333 S HA -0.186 4.284 4.470 0.001 0.000 0.223 333 S C 2.187 176.717 174.600 -0.118 0.000 1.032 333 S CA 1.830 59.964 58.200 -0.109 0.000 1.005 333 S CB -0.430 62.720 63.200 -0.084 0.000 0.867 333 S HN 0.246 nan 8.310 nan 0.000 0.449 334 S N 0.099 115.693 115.700 -0.176 0.000 2.414 334 S HA 0.233 4.703 4.470 0.001 0.000 0.227 334 S C 1.651 176.168 174.600 -0.137 0.000 1.022 334 S CA 1.497 59.612 58.200 -0.142 0.000 0.958 334 S CB -1.067 62.042 63.200 -0.152 0.000 0.797 334 S HN 1.665 nan 8.310 nan 0.000 0.493 335 G N 0.948 109.583 108.800 -0.276 0.000 2.179 335 G HA2 -0.201 3.760 3.960 0.001 0.000 0.260 335 G HA3 -0.201 3.760 3.960 0.001 0.000 0.260 335 G C 0.176 175.035 174.900 -0.068 0.000 0.977 335 G CA 0.325 45.350 45.100 -0.125 0.000 0.641 335 G HN 0.505 nan 8.290 nan 0.000 0.533 336 R N -1.219 119.155 120.500 -0.210 0.000 2.691 336 R HA 0.629 4.970 4.340 0.001 0.000 0.259 336 R C -0.716 175.451 176.300 -0.221 0.000 1.048 336 R CA -0.822 55.240 56.100 -0.063 0.000 1.086 336 R CB 0.543 30.832 30.300 -0.018 0.000 1.166 336 R HN 0.184 nan 8.270 nan 0.000 0.526 337 W N 0.607 121.915 121.300 0.013 0.000 2.417 337 W HA 0.379 5.040 4.660 0.001 0.000 0.315 337 W C -0.249 176.254 176.519 -0.026 0.000 1.045 337 W CA -0.383 56.964 57.345 0.005 0.000 1.221 337 W CB 0.913 30.381 29.460 0.014 0.000 1.309 337 W HN 0.402 nan 8.180 nan 0.000 0.453 338 N N 2.133 120.906 118.700 0.122 0.000 2.362 338 N HA 0.555 5.296 4.740 0.001 0.000 0.298 338 N C -1.433 174.122 175.510 0.075 0.000 1.048 338 N CA -0.631 52.458 53.050 0.065 0.000 0.858 338 N CB 1.203 39.688 38.487 -0.003 0.000 1.218 338 N HN 0.194 nan 8.380 nan 0.000 0.488 339 c N 2.786 121.414 118.600 0.046 0.000 2.317 339 c HA 0.355 4.926 4.570 0.001 0.000 0.306 339 c C 0.311 174.408 174.090 0.011 0.000 1.087 339 c CA -1.099 55.249 56.329 0.032 0.000 1.529 339 c CB -1.343 41.178 42.510 0.019 0.000 1.880 339 c HN 0.640 nan 8.230 nan 0.000 0.417 340 L N 2.196 123.427 121.223 0.014 0.000 2.559 340 L HA -0.012 4.329 4.340 0.001 0.000 0.274 340 L C 1.709 178.574 176.870 -0.009 0.000 1.205 340 L CA 0.359 55.200 54.840 0.002 0.000 0.907 340 L CB 0.520 42.584 42.059 0.008 0.000 1.153 340 L HN 0.634 nan 8.230 nan 0.000 0.490 341 V N 4.546 124.446 119.914 -0.023 0.000 2.469 341 V HA -0.305 3.816 4.120 0.001 0.000 0.251 341 V C 2.271 178.336 176.094 -0.048 0.000 1.064 341 V CA 2.244 64.522 62.300 -0.036 0.000 1.066 341 V CB -0.090 31.710 31.823 -0.038 0.000 0.667 341 V HN 1.013 nan 8.190 nan 0.000 0.461 342 A N -0.239 122.558 122.820 -0.038 0.000 2.121 342 A HA -0.110 4.211 4.320 0.001 0.000 0.218 342 A C 2.094 179.639 177.584 -0.066 0.000 1.154 342 A CA 1.322 53.329 52.037 -0.049 0.000 0.679 342 A CB -0.411 18.573 19.000 -0.027 0.000 0.795 342 A HN 0.634 nan 8.150 nan 0.000 0.458 343 R N -0.586 119.895 120.500 -0.032 0.000 2.515 343 R HA 0.178 4.519 4.340 0.001 0.000 0.294 343 R C 0.094 176.385 176.300 -0.016 0.000 1.021 343 R CA -0.146 55.965 56.100 0.018 0.000 1.081 343 R CB 0.174 30.532 30.300 0.098 0.000 1.263 343 R HN 0.542 nan 8.270 nan 0.000 0.557 344 Q N 0.534 120.253 119.800 -0.134 0.000 2.243 344 Q HA 0.161 4.502 4.340 0.001 0.000 0.252 344 Q C -1.083 174.739 176.000 -0.296 0.000 0.909 344 Q CA -0.298 55.443 55.803 -0.104 0.000 0.922 344 Q CB 0.943 29.640 28.738 -0.069 0.000 1.215 344 Q HN 0.247 nan 8.270 nan 0.000 0.427 345 H N 2.265 121.334 119.070 -0.001 0.000 2.547 345 H HA 0.414 4.970 4.556 0.001 0.000 0.342 345 H C -0.779 174.519 175.328 -0.050 0.000 1.048 345 H CA -0.417 55.629 56.048 -0.004 0.000 1.204 345 H CB 1.075 30.823 29.762 -0.024 0.000 1.493 345 H HN 0.486 nan 8.280 nan 0.000 0.511 346 I N 2.029 122.607 120.570 0.014 0.000 2.428 346 I HA 0.250 4.421 4.170 0.001 0.000 0.296 346 I C 0.009 176.066 176.117 -0.100 0.000 0.985 346 I CA -0.264 60.961 61.300 -0.125 0.000 1.260 346 I CB 1.436 39.320 38.000 -0.193 0.000 1.389 346 I HN 0.592 nan 8.210 nan 0.000 0.484 347 E N 7.741 127.823 120.200 -0.197 0.000 2.283 347 E HA 0.498 4.849 4.350 0.001 0.000 0.258 347 E C -1.243 175.247 176.600 -0.183 0.000 0.893 347 E CA -0.657 55.678 56.400 -0.108 0.000 0.798 347 E CB 1.277 30.952 29.700 -0.041 0.000 1.242 347 E HN 0.608 nan 8.360 nan 0.000 0.414 348 M N 1.304 120.827 119.600 -0.129 0.000 2.727 348 M HA 0.695 5.176 4.480 0.001 0.000 0.300 348 M C -0.994 175.295 176.300 -0.018 0.000 1.246 348 M CA -0.943 54.307 55.300 -0.082 0.000 0.835 348 M CB 2.290 34.853 32.600 -0.061 0.000 1.755 348 M HN 0.247 nan 8.290 nan 0.000 0.473 349 S N -0.694 115.007 115.700 0.002 0.000 2.547 349 S HA 0.569 5.040 4.470 0.001 0.000 0.281 349 S C 0.158 174.747 174.600 -0.018 0.000 1.118 349 S CA -0.043 58.145 58.200 -0.020 0.000 0.947 349 S CB 1.831 64.991 63.200 -0.067 0.000 1.053 349 S HN 0.905 nan 8.310 nan 0.000 0.482 350 T N -0.129 114.413 114.554 -0.021 0.000 3.015 350 T HA 0.061 4.412 4.350 0.001 0.000 0.250 350 T C 1.591 176.267 174.700 -0.041 0.000 1.057 350 T CA 0.925 63.015 62.100 -0.017 0.000 1.066 350 T CB -0.453 68.413 68.868 -0.003 0.000 0.959 350 T HN 0.680 nan 8.240 nan 0.000 0.488 351 T N -1.531 112.987 114.554 -0.060 0.000 3.037 351 T HA 0.578 4.928 4.350 0.001 0.000 0.252 351 T C 1.168 175.675 174.700 -0.322 0.000 1.073 351 T CA 0.415 62.471 62.100 -0.073 0.000 1.091 351 T CB 0.261 69.168 68.868 0.065 0.000 0.935 351 T HN 0.609 nan 8.240 nan 0.000 0.488 352 G N 0.279 108.725 108.800 -0.590 0.000 2.726 352 G HA2 0.494 4.455 3.960 0.001 0.000 0.198 352 G HA3 0.494 4.455 3.960 0.001 0.000 0.198 352 G C -1.593 173.031 174.900 -0.460 0.000 1.195 352 G CA -0.628 43.896 45.100 -0.961 0.000 0.951 352 G HN 0.486 nan 8.290 nan 0.000 0.532 353 W N -0.226 120.829 121.300 -0.409 0.000 2.353 353 W HA 0.747 5.408 4.660 0.001 0.000 0.377 353 W C -0.384 176.092 176.519 -0.072 0.000 1.375 353 W CA -1.279 55.951 57.345 -0.192 0.000 1.503 353 W CB 0.579 29.895 29.460 -0.240 0.000 1.345 353 W HN 0.256 nan 8.180 nan 0.000 0.683 354 V N 2.961 122.958 119.914 0.138 0.000 2.407 354 V HA 0.663 4.784 4.120 0.001 0.000 0.278 354 V C 0.780 176.948 176.094 0.124 0.000 1.037 354 V CA 0.324 62.661 62.300 0.062 0.000 0.900 354 V CB -0.049 31.810 31.823 0.060 0.000 0.983 354 V HN 1.257 nan 8.190 nan 0.000 0.459 355 G N 5.144 113.971 108.800 0.045 0.000 2.814 355 G HA2 -0.204 3.756 3.960 0.001 0.000 0.677 355 G HA3 -0.204 3.756 3.960 0.001 0.000 0.677 355 G C 0.377 175.362 174.900 0.140 0.000 1.429 355 G CA 0.217 45.366 45.100 0.082 0.000 0.868 355 G HN 0.678 nan 8.290 nan 0.000 0.553 356 R N -0.605 119.962 120.500 0.113 0.000 2.070 356 R HA 0.030 4.370 4.340 0.001 0.000 0.233 356 R C 1.853 178.096 176.300 -0.093 0.000 1.137 356 R CA 2.310 58.431 56.100 0.036 0.000 0.945 356 R CB -0.121 30.211 30.300 0.054 0.000 0.845 356 R HN 0.485 nan 8.270 nan 0.000 0.430 357 F N -0.998 119.089 119.950 0.227 0.000 2.817 357 F HA 0.285 4.812 4.527 0.001 0.000 0.333 357 F C 0.094 175.911 175.800 0.028 0.000 1.085 357 F CA -0.512 57.558 58.000 0.117 0.000 1.170 357 F CB 0.813 39.877 39.000 0.107 0.000 1.066 357 F HN -0.080 nan 8.300 nan 0.000 0.564 358 R N -1.874 118.749 120.500 0.206 0.000 3.139 358 R HA 0.287 4.628 4.340 0.001 0.000 0.287 358 R C -3.390 172.962 176.300 0.087 0.000 0.978 358 R CA -1.688 54.468 56.100 0.093 0.000 0.837 358 R CB -0.338 29.963 30.300 0.001 0.000 1.330 358 R HN -0.369 nan 8.270 nan 0.000 0.527 359 P HA -0.028 nan 4.420 nan 0.000 0.264 359 P C -0.258 177.059 177.300 0.028 0.000 1.183 359 P CA 0.293 63.408 63.100 0.025 0.000 0.763 359 P CB 0.676 32.369 31.700 -0.013 0.000 0.807 360 S N 2.106 117.835 115.700 0.048 0.000 2.589 360 S HA 0.145 4.616 4.470 0.001 0.000 0.265 360 S C 0.187 174.808 174.600 0.035 0.000 1.342 360 S CA -0.719 57.526 58.200 0.075 0.000 1.005 360 S CB 0.468 63.732 63.200 0.107 0.000 0.909 360 S HN 0.541 nan 8.310 nan 0.000 0.555 361 E N 1.172 121.415 120.200 0.071 0.000 2.301 361 E HA 0.391 4.742 4.350 0.001 0.000 0.275 361 E C -2.810 173.802 176.600 0.019 0.000 1.030 361 E CA -2.206 54.194 56.400 -0.000 0.000 0.852 361 E CB 0.683 30.381 29.700 -0.003 0.000 1.060 361 E HN 0.439 nan 8.360 nan 0.000 0.401 362 P HA 0.232 nan 4.420 nan 0.000 0.281 362 P C -0.808 176.389 177.300 -0.171 0.000 1.249 362 P CA -0.364 62.605 63.100 -0.218 0.000 0.810 362 P CB 0.823 31.993 31.700 -0.883 0.000 1.008 363 H N 1.977 121.036 119.070 -0.019 0.000 2.792 363 H HA 0.280 4.837 4.556 0.001 0.000 0.298 363 H C -0.203 175.226 175.328 0.169 0.000 1.042 363 H CA -0.377 55.754 56.048 0.137 0.000 1.300 363 H CB 0.205 30.084 29.762 0.194 0.000 1.431 363 H HN 0.306 nan 8.280 nan 0.000 0.496 364 F N 1.830 121.953 119.950 0.288 0.000 2.410 364 F HA 0.040 4.568 4.527 0.001 0.000 0.334 364 F C 1.709 177.696 175.800 0.312 0.000 1.134 364 F CA -0.298 57.885 58.000 0.304 0.000 1.227 364 F CB 0.858 39.968 39.000 0.183 0.000 1.194 364 F HN 0.366 nan 8.300 nan 0.000 0.571 365 T N 0.136 114.991 114.554 0.501 0.000 2.754 365 T HA 0.159 4.509 4.350 0.001 0.000 0.286 365 T C 1.073 175.963 174.700 0.317 0.000 0.997 365 T CA -0.792 61.538 62.100 0.383 0.000 0.982 365 T CB 0.715 69.794 68.868 0.353 0.000 1.027 365 T HN 0.580 nan 8.240 nan 0.000 0.529 366 L N 1.182 122.549 121.223 0.240 0.000 2.013 366 L HA -0.115 4.226 4.340 0.001 0.000 0.212 366 L C 2.016 178.997 176.870 0.185 0.000 1.073 366 L CA 2.543 57.499 54.840 0.193 0.000 0.753 366 L CB -1.054 41.097 42.059 0.153 0.000 0.890 366 L HN 0.928 nan 8.230 nan 0.000 0.432 367 D N -1.467 119.045 120.400 0.185 0.000 2.355 367 D HA 0.090 4.731 4.640 0.001 0.000 0.218 367 D C 1.660 178.071 176.300 0.184 0.000 1.004 367 D CA 0.753 54.851 54.000 0.165 0.000 0.880 367 D CB -0.522 40.365 40.800 0.145 0.000 0.911 367 D HN 0.457 nan 8.370 nan 0.000 0.528 368 G N 0.569 109.518 108.800 0.249 0.000 2.155 368 G HA2 -0.358 3.603 3.960 0.001 0.000 0.257 368 G HA3 -0.358 3.603 3.960 0.001 0.000 0.257 368 G C 0.924 176.025 174.900 0.335 0.000 0.983 368 G CA 0.427 45.698 45.100 0.285 0.000 0.676 368 G HN 0.374 nan 8.290 nan 0.000 0.528 369 N N 0.171 119.040 118.700 0.282 0.000 2.422 369 N HA 0.147 4.888 4.740 0.001 0.000 0.181 369 N C 1.081 176.729 175.510 0.229 0.000 1.080 369 N CA 1.202 54.391 53.050 0.232 0.000 0.893 369 N CB 0.357 38.937 38.487 0.155 0.000 0.973 369 N HN 0.904 nan 8.380 nan 0.000 0.456 370 S N -0.401 115.465 115.700 0.276 0.000 2.638 370 S HA 0.784 5.255 4.470 0.001 0.000 0.274 370 S C -0.937 173.772 174.600 0.182 0.000 1.157 370 S CA -0.989 57.261 58.200 0.083 0.000 0.826 370 S CB 1.934 65.091 63.200 -0.073 0.000 1.139 370 S HN 0.140 nan 8.310 nan 0.000 0.474 371 F N -2.066 117.740 119.950 -0.241 0.000 2.693 371 F HA 0.795 5.323 4.527 0.001 0.000 0.309 371 F C -2.304 173.327 175.800 -0.281 0.000 1.129 371 F CA -1.522 56.276 58.000 -0.338 0.000 0.948 371 F CB 0.549 38.947 39.000 -1.002 0.000 1.315 371 F HN 0.597 nan 8.300 nan 0.000 0.447 372 Y N 1.282 121.734 120.300 0.254 0.000 2.409 372 Y HA 0.700 5.251 4.550 0.001 0.000 0.339 372 Y C -0.219 175.833 175.900 0.254 0.000 1.033 372 Y CA -0.878 57.338 58.100 0.193 0.000 1.094 372 Y CB 2.119 40.627 38.460 0.080 0.000 1.210 372 Y HN 0.723 nan 8.280 nan 0.000 0.456 373 K N 3.075 123.684 120.400 0.348 0.000 2.550 373 K HA 0.497 4.817 4.320 0.001 0.000 0.252 373 K C -1.646 175.071 176.600 0.196 0.000 0.943 373 K CA -0.532 55.923 56.287 0.279 0.000 0.806 373 K CB 1.502 34.159 32.500 0.262 0.000 1.289 373 K HN 0.717 nan 8.250 nan 0.000 0.435 374 I N 6.681 127.338 120.570 0.145 0.000 2.452 374 I HA 0.213 4.384 4.170 0.001 0.000 0.287 374 I C 0.247 176.439 176.117 0.125 0.000 1.079 374 I CA -0.140 61.225 61.300 0.108 0.000 1.387 374 I CB 0.206 38.254 38.000 0.080 0.000 1.404 374 I HN 0.485 nan 8.210 nan 0.000 0.522 375 I N 2.111 122.778 120.570 0.162 0.000 3.095 375 I HA 0.484 4.655 4.170 0.001 0.000 0.310 375 I C -0.330 175.907 176.117 0.199 0.000 1.196 375 I CA -0.811 60.589 61.300 0.166 0.000 0.985 375 I CB 2.165 40.278 38.000 0.189 0.000 1.250 375 I HN 0.328 nan 8.210 nan 0.000 0.446 376 S N 2.870 118.630 115.700 0.099 0.000 2.505 376 S HA 0.250 4.720 4.470 0.001 0.000 0.276 376 S C -0.037 174.602 174.600 0.064 0.000 1.274 376 S CA -0.545 57.660 58.200 0.007 0.000 1.053 376 S CB -0.262 62.881 63.200 -0.095 0.000 0.919 376 S HN 0.818 nan 8.310 nan 0.000 0.490 377 N N 4.072 122.714 118.700 -0.098 0.000 2.366 377 N HA 0.174 4.914 4.740 0.001 0.000 0.277 377 N C 0.712 176.109 175.510 -0.190 0.000 1.275 377 N CA -0.387 52.451 53.050 -0.354 0.000 0.964 377 N CB -0.001 37.906 38.487 -0.966 0.000 1.167 377 N HN 0.540 nan 8.380 nan 0.000 0.568 378 E N -0.504 119.572 120.200 -0.206 0.000 2.333 378 E HA -0.131 4.219 4.350 0.001 0.000 0.198 378 E C 0.478 177.018 176.600 -0.099 0.000 1.007 378 E CA 0.891 57.223 56.400 -0.112 0.000 0.845 378 E CB -0.038 29.603 29.700 -0.097 0.000 0.766 378 E HN 0.616 nan 8.360 nan 0.000 0.507 379 E N -0.532 119.604 120.200 -0.106 0.000 2.474 379 E HA 0.080 4.431 4.350 0.001 0.000 0.194 379 E C 1.283 177.883 176.600 0.001 0.000 1.041 379 E CA 0.614 57.009 56.400 -0.009 0.000 0.874 379 E CB 0.511 30.238 29.700 0.045 0.000 0.914 379 E HN 0.312 nan 8.360 nan 0.000 0.498 380 G N 1.000 109.737 108.800 -0.105 0.000 2.141 380 G HA2 -0.271 3.690 3.960 0.001 0.000 0.242 380 G HA3 -0.271 3.690 3.960 0.001 0.000 0.242 380 G C -0.373 174.273 174.900 -0.423 0.000 0.982 380 G CA -0.043 44.896 45.100 -0.269 0.000 0.662 380 G HN 0.202 nan 8.290 nan 0.000 0.527 381 Y N 0.100 120.268 120.300 -0.221 0.000 2.360 381 Y HA 0.654 5.204 4.550 0.001 0.000 0.337 381 Y C 1.070 176.785 175.900 -0.307 0.000 1.039 381 Y CA -0.987 56.958 58.100 -0.258 0.000 1.109 381 Y CB 1.149 39.474 38.460 -0.224 0.000 1.201 381 Y HN 0.082 nan 8.280 nan 0.000 0.458 382 R N 3.741 124.084 120.500 -0.262 0.000 2.296 382 R HA 0.260 4.601 4.340 0.001 0.000 0.323 382 R C -0.766 175.217 176.300 -0.529 0.000 1.067 382 R CA -0.044 55.907 56.100 -0.249 0.000 0.946 382 R CB 0.052 30.264 30.300 -0.147 0.000 0.991 382 R HN 0.646 nan 8.270 nan 0.000 0.448 383 H N 1.805 120.856 119.070 -0.032 0.000 2.907 383 H HA 0.346 4.903 4.556 0.001 0.000 0.361 383 H C -0.031 175.349 175.328 0.088 0.000 1.194 383 H CA -0.990 55.020 56.048 -0.064 0.000 1.152 383 H CB 1.638 31.291 29.762 -0.180 0.000 1.867 383 H HN 0.306 nan 8.280 nan 0.000 0.561 384 I N 1.176 121.805 120.570 0.098 0.000 2.416 384 I HA 0.051 4.222 4.170 0.001 0.000 0.288 384 I C 0.363 176.464 176.117 -0.027 0.000 1.051 384 I CA 0.108 61.417 61.300 0.015 0.000 1.375 384 I CB 0.429 38.355 38.000 -0.123 0.000 1.407 384 I HN 0.157 nan 8.210 nan 0.000 0.516 385 c N 7.143 125.648 118.600 -0.158 0.000 2.417 385 c HA 0.432 5.003 4.570 0.001 0.000 0.324 385 c C -0.441 173.460 174.090 -0.316 0.000 1.240 385 c CA -0.516 55.481 56.329 -0.553 0.000 1.632 385 c CB 0.939 42.805 42.510 -1.074 0.000 2.241 385 c HN 0.640 nan 8.230 nan 0.000 0.499 386 Y N 4.717 124.666 120.300 -0.585 0.000 2.341 386 Y HA 0.638 5.189 4.550 0.001 0.000 0.340 386 Y C -1.005 174.429 175.900 -0.777 0.000 0.997 386 Y CA -0.939 56.764 58.100 -0.661 0.000 1.149 386 Y CB 0.199 38.381 38.460 -0.464 0.000 1.171 386 Y HN 0.628 nan 8.280 nan 0.000 0.494 387 F N 3.832 123.078 119.950 -1.173 0.000 2.492 387 F HA 0.440 4.968 4.527 0.001 0.000 0.327 387 F C -0.136 174.938 175.800 -1.209 0.000 1.079 387 F CA -0.893 56.328 58.000 -1.299 0.000 0.967 387 F CB 1.657 39.422 39.000 -2.058 0.000 1.169 387 F HN 0.297 nan 8.300 nan 0.000 0.472 388 Q N 2.371 121.851 119.800 -0.533 0.000 2.271 388 Q HA 0.344 4.685 4.340 0.001 0.000 0.258 388 Q C 0.946 176.937 176.000 -0.015 0.000 0.936 388 Q CA -0.275 55.345 55.803 -0.304 0.000 0.909 388 Q CB 1.484 30.088 28.738 -0.223 0.000 1.253 388 Q HN 0.698 nan 8.270 nan 0.000 0.440 389 I N -0.512 120.136 120.570 0.131 0.000 2.530 389 I HA -0.123 4.048 4.170 0.001 0.000 0.257 389 I C 0.293 176.617 176.117 0.345 0.000 1.179 389 I CA 1.413 62.929 61.300 0.361 0.000 1.440 389 I CB 0.027 38.241 38.000 0.357 0.000 1.087 389 I HN 0.434 nan 8.210 nan 0.000 0.440 390 D N 0.566 121.069 120.400 0.172 0.000 2.670 390 D HA 0.283 4.924 4.640 0.001 0.000 0.255 390 D C -0.327 175.996 176.300 0.037 0.000 1.286 390 D CA -0.342 53.708 54.000 0.084 0.000 0.830 390 D CB 0.355 41.186 40.800 0.052 0.000 1.065 390 D HN 0.171 nan 8.370 nan 0.000 0.486 391 K N 0.507 120.954 120.400 0.080 0.000 2.507 391 K HA 0.304 4.624 4.320 0.001 0.000 0.251 391 K C 0.876 177.517 176.600 0.068 0.000 0.943 391 K CA -0.649 55.651 56.287 0.022 0.000 0.794 391 K CB 2.152 34.631 32.500 -0.035 0.000 1.188 391 K HN -0.352 nan 8.250 nan 0.000 0.428 392 K N 0.599 120.992 120.400 -0.012 0.000 2.025 392 K HA -0.009 4.312 4.320 0.001 0.000 0.207 392 K C -0.251 176.372 176.600 0.039 0.000 1.049 392 K CA 1.303 57.591 56.287 0.002 0.000 0.933 392 K CB 0.028 32.507 32.500 -0.036 0.000 0.714 392 K HN 0.620 nan 8.250 nan 0.000 0.438 393 D N 1.369 121.737 120.400 -0.054 0.000 2.256 393 D HA 0.089 4.730 4.640 0.001 0.000 0.250 393 D C 0.411 176.523 176.300 -0.313 0.000 1.093 393 D CA -0.196 53.717 54.000 -0.145 0.000 0.882 393 D CB 1.168 41.898 40.800 -0.118 0.000 1.185 393 D HN 0.209 nan 8.370 nan 0.000 0.437 394 c N 0.355 118.612 118.600 -0.572 0.000 2.401 394 c HA 0.772 5.343 4.570 0.001 0.000 0.356 394 c C 0.229 173.923 174.090 -0.661 0.000 1.192 394 c CA -0.612 55.145 56.329 -0.953 0.000 2.028 394 c CB 1.113 42.329 42.510 -2.156 0.000 2.344 394 c HN 0.475 nan 8.230 nan 0.000 0.525 395 T N 2.116 116.338 114.554 -0.554 0.000 2.779 395 T HA 0.492 4.843 4.350 0.001 0.000 0.280 395 T C -0.674 173.818 174.700 -0.347 0.000 0.987 395 T CA 0.150 62.075 62.100 -0.291 0.000 0.966 395 T CB 0.406 69.240 68.868 -0.057 0.000 0.933 395 T HN 0.502 nan 8.240 nan 0.000 0.442 396 F N 3.078 122.909 119.950 -0.197 0.000 2.456 396 F HA 0.291 4.819 4.527 0.001 0.000 0.358 396 F C 1.614 177.246 175.800 -0.280 0.000 1.095 396 F CA -0.767 57.101 58.000 -0.221 0.000 1.216 396 F CB 0.550 39.422 39.000 -0.213 0.000 1.125 396 F HN 0.571 nan 8.300 nan 0.000 0.549 397 I N -0.685 119.751 120.570 -0.224 0.000 4.018 397 I HA 0.247 4.418 4.170 0.001 0.000 0.337 397 I C 0.072 176.004 176.117 -0.309 0.000 1.327 397 I CA 0.072 61.035 61.300 -0.561 0.000 1.100 397 I CB -0.025 37.345 38.000 -1.049 0.000 1.025 397 I HN 0.496 nan 8.210 nan 0.000 0.396 398 T N 0.091 114.523 114.554 -0.203 0.000 2.896 398 T HA 0.720 5.071 4.350 0.001 0.000 0.297 398 T C -0.751 173.572 174.700 -0.628 0.000 1.108 398 T CA -0.713 61.249 62.100 -0.229 0.000 1.004 398 T CB 2.678 71.481 68.868 -0.109 0.000 1.159 398 T HN 0.480 nan 8.240 nan 0.000 0.499 399 K N -0.265 119.577 120.400 -0.929 0.000 2.642 399 K HA 0.759 5.080 4.320 0.001 0.000 0.290 399 K C -0.574 175.371 176.600 -1.091 0.000 1.006 399 K CA -0.973 54.475 56.287 -1.398 0.000 0.869 399 K CB 1.328 33.411 32.500 -0.696 0.000 1.499 399 K HN 1.615 nan 8.250 nan 0.000 0.403 400 G N 0.023 108.212 108.800 -1.018 0.000 2.339 400 G HA2 0.098 4.059 3.960 0.001 0.000 0.381 400 G HA3 0.098 4.059 3.960 0.001 0.000 0.381 400 G C -0.681 173.687 174.900 -0.886 0.000 1.400 400 G CA -0.388 44.288 45.100 -0.708 0.000 1.002 400 G HN 1.007 nan 8.290 nan 0.000 0.633 401 T N -0.296 113.901 114.554 -0.594 0.000 4.309 401 T HA 0.540 4.890 4.350 0.001 0.000 0.242 401 T C 0.267 174.821 174.700 -0.244 0.000 1.142 401 T CA 0.568 62.148 62.100 -0.867 0.000 1.042 401 T CB -0.968 67.627 68.868 -0.456 0.000 1.366 401 T HN 1.480 nan 8.240 nan 0.000 0.942 402 W N -0.360 120.808 121.300 -0.221 0.000 2.937 402 W HA 0.643 5.304 4.660 0.001 0.000 0.360 402 W C -1.447 175.094 176.519 0.037 0.000 1.215 402 W CA -0.981 56.372 57.345 0.014 0.000 1.183 402 W CB 0.679 30.131 29.460 -0.013 0.000 1.458 402 W HN 0.167 nan 8.180 nan 0.000 0.574 403 E N 0.739 121.161 120.200 0.370 0.000 2.343 403 E HA 0.467 4.818 4.350 0.001 0.000 0.270 403 E C -1.212 175.538 176.600 0.251 0.000 0.895 403 E CA -1.164 55.260 56.400 0.040 0.000 0.767 403 E CB 3.385 33.120 29.700 0.057 0.000 1.248 403 E HN 0.162 nan 8.360 nan 0.000 0.440 404 V N 3.568 123.493 119.914 0.020 0.000 2.461 404 V HA 0.040 4.161 4.120 0.001 0.000 0.275 404 V C 1.200 177.389 176.094 0.158 0.000 1.047 404 V CA -0.131 62.265 62.300 0.159 0.000 0.955 404 V CB 0.725 32.521 31.823 -0.046 0.000 0.988 404 V HN 0.679 nan 8.190 nan 0.000 0.471 405 I N 3.077 123.772 120.570 0.209 0.000 2.339 405 I HA 0.245 4.416 4.170 0.001 0.000 0.245 405 I C 1.117 177.345 176.117 0.185 0.000 1.096 405 I CA 1.211 62.626 61.300 0.192 0.000 1.408 405 I CB -0.762 37.294 38.000 0.093 0.000 1.092 405 I HN 0.747 nan 8.210 nan 0.000 0.423 406 G N 0.642 109.550 108.800 0.180 0.000 2.667 406 G HA2 0.539 4.500 3.960 0.001 0.000 0.294 406 G HA3 0.539 4.500 3.960 0.001 0.000 0.294 406 G C -1.258 173.722 174.900 0.135 0.000 1.467 406 G CA -0.561 44.633 45.100 0.157 0.000 0.852 406 G HN -0.035 nan 8.290 nan 0.000 0.521 407 I N 1.533 122.110 120.570 0.011 0.000 2.371 407 I HA 0.243 4.414 4.170 0.001 0.000 0.290 407 I C 0.717 176.802 176.117 -0.053 0.000 1.028 407 I CA -0.485 60.731 61.300 -0.139 0.000 1.345 407 I CB 1.678 39.301 38.000 -0.628 0.000 1.407 407 I HN 0.510 nan 8.210 nan 0.000 0.501 408 E N 4.946 125.157 120.200 0.018 0.000 2.340 408 E HA 0.339 4.690 4.350 0.001 0.000 0.198 408 E C 0.075 176.606 176.600 -0.115 0.000 0.961 408 E CA 0.189 56.622 56.400 0.055 0.000 0.905 408 E CB 0.921 30.714 29.700 0.155 0.000 0.884 408 E HN 0.662 nan 8.360 nan 0.000 0.491 409 A N 0.770 123.431 122.820 -0.266 0.000 2.594 409 A HA 0.587 4.907 4.320 0.001 0.000 0.296 409 A C -1.971 175.542 177.584 -0.118 0.000 1.061 409 A CA -0.653 51.154 52.037 -0.384 0.000 0.689 409 A CB 1.269 19.459 19.000 -1.351 0.000 1.280 409 A HN 0.043 nan 8.150 nan 0.000 0.406 410 L N 1.597 122.804 121.223 -0.027 0.000 2.436 410 L HA 0.879 5.220 4.340 0.001 0.000 0.268 410 L C 0.089 177.004 176.870 0.075 0.000 0.974 410 L CA 0.499 55.356 54.840 0.029 0.000 0.826 410 L CB 2.187 44.285 42.059 0.066 0.000 1.291 410 L HN 1.232 nan 8.230 nan 0.000 0.406 411 T N -0.360 114.249 114.554 0.092 0.000 2.888 411 T HA 0.417 4.768 4.350 0.001 0.000 0.288 411 T C 0.958 175.699 174.700 0.069 0.000 1.063 411 T CA 0.055 62.221 62.100 0.110 0.000 1.010 411 T CB 1.200 70.172 68.868 0.172 0.000 1.214 411 T HN 0.688 nan 8.240 nan 0.000 0.533 412 S N -0.312 115.429 115.700 0.067 0.000 2.423 412 S HA -0.093 4.377 4.470 0.001 0.000 0.231 412 S C 0.956 175.534 174.600 -0.037 0.000 1.014 412 S CA 1.122 59.345 58.200 0.038 0.000 0.965 412 S CB -0.548 62.679 63.200 0.046 0.000 0.785 412 S HN 0.718 nan 8.310 nan 0.000 0.495 413 D N -0.663 119.696 120.400 -0.069 0.000 2.338 413 D HA 0.244 4.885 4.640 0.001 0.000 0.208 413 D C -0.414 175.556 176.300 -0.550 0.000 0.997 413 D CA 0.607 54.436 54.000 -0.286 0.000 0.880 413 D CB 0.291 40.925 40.800 -0.276 0.000 0.980 413 D HN 0.446 nan 8.370 nan 0.000 0.509 414 Y N -0.256 119.975 120.300 -0.115 0.000 2.553 414 Y HA 0.473 5.024 4.550 0.001 0.000 0.347 414 Y C -0.651 175.055 175.900 -0.324 0.000 1.019 414 Y CA -1.036 56.899 58.100 -0.275 0.000 1.032 414 Y CB 2.564 40.735 38.460 -0.482 0.000 1.284 414 Y HN -0.287 nan 8.280 nan 0.000 0.466 415 L N 2.668 123.756 121.223 -0.224 0.000 2.356 415 L HA 0.601 4.942 4.340 0.001 0.000 0.277 415 L C -1.892 174.837 176.870 -0.235 0.000 0.996 415 L CA -0.578 54.114 54.840 -0.246 0.000 0.822 415 L CB 0.894 42.707 42.059 -0.411 0.000 1.256 415 L HN 0.602 nan 8.230 nan 0.000 0.413 416 Y N 4.845 125.058 120.300 -0.145 0.000 2.342 416 Y HA 0.562 5.113 4.550 0.001 0.000 0.334 416 Y C -0.403 175.484 175.900 -0.022 0.000 1.067 416 Y CA -0.296 57.710 58.100 -0.157 0.000 1.128 416 Y CB 1.331 39.559 38.460 -0.387 0.000 1.200 416 Y HN 0.544 nan 8.280 nan 0.000 0.464 417 Y N -0.165 120.185 120.300 0.084 0.000 2.625 417 Y HA 0.796 5.347 4.550 0.001 0.000 0.338 417 Y C -1.816 174.167 175.900 0.138 0.000 1.123 417 Y CA -1.993 56.152 58.100 0.075 0.000 1.046 417 Y CB 1.112 39.591 38.460 0.032 0.000 1.299 417 Y HN 0.419 nan 8.280 nan 0.000 0.464 418 I N 3.010 123.736 120.570 0.260 0.000 2.404 418 I HA 0.630 4.801 4.170 0.001 0.000 0.293 418 I C -0.404 175.899 176.117 0.310 0.000 0.992 418 I CA -0.423 60.980 61.300 0.172 0.000 1.149 418 I CB 1.901 39.952 38.000 0.086 0.000 1.315 418 I HN 0.862 nan 8.210 nan 0.000 0.446 419 S N 3.237 119.107 115.700 0.282 0.000 2.651 419 S HA 0.427 4.898 4.470 0.001 0.000 0.279 419 S C -0.490 174.193 174.600 0.137 0.000 1.148 419 S CA -0.896 57.467 58.200 0.272 0.000 0.837 419 S CB 1.697 65.100 63.200 0.338 0.000 1.138 419 S HN 0.631 nan 8.310 nan 0.000 0.478 420 N N -0.319 118.456 118.700 0.124 0.000 2.321 420 N HA 0.136 4.877 4.740 0.001 0.000 0.242 420 N C 0.584 176.090 175.510 -0.007 0.000 1.141 420 N CA -0.229 52.846 53.050 0.041 0.000 0.864 420 N CB 0.230 38.729 38.487 0.020 0.000 1.100 420 N HN 0.833 nan 8.380 nan 0.000 0.510 421 E N 0.008 120.076 120.200 -0.220 0.000 2.072 421 E HA -0.215 4.136 4.350 0.001 0.000 0.191 421 E C -0.294 176.153 176.600 -0.254 0.000 0.985 421 E CA 0.277 56.296 56.400 -0.634 0.000 0.801 421 E CB -0.129 28.511 29.700 -1.767 0.000 0.750 421 E HN 0.392 nan 8.360 nan 0.000 0.452 422 Y N 2.174 122.378 120.300 -0.161 0.000 2.881 422 Y HA -0.174 4.377 4.550 0.001 0.000 0.335 422 Y C 0.380 176.236 175.900 -0.073 0.000 1.263 422 Y CA 1.014 59.067 58.100 -0.078 0.000 1.572 422 Y CB 0.030 38.471 38.460 -0.033 0.000 1.237 422 Y HN 0.118 nan 8.280 nan 0.000 0.568 423 K N 3.544 123.600 120.400 -0.573 0.000 3.048 423 K HA -0.266 4.054 4.320 0.001 0.000 0.274 423 K C 0.945 177.439 176.600 -0.177 0.000 1.098 423 K CA 0.811 56.831 56.287 -0.444 0.000 0.807 423 K CB -1.747 30.412 32.500 -0.569 0.000 1.217 423 K HN 1.278 nan 8.250 nan 0.000 0.477 424 G N 0.518 109.240 108.800 -0.129 0.000 2.212 424 G HA2 -0.345 3.616 3.960 0.001 0.000 0.267 424 G HA3 -0.345 3.616 3.960 0.001 0.000 0.267 424 G C 0.093 174.938 174.900 -0.091 0.000 1.002 424 G CA 0.917 45.988 45.100 -0.047 0.000 0.729 424 G HN 0.365 nan 8.290 nan 0.000 0.517 425 M N 1.096 120.580 119.600 -0.193 0.000 2.135 425 M HA 0.212 4.692 4.480 0.001 0.000 0.345 425 M C -0.803 175.250 176.300 -0.411 0.000 1.340 425 M CA -1.788 53.236 55.300 -0.460 0.000 1.162 425 M CB 1.251 33.658 32.600 -0.321 0.000 1.570 425 M HN -0.060 nan 8.290 nan 0.000 0.454 426 P HA -0.076 nan 4.420 nan 0.000 0.225 426 P C 0.967 178.140 177.300 -0.212 0.000 1.148 426 P CA 1.143 64.075 63.100 -0.279 0.000 0.779 426 P CB 0.136 31.687 31.700 -0.248 0.000 0.780 427 G N -0.579 108.037 108.800 -0.307 0.000 3.284 427 G HA2 0.331 4.291 3.960 0.001 0.000 0.236 427 G HA3 0.331 4.291 3.960 0.001 0.000 0.236 427 G C 0.593 175.517 174.900 0.040 0.000 1.158 427 G CA 0.010 45.055 45.100 -0.091 0.000 0.774 427 G HN 0.414 nan 8.290 nan 0.000 0.545 428 G N -0.049 108.722 108.800 -0.049 0.000 2.432 428 G HA2 0.655 4.616 3.960 0.001 0.000 0.331 428 G HA3 0.655 4.616 3.960 0.001 0.000 0.331 428 G C -0.826 174.005 174.900 -0.115 0.000 1.170 428 G CA -0.770 44.338 45.100 0.014 0.000 0.943 428 G HN 0.094 nan 8.290 nan 0.000 0.483 429 R N 1.303 121.691 120.500 -0.187 0.000 2.574 429 R HA 0.438 4.779 4.340 0.001 0.000 0.288 429 R C -1.258 174.997 176.300 -0.075 0.000 1.004 429 R CA -0.819 55.123 56.100 -0.263 0.000 0.895 429 R CB 2.276 32.158 30.300 -0.696 0.000 1.191 429 R HN 0.597 nan 8.270 nan 0.000 0.444 430 N N 1.511 120.172 118.700 -0.065 0.000 2.416 430 N HA 0.344 5.084 4.740 0.001 0.000 0.276 430 N C -1.334 173.987 175.510 -0.316 0.000 1.261 430 N CA -0.827 52.082 53.050 -0.236 0.000 0.790 430 N CB 2.673 40.898 38.487 -0.437 0.000 1.554 430 N HN 0.252 nan 8.380 nan 0.000 0.481 431 L N 1.899 122.801 121.223 -0.535 0.000 2.292 431 L HA 0.486 4.826 4.340 0.001 0.000 0.284 431 L C -1.428 175.034 176.870 -0.680 0.000 1.065 431 L CA 0.043 54.614 54.840 -0.449 0.000 0.806 431 L CB -0.019 41.789 42.059 -0.419 0.000 1.175 431 L HN 0.424 nan 8.230 nan 0.000 0.431 432 Y N 3.288 123.241 120.300 -0.578 0.000 2.576 432 Y HA 0.625 5.176 4.550 0.001 0.000 0.346 432 Y C -0.549 174.982 175.900 -0.614 0.000 1.018 432 Y CA -0.926 56.776 58.100 -0.664 0.000 1.050 432 Y CB 1.737 39.612 38.460 -0.975 0.000 1.280 432 Y HN 0.549 nan 8.280 nan 0.000 0.474 433 K N 1.901 122.129 120.400 -0.287 0.000 2.422 433 K HA 0.789 5.110 4.320 0.001 0.000 0.251 433 K C -1.916 174.634 176.600 -0.084 0.000 0.933 433 K CA -0.742 55.304 56.287 -0.402 0.000 0.798 433 K CB 2.928 34.932 32.500 -0.827 0.000 1.238 433 K HN 0.762 nan 8.250 nan 0.000 0.428 434 I N 1.624 122.228 120.570 0.057 0.000 2.509 434 I HA 0.181 4.352 4.170 0.001 0.000 0.293 434 I C -0.822 175.399 176.117 0.173 0.000 1.020 434 I CA -0.825 60.576 61.300 0.170 0.000 1.088 434 I CB 2.213 40.328 38.000 0.192 0.000 1.267 434 I HN 0.813 nan 8.210 nan 0.000 0.430 435 Q N 6.021 125.909 119.800 0.146 0.000 2.281 435 Q HA 0.196 4.537 4.340 0.001 0.000 0.267 435 Q C 0.543 176.494 176.000 -0.082 0.000 1.053 435 Q CA -0.125 55.595 55.803 -0.138 0.000 0.905 435 Q CB 1.085 29.763 28.738 -0.100 0.000 1.195 435 Q HN 0.778 nan 8.270 nan 0.000 0.398 436 L N 2.188 123.296 121.223 -0.192 0.000 2.353 436 L HA -0.154 4.186 4.340 0.001 0.000 0.220 436 L C 1.946 178.732 176.870 -0.139 0.000 1.133 436 L CA 1.075 55.885 54.840 -0.049 0.000 0.798 436 L CB -0.274 41.715 42.059 -0.117 0.000 0.922 436 L HN 0.614 nan 8.230 nan 0.000 0.445 437 S N -2.980 112.590 115.700 -0.217 0.000 2.535 437 S HA 0.034 4.505 4.470 0.001 0.000 0.214 437 S C 0.382 174.807 174.600 -0.292 0.000 0.980 437 S CA -0.271 57.782 58.200 -0.245 0.000 0.907 437 S CB 0.248 63.340 63.200 -0.180 0.000 0.790 437 S HN 0.323 nan 8.310 nan 0.000 0.510 438 D N 0.074 120.314 120.400 -0.265 0.000 2.351 438 D HA 0.203 4.843 4.640 0.001 0.000 0.235 438 D C -0.424 175.845 176.300 -0.052 0.000 1.331 438 D CA -0.520 53.357 54.000 -0.206 0.000 0.959 438 D CB -0.027 40.709 40.800 -0.106 0.000 1.432 438 D HN -0.029 nan 8.370 nan 0.000 0.544 439 Y N 0.820 121.101 120.300 -0.031 0.000 2.556 439 Y HA -0.121 4.429 4.550 0.001 0.000 0.290 439 Y C 2.576 178.480 175.900 0.007 0.000 1.149 439 Y CA 1.489 59.581 58.100 -0.013 0.000 1.329 439 Y CB -1.075 37.377 38.460 -0.013 0.000 0.975 439 Y HN 0.428 nan 8.280 nan 0.000 0.561 440 T N -2.945 111.683 114.554 0.123 0.000 3.023 440 T HA -0.042 4.309 4.350 0.001 0.000 0.266 440 T C 0.819 175.568 174.700 0.082 0.000 1.093 440 T CA 0.322 62.474 62.100 0.086 0.000 1.129 440 T CB -0.076 68.818 68.868 0.044 0.000 0.899 440 T HN -0.101 nan 8.240 nan 0.000 0.491 441 K N 2.612 123.062 120.400 0.084 0.000 2.150 441 K HA 0.454 4.775 4.320 0.001 0.000 0.261 441 K C -1.021 175.650 176.600 0.118 0.000 1.127 441 K CA -0.179 56.160 56.287 0.086 0.000 0.989 441 K CB 0.774 33.319 32.500 0.074 0.000 1.475 441 K HN 0.209 nan 8.250 nan 0.000 0.391 442 V N 2.511 122.489 119.914 0.108 0.000 2.417 442 V HA 0.305 4.426 4.120 0.001 0.000 0.291 442 V C -0.017 176.133 176.094 0.093 0.000 1.024 442 V CA -0.626 61.747 62.300 0.121 0.000 0.861 442 V CB 1.936 33.840 31.823 0.135 0.000 0.985 442 V HN 0.541 nan 8.190 nan 0.000 0.436 443 T N 3.497 118.086 114.554 0.058 0.000 2.809 443 T HA 0.246 4.596 4.350 0.001 0.000 0.284 443 T C -0.387 174.258 174.700 -0.092 0.000 0.992 443 T CA -0.286 61.804 62.100 -0.016 0.000 0.957 443 T CB 1.202 70.021 68.868 -0.082 0.000 0.942 443 T HN 0.751 nan 8.240 nan 0.000 0.439 444 C N 4.992 124.185 119.300 -0.178 0.000 2.499 444 C HA 0.426 4.887 4.460 0.001 0.000 0.386 444 C C 1.527 176.222 174.990 -0.491 0.000 1.293 444 C CA -0.500 58.153 59.018 -0.607 0.000 1.884 444 C CB -1.641 25.669 27.740 -0.717 0.000 2.509 444 C HN 0.985 nan 8.230 nan 0.000 0.566 445 L N 4.743 125.630 121.223 -0.560 0.000 2.616 445 L HA 0.138 4.479 4.340 0.001 0.000 0.229 445 L C 1.954 178.518 176.870 -0.510 0.000 1.110 445 L CA 0.560 55.150 54.840 -0.416 0.000 0.884 445 L CB -0.181 41.675 42.059 -0.339 0.000 1.115 445 L HN 0.870 nan 8.230 nan 0.000 0.481 446 S N -3.192 112.086 115.700 -0.705 0.000 2.628 446 S HA 0.002 4.473 4.470 0.001 0.000 0.246 446 S C 1.773 175.970 174.600 -0.673 0.000 1.062 446 S CA -0.101 57.569 58.200 -0.884 0.000 1.028 446 S CB -0.261 62.018 63.200 -1.535 0.000 0.985 446 S HN 0.279 nan 8.310 nan 0.000 0.551 447 C N 2.269 121.155 119.300 -0.691 0.000 2.367 447 C HA -0.018 4.443 4.460 0.001 0.000 0.276 447 C C 2.529 177.237 174.990 -0.470 0.000 1.195 447 C CA 1.551 60.104 59.018 -0.775 0.000 1.756 447 C CB -1.118 25.946 27.740 -1.126 0.000 2.046 447 C HN 0.605 nan 8.230 nan 0.000 0.453 448 E N 0.164 120.164 120.200 -0.334 0.000 2.479 448 E HA 0.146 4.497 4.350 0.001 0.000 0.193 448 E C 1.904 178.449 176.600 -0.092 0.000 1.049 448 E CA -0.030 56.273 56.400 -0.161 0.000 0.870 448 E CB -0.288 29.341 29.700 -0.119 0.000 0.944 448 E HN 0.561 nan 8.360 nan 0.000 0.492 449 L N 0.225 121.389 121.223 -0.099 0.000 2.013 449 L HA -0.137 4.203 4.340 0.001 0.000 0.212 449 L C 0.939 177.816 176.870 0.012 0.000 1.073 449 L CA 1.025 55.849 54.840 -0.027 0.000 0.753 449 L CB -0.086 41.977 42.059 0.007 0.000 0.890 449 L HN 0.150 nan 8.230 nan 0.000 0.432 450 N N -1.654 117.065 118.700 0.032 0.000 3.111 450 N HA 0.058 4.799 4.740 0.001 0.000 0.200 450 N C -2.098 173.432 175.510 0.034 0.000 1.464 450 N CA -0.765 52.301 53.050 0.026 0.000 0.758 450 N CB 0.699 39.197 38.487 0.019 0.000 1.548 450 N HN -0.187 nan 8.380 nan 0.000 0.595 451 P HA -0.160 nan 4.420 nan 0.000 0.217 451 P C 0.704 178.042 177.300 0.063 0.000 1.148 451 P CA 1.332 64.475 63.100 0.073 0.000 0.828 451 P CB 0.688 32.447 31.700 0.100 0.000 0.783 452 E N -0.247 119.973 120.200 0.035 0.000 2.046 452 E HA -0.132 4.218 4.350 0.001 0.000 0.190 452 E C 2.457 179.055 176.600 -0.002 0.000 0.982 452 E CA 0.731 57.143 56.400 0.020 0.000 0.800 452 E CB -0.266 29.439 29.700 0.009 0.000 0.756 452 E HN 0.201 nan 8.360 nan 0.000 0.449 453 R N -0.027 120.460 120.500 -0.022 0.000 2.140 453 R HA 0.062 4.403 4.340 0.001 0.000 0.213 453 R C -0.138 176.108 176.300 -0.090 0.000 1.059 453 R CA 0.573 56.636 56.100 -0.061 0.000 1.000 453 R CB 0.376 30.631 30.300 -0.075 0.000 0.910 453 R HN 0.090 nan 8.270 nan 0.000 0.455 454 c N 0.899 119.453 118.600 -0.077 0.000 2.316 454 c HA 0.418 4.989 4.570 0.001 0.000 0.324 454 c C -0.088 173.968 174.090 -0.057 0.000 1.226 454 c CA -0.673 55.548 56.329 -0.180 0.000 1.450 454 c CB 1.393 43.725 42.510 -0.297 0.000 2.123 454 c HN 0.528 nan 8.230 nan 0.000 0.454 455 Q N 0.501 120.267 119.800 -0.056 0.000 2.073 455 Q HA 0.209 4.549 4.340 0.001 0.000 0.215 455 Q C -1.041 175.031 176.000 0.121 0.000 0.776 455 Q CA 0.060 55.915 55.803 0.086 0.000 1.008 455 Q CB 1.307 30.110 28.738 0.109 0.000 1.196 455 Q HN 0.802 nan 8.270 nan 0.000 0.458 456 Y N 0.323 120.529 120.300 -0.158 0.000 2.317 456 Y HA 0.375 4.926 4.550 0.001 0.000 0.329 456 Y C -1.729 174.044 175.900 -0.212 0.000 1.101 456 Y CA -0.964 57.072 58.100 -0.106 0.000 1.228 456 Y CB 0.813 39.212 38.460 -0.100 0.000 1.123 456 Y HN -0.072 nan 8.280 nan 0.000 0.457 457 Y N 2.330 122.566 120.300 -0.106 0.000 2.549 457 Y HA 0.713 5.263 4.550 0.001 0.000 0.339 457 Y C 0.213 176.054 175.900 -0.099 0.000 1.053 457 Y CA -0.634 57.413 58.100 -0.088 0.000 1.105 457 Y CB 2.356 40.731 38.460 -0.141 0.000 1.258 457 Y HN 0.514 nan 8.280 nan 0.000 0.478 458 S N 0.456 116.247 115.700 0.151 0.000 2.661 458 S HA 0.877 5.348 4.470 0.001 0.000 0.285 458 S C -1.621 173.056 174.600 0.129 0.000 1.138 458 S CA -0.751 57.519 58.200 0.116 0.000 0.855 458 S CB 1.857 65.137 63.200 0.134 0.000 1.136 458 S HN 0.648 nan 8.310 nan 0.000 0.484 459 V N 0.010 120.007 119.914 0.138 0.000 3.159 459 V HA 0.874 4.995 4.120 0.001 0.000 0.308 459 V C -1.343 174.872 176.094 0.201 0.000 1.190 459 V CA -0.296 62.080 62.300 0.125 0.000 1.037 459 V CB 2.315 34.169 31.823 0.050 0.000 1.060 459 V HN 1.193 nan 8.190 nan 0.000 0.437 460 S N 3.665 119.485 115.700 0.200 0.000 2.789 460 S HA 0.658 5.128 4.470 0.001 0.000 0.286 460 S C -1.254 173.539 174.600 0.322 0.000 1.153 460 S CA -0.367 58.041 58.200 0.347 0.000 1.084 460 S CB 0.344 63.791 63.200 0.411 0.000 1.036 460 S HN 0.492 nan 8.310 nan 0.000 0.484 461 F N 3.057 123.069 119.950 0.104 0.000 2.371 461 F HA 0.459 4.987 4.527 0.001 0.000 0.329 461 F C 1.404 176.824 175.800 -0.634 0.000 1.107 461 F CA -0.200 57.703 58.000 -0.162 0.000 1.137 461 F CB 1.379 40.265 39.000 -0.191 0.000 1.214 461 F HN 0.613 nan 8.300 nan 0.000 0.536 462 S N 2.088 117.224 115.700 -0.941 0.000 2.634 462 S HA 0.183 4.654 4.470 0.001 0.000 0.261 462 S C 1.291 175.680 174.600 -0.351 0.000 1.271 462 S CA -0.791 56.615 58.200 -1.324 0.000 0.985 462 S CB 0.807 63.219 63.200 -1.313 0.000 0.968 462 S HN 0.568 nan 8.310 nan 0.000 0.568 463 K N 0.845 121.167 120.400 -0.130 0.000 2.097 463 K HA -0.156 4.164 4.320 0.001 0.000 0.214 463 K C 0.887 177.506 176.600 0.033 0.000 1.052 463 K CA 1.828 58.130 56.287 0.026 0.000 0.932 463 K CB -0.446 32.106 32.500 0.087 0.000 0.716 463 K HN 0.703 nan 8.250 nan 0.000 0.455 464 E N -1.106 119.109 120.200 0.025 0.000 2.585 464 E HA 0.243 4.594 4.350 0.001 0.000 0.206 464 E C 0.158 176.770 176.600 0.021 0.000 1.007 464 E CA 0.206 56.631 56.400 0.042 0.000 1.028 464 E CB 0.641 30.380 29.700 0.065 0.000 1.087 464 E HN 0.254 nan 8.360 nan 0.000 0.455 465 A N 1.230 124.049 122.820 -0.001 0.000 2.847 465 A HA -0.340 3.981 4.320 0.001 0.000 0.263 465 A C 1.557 179.166 177.584 0.041 0.000 1.391 465 A CA 1.749 53.820 52.037 0.056 0.000 0.866 465 A CB -2.080 16.857 19.000 -0.105 0.000 1.057 465 A HN 0.291 nan 8.150 nan 0.000 0.673 466 K N -1.809 118.560 120.400 -0.052 0.000 2.155 466 K HA 0.067 4.388 4.320 0.001 0.000 0.203 466 K C 0.102 176.402 176.600 -0.500 0.000 1.052 466 K CA 1.507 57.660 56.287 -0.224 0.000 0.948 466 K CB -0.031 32.357 32.500 -0.187 0.000 0.728 466 K HN 0.676 nan 8.250 nan 0.000 0.448 467 Y N -0.925 119.309 120.300 -0.111 0.000 2.545 467 Y HA 0.319 4.870 4.550 0.001 0.000 0.348 467 Y C -0.996 174.763 175.900 -0.234 0.000 1.002 467 Y CA -1.353 56.654 58.100 -0.155 0.000 1.039 467 Y CB 1.725 40.124 38.460 -0.101 0.000 1.271 467 Y HN -0.044 nan 8.280 nan 0.000 0.467 468 Y N -0.910 119.293 120.300 -0.162 0.000 2.534 468 Y HA 0.573 5.124 4.550 0.001 0.000 0.345 468 Y C -1.171 174.717 175.900 -0.020 0.000 1.031 468 Y CA -1.504 56.343 58.100 -0.423 0.000 1.022 468 Y CB 1.522 39.126 38.460 -1.427 0.000 1.292 468 Y HN 0.590 nan 8.280 nan 0.000 0.459 469 Q N 3.536 123.460 119.800 0.207 0.000 2.271 469 Q HA 0.585 4.925 4.340 0.001 0.000 0.258 469 Q C -1.850 174.244 176.000 0.157 0.000 0.936 469 Q CA -0.735 55.172 55.803 0.174 0.000 0.909 469 Q CB 1.453 30.280 28.738 0.148 0.000 1.253 469 Q HN 0.975 nan 8.270 nan 0.000 0.440 470 L N 4.014 125.336 121.223 0.164 0.000 2.317 470 L HA 0.558 4.899 4.340 0.001 0.000 0.281 470 L C -0.147 176.791 176.870 0.115 0.000 1.024 470 L CA -0.580 54.346 54.840 0.144 0.000 0.810 470 L CB 1.645 43.758 42.059 0.091 0.000 1.240 470 L HN 0.582 nan 8.230 nan 0.000 0.427 471 R N 3.397 123.938 120.500 0.069 0.000 2.310 471 R HA 0.327 4.668 4.340 0.001 0.000 0.316 471 R C -0.990 175.156 176.300 -0.256 0.000 1.004 471 R CA -0.473 55.484 56.100 -0.238 0.000 0.900 471 R CB 1.232 31.455 30.300 -0.128 0.000 1.152 471 R HN 0.749 nan 8.270 nan 0.000 0.513 472 c N 3.879 122.204 118.600 -0.458 0.000 2.369 472 c HA 0.461 5.032 4.570 0.001 0.000 0.358 472 c C 1.203 175.042 174.090 -0.419 0.000 1.274 472 c CA -0.216 55.715 56.329 -0.665 0.000 1.935 472 c CB 0.576 42.631 42.510 -0.757 0.000 2.431 472 c HN 0.913 nan 8.230 nan 0.000 0.545 473 S N 3.565 119.112 115.700 -0.256 0.000 2.749 473 S HA 0.628 5.098 4.470 0.001 0.000 0.246 473 S C 0.264 174.814 174.600 -0.082 0.000 1.023 473 S CA 0.204 58.323 58.200 -0.134 0.000 1.012 473 S CB -0.056 63.107 63.200 -0.062 0.000 0.942 473 S HN 2.018 nan 8.310 nan 0.000 0.531 474 G N 1.887 110.620 108.800 -0.112 0.000 2.328 474 G HA2 0.384 4.345 3.960 0.001 0.000 0.299 474 G HA3 0.384 4.345 3.960 0.001 0.000 0.299 474 G C -3.026 171.841 174.900 -0.055 0.000 1.435 474 G CA -0.547 44.528 45.100 -0.042 0.000 0.865 474 G HN -0.122 nan 8.290 nan 0.000 0.601 475 P HA 0.115 nan 4.420 nan 0.000 0.229 475 P C 1.293 178.608 177.300 0.025 0.000 1.160 475 P CA 1.369 64.488 63.100 0.031 0.000 0.777 475 P CB 0.371 32.087 31.700 0.027 0.000 0.814 476 G N 0.374 109.123 108.800 -0.085 0.000 2.535 476 G HA2 0.408 4.369 3.960 0.001 0.000 0.282 476 G HA3 0.408 4.369 3.960 0.001 0.000 0.282 476 G C -0.265 174.406 174.900 -0.382 0.000 1.350 476 G CA -0.752 44.220 45.100 -0.214 0.000 1.039 476 G HN 0.041 nan 8.290 nan 0.000 0.509 477 L N 1.093 122.010 121.223 -0.510 0.000 2.456 477 L HA 0.151 4.491 4.340 0.001 0.000 0.272 477 L C -1.845 174.877 176.870 -0.246 0.000 1.189 477 L CA -1.252 53.277 54.840 -0.519 0.000 0.846 477 L CB 0.568 42.380 42.059 -0.410 0.000 1.111 477 L HN 0.239 nan 8.230 nan 0.000 0.475 478 P HA -0.029 nan 4.420 nan 0.000 0.264 478 P C -0.946 176.292 177.300 -0.104 0.000 1.179 478 P CA 0.170 63.200 63.100 -0.118 0.000 0.763 478 P CB 0.465 32.194 31.700 0.047 0.000 0.806 479 L N 5.225 126.297 121.223 -0.252 0.000 2.439 479 L HA 0.477 4.818 4.340 0.001 0.000 0.270 479 L C -1.794 174.936 176.870 -0.235 0.000 0.972 479 L CA -0.670 54.090 54.840 -0.132 0.000 0.836 479 L CB 0.977 42.968 42.059 -0.115 0.000 1.255 479 L HN 0.211 nan 8.230 nan 0.000 0.404 480 Y N 2.698 122.953 120.300 -0.075 0.000 2.352 480 Y HA 0.785 5.335 4.550 0.001 0.000 0.339 480 Y C 0.507 176.306 175.900 -0.167 0.000 0.992 480 Y CA -0.511 57.528 58.100 -0.102 0.000 1.100 480 Y CB 2.134 40.502 38.460 -0.153 0.000 1.192 480 Y HN 0.682 nan 8.280 nan 0.000 0.458 481 T N 0.645 115.215 114.554 0.027 0.000 2.896 481 T HA 0.713 5.063 4.350 0.001 0.000 0.297 481 T C -1.594 173.043 174.700 -0.105 0.000 1.108 481 T CA -0.885 61.168 62.100 -0.077 0.000 1.004 481 T CB 2.018 70.889 68.868 0.006 0.000 1.159 481 T HN 0.377 nan 8.240 nan 0.000 0.499 482 L N 1.650 122.681 121.223 -0.320 0.000 2.346 482 L HA 0.621 4.962 4.340 0.001 0.000 0.276 482 L C -0.786 175.731 176.870 -0.589 0.000 1.006 482 L CA -0.331 54.355 54.840 -0.256 0.000 0.817 482 L CB 1.253 43.207 42.059 -0.174 0.000 1.272 482 L HN 0.829 nan 8.230 nan 0.000 0.421 483 H N 1.321 120.156 119.070 -0.392 0.000 2.865 483 H HA 0.584 5.141 4.556 0.001 0.000 0.372 483 H C -0.938 174.123 175.328 -0.445 0.000 1.173 483 H CA -0.835 54.873 56.048 -0.568 0.000 1.147 483 H CB 2.163 31.220 29.762 -1.175 0.000 1.805 483 H HN 0.566 nan 8.280 nan 0.000 0.553 484 S N 0.284 115.871 115.700 -0.188 0.000 2.454 484 S HA 0.227 4.698 4.470 0.001 0.000 0.306 484 S C 0.609 175.145 174.600 -0.106 0.000 1.100 484 S CA -0.665 57.424 58.200 -0.184 0.000 1.087 484 S CB 1.857 64.983 63.200 -0.124 0.000 1.019 484 S HN 0.566 nan 8.310 nan 0.000 0.480 485 S N 2.450 118.110 115.700 -0.066 0.000 2.383 485 S HA -0.111 4.359 4.470 0.001 0.000 0.227 485 S C 1.969 176.608 174.600 0.066 0.000 1.026 485 S CA 1.011 59.294 58.200 0.138 0.000 0.981 485 S CB -0.587 62.696 63.200 0.139 0.000 0.818 485 S HN 0.721 nan 8.310 nan 0.000 0.472 486 V N 2.747 122.651 119.914 -0.017 0.000 2.277 486 V HA -0.213 3.908 4.120 0.001 0.000 0.253 486 V C 0.944 177.048 176.094 0.016 0.000 1.067 486 V CA 1.974 64.276 62.300 0.005 0.000 1.047 486 V CB -0.314 31.493 31.823 -0.026 0.000 0.649 486 V HN 0.493 nan 8.190 nan 0.000 0.447 487 N N -1.012 117.690 118.700 0.003 0.000 2.194 487 N HA 0.124 4.864 4.740 0.001 0.000 0.231 487 N C -0.342 175.175 175.510 0.012 0.000 1.247 487 N CA 0.462 53.515 53.050 0.005 0.000 0.884 487 N CB 0.510 38.997 38.487 -0.000 0.000 1.146 487 N HN 0.483 nan 8.380 nan 0.000 0.516 488 D N 1.209 121.633 120.400 0.040 0.000 2.689 488 D HA -0.169 4.472 4.640 0.001 0.000 0.237 488 D C -0.122 176.206 176.300 0.047 0.000 1.148 488 D CA 1.112 55.163 54.000 0.084 0.000 0.656 488 D CB -0.816 40.022 40.800 0.064 0.000 1.050 488 D HN 0.369 nan 8.370 nan 0.000 0.426 489 K N -0.101 120.301 120.400 0.003 0.000 2.118 489 K HA 0.435 4.755 4.320 0.001 0.000 0.264 489 K C 1.036 177.598 176.600 -0.063 0.000 1.000 489 K CA -0.263 56.011 56.287 -0.021 0.000 0.929 489 K CB 1.129 33.607 32.500 -0.037 0.000 1.021 489 K HN 0.121 nan 8.250 nan 0.000 0.463 490 G N 2.949 111.692 108.800 -0.096 0.000 2.546 490 G HA2 0.191 4.152 3.960 0.001 0.000 0.320 490 G HA3 0.191 4.152 3.960 0.001 0.000 0.320 490 G C 0.896 175.644 174.900 -0.254 0.000 0.984 490 G CA -0.367 44.569 45.100 -0.273 0.000 1.183 490 G HN 0.529 nan 8.290 nan 0.000 0.443 491 L N 1.439 122.484 121.223 -0.297 0.000 1.961 491 L HA 0.129 4.470 4.340 0.001 0.000 0.210 491 L C 1.750 178.513 176.870 -0.178 0.000 1.072 491 L CA 1.257 55.987 54.840 -0.183 0.000 0.749 491 L CB -0.333 41.642 42.059 -0.140 0.000 0.889 491 L HN 0.683 nan 8.230 nan 0.000 0.432 492 R N -2.226 118.131 120.500 -0.238 0.000 2.741 492 R HA 0.426 4.766 4.340 0.001 0.000 0.276 492 R C -1.631 174.536 176.300 -0.222 0.000 1.028 492 R CA -0.924 55.062 56.100 -0.189 0.000 0.865 492 R CB 1.431 31.654 30.300 -0.129 0.000 1.268 492 R HN -0.257 nan 8.270 nan 0.000 0.475 493 V N 2.764 122.574 119.914 -0.172 0.000 2.406 493 V HA 0.181 4.301 4.120 0.001 0.000 0.272 493 V C 1.301 177.252 176.094 -0.239 0.000 1.043 493 V CA -0.365 61.832 62.300 -0.171 0.000 0.915 493 V CB 1.117 32.876 31.823 -0.107 0.000 0.988 493 V HN 0.623 nan 8.190 nan 0.000 0.466 494 L N 2.803 123.804 121.223 -0.370 0.000 2.202 494 L HA 0.287 4.628 4.340 0.001 0.000 0.205 494 L C 0.698 177.264 176.870 -0.506 0.000 1.083 494 L CA 0.676 55.090 54.840 -0.710 0.000 0.790 494 L CB 0.197 41.406 42.059 -1.417 0.000 0.942 494 L HN 0.681 nan 8.230 nan 0.000 0.452 495 E N -0.102 119.951 120.200 -0.245 0.000 2.406 495 E HA 0.080 4.431 4.350 0.001 0.000 0.297 495 E C -1.205 175.431 176.600 0.060 0.000 0.917 495 E CA -0.342 56.026 56.400 -0.054 0.000 0.795 495 E CB 1.013 30.686 29.700 -0.045 0.000 1.285 495 E HN 0.161 nan 8.360 nan 0.000 0.400 496 D N 2.944 123.363 120.400 0.031 0.000 2.433 496 D HA 0.161 4.801 4.640 0.001 0.000 0.211 496 D C -0.201 176.112 176.300 0.022 0.000 1.114 496 D CA -0.221 53.793 54.000 0.023 0.000 0.837 496 D CB 0.025 40.819 40.800 -0.011 0.000 0.984 496 D HN 0.440 nan 8.370 nan 0.000 0.505 497 N N 0.323 119.052 118.700 0.047 0.000 2.725 497 N HA -0.217 4.524 4.740 0.001 0.000 0.249 497 N C 0.897 176.414 175.510 0.011 0.000 1.103 497 N CA 0.959 54.032 53.050 0.039 0.000 0.707 497 N CB -1.399 37.106 38.487 0.029 0.000 1.043 497 N HN 0.496 nan 8.380 nan 0.000 0.553 498 S N -1.420 114.287 115.700 0.010 0.000 2.447 498 S HA 0.031 4.501 4.470 0.001 0.000 0.233 498 S C 2.034 176.645 174.600 0.018 0.000 1.006 498 S CA 0.820 59.022 58.200 0.003 0.000 0.957 498 S CB 0.042 63.244 63.200 0.003 0.000 0.773 498 S HN 0.500 nan 8.310 nan 0.000 0.507 499 A N 2.022 124.863 122.820 0.035 0.000 1.873 499 A HA 0.139 4.460 4.320 0.001 0.000 0.215 499 A C 2.185 179.809 177.584 0.066 0.000 1.186 499 A CA 1.416 53.484 52.037 0.051 0.000 0.616 499 A CB -0.899 18.137 19.000 0.060 0.000 0.823 499 A HN 0.510 nan 8.150 nan 0.000 0.442 500 L N 0.508 121.774 121.223 0.070 0.000 2.083 500 L HA -0.154 4.187 4.340 0.001 0.000 0.209 500 L C 1.898 178.791 176.870 0.038 0.000 1.083 500 L CA 2.784 57.679 54.840 0.091 0.000 0.752 500 L CB -0.742 41.372 42.059 0.092 0.000 0.899 500 L HN 0.521 nan 8.230 nan 0.000 0.433 501 D N -0.623 119.774 120.400 -0.005 0.000 2.117 501 D HA -0.276 4.364 4.640 0.001 0.000 0.197 501 D C 2.255 178.550 176.300 -0.007 0.000 0.987 501 D CA 1.530 55.508 54.000 -0.037 0.000 0.829 501 D CB -0.113 40.657 40.800 -0.051 0.000 0.961 501 D HN 0.355 nan 8.370 nan 0.000 0.460 502 K N -0.635 119.776 120.400 0.018 0.000 2.097 502 K HA -0.124 4.196 4.320 0.001 0.000 0.206 502 K C 2.104 178.735 176.600 0.051 0.000 1.049 502 K CA 0.989 57.295 56.287 0.030 0.000 0.933 502 K CB -0.049 32.473 32.500 0.037 0.000 0.717 502 K HN 0.247 nan 8.250 nan 0.000 0.442 503 M N 0.509 120.158 119.600 0.081 0.000 2.193 503 M HA -0.084 4.397 4.480 0.001 0.000 0.265 503 M C 2.002 178.338 176.300 0.060 0.000 1.071 503 M CA 1.164 56.546 55.300 0.137 0.000 1.140 503 M CB -0.088 32.675 32.600 0.272 0.000 1.369 503 M HN 0.108 nan 8.290 nan 0.000 0.423 504 L N 0.596 121.802 121.223 -0.028 0.000 2.265 504 L HA -0.217 4.123 4.340 0.001 0.000 0.215 504 L C 2.454 179.284 176.870 -0.066 0.000 1.117 504 L CA 1.108 55.869 54.840 -0.132 0.000 0.782 504 L CB -0.839 41.145 42.059 -0.124 0.000 0.914 504 L HN 0.507 nan 8.230 nan 0.000 0.441 505 Q N -1.271 118.517 119.800 -0.021 0.000 2.488 505 Q HA -0.100 4.241 4.340 0.001 0.000 0.211 505 Q C 1.150 177.160 176.000 0.016 0.000 0.967 505 Q CA 0.744 56.544 55.803 -0.005 0.000 0.926 505 Q CB -0.230 28.509 28.738 0.002 0.000 0.992 505 Q HN 0.378 nan 8.270 nan 0.000 0.506 506 N N 0.842 119.560 118.700 0.029 0.000 2.322 506 N HA 0.097 4.838 4.740 0.001 0.000 0.194 506 N C -0.851 174.697 175.510 0.064 0.000 1.126 506 N CA 0.147 53.232 53.050 0.057 0.000 0.845 506 N CB 1.420 39.959 38.487 0.087 0.000 0.976 506 N HN 0.175 nan 8.380 nan 0.000 0.475 507 V N 0.470 120.400 119.914 0.027 0.000 2.841 507 V HA 0.290 4.411 4.120 0.001 0.000 0.310 507 V C -1.051 175.052 176.094 0.015 0.000 1.090 507 V CA -0.798 61.524 62.300 0.037 0.000 0.930 507 V CB 2.224 34.053 31.823 0.010 0.000 1.014 507 V HN -0.027 nan 8.190 nan 0.000 0.425 508 Q N 6.351 126.174 119.800 0.037 0.000 2.513 508 Q HA 0.333 4.674 4.340 0.001 0.000 0.227 508 Q C -0.332 175.644 176.000 -0.039 0.000 1.257 508 Q CA -0.072 55.724 55.803 -0.012 0.000 0.915 508 Q CB 0.471 29.218 28.738 0.014 0.000 1.507 508 Q HN 0.609 nan 8.270 nan 0.000 0.543 509 M N 3.601 123.163 119.600 -0.064 0.000 2.255 509 M HA 0.356 4.837 4.480 0.001 0.000 0.336 509 M C -1.910 174.326 176.300 -0.108 0.000 1.135 509 M CA -2.219 53.035 55.300 -0.077 0.000 1.145 509 M CB 0.063 32.620 32.600 -0.071 0.000 1.473 509 M HN 0.316 nan 8.290 nan 0.000 0.462 510 P HA 0.276 nan 4.420 nan 0.000 0.277 510 P C -0.896 176.331 177.300 -0.122 0.000 1.271 510 P CA -0.347 62.672 63.100 -0.136 0.000 0.795 510 P CB 0.713 32.323 31.700 -0.149 0.000 1.101 511 S N -1.010 114.605 115.700 -0.141 0.000 2.689 511 S HA 0.653 5.124 4.470 0.001 0.000 0.306 511 S C -0.600 173.915 174.600 -0.143 0.000 1.104 511 S CA -0.805 57.324 58.200 -0.118 0.000 0.973 511 S CB 1.864 64.993 63.200 -0.117 0.000 1.121 511 S HN 0.525 nan 8.310 nan 0.000 0.523 512 K N 0.533 120.870 120.400 -0.105 0.000 2.397 512 K HA 0.430 4.751 4.320 0.001 0.000 0.253 512 K C -1.318 175.227 176.600 -0.092 0.000 0.932 512 K CA -0.549 55.678 56.287 -0.102 0.000 0.795 512 K CB 1.403 33.865 32.500 -0.064 0.000 1.159 512 K HN 0.719 nan 8.250 nan 0.000 0.424 513 K N 5.515 125.848 120.400 -0.113 0.000 2.307 513 K HA 0.304 4.625 4.320 0.001 0.000 0.263 513 K C -1.585 174.970 176.600 -0.076 0.000 0.973 513 K CA -0.819 55.408 56.287 -0.100 0.000 0.846 513 K CB 1.028 33.439 32.500 -0.149 0.000 1.100 513 K HN 0.511 nan 8.250 nan 0.000 0.438 514 L N 4.045 125.247 121.223 -0.034 0.000 2.313 514 L HA 0.558 4.899 4.340 0.001 0.000 0.283 514 L C -1.003 175.867 176.870 -0.001 0.000 1.013 514 L CA 0.265 55.115 54.840 0.018 0.000 0.816 514 L CB 1.402 43.537 42.059 0.127 0.000 1.236 514 L HN 0.875 nan 8.230 nan 0.000 0.419 515 D N 2.520 122.782 120.400 -0.229 0.000 2.970 515 D HA 0.452 5.093 4.640 0.001 0.000 0.344 515 D C -1.728 174.225 176.300 -0.578 0.000 1.365 515 D CA -0.004 53.764 54.000 -0.386 0.000 0.910 515 D CB 1.643 42.156 40.800 -0.477 0.000 1.445 515 D HN 0.274 nan 8.370 nan 0.000 0.532 516 F N 0.076 119.680 119.950 -0.576 0.000 2.662 516 F HA 0.713 5.241 4.527 0.001 0.000 0.312 516 F C -0.970 174.919 175.800 0.149 0.000 1.113 516 F CA -0.999 56.796 58.000 -0.341 0.000 0.951 516 F CB 0.926 39.275 39.000 -1.084 0.000 1.344 516 F HN 0.292 nan 8.300 nan 0.000 0.462 517 I N 0.035 120.895 120.570 0.483 0.000 2.957 517 I HA 0.724 4.894 4.170 0.001 0.000 0.310 517 I C -1.361 175.012 176.117 0.426 0.000 1.063 517 I CA -1.289 60.213 61.300 0.336 0.000 1.033 517 I CB 2.461 40.611 38.000 0.250 0.000 1.230 517 I HN 0.655 nan 8.210 nan 0.000 0.447 518 I N 3.384 124.130 120.570 0.292 0.000 2.493 518 I HA 0.471 4.642 4.170 0.001 0.000 0.298 518 I C -0.858 175.413 176.117 0.256 0.000 0.998 518 I CA -0.746 60.722 61.300 0.281 0.000 1.137 518 I CB 2.061 40.181 38.000 0.200 0.000 1.310 518 I HN 0.385 nan 8.210 nan 0.000 0.445 519 L N 5.671 127.094 121.223 0.333 0.000 2.457 519 L HA 0.360 4.700 4.340 0.001 0.000 0.266 519 L C -0.670 176.339 176.870 0.233 0.000 0.979 519 L CA -0.594 54.408 54.840 0.269 0.000 0.857 519 L CB 1.356 43.600 42.059 0.309 0.000 1.213 519 L HN 0.646 nan 8.230 nan 0.000 0.418 520 N N 2.549 121.322 118.700 0.122 0.000 2.681 520 N HA -0.208 4.533 4.740 0.001 0.000 0.259 520 N C 0.383 175.941 175.510 0.079 0.000 1.066 520 N CA 1.158 54.257 53.050 0.082 0.000 0.717 520 N CB -0.506 38.020 38.487 0.066 0.000 0.885 520 N HN 0.782 nan 8.380 nan 0.000 0.547 521 E N -3.325 116.916 120.200 0.068 0.000 3.562 521 E HA -0.250 4.100 4.350 0.001 0.000 0.298 521 E C -0.340 176.273 176.600 0.021 0.000 0.830 521 E CA 1.951 58.377 56.400 0.043 0.000 1.013 521 E CB -1.283 28.432 29.700 0.025 0.000 1.510 521 E HN 0.620 nan 8.360 nan 0.000 0.463 522 T N 0.682 115.260 114.554 0.040 0.000 2.823 522 T HA 0.441 4.791 4.350 0.001 0.000 0.279 522 T C -0.097 174.495 174.700 -0.180 0.000 0.998 522 T CA -0.917 61.120 62.100 -0.106 0.000 0.994 522 T CB 1.329 70.108 68.868 -0.149 0.000 0.960 522 T HN 0.187 nan 8.240 nan 0.000 0.448 523 K N 2.261 122.458 120.400 -0.338 0.000 2.156 523 K HA 0.606 4.927 4.320 0.001 0.000 0.271 523 K C -1.428 174.873 176.600 -0.499 0.000 0.995 523 K CA -0.572 55.553 56.287 -0.270 0.000 0.890 523 K CB 0.897 33.114 32.500 -0.472 0.000 1.073 523 K HN 0.379 nan 8.250 nan 0.000 0.454 524 F N 1.512 121.559 119.950 0.162 0.000 2.529 524 F HA 0.367 4.895 4.527 0.001 0.000 0.320 524 F C -0.813 175.130 175.800 0.238 0.000 1.118 524 F CA -0.756 57.354 58.000 0.182 0.000 0.915 524 F CB 1.244 40.348 39.000 0.173 0.000 1.161 524 F HN 0.527 nan 8.300 nan 0.000 0.445 525 W N 3.293 124.759 121.300 0.278 0.000 2.375 525 W HA 0.547 5.207 4.660 0.001 0.000 0.336 525 W C -0.661 176.091 176.519 0.388 0.000 1.160 525 W CA -0.676 56.855 57.345 0.309 0.000 1.266 525 W CB 0.660 30.216 29.460 0.159 0.000 1.195 525 W HN 0.444 nan 8.180 nan 0.000 0.599 526 Y N -0.564 120.087 120.300 0.585 0.000 2.655 526 Y HA 0.678 5.229 4.550 0.001 0.000 0.336 526 Y C -0.991 175.132 175.900 0.372 0.000 1.154 526 Y CA -1.855 56.575 58.100 0.550 0.000 1.055 526 Y CB 1.148 40.090 38.460 0.803 0.000 1.295 526 Y HN 0.561 nan 8.280 nan 0.000 0.465 527 Q N 1.875 121.915 119.800 0.401 0.000 2.421 527 Q HA 0.761 5.102 4.340 0.001 0.000 0.280 527 Q C -1.831 174.284 176.000 0.192 0.000 1.085 527 Q CA -1.193 54.715 55.803 0.174 0.000 0.807 527 Q CB 3.376 32.187 28.738 0.122 0.000 1.405 527 Q HN 0.861 nan 8.270 nan 0.000 0.419 528 M N 2.256 121.887 119.600 0.051 0.000 2.327 528 M HA 0.434 4.915 4.480 0.001 0.000 0.298 528 M C -1.296 174.929 176.300 -0.124 0.000 1.065 528 M CA -0.903 54.369 55.300 -0.047 0.000 0.916 528 M CB 2.234 34.763 32.600 -0.118 0.000 1.630 528 M HN 0.600 nan 8.290 nan 0.000 0.442 529 I N 5.213 125.708 120.570 -0.124 0.000 2.291 529 I HA 0.343 4.513 4.170 0.001 0.000 0.292 529 I C -0.382 175.593 176.117 -0.236 0.000 1.064 529 I CA -0.242 60.963 61.300 -0.158 0.000 1.269 529 I CB 0.198 38.125 38.000 -0.121 0.000 1.418 529 I HN 0.631 nan 8.210 nan 0.000 0.485 530 L N 8.383 129.414 121.223 -0.320 0.000 2.325 530 L HA 0.458 4.799 4.340 0.001 0.000 0.279 530 L C -2.172 174.517 176.870 -0.301 0.000 1.054 530 L CA -1.806 52.756 54.840 -0.463 0.000 0.804 530 L CB 0.949 42.543 42.059 -0.774 0.000 1.200 530 L HN 0.268 nan 8.230 nan 0.000 0.436 531 P HA 0.111 nan 4.420 nan 0.000 0.270 531 P C -2.495 174.753 177.300 -0.087 0.000 1.223 531 P CA -0.967 62.056 63.100 -0.129 0.000 0.785 531 P CB -0.139 31.528 31.700 -0.056 0.000 0.923 532 P HA -0.056 nan 4.420 nan 0.000 0.267 532 P C -0.298 176.899 177.300 -0.171 0.000 1.200 532 P CA 0.823 63.767 63.100 -0.261 0.000 0.772 532 P CB -0.216 31.291 31.700 -0.322 0.000 0.855 533 H N -0.883 118.222 119.070 0.058 0.000 2.741 533 H HA -0.210 4.346 4.556 0.001 0.000 0.305 533 H C 0.134 175.515 175.328 0.089 0.000 1.169 533 H CA -0.075 56.010 56.048 0.061 0.000 1.144 533 H CB -2.322 27.470 29.762 0.050 0.000 1.397 533 H HN 0.384 nan 8.280 nan 0.000 0.409 534 F N 2.462 122.400 119.950 -0.021 0.000 2.604 534 F HA 0.066 4.593 4.527 0.001 0.000 0.393 534 F C 0.606 176.417 175.800 0.019 0.000 1.043 534 F CA 0.121 58.061 58.000 -0.099 0.000 1.227 534 F CB 0.474 39.314 39.000 -0.267 0.000 1.016 534 F HN 0.179 nan 8.300 nan 0.000 0.556 535 D N 6.524 126.588 120.400 -0.561 0.000 2.454 535 D HA 0.124 4.764 4.640 0.001 0.000 0.247 535 D C 0.444 176.374 176.300 -0.617 0.000 1.129 535 D CA -0.525 53.218 54.000 -0.427 0.000 0.877 535 D CB 0.864 41.594 40.800 -0.116 0.000 1.082 535 D HN 0.682 nan 8.370 nan 0.000 0.537 536 K N 0.926 120.897 120.400 -0.716 0.000 2.585 536 K HA -0.069 4.252 4.320 0.001 0.000 0.194 536 K C 1.075 177.655 176.600 -0.033 0.000 1.037 536 K CA 0.526 56.608 56.287 -0.341 0.000 0.964 536 K CB -0.126 32.316 32.500 -0.097 0.000 0.787 536 K HN 0.194 nan 8.250 nan 0.000 0.488 537 S N -0.095 115.554 115.700 -0.085 0.000 2.503 537 S HA 0.095 4.565 4.470 0.001 0.000 0.217 537 S C 0.475 175.045 174.600 -0.049 0.000 0.999 537 S CA -0.410 57.767 58.200 -0.039 0.000 0.914 537 S CB 0.116 63.285 63.200 -0.053 0.000 0.782 537 S HN 0.189 nan 8.310 nan 0.000 0.520 538 K N 0.952 121.302 120.400 -0.083 0.000 2.132 538 K HA 0.474 4.795 4.320 0.001 0.000 0.241 538 K C -0.669 175.863 176.600 -0.114 0.000 1.000 538 K CA -0.853 55.331 56.287 -0.172 0.000 0.911 538 K CB 0.593 32.873 32.500 -0.366 0.000 1.093 538 K HN -0.057 nan 8.250 nan 0.000 0.460 539 K N 1.930 122.205 120.400 -0.209 0.000 2.265 539 K HA 0.308 4.628 4.320 0.001 0.000 0.267 539 K C -1.045 175.426 176.600 -0.214 0.000 0.994 539 K CA -0.382 55.850 56.287 -0.092 0.000 0.860 539 K CB 0.891 33.338 32.500 -0.088 0.000 1.099 539 K HN 0.466 nan 8.250 nan 0.000 0.448 540 Y N 2.740 123.071 120.300 0.052 0.000 2.446 540 Y HA 0.318 4.869 4.550 0.001 0.000 0.338 540 Y C -1.783 174.057 175.900 -0.100 0.000 1.055 540 Y CA -2.190 55.917 58.100 0.011 0.000 1.101 540 Y CB 1.473 40.010 38.460 0.128 0.000 1.221 540 Y HN 0.440 nan 8.280 nan 0.000 0.460 541 P HA 0.176 nan 4.420 nan 0.000 0.274 541 P C -1.196 175.964 177.300 -0.232 0.000 1.237 541 P CA -0.226 62.581 63.100 -0.489 0.000 0.793 541 P CB 1.709 32.718 31.700 -1.151 0.000 0.977 542 L N 2.354 123.482 121.223 -0.158 0.000 2.410 542 L HA 0.522 4.862 4.340 0.001 0.000 0.270 542 L C -1.295 175.767 176.870 0.319 0.000 0.983 542 L CA -1.099 53.798 54.840 0.096 0.000 0.822 542 L CB 1.778 43.897 42.059 0.099 0.000 1.285 542 L HN 0.151 nan 8.230 nan 0.000 0.409 543 L N 5.474 126.893 121.223 0.328 0.000 2.305 543 L HA 0.516 4.856 4.340 0.001 0.000 0.284 543 L C -1.289 175.804 176.870 0.372 0.000 1.013 543 L CA -0.348 54.733 54.840 0.401 0.000 0.819 543 L CB 1.556 43.808 42.059 0.321 0.000 1.227 543 L HN 0.634 nan 8.230 nan 0.000 0.417 544 L N 5.262 126.744 121.223 0.431 0.000 2.268 544 L HA 0.392 4.733 4.340 0.001 0.000 0.289 544 L C -0.544 176.542 176.870 0.358 0.000 1.064 544 L CA 0.093 55.169 54.840 0.393 0.000 0.824 544 L CB 0.471 42.789 42.059 0.431 0.000 1.202 544 L HN 0.629 nan 8.230 nan 0.000 0.433 545 D N 4.328 124.922 120.400 0.322 0.000 2.339 545 D HA 0.238 4.879 4.640 0.001 0.000 0.241 545 D C -0.902 175.464 176.300 0.109 0.000 1.183 545 D CA 0.146 54.251 54.000 0.175 0.000 0.859 545 D CB 1.181 42.152 40.800 0.285 0.000 1.067 545 D HN 0.320 nan 8.370 nan 0.000 0.484 546 V N 5.287 125.201 119.914 -0.000 0.000 2.914 546 V HA 0.479 4.600 4.120 0.001 0.000 0.314 546 V C -1.014 175.157 176.094 0.129 0.000 1.084 546 V CA -0.458 61.907 62.300 0.109 0.000 0.963 546 V CB 1.887 33.784 31.823 0.123 0.000 1.025 546 V HN 0.670 nan 8.190 nan 0.000 0.432 547 Y N 4.725 125.092 120.300 0.111 0.000 3.105 547 Y HA 0.547 5.098 4.550 0.001 0.000 0.216 547 Y C 1.593 177.630 175.900 0.227 0.000 0.943 547 Y CA 1.250 59.446 58.100 0.159 0.000 1.535 547 Y CB 0.286 38.819 38.460 0.121 0.000 1.475 547 Y HN 1.120 nan 8.280 nan 0.000 0.435 548 A N 0.963 123.923 122.820 0.233 0.000 2.861 548 A HA -0.186 4.135 4.320 0.001 0.000 0.261 548 A C 0.951 178.406 177.584 -0.216 0.000 1.351 548 A CA 0.989 53.090 52.037 0.107 0.000 0.904 548 A CB -2.487 16.620 19.000 0.177 0.000 1.076 548 A HN 0.919 nan 8.150 nan 0.000 0.729 549 G N -0.530 107.932 108.800 -0.564 0.000 2.651 549 G HA2 0.490 4.450 3.960 0.001 0.000 0.260 549 G HA3 0.490 4.450 3.960 0.001 0.000 0.260 549 G C -1.919 172.685 174.900 -0.494 0.000 1.216 549 G CA -0.594 43.720 45.100 -1.310 0.000 0.913 549 G HN 0.406 nan 8.290 nan 0.000 0.535 550 P HA 0.057 nan 4.420 nan 0.000 0.267 550 P C 0.534 177.719 177.300 -0.191 0.000 1.209 550 P CA 0.193 63.046 63.100 -0.412 0.000 0.763 550 P CB 0.832 31.949 31.700 -0.971 0.000 0.816 551 C N 2.332 121.576 119.300 -0.094 0.000 4.456 551 C HA -0.137 4.324 4.460 0.001 0.000 0.288 551 C C 0.995 176.026 174.990 0.069 0.000 1.374 551 C CA 1.120 60.062 59.018 -0.127 0.000 1.956 551 C CB -2.637 24.900 27.740 -0.339 0.000 1.255 551 C HN 0.819 nan 8.230 nan 0.000 0.788 552 S N -0.016 115.773 115.700 0.148 0.000 2.693 552 S HA 0.656 5.127 4.470 0.001 0.000 0.276 552 S C -0.663 174.098 174.600 0.269 0.000 1.192 552 S CA 0.053 58.412 58.200 0.264 0.000 0.994 552 S CB 1.751 65.164 63.200 0.354 0.000 1.012 552 S HN 0.853 nan 8.310 nan 0.000 0.550 553 Q N -0.051 119.918 119.800 0.283 0.000 2.334 553 Q HA 0.355 4.696 4.340 0.001 0.000 0.249 553 Q C -0.832 175.279 176.000 0.186 0.000 0.909 553 Q CA -0.567 55.394 55.803 0.262 0.000 0.823 553 Q CB 1.055 29.993 28.738 0.333 0.000 1.353 553 Q HN 0.695 nan 8.270 nan 0.000 0.433 554 K N 1.123 121.634 120.400 0.186 0.000 2.358 554 K HA 0.340 4.661 4.320 0.001 0.000 0.200 554 K C -0.442 176.255 176.600 0.163 0.000 1.030 554 K CA 0.277 56.663 56.287 0.166 0.000 1.097 554 K CB 1.567 34.192 32.500 0.208 0.000 0.862 554 K HN 0.492 nan 8.250 nan 0.000 0.534 555 A N 2.716 125.642 122.820 0.177 0.000 2.316 555 A HA 0.432 4.752 4.320 0.001 0.000 0.324 555 A C -0.844 176.807 177.584 0.111 0.000 1.375 555 A CA -0.556 51.590 52.037 0.181 0.000 0.882 555 A CB 0.157 19.327 19.000 0.284 0.000 1.152 555 A HN 0.229 nan 8.150 nan 0.000 0.512 556 D N -0.131 120.303 120.400 0.057 0.000 2.752 556 D HA 0.440 5.081 4.640 0.001 0.000 0.313 556 D C 0.410 176.702 176.300 -0.015 0.000 1.225 556 D CA 0.253 54.265 54.000 0.020 0.000 0.976 556 D CB 0.359 41.152 40.800 -0.011 0.000 1.443 556 D HN 0.152 nan 8.370 nan 0.000 0.515 557 T N -2.324 112.227 114.554 -0.005 0.000 3.206 557 T HA 0.313 4.664 4.350 0.001 0.000 0.253 557 T C 0.366 175.009 174.700 -0.095 0.000 1.042 557 T CA -0.402 61.694 62.100 -0.006 0.000 0.931 557 T CB -0.704 68.207 68.868 0.072 0.000 1.029 557 T HN 0.261 nan 8.240 nan 0.000 0.564 558 V N 2.640 122.395 119.914 -0.264 0.000 2.555 558 V HA 0.327 4.448 4.120 0.001 0.000 0.286 558 V C 0.108 176.131 176.094 -0.119 0.000 1.044 558 V CA -0.991 61.126 62.300 -0.304 0.000 1.026 558 V CB 0.059 31.570 31.823 -0.519 0.000 0.981 558 V HN 0.566 nan 8.190 nan 0.000 0.480 559 F N 6.671 126.520 119.950 -0.167 0.000 2.438 559 F HA 0.550 5.078 4.527 0.001 0.000 0.356 559 F C 0.524 176.264 175.800 -0.100 0.000 1.099 559 F CA -0.159 57.769 58.000 -0.120 0.000 1.185 559 F CB 0.244 39.182 39.000 -0.103 0.000 1.115 559 F HN 0.443 nan 8.300 nan 0.000 0.526 560 R N 6.554 126.532 120.500 -0.870 0.000 2.725 560 R HA 0.546 4.887 4.340 0.001 0.000 0.277 560 R C -1.672 174.199 176.300 -0.715 0.000 0.987 560 R CA -1.096 54.652 56.100 -0.586 0.000 0.901 560 R CB 2.134 32.261 30.300 -0.288 0.000 1.207 560 R HN 0.651 nan 8.270 nan 0.000 0.463 561 L N 3.899 124.894 121.223 -0.380 0.000 2.337 561 L HA 0.392 4.733 4.340 0.001 0.000 0.269 561 L C -0.745 176.099 176.870 -0.043 0.000 1.018 561 L CA -0.638 54.037 54.840 -0.275 0.000 0.876 561 L CB 0.588 42.631 42.059 -0.027 0.000 1.236 561 L HN 0.774 nan 8.230 nan 0.000 0.436 562 N N 0.122 118.709 118.700 -0.188 0.000 3.387 562 N HA 0.175 4.916 4.740 0.001 0.000 0.322 562 N C 0.198 175.348 175.510 -0.601 0.000 1.588 562 N CA -0.878 51.934 53.050 -0.397 0.000 0.778 562 N CB 0.173 38.571 38.487 -0.150 0.000 1.883 562 N HN 0.262 nan 8.380 nan 0.000 0.628 563 W N 0.577 121.290 121.300 -0.979 0.000 2.342 563 W HA 0.125 4.785 4.660 0.001 0.000 0.297 563 W C 2.055 178.532 176.519 -0.069 0.000 1.213 563 W CA 2.816 59.848 57.345 -0.522 0.000 1.251 563 W CB -1.011 28.268 29.460 -0.302 0.000 1.136 563 W HN 0.704 nan 8.180 nan 0.000 0.526 564 A N -0.515 122.301 122.820 -0.007 0.000 1.940 564 A HA -0.223 4.098 4.320 0.001 0.000 0.219 564 A C 1.958 179.451 177.584 -0.150 0.000 1.176 564 A CA 2.585 54.558 52.037 -0.107 0.000 0.631 564 A CB -1.324 17.681 19.000 0.008 0.000 0.814 564 A HN 0.294 nan 8.150 nan 0.000 0.446 565 T N -1.141 113.332 114.554 -0.135 0.000 2.684 565 T HA -0.232 4.119 4.350 0.001 0.000 0.267 565 T C 1.811 176.535 174.700 0.040 0.000 1.036 565 T CA 1.840 63.839 62.100 -0.167 0.000 1.148 565 T CB -0.502 68.093 68.868 -0.456 0.000 0.863 565 T HN 0.704 nan 8.240 nan 0.000 0.436 566 Y N 1.915 122.299 120.300 0.140 0.000 2.200 566 Y HA 0.027 4.578 4.550 0.001 0.000 0.290 566 Y C 1.937 177.834 175.900 -0.005 0.000 1.137 566 Y CA 0.827 59.043 58.100 0.194 0.000 1.163 566 Y CB -0.707 37.866 38.460 0.188 0.000 0.988 566 Y HN 0.123 nan 8.280 nan 0.000 0.518 567 L N 0.158 120.956 121.223 -0.709 0.000 2.083 567 L HA -0.188 4.153 4.340 0.001 0.000 0.209 567 L C 2.759 179.382 176.870 -0.412 0.000 1.083 567 L CA 1.325 55.694 54.840 -0.785 0.000 0.752 567 L CB -0.869 40.787 42.059 -0.672 0.000 0.899 567 L HN 0.420 nan 8.230 nan 0.000 0.433 568 A N -1.468 121.194 122.820 -0.263 0.000 1.935 568 A HA -0.126 4.195 4.320 0.001 0.000 0.214 568 A C 2.485 180.002 177.584 -0.112 0.000 1.178 568 A CA 1.410 53.349 52.037 -0.163 0.000 0.640 568 A CB -0.393 18.512 19.000 -0.159 0.000 0.825 568 A HN 0.305 nan 8.150 nan 0.000 0.447 569 S N -0.907 114.742 115.700 -0.085 0.000 2.355 569 S HA -0.109 4.362 4.470 0.001 0.000 0.222 569 S C 1.983 176.593 174.600 0.017 0.000 1.031 569 S CA 2.257 60.453 58.200 -0.005 0.000 0.993 569 S CB -0.351 62.905 63.200 0.094 0.000 0.859 569 S HN 0.551 nan 8.310 nan 0.000 0.453 570 T N 1.249 115.790 114.554 -0.022 0.000 2.983 570 T HA 0.178 4.529 4.350 0.001 0.000 0.250 570 T C 1.358 176.030 174.700 -0.046 0.000 1.037 570 T CA 0.565 62.670 62.100 0.009 0.000 1.142 570 T CB -0.069 68.876 68.868 0.128 0.000 0.876 570 T HN 0.324 nan 8.240 nan 0.000 0.455 571 E N 1.155 121.244 120.200 -0.184 0.000 2.474 571 E HA 0.174 4.525 4.350 0.001 0.000 0.195 571 E C 0.031 176.624 176.600 -0.011 0.000 1.039 571 E CA -0.055 56.285 56.400 -0.099 0.000 0.881 571 E CB -0.192 29.396 29.700 -0.185 0.000 0.970 571 E HN 0.518 nan 8.360 nan 0.000 0.486 572 N N 0.512 119.212 118.700 -0.000 0.000 2.747 572 N HA -0.186 4.554 4.740 0.001 0.000 0.249 572 N C -0.751 174.843 175.510 0.139 0.000 1.107 572 N CA 0.270 53.387 53.050 0.111 0.000 0.707 572 N CB -1.305 37.301 38.487 0.199 0.000 1.054 572 N HN 0.200 nan 8.380 nan 0.000 0.555 573 I N 0.924 121.508 120.570 0.023 0.000 2.385 573 I HA 0.314 4.484 4.170 0.001 0.000 0.294 573 I C 0.654 176.761 176.117 -0.016 0.000 0.988 573 I CA -0.703 60.622 61.300 0.042 0.000 1.265 573 I CB 1.127 39.165 38.000 0.063 0.000 1.388 573 I HN 0.031 nan 8.210 nan 0.000 0.480 574 I N 6.412 126.985 120.570 0.004 0.000 2.371 574 I HA 0.177 4.347 4.170 0.001 0.000 0.290 574 I C -0.450 175.666 176.117 -0.002 0.000 1.028 574 I CA -0.449 60.814 61.300 -0.061 0.000 1.345 574 I CB 1.058 39.026 38.000 -0.053 0.000 1.407 574 I HN 0.195 nan 8.210 nan 0.000 0.501 575 V N 6.684 126.582 119.914 -0.027 0.000 2.347 575 V HA 0.627 4.748 4.120 0.001 0.000 0.280 575 V C 0.335 176.461 176.094 0.054 0.000 1.021 575 V CA -0.440 61.891 62.300 0.052 0.000 0.847 575 V CB 1.126 32.975 31.823 0.044 0.000 0.990 575 V HN 0.835 nan 8.190 nan 0.000 0.444 576 A N 3.985 126.870 122.820 0.108 0.000 2.356 576 A HA 0.947 5.268 4.320 0.001 0.000 0.323 576 A C -0.196 177.542 177.584 0.257 0.000 1.119 576 A CA -0.520 51.584 52.037 0.112 0.000 0.790 576 A CB 1.757 20.711 19.000 -0.078 0.000 1.273 576 A HN 0.682 nan 8.150 nan 0.000 0.452 577 S N -0.191 115.706 115.700 0.328 0.000 2.549 577 S HA 0.749 5.220 4.470 0.001 0.000 0.280 577 S C -1.497 173.449 174.600 0.577 0.000 1.109 577 S CA -0.298 58.135 58.200 0.389 0.000 0.905 577 S CB 1.309 64.678 63.200 0.282 0.000 1.081 577 S HN 0.766 nan 8.310 nan 0.000 0.477 578 F N 1.808 121.986 119.950 0.380 0.000 2.569 578 F HA 0.496 5.024 4.527 0.001 0.000 0.312 578 F C -1.531 174.473 175.800 0.340 0.000 1.109 578 F CA -0.785 57.467 58.000 0.421 0.000 0.919 578 F CB 1.559 40.785 39.000 0.375 0.000 1.211 578 F HN 0.391 nan 8.300 nan 0.000 0.446 579 D N 4.480 124.659 120.400 -0.368 0.000 2.473 579 D HA 0.363 5.003 4.640 0.001 0.000 0.226 579 D C 0.357 176.353 176.300 -0.507 0.000 1.089 579 D CA 0.091 53.954 54.000 -0.228 0.000 0.883 579 D CB 1.419 42.251 40.800 0.054 0.000 1.029 579 D HN 0.763 nan 8.370 nan 0.000 0.517 580 G N 1.161 109.744 108.800 -0.362 0.000 2.641 580 G HA2 0.286 4.246 3.960 0.001 0.000 0.239 580 G HA3 0.286 4.246 3.960 0.001 0.000 0.239 580 G C 0.153 175.041 174.900 -0.020 0.000 1.402 580 G CA -0.731 44.190 45.100 -0.298 0.000 1.046 580 G HN 0.281 nan 8.290 nan 0.000 0.565 581 R N -0.683 119.770 120.500 -0.078 0.000 2.585 581 R HA 0.359 4.700 4.340 0.001 0.000 0.275 581 R C 1.237 177.620 176.300 0.138 0.000 1.018 581 R CA 1.517 57.685 56.100 0.114 0.000 1.072 581 R CB 0.431 30.776 30.300 0.074 0.000 0.953 581 R HN 1.038 nan 8.270 nan 0.000 0.419 582 G N 1.135 110.018 108.800 0.139 0.000 2.279 582 G HA2 -0.325 3.636 3.960 0.001 0.000 0.223 582 G HA3 -0.325 3.636 3.960 0.001 0.000 0.223 582 G C 0.160 175.091 174.900 0.050 0.000 1.015 582 G CA 0.069 45.228 45.100 0.098 0.000 0.621 582 G HN 0.734 nan 8.290 nan 0.000 0.506 583 S N 0.563 116.307 115.700 0.072 0.000 2.589 583 S HA 0.618 5.089 4.470 0.001 0.000 0.265 583 S C 0.870 175.465 174.600 -0.009 0.000 1.342 583 S CA 0.634 58.872 58.200 0.062 0.000 1.005 583 S CB 1.647 64.915 63.200 0.112 0.000 0.909 583 S HN 1.722 nan 8.310 nan 0.000 0.555 584 G N -0.875 107.883 108.800 -0.069 0.000 2.705 584 G HA2 0.510 4.471 3.960 0.001 0.000 0.299 584 G HA3 0.510 4.471 3.960 0.001 0.000 0.299 584 G C -0.969 173.776 174.900 -0.259 0.000 1.315 584 G CA -1.022 43.870 45.100 -0.348 0.000 1.045 584 G HN 0.953 nan 8.290 nan 0.000 0.517 585 Y N -2.359 117.941 120.300 -0.001 0.000 4.668 585 Y HA -0.219 4.332 4.550 0.001 0.000 0.234 585 Y C 1.451 177.351 175.900 -0.000 0.000 1.056 585 Y CA 1.107 59.211 58.100 0.007 0.000 2.025 585 Y CB -2.131 36.353 38.460 0.039 0.000 1.613 585 Y HN 0.539 nan 8.280 nan 0.000 0.653 586 Q N -0.086 119.709 119.800 -0.008 0.000 2.118 586 Q HA 0.514 4.855 4.340 0.001 0.000 0.219 586 Q C 0.934 176.772 176.000 -0.271 0.000 0.794 586 Q CA 0.241 56.040 55.803 -0.007 0.000 1.035 586 Q CB 1.776 30.521 28.738 0.012 0.000 1.177 586 Q HN 0.575 nan 8.270 nan 0.000 0.478 587 G N 0.737 109.248 108.800 -0.482 0.000 2.629 587 G HA2 -0.167 3.794 3.960 0.001 0.000 0.686 587 G HA3 -0.167 3.794 3.960 0.001 0.000 0.686 587 G C -0.587 173.929 174.900 -0.641 0.000 1.232 587 G CA -0.593 43.958 45.100 -0.915 0.000 0.803 587 G HN 0.070 nan 8.290 nan 0.000 0.638 588 D N 0.067 120.057 120.400 -0.683 0.000 2.219 588 D HA -0.053 4.588 4.640 0.001 0.000 0.205 588 D C 2.253 178.291 176.300 -0.437 0.000 0.970 588 D CA 1.364 54.922 54.000 -0.735 0.000 0.851 588 D CB 0.081 40.401 40.800 -0.800 0.000 0.943 588 D HN 0.474 nan 8.370 nan 0.000 0.488 589 K N 0.873 121.074 120.400 -0.331 0.000 2.097 589 K HA -0.053 4.268 4.320 0.001 0.000 0.206 589 K C 1.826 178.369 176.600 -0.095 0.000 1.049 589 K CA 0.926 57.114 56.287 -0.166 0.000 0.933 589 K CB -0.294 32.122 32.500 -0.140 0.000 0.717 589 K HN 0.168 nan 8.250 nan 0.000 0.442 590 I N -0.597 119.895 120.570 -0.129 0.000 2.385 590 I HA -0.093 4.077 4.170 0.001 0.000 0.244 590 I C 2.480 178.596 176.117 -0.002 0.000 1.089 590 I CA 0.815 62.112 61.300 -0.003 0.000 1.410 590 I CB -0.178 37.826 38.000 0.007 0.000 1.117 590 I HN 0.204 nan 8.210 nan 0.000 0.429 591 M N 0.254 119.778 119.600 -0.126 0.000 2.108 591 M HA -0.263 4.218 4.480 0.001 0.000 0.261 591 M C 1.911 178.247 176.300 0.060 0.000 1.066 591 M CA 2.054 57.303 55.300 -0.086 0.000 1.107 591 M CB -0.348 32.100 32.600 -0.254 0.000 1.356 591 M HN 0.280 nan 8.290 nan 0.000 0.406 592 H N -0.857 118.115 119.070 -0.163 0.000 2.547 592 H HA 0.159 4.715 4.556 0.001 0.000 0.266 592 H C 1.875 177.221 175.328 0.029 0.000 0.988 592 H CA 0.108 56.062 56.048 -0.156 0.000 1.147 592 H CB 0.158 29.734 29.762 -0.309 0.000 1.365 592 H HN 0.533 nan 8.280 nan 0.000 0.589 593 A N 1.578 124.511 122.820 0.188 0.000 2.024 593 A HA -0.149 4.172 4.320 0.001 0.000 0.220 593 A C 2.044 179.836 177.584 0.348 0.000 1.164 593 A CA 1.210 53.394 52.037 0.245 0.000 0.643 593 A CB -0.663 18.462 19.000 0.208 0.000 0.806 593 A HN 0.585 nan 8.150 nan 0.000 0.451 594 I N -3.018 117.713 120.570 0.269 0.000 3.891 594 I HA 0.159 4.330 4.170 0.001 0.000 0.331 594 I C 0.358 176.538 176.117 0.104 0.000 1.406 594 I CA -0.510 60.884 61.300 0.156 0.000 1.139 594 I CB -0.550 37.519 38.000 0.115 0.000 1.056 594 I HN 0.206 nan 8.210 nan 0.000 0.399 595 N N 3.106 121.915 118.700 0.182 0.000 2.411 595 N HA -0.074 4.666 4.740 0.001 0.000 0.261 595 N C 0.247 175.769 175.510 0.020 0.000 1.248 595 N CA 0.344 53.505 53.050 0.184 0.000 0.885 595 N CB 0.378 38.936 38.487 0.118 0.000 1.062 595 N HN 0.431 nan 8.380 nan 0.000 0.471 596 R N 0.741 121.235 120.500 -0.010 0.000 4.000 596 R HA -0.198 4.143 4.340 0.001 0.000 0.348 596 R C -0.282 175.884 176.300 -0.224 0.000 1.204 596 R CA 0.877 56.928 56.100 -0.083 0.000 0.987 596 R CB -0.885 29.385 30.300 -0.049 0.000 1.446 596 R HN 0.580 nan 8.270 nan 0.000 0.555 597 R N 0.517 120.861 120.500 -0.260 0.000 2.688 597 R HA 0.339 4.679 4.340 0.001 0.000 0.396 597 R C -0.439 175.761 176.300 -0.166 0.000 1.081 597 R CA -0.198 55.590 56.100 -0.522 0.000 1.093 597 R CB 0.580 30.566 30.300 -0.523 0.000 1.338 597 R HN 0.070 nan 8.270 nan 0.000 0.613 598 L N -0.374 120.851 121.223 0.004 0.000 2.483 598 L HA 0.212 4.552 4.340 0.001 0.000 0.275 598 L C 1.292 178.393 176.870 0.386 0.000 1.220 598 L CA 0.970 55.868 54.840 0.097 0.000 0.833 598 L CB 0.478 42.384 42.059 -0.256 0.000 1.102 598 L HN 0.688 nan 8.230 nan 0.000 0.490 599 G N 0.774 109.840 108.800 0.444 0.000 2.147 599 G HA2 -0.288 3.673 3.960 0.001 0.000 0.244 599 G HA3 -0.288 3.673 3.960 0.001 0.000 0.244 599 G C 0.463 175.459 174.900 0.161 0.000 1.005 599 G CA 0.593 45.914 45.100 0.369 0.000 0.713 599 G HN 0.856 nan 8.290 nan 0.000 0.515 600 T N -3.661 110.941 114.554 0.081 0.000 3.409 600 T HA 0.452 4.803 4.350 0.001 0.000 0.188 600 T C 1.676 176.398 174.700 0.036 0.000 0.929 600 T CA 0.958 63.024 62.100 -0.058 0.000 1.184 600 T CB -0.041 68.602 68.868 -0.376 0.000 1.570 600 T HN 0.140 nan 8.240 nan 0.000 0.367 601 F N 3.484 123.468 119.950 0.058 0.000 2.171 601 F HA 0.121 4.648 4.527 0.001 0.000 0.300 601 F C 2.772 178.600 175.800 0.045 0.000 1.090 601 F CA 1.001 59.023 58.000 0.036 0.000 1.293 601 F CB -0.724 38.292 39.000 0.026 0.000 1.013 601 F HN 0.498 nan 8.300 nan 0.000 0.486 602 E N 0.663 121.017 120.200 0.257 0.000 2.204 602 E HA -0.107 4.243 4.350 0.001 0.000 0.194 602 E C 2.066 178.772 176.600 0.177 0.000 0.989 602 E CA 1.269 57.791 56.400 0.203 0.000 0.824 602 E CB -0.973 28.847 29.700 0.200 0.000 0.756 602 E HN 0.298 nan 8.360 nan 0.000 0.477 603 V N 1.614 121.614 119.914 0.143 0.000 2.346 603 V HA -0.173 3.948 4.120 0.001 0.000 0.244 603 V C 2.321 178.457 176.094 0.071 0.000 1.037 603 V CA 1.908 64.249 62.300 0.068 0.000 1.029 603 V CB -0.509 31.309 31.823 -0.007 0.000 0.663 603 V HN 0.191 nan 8.190 nan 0.000 0.454 604 E N 0.192 120.451 120.200 0.098 0.000 2.085 604 E HA -0.257 4.094 4.350 0.001 0.000 0.194 604 E C 1.918 178.549 176.600 0.052 0.000 0.994 604 E CA 1.601 58.052 56.400 0.085 0.000 0.801 604 E CB -0.188 29.598 29.700 0.143 0.000 0.743 604 E HN 0.566 nan 8.360 nan 0.000 0.453 605 D N 0.295 120.740 120.400 0.075 0.000 2.178 605 D HA -0.136 4.505 4.640 0.001 0.000 0.201 605 D C 2.007 178.322 176.300 0.025 0.000 0.980 605 D CA 0.755 54.780 54.000 0.042 0.000 0.842 605 D CB -0.116 40.737 40.800 0.089 0.000 0.948 605 D HN 0.111 nan 8.370 nan 0.000 0.472 606 Q N 0.190 120.059 119.800 0.115 0.000 2.084 606 Q HA -0.065 4.276 4.340 0.001 0.000 0.202 606 Q C 2.576 178.602 176.000 0.043 0.000 0.978 606 Q CA 0.600 56.471 55.803 0.113 0.000 0.844 606 Q CB -0.206 28.617 28.738 0.142 0.000 0.898 606 Q HN 0.431 nan 8.270 nan 0.000 0.426 607 I N 0.804 121.416 120.570 0.070 0.000 2.226 607 I HA -0.234 3.937 4.170 0.001 0.000 0.245 607 I C 2.410 178.483 176.117 -0.073 0.000 1.100 607 I CA 0.932 62.305 61.300 0.122 0.000 1.374 607 I CB -0.218 37.847 38.000 0.108 0.000 1.057 607 I HN 0.115 nan 8.210 nan 0.000 0.413 608 E N 1.130 121.233 120.200 -0.162 0.000 2.051 608 E HA -0.207 4.144 4.350 0.001 0.000 0.192 608 E C 2.302 178.605 176.600 -0.494 0.000 0.991 608 E CA 1.604 57.842 56.400 -0.269 0.000 0.799 608 E CB -0.219 29.335 29.700 -0.243 0.000 0.748 608 E HN 0.467 nan 8.360 nan 0.000 0.449 609 A N 1.126 123.500 122.820 -0.744 0.000 1.877 609 A HA -0.136 4.185 4.320 0.001 0.000 0.216 609 A C 2.429 179.277 177.584 -1.226 0.000 1.186 609 A CA 2.434 53.696 52.037 -1.291 0.000 0.620 609 A CB -0.742 17.246 19.000 -1.686 0.000 0.822 609 A HN 0.300 nan 8.150 nan 0.000 0.443 610 A N -0.474 122.029 122.820 -0.530 0.000 1.902 610 A HA -0.178 4.143 4.320 0.001 0.000 0.217 610 A C 2.252 179.639 177.584 -0.328 0.000 1.181 610 A CA 1.784 53.681 52.037 -0.232 0.000 0.623 610 A CB -0.540 18.442 19.000 -0.029 0.000 0.818 610 A HN 0.559 nan 8.150 nan 0.000 0.443 611 R N -0.500 119.794 120.500 -0.343 0.000 2.096 611 R HA -0.204 4.136 4.340 0.001 0.000 0.240 611 R C 2.363 178.490 176.300 -0.289 0.000 1.139 611 R CA 2.010 57.941 56.100 -0.283 0.000 0.952 611 R CB -0.298 29.863 30.300 -0.232 0.000 0.854 611 R HN 0.697 nan 8.270 nan 0.000 0.436 612 Q N -0.904 118.648 119.800 -0.413 0.000 2.123 612 Q HA -0.129 4.212 4.340 0.001 0.000 0.199 612 Q C 1.886 177.733 176.000 -0.256 0.000 0.966 612 Q CA 1.192 56.777 55.803 -0.364 0.000 0.845 612 Q CB 0.008 28.474 28.738 -0.453 0.000 0.907 612 Q HN 0.322 nan 8.270 nan 0.000 0.439 613 F N 0.609 120.397 119.950 -0.270 0.000 2.234 613 F HA -0.136 4.392 4.527 0.001 0.000 0.299 613 F C 2.701 178.343 175.800 -0.264 0.000 1.087 613 F CA 1.193 59.028 58.000 -0.276 0.000 1.340 613 F CB -1.055 37.812 39.000 -0.221 0.000 1.031 613 F HN 0.068 nan 8.300 nan 0.000 0.500 614 S N -0.100 115.566 115.700 -0.057 0.000 2.423 614 S HA -0.155 4.316 4.470 0.001 0.000 0.231 614 S C 1.675 176.195 174.600 -0.134 0.000 1.014 614 S CA 0.819 58.953 58.200 -0.110 0.000 0.965 614 S CB -0.524 62.587 63.200 -0.148 0.000 0.785 614 S HN 0.400 nan 8.310 nan 0.000 0.495 615 K N 0.219 120.535 120.400 -0.141 0.000 2.444 615 K HA 0.298 4.619 4.320 0.001 0.000 0.193 615 K C 0.180 176.686 176.600 -0.157 0.000 1.024 615 K CA 0.037 56.245 56.287 -0.133 0.000 1.077 615 K CB -0.072 32.357 32.500 -0.119 0.000 0.833 615 K HN 0.467 nan 8.250 nan 0.000 0.517 616 M N -0.512 118.946 119.600 -0.236 0.000 2.250 616 M HA 0.096 4.577 4.480 0.001 0.000 0.344 616 M C 1.587 177.659 176.300 -0.381 0.000 1.150 616 M CA -0.154 54.920 55.300 -0.377 0.000 1.147 616 M CB 1.211 33.381 32.600 -0.717 0.000 1.498 616 M HN 0.140 nan 8.290 nan 0.000 0.461 617 G N 1.699 110.345 108.800 -0.257 0.000 2.450 617 G HA2 -0.207 3.753 3.960 0.001 0.000 0.220 617 G HA3 -0.207 3.753 3.960 0.001 0.000 0.220 617 G C 0.840 175.733 174.900 -0.012 0.000 1.130 617 G CA 0.859 45.909 45.100 -0.082 0.000 0.760 617 G HN 0.796 nan 8.290 nan 0.000 0.557 618 F N -0.060 119.965 119.950 0.124 0.000 2.732 618 F HA 0.587 5.115 4.527 0.001 0.000 0.303 618 F C -0.019 175.920 175.800 0.231 0.000 1.110 618 F CA -1.211 56.916 58.000 0.211 0.000 1.355 618 F CB -0.267 38.969 39.000 0.394 0.000 1.081 618 F HN -0.176 nan 8.300 nan 0.000 0.565 619 V N 1.418 121.313 119.914 -0.032 0.000 2.435 619 V HA 0.187 4.308 4.120 0.001 0.000 0.290 619 V C -0.662 175.415 176.094 -0.029 0.000 1.030 619 V CA -0.845 61.462 62.300 0.011 0.000 0.881 619 V CB 1.566 33.331 31.823 -0.097 0.000 0.983 619 V HN 0.039 nan 8.190 nan 0.000 0.445 620 D N 3.320 123.701 120.400 -0.033 0.000 2.422 620 D HA 0.068 4.708 4.640 0.001 0.000 0.227 620 D C 1.390 177.637 176.300 -0.088 0.000 1.190 620 D CA -0.139 53.814 54.000 -0.078 0.000 0.905 620 D CB 0.233 40.964 40.800 -0.116 0.000 1.034 620 D HN 0.744 nan 8.370 nan 0.000 0.507 621 N N 2.445 121.096 118.700 -0.083 0.000 2.588 621 N HA -0.177 4.564 4.740 0.001 0.000 0.190 621 N C 0.788 176.252 175.510 -0.077 0.000 1.094 621 N CA 0.497 53.492 53.050 -0.090 0.000 0.921 621 N CB 0.167 38.597 38.487 -0.096 0.000 0.959 621 N HN 0.238 nan 8.380 nan 0.000 0.448 622 K N -0.090 120.272 120.400 -0.063 0.000 2.379 622 K HA 0.124 4.445 4.320 0.001 0.000 0.194 622 K C 0.186 176.782 176.600 -0.008 0.000 1.031 622 K CA 0.251 56.517 56.287 -0.035 0.000 1.037 622 K CB 0.424 32.906 32.500 -0.030 0.000 0.824 622 K HN 0.166 nan 8.250 nan 0.000 0.516 623 R N 1.284 121.749 120.500 -0.059 0.000 2.651 623 R HA 0.365 4.706 4.340 0.001 0.000 0.282 623 R C -0.978 175.288 176.300 -0.058 0.000 1.565 623 R CA -0.074 55.980 56.100 -0.076 0.000 1.661 623 R CB 0.626 30.687 30.300 -0.398 0.000 1.189 623 R HN -0.023 nan 8.270 nan 0.000 0.621 624 I N 1.229 121.891 120.570 0.154 0.000 2.389 624 I HA 0.557 4.728 4.170 0.001 0.000 0.288 624 I C -0.017 176.387 176.117 0.478 0.000 0.999 624 I CA -0.752 60.681 61.300 0.223 0.000 1.129 624 I CB 1.864 39.855 38.000 -0.015 0.000 1.288 624 I HN 0.371 nan 8.210 nan 0.000 0.444 625 A N 7.165 130.365 122.820 0.635 0.000 2.344 625 A HA 0.931 5.252 4.320 0.001 0.000 0.307 625 A C -1.027 176.899 177.584 0.569 0.000 1.151 625 A CA -0.658 51.724 52.037 0.575 0.000 0.842 625 A CB 2.024 21.251 19.000 0.379 0.000 1.350 625 A HN 0.726 nan 8.150 nan 0.000 0.459 626 I N 0.142 120.951 120.570 0.397 0.000 2.752 626 I HA 0.666 4.836 4.170 0.001 0.000 0.295 626 I C -2.014 174.338 176.117 0.393 0.000 1.219 626 I CA -0.551 60.910 61.300 0.269 0.000 1.030 626 I CB 1.654 39.521 38.000 -0.222 0.000 1.259 626 I HN 0.937 nan 8.210 nan 0.000 0.423 627 W N 7.169 128.587 121.300 0.197 0.000 3.213 627 W HA 0.845 5.506 4.660 0.001 0.000 0.318 627 W C -1.517 175.153 176.519 0.252 0.000 1.248 627 W CA -0.955 56.529 57.345 0.231 0.000 1.187 627 W CB 1.181 30.841 29.460 0.333 0.000 1.403 627 W HN 0.824 nan 8.180 nan 0.000 0.556 628 G N 1.201 109.989 108.800 -0.020 0.000 2.646 628 G HA2 0.523 4.484 3.960 0.001 0.000 0.291 628 G HA3 0.523 4.484 3.960 0.001 0.000 0.291 628 G C -2.811 172.074 174.900 -0.026 0.000 1.445 628 G CA -0.682 44.258 45.100 -0.267 0.000 0.814 628 G HN 0.592 nan 8.290 nan 0.000 0.495 629 W N 0.952 122.156 121.300 -0.159 0.000 2.785 629 W HA 0.598 5.259 4.660 0.001 0.000 0.333 629 W C 0.743 177.308 176.519 0.078 0.000 1.062 629 W CA 0.282 57.617 57.345 -0.017 0.000 1.233 629 W CB 1.892 31.349 29.460 -0.006 0.000 1.413 629 W HN 1.195 nan 8.180 nan 0.000 0.489 630 S N 2.688 118.642 115.700 0.423 0.000 4.140 630 S HA -0.429 4.042 4.470 0.001 0.000 0.618 630 S C 1.113 175.818 174.600 0.176 0.000 1.896 630 S CA 1.858 60.316 58.200 0.430 0.000 4.240 630 S CB -1.831 61.805 63.200 0.726 0.000 0.208 630 S HN 0.741 nan 8.310 nan 0.000 0.487 631 Y N 2.461 122.737 120.300 -0.040 0.000 2.274 631 Y HA 0.070 4.620 4.550 0.001 0.000 0.290 631 Y C 2.368 178.137 175.900 -0.219 0.000 1.145 631 Y CA 2.466 60.409 58.100 -0.263 0.000 1.203 631 Y CB -1.009 37.042 38.460 -0.681 0.000 0.984 631 Y HN 0.519 nan 8.280 nan 0.000 0.533 632 G N -1.062 107.701 108.800 -0.061 0.000 2.443 632 G HA2 -0.196 3.764 3.960 0.001 0.000 0.219 632 G HA3 -0.196 3.764 3.960 0.001 0.000 0.219 632 G C 1.888 176.816 174.900 0.046 0.000 1.131 632 G CA 0.697 45.818 45.100 0.036 0.000 0.775 632 G HN 0.567 nan 8.290 nan 0.000 0.547 633 G N -0.197 108.641 108.800 0.064 0.000 2.403 633 G HA2 -0.194 3.767 3.960 0.001 0.000 0.216 633 G HA3 -0.194 3.767 3.960 0.001 0.000 0.216 633 G C 1.572 176.502 174.900 0.050 0.000 1.154 633 G CA 0.999 46.130 45.100 0.052 0.000 0.784 633 G HN 0.411 nan 8.290 nan 0.000 0.538 634 Y N 1.346 121.550 120.300 -0.160 0.000 2.163 634 Y HA -0.091 4.460 4.550 0.001 0.000 0.288 634 Y C 2.735 178.546 175.900 -0.148 0.000 1.136 634 Y CA 1.516 59.473 58.100 -0.239 0.000 1.147 634 Y CB -0.445 37.714 38.460 -0.502 0.000 0.987 634 Y HN 0.021 nan 8.280 nan 0.000 0.509 635 V N -0.277 119.525 119.914 -0.186 0.000 2.343 635 V HA -0.308 3.813 4.120 0.001 0.000 0.247 635 V C 2.301 178.290 176.094 -0.175 0.000 1.051 635 V CA 2.415 64.596 62.300 -0.198 0.000 1.036 635 V CB -1.108 30.746 31.823 0.052 0.000 0.654 635 V HN 0.491 nan 8.190 nan 0.000 0.451 636 T N -0.376 114.127 114.554 -0.085 0.000 2.746 636 T HA -0.179 4.172 4.350 0.001 0.000 0.267 636 T C 2.152 176.802 174.700 -0.084 0.000 1.039 636 T CA 1.918 63.978 62.100 -0.066 0.000 1.142 636 T CB -0.208 68.700 68.868 0.067 0.000 0.866 636 T HN 0.497 nan 8.240 nan 0.000 0.444 637 S N 0.991 116.671 115.700 -0.033 0.000 2.355 637 S HA 0.009 4.479 4.470 0.001 0.000 0.222 637 S C 2.151 176.660 174.600 -0.152 0.000 1.031 637 S CA 0.867 59.075 58.200 0.013 0.000 0.993 637 S CB -0.257 63.005 63.200 0.102 0.000 0.859 637 S HN 0.306 nan 8.310 nan 0.000 0.453 638 M N 1.039 120.464 119.600 -0.292 0.000 2.149 638 M HA -0.048 4.433 4.480 0.001 0.000 0.261 638 M C 2.176 178.314 176.300 -0.271 0.000 1.064 638 M CA 1.083 56.190 55.300 -0.323 0.000 1.102 638 M CB -1.437 30.861 32.600 -0.503 0.000 1.369 638 M HN 0.171 nan 8.290 nan 0.000 0.408 639 V N 0.507 120.256 119.914 -0.275 0.000 2.270 639 V HA -0.238 3.883 4.120 0.001 0.000 0.245 639 V C 2.520 178.421 176.094 -0.322 0.000 1.043 639 V CA 1.384 63.525 62.300 -0.265 0.000 1.014 639 V CB -0.609 30.998 31.823 -0.359 0.000 0.645 639 V HN 0.396 nan 8.190 nan 0.000 0.447 640 L N 0.440 121.396 121.223 -0.444 0.000 2.127 640 L HA -0.088 4.252 4.340 0.001 0.000 0.211 640 L C 2.162 178.456 176.870 -0.960 0.000 1.089 640 L CA 1.544 56.014 54.840 -0.616 0.000 0.757 640 L CB -0.739 40.910 42.059 -0.683 0.000 0.899 640 L HN 0.501 nan 8.230 nan 0.000 0.434 641 G N -1.448 106.767 108.800 -0.975 0.000 3.314 641 G HA2 -0.012 3.949 3.960 0.001 0.000 0.238 641 G HA3 -0.012 3.949 3.960 0.001 0.000 0.238 641 G C 1.413 176.141 174.900 -0.288 0.000 1.184 641 G CA 0.554 45.220 45.100 -0.723 0.000 0.806 641 G HN 0.434 nan 8.290 nan 0.000 0.536 642 S N -0.903 114.653 115.700 -0.241 0.000 2.478 642 S HA 0.310 4.780 4.470 0.001 0.000 0.222 642 S C 1.917 176.471 174.600 -0.076 0.000 1.008 642 S CA 1.007 59.136 58.200 -0.118 0.000 0.928 642 S CB -0.028 63.124 63.200 -0.080 0.000 0.781 642 S HN 1.345 nan 8.310 nan 0.000 0.518 643 G N 1.449 110.195 108.800 -0.089 0.000 2.143 643 G HA2 -0.323 3.638 3.960 0.001 0.000 0.248 643 G HA3 -0.323 3.638 3.960 0.001 0.000 0.248 643 G C 0.890 175.776 174.900 -0.023 0.000 0.991 643 G CA 0.829 45.900 45.100 -0.049 0.000 0.689 643 G HN 1.288 nan 8.290 nan 0.000 0.522 644 S N -0.601 115.095 115.700 -0.006 0.000 2.489 644 S HA 0.333 4.804 4.470 0.001 0.000 0.228 644 S C 2.481 177.075 174.600 -0.011 0.000 0.995 644 S CA 1.476 59.679 58.200 0.004 0.000 0.934 644 S CB -0.150 63.075 63.200 0.041 0.000 0.771 644 S HN 2.352 nan 8.310 nan 0.000 0.522 645 G N 0.424 109.226 108.800 0.003 0.000 2.196 645 G HA2 -0.310 3.650 3.960 0.001 0.000 0.268 645 G HA3 -0.310 3.650 3.960 0.001 0.000 0.268 645 G C 0.773 175.641 174.900 -0.053 0.000 0.975 645 G CA 0.539 45.632 45.100 -0.011 0.000 0.648 645 G HN 0.702 nan 8.290 nan 0.000 0.538 646 V N -0.800 119.048 119.914 -0.109 0.000 2.591 646 V HA 0.229 4.349 4.120 0.001 0.000 0.249 646 V C 1.235 177.031 176.094 -0.497 0.000 1.053 646 V CA 1.458 63.539 62.300 -0.365 0.000 1.068 646 V CB -0.381 31.071 31.823 -0.618 0.000 0.689 646 V HN 0.320 nan 8.190 nan 0.000 0.462 647 F N -0.071 119.892 119.950 0.021 0.000 2.421 647 F HA 0.405 4.933 4.527 0.001 0.000 0.337 647 F C 1.109 176.954 175.800 0.076 0.000 1.105 647 F CA -0.605 57.435 58.000 0.067 0.000 1.049 647 F CB 1.449 40.492 39.000 0.072 0.000 1.139 647 F HN -0.254 nan 8.300 nan 0.000 0.479 648 K N 1.555 122.115 120.400 0.267 0.000 2.186 648 K HA 0.113 4.434 4.320 0.001 0.000 0.202 648 K C -0.161 176.570 176.600 0.218 0.000 1.052 648 K CA 0.847 57.255 56.287 0.203 0.000 0.965 648 K CB 0.242 32.858 32.500 0.194 0.000 0.746 648 K HN 0.796 nan 8.250 nan 0.000 0.457 649 c N -2.539 116.228 118.600 0.278 0.000 3.321 649 c HA 0.896 5.467 4.570 0.001 0.000 0.329 649 c C -0.247 174.068 174.090 0.375 0.000 1.394 649 c CA -0.654 55.861 56.329 0.310 0.000 1.291 649 c CB 1.103 43.719 42.510 0.177 0.000 1.606 649 c HN 0.321 nan 8.230 nan 0.000 0.463 650 G N 0.074 109.162 108.800 0.479 0.000 2.698 650 G HA2 0.726 4.687 3.960 0.001 0.000 0.293 650 G HA3 0.726 4.687 3.960 0.001 0.000 0.293 650 G C -1.933 173.213 174.900 0.409 0.000 1.437 650 G CA -0.679 44.671 45.100 0.418 0.000 0.852 650 G HN 0.982 nan 8.290 nan 0.000 0.499 651 I N 0.897 121.673 120.570 0.344 0.000 2.447 651 I HA 0.591 4.762 4.170 0.001 0.000 0.287 651 I C 0.104 176.355 176.117 0.222 0.000 1.023 651 I CA -0.969 60.427 61.300 0.160 0.000 1.083 651 I CB 2.196 40.277 38.000 0.136 0.000 1.245 651 I HN 0.632 nan 8.210 nan 0.000 0.434 652 A N 6.744 129.591 122.820 0.045 0.000 2.273 652 A HA 0.763 5.084 4.320 0.001 0.000 0.315 652 A C -0.717 176.795 177.584 -0.120 0.000 1.256 652 A CA -0.490 51.577 52.037 0.050 0.000 0.851 652 A CB 1.043 20.137 19.000 0.156 0.000 1.172 652 A HN 0.439 nan 8.150 nan 0.000 0.508 653 V N 2.069 121.865 119.914 -0.197 0.000 2.417 653 V HA 0.579 4.699 4.120 0.001 0.000 0.291 653 V C 0.970 176.708 176.094 -0.594 0.000 1.024 653 V CA 0.242 62.217 62.300 -0.542 0.000 0.861 653 V CB 0.793 31.960 31.823 -1.094 0.000 0.985 653 V HN 2.069 nan 8.190 nan 0.000 0.436 654 A N 5.448 127.901 122.820 -0.612 0.000 2.511 654 A HA -0.109 4.212 4.320 0.001 0.000 0.297 654 A C -1.640 175.799 177.584 -0.241 0.000 1.476 654 A CA 0.564 52.119 52.037 -0.804 0.000 0.757 654 A CB -1.567 17.056 19.000 -0.628 0.000 1.072 654 A HN 0.636 nan 8.150 nan 0.000 0.413 655 P HA 0.460 nan 4.420 nan 0.000 0.278 655 P C 0.076 177.351 177.300 -0.041 0.000 1.258 655 P CA -0.327 62.761 63.100 -0.021 0.000 0.811 655 P CB 1.340 33.050 31.700 0.018 0.000 1.063 656 V N 1.566 121.360 119.914 -0.201 0.000 2.607 656 V HA 0.132 4.253 4.120 0.001 0.000 0.289 656 V C 1.643 177.546 176.094 -0.319 0.000 1.053 656 V CA 0.708 62.744 62.300 -0.440 0.000 0.996 656 V CB 1.007 32.186 31.823 -1.073 0.000 0.995 656 V HN 0.838 nan 8.190 nan 0.000 0.476 657 S N 3.851 119.391 115.700 -0.266 0.000 2.613 657 S HA 0.240 4.711 4.470 0.001 0.000 0.235 657 S C 0.464 174.896 174.600 -0.280 0.000 1.073 657 S CA -0.373 57.743 58.200 -0.139 0.000 0.899 657 S CB 0.313 63.496 63.200 -0.028 0.000 0.818 657 S HN 0.822 nan 8.310 nan 0.000 0.484 658 R N -1.084 119.124 120.500 -0.486 0.000 2.548 658 R HA 0.484 4.825 4.340 0.001 0.000 0.280 658 R C -0.868 175.074 176.300 -0.597 0.000 1.061 658 R CA -0.877 54.875 56.100 -0.579 0.000 0.915 658 R CB -0.092 29.823 30.300 -0.641 0.000 1.210 658 R HN 0.139 nan 8.270 nan 0.000 0.442 659 W N 1.535 122.740 121.300 -0.157 0.000 2.364 659 W HA -0.068 4.592 4.660 0.001 0.000 0.281 659 W C 1.132 177.770 176.519 0.199 0.000 1.219 659 W CA 0.973 58.316 57.345 -0.004 0.000 1.220 659 W CB 0.169 29.556 29.460 -0.121 0.000 1.127 659 W HN 0.728 nan 8.180 nan 0.000 0.556 660 E N -1.023 119.335 120.200 0.264 0.000 2.409 660 E HA -0.186 4.165 4.350 0.001 0.000 0.198 660 E C 1.168 177.909 176.600 0.234 0.000 1.024 660 E CA 0.725 57.240 56.400 0.192 0.000 0.861 660 E CB -0.202 29.504 29.700 0.011 0.000 0.788 660 E HN 0.384 nan 8.360 nan 0.000 0.521 661 Y N -1.630 118.755 120.300 0.143 0.000 2.500 661 Y HA 0.077 4.627 4.550 0.001 0.000 0.270 661 Y C 0.608 176.593 175.900 0.142 0.000 1.134 661 Y CA -0.340 57.813 58.100 0.088 0.000 1.293 661 Y CB -0.329 38.128 38.460 -0.005 0.000 1.063 661 Y HN 0.009 nan 8.280 nan 0.000 0.534 662 Y N 1.958 122.406 120.300 0.246 0.000 2.392 662 Y HA 0.288 4.838 4.550 0.001 0.000 0.323 662 Y C 0.335 176.437 175.900 0.337 0.000 1.291 662 Y CA -2.099 56.153 58.100 0.253 0.000 1.345 662 Y CB 0.391 39.037 38.460 0.309 0.000 1.320 662 Y HN 0.199 nan 8.280 nan 0.000 0.518 663 D N -0.479 119.546 120.400 -0.624 0.000 2.382 663 D HA 0.085 4.726 4.640 0.001 0.000 0.240 663 D C 0.944 177.221 176.300 -0.038 0.000 1.146 663 D CA 0.394 54.161 54.000 -0.388 0.000 0.897 663 D CB 0.897 41.253 40.800 -0.740 0.000 1.197 663 D HN 0.487 nan 8.370 nan 0.000 0.432 664 S N 1.234 116.926 115.700 -0.015 0.000 2.348 664 S HA -0.232 4.239 4.470 0.001 0.000 0.221 664 S C 1.947 176.581 174.600 0.056 0.000 1.033 664 S CA 1.196 59.442 58.200 0.077 0.000 1.010 664 S CB -1.048 62.205 63.200 0.088 0.000 0.891 664 S HN 0.444 nan 8.310 nan 0.000 0.442 665 V N 0.887 120.776 119.914 -0.042 0.000 2.287 665 V HA -0.194 3.927 4.120 0.001 0.000 0.248 665 V C 2.336 178.354 176.094 -0.127 0.000 1.053 665 V CA 2.322 64.504 62.300 -0.197 0.000 1.027 665 V CB -1.122 30.437 31.823 -0.440 0.000 0.646 665 V HN 0.635 nan 8.190 nan 0.000 0.447 666 Y N 1.239 121.494 120.300 -0.075 0.000 2.206 666 Y HA -0.162 4.389 4.550 0.001 0.000 0.292 666 Y C 2.679 178.591 175.900 0.019 0.000 1.123 666 Y CA 2.088 60.212 58.100 0.041 0.000 1.142 666 Y CB -0.574 38.113 38.460 0.379 0.000 1.006 666 Y HN 0.218 nan 8.280 nan 0.000 0.518 667 T N 0.539 115.333 114.554 0.401 0.000 2.674 667 T HA -0.204 4.147 4.350 0.001 0.000 0.265 667 T C 1.555 176.235 174.700 -0.033 0.000 1.039 667 T CA 1.999 64.252 62.100 0.255 0.000 1.150 667 T CB -0.348 68.814 68.868 0.491 0.000 0.864 667 T HN 0.438 nan 8.240 nan 0.000 0.427 668 E N 0.587 120.801 120.200 0.023 0.000 2.204 668 E HA -0.111 4.240 4.350 0.001 0.000 0.195 668 E C 2.335 178.821 176.600 -0.191 0.000 0.990 668 E CA 0.518 56.921 56.400 0.004 0.000 0.821 668 E CB -0.137 29.609 29.700 0.077 0.000 0.750 668 E HN 0.331 nan 8.360 nan 0.000 0.477 669 R N 0.038 120.275 120.500 -0.439 0.000 2.105 669 R HA -0.198 4.142 4.340 0.001 0.000 0.239 669 R C 1.341 177.085 176.300 -0.927 0.000 1.135 669 R CA 1.619 57.261 56.100 -0.763 0.000 0.967 669 R CB -0.022 29.508 30.300 -1.283 0.000 0.861 669 R HN 0.224 nan 8.270 nan 0.000 0.442 670 Y N -2.011 117.949 120.300 -0.567 0.000 2.479 670 Y HA 0.198 4.748 4.550 0.001 0.000 0.283 670 Y C 1.657 177.356 175.900 -0.335 0.000 1.109 670 Y CA 0.234 57.990 58.100 -0.574 0.000 1.239 670 Y CB 0.388 38.384 38.460 -0.774 0.000 1.108 670 Y HN -0.036 nan 8.280 nan 0.000 0.548 671 M N -0.201 119.278 119.600 -0.202 0.000 2.333 671 M HA 0.355 4.835 4.480 0.001 0.000 0.257 671 M C 0.987 177.303 176.300 0.027 0.000 1.078 671 M CA 0.620 55.813 55.300 -0.179 0.000 1.005 671 M CB -0.465 31.830 32.600 -0.508 0.000 1.444 671 M HN 0.331 nan 8.290 nan 0.000 0.496 672 G N 2.039 110.864 108.800 0.043 0.000 2.641 672 G HA2 -0.255 3.706 3.960 0.001 0.000 0.254 672 G HA3 -0.255 3.706 3.960 0.001 0.000 0.254 672 G C -0.469 174.566 174.900 0.224 0.000 1.315 672 G CA -0.697 44.469 45.100 0.109 0.000 0.907 672 G HN 0.381 nan 8.290 nan 0.000 0.572 673 L N 1.947 123.272 121.223 0.170 0.000 2.357 673 L HA 0.453 4.794 4.340 0.001 0.000 0.273 673 L C -1.480 175.408 176.870 0.031 0.000 1.080 673 L CA -1.770 53.131 54.840 0.103 0.000 0.803 673 L CB 1.947 44.027 42.059 0.036 0.000 1.174 673 L HN 0.457 nan 8.230 nan 0.000 0.443 674 P HA 0.107 nan 4.420 nan 0.000 0.219 674 P C -0.748 176.403 177.300 -0.248 0.000 1.832 674 P CA -0.153 62.560 63.100 -0.645 0.000 1.014 674 P CB -0.138 30.750 31.700 -1.353 0.000 1.939 675 T N -1.979 112.521 114.554 -0.090 0.000 2.916 675 T HA 0.473 4.824 4.350 0.001 0.000 0.292 675 T C -2.093 172.606 174.700 -0.001 0.000 1.055 675 T CA -2.381 59.694 62.100 -0.042 0.000 1.009 675 T CB 1.988 70.842 68.868 -0.023 0.000 1.118 675 T HN -0.192 nan 8.240 nan 0.000 0.497 676 P HA -0.084 nan 4.420 nan 0.000 0.218 676 P C 0.756 178.071 177.300 0.025 0.000 1.148 676 P CA 1.220 64.331 63.100 0.019 0.000 0.822 676 P CB 0.170 31.878 31.700 0.012 0.000 0.784 677 E N -0.701 119.510 120.200 0.018 0.000 2.274 677 E HA -0.093 4.258 4.350 0.001 0.000 0.194 677 E C 1.632 178.249 176.600 0.029 0.000 0.996 677 E CA 0.836 57.248 56.400 0.019 0.000 0.840 677 E CB -0.427 29.280 29.700 0.011 0.000 0.772 677 E HN 0.327 nan 8.360 nan 0.000 0.491 678 D N -0.483 119.940 120.400 0.038 0.000 2.818 678 D HA 0.045 4.686 4.640 0.001 0.000 0.250 678 D C 0.217 176.572 176.300 0.092 0.000 1.496 678 D CA 0.310 54.345 54.000 0.058 0.000 1.192 678 D CB 0.061 40.897 40.800 0.060 0.000 0.963 678 D HN -0.014 nan 8.370 nan 0.000 0.259 679 N N 0.006 118.794 118.700 0.147 0.000 2.451 679 N HA 0.091 4.832 4.740 0.001 0.000 0.271 679 N C 0.770 176.481 175.510 0.334 0.000 1.410 679 N CA -0.090 53.093 53.050 0.221 0.000 0.884 679 N CB 0.141 38.771 38.487 0.238 0.000 1.332 679 N HN 0.075 nan 8.380 nan 0.000 0.498 680 L N 0.395 121.737 121.223 0.197 0.000 2.017 680 L HA -0.036 4.304 4.340 0.001 0.000 0.208 680 L C 1.142 178.126 176.870 0.189 0.000 1.073 680 L CA 2.012 56.949 54.840 0.162 0.000 0.745 680 L CB -0.493 41.588 42.059 0.037 0.000 0.894 680 L HN 0.150 nan 8.230 nan 0.000 0.432 681 D N -1.324 119.161 120.400 0.142 0.000 2.133 681 D HA -0.272 4.369 4.640 0.001 0.000 0.195 681 D C 2.085 178.466 176.300 0.136 0.000 0.997 681 D CA 1.834 55.904 54.000 0.118 0.000 0.840 681 D CB -0.228 40.632 40.800 0.100 0.000 0.947 681 D HN 0.589 nan 8.370 nan 0.000 0.452 682 H N -1.314 117.820 119.070 0.107 0.000 2.529 682 H HA -0.002 4.555 4.556 0.001 0.000 0.277 682 H C 1.542 176.930 175.328 0.099 0.000 0.999 682 H CA 0.909 56.998 56.048 0.068 0.000 1.256 682 H CB -0.166 29.601 29.762 0.007 0.000 1.402 682 H HN 0.165 nan 8.280 nan 0.000 0.566 683 Y N 0.033 120.307 120.300 -0.042 0.000 2.242 683 Y HA -0.105 4.446 4.550 0.001 0.000 0.291 683 Y C 2.200 178.058 175.900 -0.069 0.000 1.137 683 Y CA 1.121 59.211 58.100 -0.018 0.000 1.181 683 Y CB 0.244 38.728 38.460 0.039 0.000 0.989 683 Y HN 0.110 nan 8.280 nan 0.000 0.527 684 R N -0.251 120.310 120.500 0.102 0.000 2.153 684 R HA -0.016 4.325 4.340 0.001 0.000 0.218 684 R C 1.203 177.488 176.300 -0.026 0.000 1.072 684 R CA 0.623 56.739 56.100 0.027 0.000 0.990 684 R CB -0.531 29.789 30.300 0.034 0.000 0.889 684 R HN 0.403 nan 8.270 nan 0.000 0.452 685 N N 0.630 119.287 118.700 -0.071 0.000 2.422 685 N HA -0.042 4.698 4.740 0.001 0.000 0.181 685 N C 0.527 175.968 175.510 -0.115 0.000 1.080 685 N CA 0.620 53.625 53.050 -0.074 0.000 0.893 685 N CB 0.332 38.805 38.487 -0.024 0.000 0.973 685 N HN 0.132 nan 8.380 nan 0.000 0.456 686 S N -0.388 115.197 115.700 -0.192 0.000 2.537 686 S HA 0.102 4.573 4.470 0.001 0.000 0.246 686 S C 0.561 175.197 174.600 0.059 0.000 1.036 686 S CA -0.752 57.407 58.200 -0.069 0.000 1.041 686 S CB -0.363 62.760 63.200 -0.129 0.000 0.799 686 S HN 0.147 nan 8.310 nan 0.000 0.456 687 T N -2.020 112.529 114.554 -0.010 0.000 2.934 687 T HA 0.552 4.903 4.350 0.001 0.000 0.283 687 T C 1.260 175.952 174.700 -0.013 0.000 1.005 687 T CA -0.679 61.405 62.100 -0.028 0.000 1.041 687 T CB 1.367 70.186 68.868 -0.082 0.000 1.042 687 T HN -0.043 nan 8.240 nan 0.000 0.505 688 V N 1.391 121.295 119.914 -0.018 0.000 2.379 688 V HA -0.105 4.015 4.120 0.001 0.000 0.245 688 V C 2.669 178.742 176.094 -0.034 0.000 1.044 688 V CA 1.564 63.850 62.300 -0.023 0.000 1.036 688 V CB -0.942 30.866 31.823 -0.026 0.000 0.664 688 V HN 0.823 nan 8.190 nan 0.000 0.453 689 M N 1.290 120.851 119.600 -0.066 0.000 2.143 689 M HA -0.199 4.282 4.480 0.001 0.000 0.258 689 M C 2.316 178.590 176.300 -0.044 0.000 1.071 689 M CA 2.297 57.552 55.300 -0.076 0.000 1.088 689 M CB -1.014 31.549 32.600 -0.061 0.000 1.360 689 M HN 0.540 nan 8.290 nan 0.000 0.404 690 S N -0.661 115.023 115.700 -0.026 0.000 2.507 690 S HA -0.075 4.396 4.470 0.001 0.000 0.235 690 S C 1.816 176.421 174.600 0.008 0.000 0.988 690 S CA 0.751 58.945 58.200 -0.011 0.000 0.944 690 S CB -0.349 62.844 63.200 -0.011 0.000 0.762 690 S HN 0.511 nan 8.310 nan 0.000 0.526 691 R N 0.406 120.924 120.500 0.031 0.000 2.362 691 R HA 0.490 4.831 4.340 0.001 0.000 0.227 691 R C 2.249 178.653 176.300 0.173 0.000 0.905 691 R CA 0.470 56.617 56.100 0.077 0.000 1.067 691 R CB -0.329 30.011 30.300 0.067 0.000 1.078 691 R HN 0.448 nan 8.270 nan 0.000 0.516 692 A N 1.621 124.489 122.820 0.079 0.000 1.894 692 A HA -0.361 3.960 4.320 0.001 0.000 0.220 692 A C 1.989 179.655 177.584 0.136 0.000 1.237 692 A CA 2.221 54.263 52.037 0.009 0.000 0.660 692 A CB -0.512 18.432 19.000 -0.093 0.000 0.835 692 A HN 0.372 nan 8.150 nan 0.000 0.461 693 E N -0.047 120.205 120.200 0.087 0.000 2.114 693 E HA -0.216 4.135 4.350 0.001 0.000 0.199 693 E C 1.602 178.265 176.600 0.104 0.000 1.008 693 E CA 1.634 58.082 56.400 0.080 0.000 0.810 693 E CB -0.191 29.537 29.700 0.048 0.000 0.739 693 E HN 0.631 nan 8.360 nan 0.000 0.456 694 N N -0.572 118.190 118.700 0.102 0.000 2.573 694 N HA -0.112 4.629 4.740 0.001 0.000 0.187 694 N C 0.621 176.131 175.510 -0.001 0.000 1.107 694 N CA 0.593 53.658 53.050 0.025 0.000 0.918 694 N CB -0.113 38.343 38.487 -0.051 0.000 0.966 694 N HN 0.253 nan 8.380 nan 0.000 0.448 695 F N 0.783 120.691 119.950 -0.070 0.000 2.811 695 F HA 0.098 4.626 4.527 0.001 0.000 0.301 695 F C 2.112 177.914 175.800 0.002 0.000 1.151 695 F CA 0.128 58.081 58.000 -0.078 0.000 1.412 695 F CB 0.218 39.119 39.000 -0.164 0.000 1.113 695 F HN -0.089 nan 8.300 nan 0.000 0.579 696 K N 0.489 120.992 120.400 0.171 0.000 2.152 696 K HA -0.175 4.145 4.320 0.001 0.000 0.206 696 K C 1.295 177.961 176.600 0.111 0.000 1.048 696 K CA 1.302 57.668 56.287 0.132 0.000 0.933 696 K CB -0.005 32.550 32.500 0.092 0.000 0.721 696 K HN 0.306 nan 8.250 nan 0.000 0.447 697 Q N 0.454 120.302 119.800 0.081 0.000 2.201 697 Q HA 0.098 4.438 4.340 0.001 0.000 0.217 697 Q C -0.756 175.294 176.000 0.082 0.000 0.860 697 Q CA -0.235 55.610 55.803 0.069 0.000 0.984 697 Q CB 1.001 29.763 28.738 0.041 0.000 1.095 697 Q HN 0.133 nan 8.270 nan 0.000 0.477 698 V N -3.675 116.310 119.914 0.118 0.000 3.114 698 V HA 0.506 4.627 4.120 0.001 0.000 0.308 698 V C -1.058 175.184 176.094 0.247 0.000 1.168 698 V CA -1.303 61.088 62.300 0.152 0.000 1.015 698 V CB 2.352 34.233 31.823 0.097 0.000 1.050 698 V HN 0.011 nan 8.190 nan 0.000 0.433 699 E N 1.454 121.828 120.200 0.290 0.000 2.174 699 E HA 0.514 4.865 4.350 0.001 0.000 0.282 699 E C -1.879 175.100 176.600 0.632 0.000 0.992 699 E CA -0.409 56.238 56.400 0.413 0.000 0.803 699 E CB 1.897 31.767 29.700 0.283 0.000 1.090 699 E HN 0.710 nan 8.360 nan 0.000 0.396 700 Y N 3.485 124.061 120.300 0.460 0.000 2.391 700 Y HA 0.428 4.978 4.550 0.001 0.000 0.341 700 Y C -1.819 174.169 175.900 0.147 0.000 0.965 700 Y CA -1.386 56.918 58.100 0.340 0.000 1.067 700 Y CB 1.046 39.730 38.460 0.373 0.000 1.199 700 Y HN 0.418 nan 8.280 nan 0.000 0.450 701 L N 7.761 128.709 121.223 -0.459 0.000 2.325 701 L HA 0.642 4.983 4.340 0.001 0.000 0.281 701 L C -2.129 174.289 176.870 -0.753 0.000 1.004 701 L CA -0.850 53.562 54.840 -0.712 0.000 0.823 701 L CB 1.336 42.648 42.059 -1.246 0.000 1.236 701 L HN 0.676 nan 8.230 nan 0.000 0.415 702 L N 6.648 127.530 121.223 -0.567 0.000 2.325 702 L HA 0.701 5.042 4.340 0.001 0.000 0.281 702 L C -1.169 175.589 176.870 -0.186 0.000 1.004 702 L CA -0.029 54.526 54.840 -0.475 0.000 0.823 702 L CB 1.202 42.992 42.059 -0.448 0.000 1.236 702 L HN 0.597 nan 8.230 nan 0.000 0.415 703 I N 4.370 124.844 120.570 -0.160 0.000 2.608 703 I HA 0.509 4.680 4.170 0.001 0.000 0.295 703 I C -1.120 175.014 176.117 0.029 0.000 1.049 703 I CA -0.758 60.505 61.300 -0.062 0.000 1.063 703 I CB 2.110 40.036 38.000 -0.123 0.000 1.248 703 I HN 0.697 nan 8.210 nan 0.000 0.424 704 H N 1.901 121.032 119.070 0.102 0.000 3.112 704 H HA 0.448 5.005 4.556 0.001 0.000 0.347 704 H C -0.532 175.034 175.328 0.396 0.000 1.188 704 H CA -0.636 55.529 56.048 0.194 0.000 1.240 704 H CB 1.922 31.760 29.762 0.126 0.000 1.920 704 H HN 0.766 nan 8.280 nan 0.000 0.535 705 G N 0.945 110.110 108.800 0.609 0.000 2.372 705 G HA2 0.229 4.190 3.960 0.001 0.000 0.283 705 G HA3 0.229 4.190 3.960 0.001 0.000 0.283 705 G C 1.150 176.314 174.900 0.440 0.000 1.177 705 G CA 0.120 45.512 45.100 0.487 0.000 0.842 705 G HN 0.744 nan 8.290 nan 0.000 0.503 706 T N -0.690 113.958 114.554 0.157 0.000 3.007 706 T HA 0.055 4.406 4.350 0.001 0.000 0.270 706 T C 1.655 176.339 174.700 -0.026 0.000 1.107 706 T CA 1.305 63.310 62.100 -0.158 0.000 1.118 706 T CB 0.140 68.860 68.868 -0.246 0.000 0.889 706 T HN 0.697 nan 8.240 nan 0.000 0.506 707 A N 0.980 123.861 122.820 0.102 0.000 2.708 707 A HA 0.321 4.642 4.320 0.001 0.000 0.293 707 A C 0.336 177.906 177.584 -0.023 0.000 1.303 707 A CA -0.530 51.556 52.037 0.082 0.000 0.949 707 A CB -0.246 19.040 19.000 0.476 0.000 1.121 707 A HN 0.383 nan 8.150 nan 0.000 0.542 708 D N 1.429 121.835 120.400 0.011 0.000 2.338 708 D HA 0.009 4.650 4.640 0.001 0.000 0.255 708 D C 0.344 176.614 176.300 -0.050 0.000 1.237 708 D CA 0.102 54.202 54.000 0.168 0.000 0.883 708 D CB 0.764 41.825 40.800 0.435 0.000 1.087 708 D HN 0.567 nan 8.370 nan 0.000 0.485 709 D N 2.393 122.808 120.400 0.025 0.000 2.348 709 D HA -0.129 4.511 4.640 0.001 0.000 0.211 709 D C 0.935 177.211 176.300 -0.040 0.000 0.998 709 D CA -0.112 53.841 54.000 -0.079 0.000 0.873 709 D CB 0.424 41.156 40.800 -0.114 0.000 0.925 709 D HN 0.208 nan 8.370 nan 0.000 0.524 710 N N 0.921 119.697 118.700 0.127 0.000 2.324 710 N HA -0.056 4.685 4.740 0.001 0.000 0.192 710 N C -0.005 175.458 175.510 -0.078 0.000 1.046 710 N CA 0.624 53.775 53.050 0.168 0.000 0.898 710 N CB 0.310 38.891 38.487 0.156 0.000 1.079 710 N HN -0.097 nan 8.380 nan 0.000 0.456 711 V N 3.767 123.658 119.914 -0.039 0.000 2.288 711 V HA 0.199 4.320 4.120 0.001 0.000 0.266 711 V C -0.679 175.498 176.094 0.138 0.000 1.048 711 V CA -0.716 61.593 62.300 0.016 0.000 0.842 711 V CB -0.001 31.883 31.823 0.101 0.000 1.064 711 V HN 0.317 nan 8.190 nan 0.000 0.472 712 H N 3.384 122.443 119.070 -0.017 0.000 3.038 712 H HA -0.029 4.528 4.556 0.001 0.000 0.338 712 H C 0.898 176.109 175.328 -0.196 0.000 1.041 712 H CA -0.104 55.855 56.048 -0.147 0.000 1.394 712 H CB 0.444 30.025 29.762 -0.301 0.000 1.357 712 H HN 0.605 nan 8.280 nan 0.000 0.600 713 F N 2.101 121.872 119.950 -0.299 0.000 2.184 713 F HA -0.304 4.224 4.527 0.001 0.000 0.301 713 F C 2.558 178.080 175.800 -0.463 0.000 1.076 713 F CA 2.019 59.624 58.000 -0.659 0.000 1.295 713 F CB -0.135 38.656 39.000 -0.349 0.000 1.026 713 F HN 0.683 nan 8.300 nan 0.000 0.494 714 Q N 0.143 119.781 119.800 -0.270 0.000 2.156 714 Q HA -0.328 4.012 4.340 0.001 0.000 0.211 714 Q C 2.110 177.863 176.000 -0.411 0.000 0.995 714 Q CA 2.443 58.041 55.803 -0.343 0.000 0.877 714 Q CB -0.380 28.128 28.738 -0.383 0.000 0.920 714 Q HN 0.598 nan 8.270 nan 0.000 0.416 715 Q N -0.294 119.319 119.800 -0.311 0.000 2.061 715 Q HA -0.140 4.200 4.340 0.001 0.000 0.204 715 Q C 2.279 178.175 176.000 -0.174 0.000 0.984 715 Q CA 1.815 57.559 55.803 -0.099 0.000 0.846 715 Q CB -0.156 28.599 28.738 0.029 0.000 0.902 715 Q HN 0.348 nan 8.270 nan 0.000 0.421 716 S N 0.661 116.141 115.700 -0.368 0.000 2.406 716 S HA -0.005 4.465 4.470 0.001 0.000 0.228 716 S C 2.026 176.356 174.600 -0.449 0.000 1.020 716 S CA 0.714 58.691 58.200 -0.372 0.000 0.965 716 S CB -0.081 62.866 63.200 -0.421 0.000 0.798 716 S HN 0.468 nan 8.310 nan 0.000 0.488 717 A N 1.288 123.743 122.820 -0.609 0.000 1.972 717 A HA -0.106 4.214 4.320 0.001 0.000 0.219 717 A C 2.119 179.589 177.584 -0.190 0.000 1.169 717 A CA 1.038 52.851 52.037 -0.373 0.000 0.635 717 A CB -0.333 18.494 19.000 -0.289 0.000 0.810 717 A HN 0.355 nan 8.150 nan 0.000 0.446 718 Q N -0.485 119.217 119.800 -0.163 0.000 2.187 718 Q HA 0.032 4.373 4.340 0.001 0.000 0.199 718 Q C 2.109 178.052 176.000 -0.096 0.000 0.957 718 Q CA 0.837 56.599 55.803 -0.069 0.000 0.857 718 Q CB -0.254 28.518 28.738 0.056 0.000 0.929 718 Q HN 0.768 nan 8.270 nan 0.000 0.453 719 I N 1.208 121.694 120.570 -0.139 0.000 2.142 719 I HA -0.288 3.883 4.170 0.001 0.000 0.240 719 I C 2.578 178.526 176.117 -0.282 0.000 1.078 719 I CA 1.552 62.728 61.300 -0.207 0.000 1.343 719 I CB -0.507 37.375 38.000 -0.195 0.000 1.046 719 I HN 0.195 nan 8.210 nan 0.000 0.405 720 S N 0.946 116.503 115.700 -0.238 0.000 2.370 720 S HA -0.292 4.178 4.470 0.001 0.000 0.226 720 S C 2.035 176.603 174.600 -0.054 0.000 1.033 720 S CA 1.604 59.702 58.200 -0.171 0.000 1.011 720 S CB -0.478 62.783 63.200 0.102 0.000 0.852 720 S HN 0.375 nan 8.310 nan 0.000 0.457 721 K N 1.620 121.990 120.400 -0.050 0.000 2.097 721 K HA 0.060 4.381 4.320 0.001 0.000 0.206 721 K C 2.246 178.823 176.600 -0.039 0.000 1.049 721 K CA 1.113 57.389 56.287 -0.020 0.000 0.933 721 K CB -0.639 31.848 32.500 -0.023 0.000 0.717 721 K HN 0.468 nan 8.250 nan 0.000 0.442 722 A N 0.864 123.630 122.820 -0.089 0.000 1.930 722 A HA -0.057 4.264 4.320 0.001 0.000 0.217 722 A C 2.038 179.552 177.584 -0.115 0.000 1.175 722 A CA 1.030 53.010 52.037 -0.095 0.000 0.627 722 A CB -0.463 18.464 19.000 -0.121 0.000 0.815 722 A HN 0.298 nan 8.150 nan 0.000 0.443 723 L N -0.706 120.401 121.223 -0.194 0.000 2.056 723 L HA -0.128 4.213 4.340 0.001 0.000 0.207 723 L C 2.503 179.381 176.870 0.014 0.000 1.078 723 L CA 0.897 55.626 54.840 -0.184 0.000 0.749 723 L CB -0.570 41.219 42.059 -0.449 0.000 0.901 723 L HN 0.230 nan 8.230 nan 0.000 0.433 724 V N -0.142 119.818 119.914 0.076 0.000 2.343 724 V HA -0.285 3.836 4.120 0.001 0.000 0.247 724 V C 2.012 178.139 176.094 0.055 0.000 1.051 724 V CA 1.848 64.215 62.300 0.113 0.000 1.036 724 V CB -0.496 31.395 31.823 0.112 0.000 0.654 724 V HN 0.426 nan 8.190 nan 0.000 0.451 725 D N 0.263 120.677 120.400 0.024 0.000 2.263 725 D HA -0.105 4.536 4.640 0.001 0.000 0.208 725 D C 1.659 177.970 176.300 0.017 0.000 0.971 725 D CA 1.639 55.648 54.000 0.015 0.000 0.867 725 D CB -0.049 40.752 40.800 0.001 0.000 0.929 725 D HN 0.568 nan 8.370 nan 0.000 0.492 726 V N -4.009 115.916 119.914 0.018 0.000 3.376 726 V HA 0.524 4.645 4.120 0.001 0.000 0.313 726 V C 1.219 177.339 176.094 0.044 0.000 1.393 726 V CA 0.177 62.493 62.300 0.026 0.000 1.125 726 V CB 0.010 31.845 31.823 0.020 0.000 1.037 726 V HN 0.117 nan 8.190 nan 0.000 0.440 727 G N 0.339 109.172 108.800 0.055 0.000 2.221 727 G HA2 -0.191 3.769 3.960 0.001 0.000 0.265 727 G HA3 -0.191 3.769 3.960 0.001 0.000 0.265 727 G C -0.008 174.948 174.900 0.093 0.000 1.041 727 G CA 0.442 45.583 45.100 0.068 0.000 0.807 727 G HN 1.479 nan 8.290 nan 0.000 0.502 728 V N -0.137 119.849 119.914 0.119 0.000 2.394 728 V HA 0.666 4.787 4.120 0.001 0.000 0.282 728 V C 0.194 176.450 176.094 0.270 0.000 1.031 728 V CA -0.451 61.947 62.300 0.164 0.000 0.881 728 V CB 1.653 33.562 31.823 0.143 0.000 0.982 728 V HN 0.366 nan 8.190 nan 0.000 0.451 729 D N 5.406 125.951 120.400 0.242 0.000 2.313 729 D HA 0.617 5.257 4.640 0.001 0.000 0.247 729 D C -0.549 175.987 176.300 0.392 0.000 1.094 729 D CA 0.226 54.364 54.000 0.230 0.000 0.925 729 D CB 0.981 41.852 40.800 0.118 0.000 1.188 729 D HN 0.603 nan 8.370 nan 0.000 0.430 730 F N -0.690 119.333 119.950 0.121 0.000 2.858 730 F HA 0.428 4.956 4.527 0.001 0.000 0.319 730 F C -1.632 174.222 175.800 0.091 0.000 1.166 730 F CA -1.189 56.906 58.000 0.159 0.000 0.899 730 F CB 0.737 39.867 39.000 0.217 0.000 1.332 730 F HN 0.084 nan 8.300 nan 0.000 0.461 731 Q N 1.510 121.376 119.800 0.110 0.000 2.235 731 Q HA 0.832 5.173 4.340 0.001 0.000 0.256 731 Q C -0.767 175.217 176.000 -0.027 0.000 0.951 731 Q CA -0.693 55.080 55.803 -0.050 0.000 0.890 731 Q CB 1.927 30.656 28.738 -0.014 0.000 1.279 731 Q HN 1.049 nan 8.270 nan 0.000 0.444 732 A N 1.518 124.294 122.820 -0.074 0.000 2.587 732 A HA 0.843 5.164 4.320 0.001 0.000 0.293 732 A C -1.419 176.111 177.584 -0.090 0.000 1.087 732 A CA -0.571 51.462 52.037 -0.006 0.000 0.692 732 A CB 1.971 21.034 19.000 0.104 0.000 1.291 732 A HN 0.610 nan 8.150 nan 0.000 0.407 733 M N 1.284 120.814 119.600 -0.117 0.000 2.274 733 M HA 0.584 5.065 4.480 0.001 0.000 0.272 733 M C -2.023 174.123 176.300 -0.256 0.000 1.053 733 M CA -0.499 54.571 55.300 -0.383 0.000 0.978 733 M CB 1.110 33.389 32.600 -0.536 0.000 1.836 733 M HN 1.003 nan 8.290 nan 0.000 0.484 734 W N 4.147 125.265 121.300 -0.304 0.000 2.578 734 W HA 0.790 5.451 4.660 0.001 0.000 0.346 734 W C -2.014 174.213 176.519 -0.486 0.000 1.075 734 W CA -0.906 56.340 57.345 -0.166 0.000 1.233 734 W CB 0.440 29.844 29.460 -0.094 0.000 1.358 734 W HN 0.625 nan 8.180 nan 0.000 0.574 735 Y N 2.166 122.565 120.300 0.166 0.000 2.376 735 Y HA 0.291 4.842 4.550 0.001 0.000 0.326 735 Y C 0.467 176.458 175.900 0.152 0.000 0.970 735 Y CA -1.049 57.066 58.100 0.025 0.000 1.248 735 Y CB 1.683 40.144 38.460 0.002 0.000 1.117 735 Y HN 0.413 nan 8.280 nan 0.000 0.476 736 T N 4.586 119.295 114.554 0.257 0.000 2.871 736 T HA -0.045 4.306 4.350 0.001 0.000 0.296 736 T C 0.195 174.961 174.700 0.111 0.000 0.998 736 T CA 0.682 62.886 62.100 0.172 0.000 1.162 736 T CB -0.111 68.802 68.868 0.075 0.000 0.947 736 T HN 0.729 nan 8.240 nan 0.000 0.536 737 D N 0.777 121.217 120.400 0.067 0.000 3.077 737 D HA -0.125 4.516 4.640 0.001 0.000 0.217 737 D C 0.285 176.703 176.300 0.196 0.000 1.162 737 D CA 1.150 55.129 54.000 -0.035 0.000 0.943 737 D CB -0.375 40.197 40.800 -0.380 0.000 1.122 737 D HN 0.552 nan 8.370 nan 0.000 0.413 738 E N 0.843 121.181 120.200 0.229 0.000 2.313 738 E HA 0.355 4.706 4.350 0.001 0.000 0.272 738 E C 0.716 177.497 176.600 0.302 0.000 1.038 738 E CA -0.285 56.271 56.400 0.260 0.000 0.863 738 E CB 1.246 31.089 29.700 0.238 0.000 1.060 738 E HN 0.346 nan 8.360 nan 0.000 0.402 739 D N -0.663 119.928 120.400 0.317 0.000 2.560 739 D HA 0.018 4.659 4.640 0.001 0.000 0.277 739 D C 1.055 177.584 176.300 0.381 0.000 1.194 739 D CA -0.262 53.948 54.000 0.351 0.000 1.092 739 D CB -0.169 40.863 40.800 0.386 0.000 1.169 739 D HN 0.406 nan 8.370 nan 0.000 0.607 740 H N -1.540 117.710 119.070 0.300 0.000 2.457 740 H HA 0.049 4.606 4.556 0.001 0.000 0.297 740 H C 1.878 177.450 175.328 0.406 0.000 1.092 740 H CA 2.254 58.498 56.048 0.326 0.000 1.309 740 H CB -0.355 29.584 29.762 0.295 0.000 1.382 740 H HN 0.497 nan 8.280 nan 0.000 0.535 741 G N -0.368 108.619 108.800 0.311 0.000 2.683 741 G HA2 0.003 3.964 3.960 0.001 0.000 0.213 741 G HA3 0.003 3.964 3.960 0.001 0.000 0.213 741 G C 0.722 175.789 174.900 0.278 0.000 1.142 741 G CA 0.293 45.500 45.100 0.178 0.000 0.793 741 G HN 0.524 nan 8.290 nan 0.000 0.534 742 I N 0.134 120.897 120.570 0.321 0.000 5.158 742 I HA -0.338 3.833 4.170 0.001 0.000 0.126 742 I C 1.621 177.863 176.117 0.208 0.000 1.344 742 I CA 0.194 61.643 61.300 0.248 0.000 2.637 742 I CB -1.219 36.924 38.000 0.239 0.000 2.338 742 I HN 0.273 nan 8.210 nan 0.000 0.320 743 A N 0.829 123.742 122.820 0.154 0.000 2.348 743 A HA 0.250 4.571 4.320 0.001 0.000 0.224 743 A C 1.236 178.861 177.584 0.069 0.000 1.227 743 A CA 0.561 52.649 52.037 0.085 0.000 0.885 743 A CB 0.087 19.098 19.000 0.020 0.000 0.933 743 A HN 0.641 nan 8.150 nan 0.000 0.506 744 S N -0.241 115.516 115.700 0.094 0.000 2.566 744 S HA 0.126 4.597 4.470 0.001 0.000 0.280 744 S C 1.276 175.926 174.600 0.083 0.000 1.343 744 S CA 0.345 58.595 58.200 0.083 0.000 1.036 744 S CB 0.973 64.230 63.200 0.093 0.000 0.866 744 S HN 0.606 nan 8.310 nan 0.000 0.526 745 S N 2.169 117.907 115.700 0.065 0.000 2.359 745 S HA -0.211 4.260 4.470 0.001 0.000 0.223 745 S C 2.107 176.762 174.600 0.092 0.000 1.039 745 S CA 2.415 60.659 58.200 0.072 0.000 1.042 745 S CB -1.743 61.482 63.200 0.042 0.000 0.915 745 S HN 1.087 nan 8.310 nan 0.000 0.439 746 T N -0.115 114.479 114.554 0.068 0.000 2.777 746 T HA 0.151 4.502 4.350 0.001 0.000 0.266 746 T C 2.012 176.750 174.700 0.063 0.000 1.040 746 T CA 1.420 63.559 62.100 0.065 0.000 1.141 746 T CB -1.034 67.867 68.868 0.054 0.000 0.868 746 T HN 0.524 nan 8.240 nan 0.000 0.444 747 A N 1.586 124.422 122.820 0.026 0.000 1.902 747 A HA -0.112 4.209 4.320 0.001 0.000 0.217 747 A C 2.216 179.721 177.584 -0.131 0.000 1.181 747 A CA 2.098 54.066 52.037 -0.115 0.000 0.623 747 A CB -1.297 17.613 19.000 -0.151 0.000 0.818 747 A HN 0.758 nan 8.150 nan 0.000 0.443 748 H N -0.070 118.962 119.070 -0.062 0.000 2.290 748 H HA -0.160 4.397 4.556 0.001 0.000 0.298 748 H C 2.106 177.479 175.328 0.074 0.000 1.087 748 H CA 2.411 58.479 56.048 0.033 0.000 1.291 748 H CB -0.285 29.513 29.762 0.061 0.000 1.369 748 H HN 0.586 nan 8.280 nan 0.000 0.492 749 Q N -1.052 118.704 119.800 -0.073 0.000 2.124 749 Q HA -0.191 4.150 4.340 0.001 0.000 0.202 749 Q C 2.232 178.183 176.000 -0.081 0.000 0.977 749 Q CA 1.330 57.056 55.803 -0.129 0.000 0.850 749 Q CB -0.197 28.516 28.738 -0.041 0.000 0.901 749 Q HN 0.640 nan 8.270 nan 0.000 0.429 750 H N 0.682 119.691 119.070 -0.101 0.000 2.357 750 H HA -0.067 4.489 4.556 0.001 0.000 0.301 750 H C 2.025 177.318 175.328 -0.058 0.000 1.082 750 H CA 1.293 57.316 56.048 -0.041 0.000 1.342 750 H CB 0.014 29.803 29.762 0.045 0.000 1.389 750 H HN 0.282 nan 8.280 nan 0.000 0.511 751 I N 0.032 120.541 120.570 -0.102 0.000 2.202 751 I HA -0.314 3.856 4.170 0.001 0.000 0.242 751 I C 1.803 177.694 176.117 -0.377 0.000 1.091 751 I CA 1.203 62.377 61.300 -0.209 0.000 1.368 751 I CB -0.285 37.416 38.000 -0.499 0.000 1.058 751 I HN 0.099 nan 8.210 nan 0.000 0.410 752 Y N 0.950 121.032 120.300 -0.363 0.000 2.352 752 Y HA -0.200 4.351 4.550 0.001 0.000 0.292 752 Y C 2.691 178.366 175.900 -0.374 0.000 1.136 752 Y CA 1.771 59.538 58.100 -0.554 0.000 1.227 752 Y CB -0.889 37.240 38.460 -0.551 0.000 0.991 752 Y HN 0.177 nan 8.280 nan 0.000 0.545 753 T N -1.770 112.682 114.554 -0.169 0.000 2.770 753 T HA -0.208 4.143 4.350 0.001 0.000 0.263 753 T C 1.588 176.125 174.700 -0.271 0.000 1.039 753 T CA 1.773 63.727 62.100 -0.243 0.000 1.142 753 T CB -0.432 68.292 68.868 -0.240 0.000 0.868 753 T HN 0.396 nan 8.240 nan 0.000 0.435 754 H N 0.803 119.730 119.070 -0.237 0.000 2.353 754 H HA 0.104 4.661 4.556 0.001 0.000 0.300 754 H C 2.125 177.436 175.328 -0.029 0.000 1.090 754 H CA 1.572 57.571 56.048 -0.083 0.000 1.327 754 H CB -0.250 29.479 29.762 -0.055 0.000 1.383 754 H HN 0.260 nan 8.280 nan 0.000 0.508 755 M N -0.991 118.544 119.600 -0.108 0.000 2.229 755 M HA -0.137 4.344 4.480 0.001 0.000 0.264 755 M C 2.405 178.819 176.300 0.189 0.000 1.063 755 M CA 1.316 56.562 55.300 -0.089 0.000 1.114 755 M CB 0.129 32.460 32.600 -0.448 0.000 1.387 755 M HN 0.182 nan 8.290 nan 0.000 0.420 756 S N -0.603 115.215 115.700 0.197 0.000 2.356 756 S HA -0.153 4.318 4.470 0.001 0.000 0.223 756 S C 1.695 176.393 174.600 0.163 0.000 1.032 756 S CA 1.027 59.433 58.200 0.343 0.000 1.005 756 S CB -0.542 62.819 63.200 0.268 0.000 0.867 756 S HN 0.470 nan 8.310 nan 0.000 0.449 757 H N -0.148 118.987 119.070 0.109 0.000 2.353 757 H HA -0.039 4.517 4.556 0.001 0.000 0.300 757 H C 1.968 177.310 175.328 0.022 0.000 1.090 757 H CA 1.250 57.320 56.048 0.038 0.000 1.327 757 H CB -0.774 28.971 29.762 -0.028 0.000 1.383 757 H HN 0.436 nan 8.280 nan 0.000 0.508 758 F N 1.304 121.243 119.950 -0.018 0.000 2.102 758 F HA -0.184 4.344 4.527 0.001 0.000 0.298 758 F C 2.299 178.055 175.800 -0.075 0.000 1.105 758 F CA 0.946 58.903 58.000 -0.072 0.000 1.239 758 F CB -0.245 38.683 39.000 -0.120 0.000 0.991 758 F HN -0.039 nan 8.300 nan 0.000 0.474 759 I N 0.513 121.105 120.570 0.037 0.000 2.252 759 I HA -0.257 3.914 4.170 0.001 0.000 0.245 759 I C 2.220 178.130 176.117 -0.344 0.000 1.102 759 I CA 1.435 62.580 61.300 -0.258 0.000 1.385 759 I CB -1.316 36.596 38.000 -0.148 0.000 1.064 759 I HN 0.204 nan 8.210 nan 0.000 0.414 760 K N 0.306 120.657 120.400 -0.081 0.000 2.057 760 K HA -0.225 4.096 4.320 0.001 0.000 0.207 760 K C 2.133 178.723 176.600 -0.016 0.000 1.049 760 K CA 1.162 57.457 56.287 0.013 0.000 0.931 760 K CB -0.224 32.339 32.500 0.105 0.000 0.714 760 K HN 0.313 nan 8.250 nan 0.000 0.440 761 Q N 1.269 121.021 119.800 -0.081 0.000 2.079 761 Q HA -0.198 4.142 4.340 0.001 0.000 0.200 761 Q C 2.256 178.161 176.000 -0.159 0.000 0.974 761 Q CA 1.737 57.478 55.803 -0.104 0.000 0.840 761 Q CB -0.630 28.031 28.738 -0.129 0.000 0.898 761 Q HN 0.416 nan 8.270 nan 0.000 0.430 762 c N 0.317 118.713 118.600 -0.340 0.000 2.411 762 c HA -0.090 4.481 4.570 0.001 0.000 0.279 762 c C 2.080 176.190 174.090 0.033 0.000 1.288 762 c CA 0.483 56.631 56.329 -0.301 0.000 1.764 762 c CB -1.339 40.836 42.510 -0.559 0.000 1.974 762 c HN 0.520 nan 8.230 nan 0.000 0.498 763 F N 1.480 121.395 119.950 -0.057 0.000 2.727 763 F HA 0.262 4.790 4.527 0.001 0.000 0.302 763 F C 1.611 177.400 175.800 -0.019 0.000 1.097 763 F CA 0.298 58.285 58.000 -0.022 0.000 1.330 763 F CB -1.162 37.834 39.000 -0.006 0.000 1.084 763 F HN 0.195 nan 8.300 nan 0.000 0.578 764 S N 1.000 116.787 115.700 0.145 0.000 3.682 764 S HA -0.198 4.273 4.470 0.001 0.000 0.354 764 S C -0.061 174.589 174.600 0.083 0.000 1.034 764 S CA 0.109 58.357 58.200 0.080 0.000 1.084 764 S CB -2.151 61.084 63.200 0.058 0.000 0.903 764 S HN 0.234 nan 8.310 nan 0.000 0.470 765 L N 0.735 122.022 121.223 0.106 0.000 2.295 765 L HA 0.472 4.813 4.340 0.001 0.000 0.285 765 L C -1.386 175.532 176.870 0.079 0.000 1.035 765 L CA -2.245 52.653 54.840 0.097 0.000 0.806 765 L CB 0.523 42.662 42.059 0.134 0.000 1.214 765 L HN 0.021 nan 8.230 nan 0.000 0.426 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.138 63.100 0.063 0.000 0.800 766 P CB 0.000 31.732 31.700 0.053 0.000 0.726