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 2oph_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 0.000 174.736 174.700 0.061 0.000 1.109 39 T CA 0.000 62.128 62.100 0.047 0.000 1.349 39 T CB 0.000 68.890 68.868 0.036 0.000 0.612 40 R N 3.016 123.560 120.500 0.072 0.000 2.707 40 R HA 0.541 4.882 4.340 0.001 0.000 0.270 40 R C 0.406 176.761 176.300 0.092 0.000 1.083 40 R CA -0.696 55.452 56.100 0.079 0.000 1.182 40 R CB 0.222 30.570 30.300 0.080 0.000 1.084 40 R HN 0.526 nan 8.270 nan 0.000 0.528 41 K N 0.223 120.683 120.400 0.099 0.000 2.156 41 K HA 0.120 4.441 4.320 0.001 0.000 0.242 41 K C -0.120 176.556 176.600 0.127 0.000 1.033 41 K CA -0.372 55.983 56.287 0.114 0.000 0.878 41 K CB 0.344 32.922 32.500 0.129 0.000 1.057 41 K HN 0.811 nan 8.250 nan 0.000 0.505 42 T N -2.705 111.935 114.554 0.143 0.000 2.927 42 T HA 0.196 4.547 4.350 0.001 0.000 0.286 42 T C -0.990 173.850 174.700 0.232 0.000 1.040 42 T CA -0.869 61.329 62.100 0.163 0.000 1.010 42 T CB 0.685 69.641 68.868 0.148 0.000 1.177 42 T HN 0.534 nan 8.240 nan 0.000 0.546 43 Y N 2.689 123.068 120.300 0.132 0.000 2.539 43 Y HA 0.390 4.941 4.550 0.001 0.000 0.352 43 Y C 1.015 177.086 175.900 0.285 0.000 1.004 43 Y CA -0.295 57.926 58.100 0.202 0.000 1.278 43 Y CB -0.152 38.386 38.460 0.129 0.000 1.136 43 Y HN 1.026 nan 8.280 nan 0.000 0.528 44 T N 2.224 116.802 114.554 0.041 0.000 2.824 44 T HA 0.106 4.456 4.350 0.001 0.000 0.277 44 T C 0.987 175.621 174.700 -0.109 0.000 0.975 44 T CA -0.609 61.561 62.100 0.116 0.000 0.966 44 T CB 1.084 69.971 68.868 0.031 0.000 1.054 44 T HN 0.688 nan 8.240 nan 0.000 0.533 45 L N 0.753 121.725 121.223 -0.418 0.000 2.093 45 L HA 0.061 4.402 4.340 0.001 0.000 0.208 45 L C 2.569 179.281 176.870 -0.264 0.000 1.085 45 L CA 2.055 56.480 54.840 -0.691 0.000 0.755 45 L CB -1.454 40.063 42.059 -0.903 0.000 0.904 45 L HN 0.940 nan 8.230 nan 0.000 0.435 46 T N -0.523 113.910 114.554 -0.201 0.000 2.821 46 T HA -0.137 4.214 4.350 0.001 0.000 0.267 46 T C 1.449 176.050 174.700 -0.165 0.000 1.046 46 T CA 1.375 63.386 62.100 -0.147 0.000 1.139 46 T CB -0.354 68.451 68.868 -0.105 0.000 0.871 46 T HN 0.393 nan 8.240 nan 0.000 0.454 47 D N 0.254 120.518 120.400 -0.228 0.000 2.117 47 D HA -0.086 4.555 4.640 0.001 0.000 0.197 47 D C 1.733 177.913 176.300 -0.200 0.000 0.987 47 D CA 0.985 54.806 54.000 -0.297 0.000 0.829 47 D CB -0.374 40.138 40.800 -0.480 0.000 0.961 47 D HN 0.417 nan 8.370 nan 0.000 0.460 48 Y N 1.579 121.696 120.300 -0.304 0.000 2.163 48 Y HA -0.103 4.448 4.550 0.001 0.000 0.288 48 Y C 2.161 178.070 175.900 0.015 0.000 1.136 48 Y CA 1.215 59.319 58.100 0.007 0.000 1.147 48 Y CB -0.595 37.937 38.460 0.120 0.000 0.987 48 Y HN -0.105 nan 8.280 nan 0.000 0.509 49 L N 0.002 121.045 121.223 -0.301 0.000 2.141 49 L HA -0.164 4.177 4.340 0.001 0.000 0.209 49 L C 1.864 178.625 176.870 -0.182 0.000 1.094 49 L CA 1.293 55.942 54.840 -0.318 0.000 0.763 49 L CB -0.442 41.500 42.059 -0.196 0.000 0.908 49 L HN 0.078 nan 8.230 nan 0.000 0.437 50 K N -0.352 119.962 120.400 -0.143 0.000 2.374 50 K HA 0.119 4.440 4.320 0.001 0.000 0.196 50 K C 0.140 176.684 176.600 -0.094 0.000 1.023 50 K CA -0.082 56.142 56.287 -0.105 0.000 1.103 50 K CB -0.004 32.436 32.500 -0.099 0.000 0.848 50 K HN 0.207 nan 8.250 nan 0.000 0.528 51 N N 1.189 119.840 118.700 -0.082 0.000 2.740 51 N HA -0.153 4.587 4.740 0.001 0.000 0.248 51 N C 0.375 175.860 175.510 -0.041 0.000 1.062 51 N CA 1.023 54.063 53.050 -0.016 0.000 0.704 51 N CB -1.568 36.907 38.487 -0.019 0.000 0.968 51 N HN 0.170 nan 8.380 nan 0.000 0.547 52 T N -1.109 113.360 114.554 -0.141 0.000 2.759 52 T HA -0.178 4.173 4.350 0.001 0.000 0.269 52 T C 0.498 174.975 174.700 -0.371 0.000 1.042 52 T CA 1.366 63.264 62.100 -0.336 0.000 1.140 52 T CB -0.125 68.382 68.868 -0.600 0.000 0.864 52 T HN 0.346 nan 8.240 nan 0.000 0.455 53 Y N 1.676 122.065 120.300 0.148 0.000 2.491 53 Y HA 0.483 5.034 4.550 0.001 0.000 0.334 53 Y C 0.411 176.419 175.900 0.180 0.000 0.969 53 Y CA -1.125 57.089 58.100 0.189 0.000 1.241 53 Y CB 0.388 39.027 38.460 0.300 0.000 1.105 53 Y HN -0.138 nan 8.280 nan 0.000 0.503 54 R N 2.607 123.247 120.500 0.233 0.000 2.312 54 R HA 0.465 4.806 4.340 0.001 0.000 0.311 54 R C -1.112 175.295 176.300 0.177 0.000 1.004 54 R CA -1.078 55.128 56.100 0.176 0.000 0.902 54 R CB 1.096 31.457 30.300 0.101 0.000 1.073 54 R HN 0.427 nan 8.270 nan 0.000 0.457 55 L N 3.444 124.776 121.223 0.181 0.000 2.367 55 L HA 0.187 4.528 4.340 0.001 0.000 0.275 55 L C 0.369 177.317 176.870 0.129 0.000 1.129 55 L CA 0.555 55.499 54.840 0.174 0.000 0.839 55 L CB 0.524 42.709 42.059 0.210 0.000 1.133 55 L HN 0.348 nan 8.230 nan 0.000 0.453 56 K N 2.942 123.409 120.400 0.112 0.000 2.174 56 K HA 0.591 4.911 4.320 0.001 0.000 0.275 56 K C -0.810 175.814 176.600 0.039 0.000 1.015 56 K CA -0.647 55.681 56.287 0.068 0.000 0.933 56 K CB 1.141 33.676 32.500 0.060 0.000 1.025 56 K HN 0.230 nan 8.250 nan 0.000 0.463 57 L N 1.402 122.586 121.223 -0.065 0.000 2.211 57 L HA 0.462 4.802 4.340 0.001 0.000 0.259 57 L C -1.134 175.477 176.870 -0.431 0.000 1.031 57 L CA -0.647 54.016 54.840 -0.295 0.000 0.877 57 L CB 0.582 42.594 42.059 -0.080 0.000 1.457 57 L HN 0.515 nan 8.230 nan 0.000 0.466 58 Y N -0.112 119.703 120.300 -0.809 0.000 2.489 58 Y HA 0.401 4.951 4.550 0.001 0.000 0.339 58 Y C -0.887 174.901 175.900 -0.187 0.000 1.135 58 Y CA -0.384 57.452 58.100 -0.440 0.000 1.321 58 Y CB 1.130 39.161 38.460 -0.716 0.000 1.098 58 Y HN 0.439 nan 8.280 nan 0.000 0.590 59 S N 5.781 121.437 115.700 -0.073 0.000 2.411 59 S HA 0.542 5.012 4.470 0.001 0.000 0.294 59 S C -0.552 174.014 174.600 -0.055 0.000 1.115 59 S CA -0.552 57.629 58.200 -0.032 0.000 1.071 59 S CB -0.058 63.123 63.200 -0.032 0.000 0.967 59 S HN 0.545 nan 8.310 nan 0.000 0.488 60 L N 1.623 122.771 121.223 -0.124 0.000 2.304 60 L HA 0.802 5.143 4.340 0.001 0.000 0.268 60 L C -0.278 176.481 176.870 -0.185 0.000 1.010 60 L CA -0.967 53.742 54.840 -0.219 0.000 0.813 60 L CB 0.762 42.375 42.059 -0.743 0.000 1.315 60 L HN 0.352 nan 8.230 nan 0.000 0.445 61 R N 0.280 120.707 120.500 -0.121 0.000 2.473 61 R HA 0.365 4.706 4.340 0.001 0.000 0.303 61 R C -1.795 174.529 176.300 0.040 0.000 1.002 61 R CA -0.284 55.809 56.100 -0.012 0.000 0.884 61 R CB 1.117 31.460 30.300 0.072 0.000 1.173 61 R HN 0.660 nan 8.270 nan 0.000 0.464 62 W N 4.414 125.818 121.300 0.174 0.000 2.308 62 W HA 0.132 4.792 4.660 0.001 0.000 0.324 62 W C 1.516 178.129 176.519 0.157 0.000 1.387 62 W CA -0.432 57.032 57.345 0.198 0.000 1.250 62 W CB 0.481 30.047 29.460 0.177 0.000 1.257 62 W HN 0.653 nan 8.180 nan 0.000 0.554 63 I N 0.430 121.238 120.570 0.395 0.000 4.139 63 I HA 0.306 4.477 4.170 0.001 0.000 0.335 63 I C 0.667 176.927 176.117 0.238 0.000 1.327 63 I CA -0.101 61.342 61.300 0.240 0.000 1.112 63 I CB -0.169 37.911 38.000 0.134 0.000 1.058 63 I HN 0.274 nan 8.210 nan 0.000 0.396 64 S N -0.477 115.412 115.700 0.315 0.000 2.755 64 S HA 0.249 4.720 4.470 0.001 0.000 0.286 64 S C -0.245 174.477 174.600 0.204 0.000 1.207 64 S CA -0.212 58.137 58.200 0.249 0.000 0.892 64 S CB 1.343 64.710 63.200 0.278 0.000 1.240 64 S HN 0.057 nan 8.310 nan 0.000 0.525 65 D N -0.803 119.642 120.400 0.075 0.000 2.340 65 D HA 0.227 4.868 4.640 0.001 0.000 0.220 65 D C 0.971 177.086 176.300 -0.307 0.000 1.039 65 D CA 0.764 54.643 54.000 -0.201 0.000 0.866 65 D CB 0.020 40.619 40.800 -0.336 0.000 0.913 65 D HN 0.578 nan 8.370 nan 0.000 0.523 66 H N -1.419 117.816 119.070 0.276 0.000 3.457 66 H HA 0.348 4.905 4.556 0.001 0.000 0.255 66 H C 0.054 175.523 175.328 0.236 0.000 1.082 66 H CA 0.020 56.222 56.048 0.257 0.000 1.189 66 H CB 1.194 31.073 29.762 0.194 0.000 1.511 66 H HN 0.141 nan 8.280 nan 0.000 0.527 67 E N 0.805 121.267 120.200 0.436 0.000 2.392 67 E HA 0.406 4.757 4.350 0.001 0.000 0.269 67 E C -1.456 175.377 176.600 0.389 0.000 0.924 67 E CA -1.048 55.532 56.400 0.300 0.000 0.784 67 E CB 3.238 33.042 29.700 0.174 0.000 1.292 67 E HN 0.097 nan 8.360 nan 0.000 0.447 68 Y N -1.317 119.047 120.300 0.107 0.000 2.588 68 Y HA 0.619 5.169 4.550 0.001 0.000 0.343 68 Y C -1.735 174.178 175.900 0.022 0.000 1.065 68 Y CA -1.336 56.719 58.100 -0.075 0.000 1.038 68 Y CB 0.791 38.874 38.460 -0.628 0.000 1.297 68 Y HN 0.335 nan 8.280 nan 0.000 0.467 69 L N 2.990 124.371 121.223 0.262 0.000 2.322 69 L HA 0.511 4.852 4.340 0.001 0.000 0.279 69 L C -1.359 175.717 176.870 0.343 0.000 1.036 69 L CA -0.967 54.004 54.840 0.217 0.000 0.807 69 L CB 1.549 43.649 42.059 0.070 0.000 1.226 69 L HN 0.771 nan 8.230 nan 0.000 0.433 70 Y N 2.667 123.072 120.300 0.175 0.000 2.396 70 Y HA 0.305 4.856 4.550 0.001 0.000 0.332 70 Y C -0.658 175.268 175.900 0.044 0.000 1.034 70 Y CA -1.169 56.949 58.100 0.030 0.000 1.057 70 Y CB 1.633 40.063 38.460 -0.049 0.000 1.220 70 Y HN 0.430 nan 8.280 nan 0.000 0.440 71 K N 5.162 125.257 120.400 -0.507 0.000 2.285 71 K HA 0.294 4.615 4.320 0.001 0.000 0.286 71 K C -1.083 175.198 176.600 -0.531 0.000 1.072 71 K CA -0.328 55.737 56.287 -0.369 0.000 0.913 71 K CB 0.692 33.064 32.500 -0.212 0.000 1.067 71 K HN 0.838 nan 8.250 nan 0.000 0.479 72 Q N 3.359 123.018 119.800 -0.235 0.000 2.304 72 Q HA 0.121 4.462 4.340 0.001 0.000 0.270 72 Q C -1.151 174.818 176.000 -0.053 0.000 1.035 72 Q CA -0.264 55.466 55.803 -0.121 0.000 0.781 72 Q CB 1.272 30.058 28.738 0.080 0.000 1.261 72 Q HN 0.704 nan 8.270 nan 0.000 0.444 73 E N 2.951 123.123 120.200 -0.047 0.000 2.791 73 E HA -0.365 3.986 4.350 0.001 0.000 0.271 73 E C -0.464 176.111 176.600 -0.042 0.000 1.044 73 E CA 0.592 56.974 56.400 -0.029 0.000 0.814 73 E CB -1.070 28.625 29.700 -0.009 0.000 1.400 73 E HN 0.906 nan 8.360 nan 0.000 0.423 74 N N -0.887 117.775 118.700 -0.064 0.000 2.800 74 N HA -0.158 4.583 4.740 0.001 0.000 0.250 74 N C -0.711 174.756 175.510 -0.072 0.000 1.078 74 N CA 1.218 54.230 53.050 -0.063 0.000 0.804 74 N CB -0.810 37.653 38.487 -0.040 0.000 1.135 74 N HN 0.391 nan 8.380 nan 0.000 0.565 75 N N 0.477 119.133 118.700 -0.073 0.000 2.443 75 N HA 0.502 5.242 4.740 0.001 0.000 0.293 75 N C 0.048 175.512 175.510 -0.075 0.000 1.159 75 N CA -0.307 52.705 53.050 -0.064 0.000 0.904 75 N CB 1.449 39.916 38.487 -0.034 0.000 1.214 75 N HN 0.063 nan 8.380 nan 0.000 0.513 76 I N 2.277 122.815 120.570 -0.053 0.000 2.355 76 I HA 0.320 4.491 4.170 0.001 0.000 0.288 76 I C -0.336 175.833 176.117 0.087 0.000 0.999 76 I CA -0.453 60.828 61.300 -0.033 0.000 1.163 76 I CB 0.977 38.907 38.000 -0.116 0.000 1.316 76 I HN 0.172 nan 8.210 nan 0.000 0.454 77 L N 6.662 127.957 121.223 0.120 0.000 2.334 77 L HA 0.631 4.972 4.340 0.001 0.000 0.272 77 L C -0.351 176.604 176.870 0.141 0.000 1.020 77 L CA -1.018 53.889 54.840 0.112 0.000 0.812 77 L CB 2.209 44.333 42.059 0.107 0.000 1.264 77 L HN 0.300 nan 8.230 nan 0.000 0.439 78 V N 2.195 122.120 119.914 0.019 0.000 2.417 78 V HA 0.520 4.641 4.120 0.001 0.000 0.291 78 V C -1.012 174.970 176.094 -0.187 0.000 1.024 78 V CA -0.217 62.087 62.300 0.007 0.000 0.861 78 V CB 1.377 33.247 31.823 0.079 0.000 0.985 78 V HN 0.476 nan 8.190 nan 0.000 0.436 79 F N 5.291 124.999 119.950 -0.402 0.000 2.480 79 F HA 0.502 5.030 4.527 0.001 0.000 0.329 79 F C 0.515 176.046 175.800 -0.448 0.000 1.091 79 F CA -0.510 57.164 58.000 -0.543 0.000 0.972 79 F CB 1.719 40.043 39.000 -1.125 0.000 1.150 79 F HN 0.530 nan 8.300 nan 0.000 0.467 80 N N 2.168 120.820 118.700 -0.080 0.000 2.439 80 N HA 0.228 4.969 4.740 0.001 0.000 0.249 80 N C 0.464 175.936 175.510 -0.062 0.000 1.003 80 N CA 0.085 53.122 53.050 -0.021 0.000 0.942 80 N CB 1.746 40.270 38.487 0.062 0.000 1.115 80 N HN 0.816 nan 8.380 nan 0.000 0.505 81 A N 3.686 126.422 122.820 -0.141 0.000 1.940 81 A HA -0.193 4.128 4.320 0.001 0.000 0.219 81 A C 1.879 179.230 177.584 -0.389 0.000 1.176 81 A CA 1.522 53.390 52.037 -0.282 0.000 0.631 81 A CB -0.401 18.220 19.000 -0.631 0.000 0.814 81 A HN 0.769 nan 8.150 nan 0.000 0.446 82 E N -0.839 119.114 120.200 -0.412 0.000 2.051 82 E HA -0.158 4.193 4.350 0.001 0.000 0.192 82 E C 1.381 177.657 176.600 -0.539 0.000 0.991 82 E CA 1.812 57.950 56.400 -0.435 0.000 0.799 82 E CB -0.378 28.998 29.700 -0.538 0.000 0.748 82 E HN 0.764 nan 8.360 nan 0.000 0.449 83 Y N -2.325 117.982 120.300 0.012 0.000 2.462 83 Y HA 0.331 4.881 4.550 0.001 0.000 0.253 83 Y C 1.613 177.523 175.900 0.016 0.000 1.095 83 Y CA 0.121 58.229 58.100 0.014 0.000 1.283 83 Y CB 1.072 39.538 38.460 0.010 0.000 1.138 83 Y HN 0.198 nan 8.280 nan 0.000 0.522 84 G N 0.955 109.837 108.800 0.136 0.000 2.176 84 G HA2 -0.304 3.656 3.960 0.001 0.000 0.253 84 G HA3 -0.304 3.656 3.960 0.001 0.000 0.253 84 G C -0.033 174.968 174.900 0.167 0.000 0.979 84 G CA 0.128 45.328 45.100 0.166 0.000 0.641 84 G HN 0.436 nan 8.290 nan 0.000 0.530 85 N N 0.689 119.443 118.700 0.090 0.000 2.503 85 N HA 0.549 5.290 4.740 0.001 0.000 0.267 85 N C 0.108 175.495 175.510 -0.206 0.000 1.214 85 N CA 0.765 53.796 53.050 -0.032 0.000 0.959 85 N CB 1.566 40.045 38.487 -0.014 0.000 1.142 85 N HN 0.998 nan 8.380 nan 0.000 0.455 86 S N -0.398 115.092 115.700 -0.351 0.000 2.685 86 S HA 0.744 5.215 4.470 0.001 0.000 0.282 86 S C -1.019 173.386 174.600 -0.325 0.000 1.159 86 S CA -0.818 57.050 58.200 -0.554 0.000 0.833 86 S CB 1.503 63.903 63.200 -1.334 0.000 1.151 86 S HN 0.641 nan 8.310 nan 0.000 0.485 87 S N -0.161 115.375 115.700 -0.274 0.000 2.618 87 S HA 0.645 5.116 4.470 0.001 0.000 0.277 87 S C -1.032 173.507 174.600 -0.102 0.000 1.138 87 S CA -0.743 57.369 58.200 -0.147 0.000 0.844 87 S CB 1.600 64.746 63.200 -0.090 0.000 1.127 87 S HN 0.780 nan 8.310 nan 0.000 0.474 88 V N 2.544 122.418 119.914 -0.066 0.000 2.530 88 V HA 0.254 4.375 4.120 0.001 0.000 0.282 88 V C 0.325 176.428 176.094 0.014 0.000 1.048 88 V CA 0.090 62.376 62.300 -0.024 0.000 0.997 88 V CB 0.565 32.360 31.823 -0.047 0.000 0.987 88 V HN 0.946 nan 8.190 nan 0.000 0.477 89 F N 5.025 124.933 119.950 -0.069 0.000 2.437 89 F HA 0.468 4.996 4.527 0.001 0.000 0.288 89 F C 0.254 176.021 175.800 -0.056 0.000 1.085 89 F CA 0.522 58.491 58.000 -0.051 0.000 1.430 89 F CB 0.601 39.585 39.000 -0.027 0.000 1.120 89 F HN 0.360 nan 8.300 nan 0.000 0.556 90 L N 1.190 122.480 121.223 0.111 0.000 2.505 90 L HA 0.332 4.673 4.340 0.001 0.000 0.266 90 L C -1.024 175.811 176.870 -0.058 0.000 0.954 90 L CA -0.585 54.252 54.840 -0.006 0.000 0.852 90 L CB 1.690 43.819 42.059 0.117 0.000 1.282 90 L HN -0.135 nan 8.230 nan 0.000 0.403 91 E N 3.011 123.134 120.200 -0.129 0.000 2.338 91 E HA 0.091 4.442 4.350 0.001 0.000 0.272 91 E C 0.531 177.054 176.600 -0.128 0.000 1.029 91 E CA -0.119 56.206 56.400 -0.126 0.000 0.872 91 E CB 0.898 30.511 29.700 -0.146 0.000 1.015 91 E HN 0.633 nan 8.360 nan 0.000 0.417 92 N N 1.567 120.217 118.700 -0.083 0.000 2.272 92 N HA -0.192 4.548 4.740 0.001 0.000 0.185 92 N C 1.262 176.737 175.510 -0.058 0.000 1.014 92 N CA 1.535 54.552 53.050 -0.055 0.000 0.870 92 N CB -0.241 38.220 38.487 -0.043 0.000 0.975 92 N HN 0.317 nan 8.380 nan 0.000 0.433 93 S N -1.241 114.404 115.700 -0.092 0.000 2.558 93 S HA 0.056 4.527 4.470 0.001 0.000 0.217 93 S C 1.545 176.041 174.600 -0.173 0.000 0.975 93 S CA 0.311 58.454 58.200 -0.094 0.000 0.912 93 S CB -0.603 62.550 63.200 -0.079 0.000 0.776 93 S HN 0.233 nan 8.310 nan 0.000 0.526 94 T N 1.839 116.203 114.554 -0.317 0.000 2.721 94 T HA -0.061 4.289 4.350 0.001 0.000 0.268 94 T C 0.386 174.627 174.700 -0.764 0.000 1.038 94 T CA 1.477 63.206 62.100 -0.620 0.000 1.145 94 T CB -0.490 67.767 68.868 -1.018 0.000 0.858 94 T HN 0.597 nan 8.240 nan 0.000 0.459 95 F N 0.669 120.519 119.950 -0.167 0.000 2.684 95 F HA 0.342 4.869 4.527 0.001 0.000 0.298 95 F C 1.289 177.082 175.800 -0.012 0.000 1.120 95 F CA -1.132 56.795 58.000 -0.122 0.000 1.332 95 F CB -0.185 38.663 39.000 -0.253 0.000 0.986 95 F HN -0.066 nan 8.300 nan 0.000 0.524 96 D N 1.061 121.496 120.400 0.059 0.000 2.170 96 D HA -0.214 4.427 4.640 0.001 0.000 0.193 96 D C 1.203 177.547 176.300 0.072 0.000 1.004 96 D CA 1.614 55.644 54.000 0.050 0.000 0.860 96 D CB 0.045 40.844 40.800 -0.002 0.000 0.931 96 D HN 0.322 nan 8.370 nan 0.000 0.448 97 E N -1.187 119.064 120.200 0.084 0.000 2.411 97 E HA 0.098 4.448 4.350 0.001 0.000 0.204 97 E C 0.584 177.248 176.600 0.108 0.000 1.059 97 E CA -0.369 56.068 56.400 0.063 0.000 1.112 97 E CB -0.073 29.646 29.700 0.032 0.000 1.168 97 E HN 0.149 nan 8.360 nan 0.000 0.445 98 F N 0.510 120.459 119.950 -0.001 0.000 2.186 98 F HA 0.053 4.581 4.527 0.001 0.000 0.299 98 F C 1.880 177.580 175.800 -0.166 0.000 1.090 98 F CA 1.845 59.828 58.000 -0.027 0.000 1.307 98 F CB 0.045 39.040 39.000 -0.009 0.000 1.019 98 F HN 0.223 nan 8.300 nan 0.000 0.489 99 G N -1.077 107.531 108.800 -0.320 0.000 2.175 99 G HA2 -0.224 3.737 3.960 0.001 0.000 0.244 99 G HA3 -0.224 3.737 3.960 0.001 0.000 0.244 99 G C 0.117 174.526 174.900 -0.819 0.000 0.982 99 G CA 0.299 45.056 45.100 -0.572 0.000 0.641 99 G HN 0.556 nan 8.290 nan 0.000 0.527 100 H N -0.315 118.536 119.070 -0.365 0.000 2.768 100 H HA 0.617 5.174 4.556 0.001 0.000 0.371 100 H C -0.629 174.748 175.328 0.081 0.000 1.151 100 H CA -0.119 55.806 56.048 -0.205 0.000 1.165 100 H CB 1.703 31.112 29.762 -0.589 0.000 1.722 100 H HN 0.115 nan 8.280 nan 0.000 0.543 101 S N 2.410 118.245 115.700 0.226 0.000 2.422 101 S HA 0.242 4.712 4.470 0.001 0.000 0.283 101 S C 0.390 175.105 174.600 0.192 0.000 1.163 101 S CA -0.684 57.616 58.200 0.167 0.000 1.054 101 S CB -0.731 62.537 63.200 0.113 0.000 0.967 101 S HN 0.338 nan 8.310 nan 0.000 0.499 102 I N 5.522 126.169 120.570 0.130 0.000 2.517 102 I HA 0.073 4.244 4.170 0.001 0.000 0.285 102 I C 1.497 177.634 176.117 0.034 0.000 1.106 102 I CA -0.230 61.105 61.300 0.059 0.000 1.402 102 I CB 0.515 38.457 38.000 -0.096 0.000 1.399 102 I HN 0.679 nan 8.210 nan 0.000 0.535 103 N N 3.801 122.519 118.700 0.029 0.000 2.207 103 N HA -0.071 4.669 4.740 0.001 0.000 0.182 103 N C 0.011 175.485 175.510 -0.060 0.000 1.020 103 N CA 1.107 54.125 53.050 -0.054 0.000 0.858 103 N CB 0.374 38.802 38.487 -0.098 0.000 0.991 103 N HN 0.753 nan 8.380 nan 0.000 0.427 104 D N -3.021 117.371 120.400 -0.013 0.000 2.692 104 D HA 0.202 4.842 4.640 0.001 0.000 0.290 104 D C -1.716 174.640 176.300 0.093 0.000 1.281 104 D CA -0.618 53.391 54.000 0.016 0.000 0.804 104 D CB 0.501 41.264 40.800 -0.062 0.000 1.331 104 D HN 0.084 nan 8.370 nan 0.000 0.432 105 Y N -1.228 119.079 120.300 0.013 0.000 2.669 105 Y HA 0.820 5.371 4.550 0.001 0.000 0.335 105 Y C -1.113 174.856 175.900 0.115 0.000 1.116 105 Y CA -1.078 57.047 58.100 0.041 0.000 1.081 105 Y CB 1.803 40.270 38.460 0.012 0.000 1.297 105 Y HN 0.208 nan 8.280 nan 0.000 0.484 106 S N 1.586 117.458 115.700 0.288 0.000 2.599 106 S HA 0.512 4.982 4.470 0.001 0.000 0.269 106 S C -1.718 173.215 174.600 0.554 0.000 1.135 106 S CA -0.466 57.903 58.200 0.283 0.000 1.027 106 S CB 0.011 63.353 63.200 0.237 0.000 1.129 106 S HN 0.656 nan 8.310 nan 0.000 0.458 107 I N 4.526 125.342 120.570 0.411 0.000 2.474 107 I HA 0.261 4.432 4.170 0.001 0.000 0.287 107 I C 1.071 177.147 176.117 -0.069 0.000 1.048 107 I CA 0.155 61.608 61.300 0.255 0.000 1.383 107 I CB 1.532 39.599 38.000 0.110 0.000 1.412 107 I HN 0.738 nan 8.210 nan 0.000 0.531 108 S N 6.097 121.483 115.700 -0.523 0.000 2.566 108 S HA 0.135 4.605 4.470 0.001 0.000 0.280 108 S C -1.809 172.502 174.600 -0.481 0.000 1.343 108 S CA -0.836 56.581 58.200 -1.305 0.000 1.036 108 S CB 0.270 62.618 63.200 -1.420 0.000 0.866 108 S HN 0.451 nan 8.310 nan 0.000 0.526 109 P HA -0.135 nan 4.420 nan 0.000 0.216 109 P C 0.767 178.011 177.300 -0.093 0.000 1.153 109 P CA 1.607 64.625 63.100 -0.136 0.000 0.858 109 P CB -0.207 31.432 31.700 -0.102 0.000 0.789 110 D N -1.854 118.475 120.400 -0.119 0.000 2.352 110 D HA 0.068 4.709 4.640 0.001 0.000 0.232 110 D C 1.430 177.714 176.300 -0.027 0.000 1.055 110 D CA 0.631 54.598 54.000 -0.055 0.000 0.891 110 D CB -1.219 39.554 40.800 -0.045 0.000 0.897 110 D HN 0.225 nan 8.370 nan 0.000 0.529 111 G N 0.191 108.977 108.800 -0.024 0.000 2.189 111 G HA2 -0.443 3.518 3.960 0.001 0.000 0.267 111 G HA3 -0.443 3.518 3.960 0.001 0.000 0.267 111 G C 1.047 175.976 174.900 0.049 0.000 0.975 111 G CA 0.664 45.830 45.100 0.110 0.000 0.644 111 G HN 0.478 nan 8.290 nan 0.000 0.537 112 Q N -1.480 118.223 119.800 -0.162 0.000 2.245 112 Q HA 0.291 4.632 4.340 0.001 0.000 0.201 112 Q C 0.384 175.936 176.000 -0.746 0.000 0.955 112 Q CA 0.794 56.298 55.803 -0.499 0.000 0.870 112 Q CB 0.221 28.542 28.738 -0.695 0.000 0.945 112 Q HN 0.586 nan 8.270 nan 0.000 0.461 113 F N -0.829 119.113 119.950 -0.013 0.000 2.620 113 F HA 0.535 5.063 4.527 0.001 0.000 0.320 113 F C -0.580 175.373 175.800 0.255 0.000 1.069 113 F CA -1.315 56.753 58.000 0.113 0.000 0.953 113 F CB 1.615 40.693 39.000 0.130 0.000 1.322 113 F HN -0.221 nan 8.300 nan 0.000 0.479 114 I N 2.421 123.380 120.570 0.649 0.000 2.534 114 I HA 0.471 4.642 4.170 0.001 0.000 0.288 114 I C -1.892 174.549 176.117 0.539 0.000 1.077 114 I CA -0.986 60.666 61.300 0.586 0.000 1.051 114 I CB 1.448 39.737 38.000 0.481 0.000 1.234 114 I HN 0.512 nan 8.210 nan 0.000 0.425 115 L N 8.248 129.796 121.223 0.542 0.000 2.290 115 L HA 0.464 4.805 4.340 0.001 0.000 0.284 115 L C -1.126 175.873 176.870 0.215 0.000 1.078 115 L CA 0.082 55.102 54.840 0.300 0.000 0.815 115 L CB 0.908 43.038 42.059 0.119 0.000 1.162 115 L HN 0.503 nan 8.230 nan 0.000 0.435 116 L N 5.205 126.495 121.223 0.112 0.000 2.272 116 L HA 0.466 4.806 4.340 0.001 0.000 0.289 116 L C -0.033 176.875 176.870 0.063 0.000 1.032 116 L CA -0.410 54.404 54.840 -0.044 0.000 0.810 116 L CB 1.470 43.281 42.059 -0.413 0.000 1.205 116 L HN 0.618 nan 8.230 nan 0.000 0.422 117 E N 4.131 124.333 120.200 0.004 0.000 2.156 117 E HA 0.452 4.803 4.350 0.001 0.000 0.279 117 E C -1.607 174.983 176.600 -0.016 0.000 0.965 117 E CA -0.492 55.779 56.400 -0.215 0.000 0.789 117 E CB 1.114 30.737 29.700 -0.129 0.000 1.098 117 E HN 0.436 nan 8.360 nan 0.000 0.397 118 Y N 1.639 121.770 120.300 -0.282 0.000 2.705 118 Y HA 0.441 4.992 4.550 0.001 0.000 0.332 118 Y C -0.249 175.568 175.900 -0.137 0.000 1.221 118 Y CA -1.638 56.392 58.100 -0.118 0.000 1.059 118 Y CB 0.498 38.965 38.460 0.012 0.000 1.298 118 Y HN 0.528 nan 8.280 nan 0.000 0.459 119 N N -0.394 118.298 118.700 -0.013 0.000 2.754 119 N HA -0.291 4.450 4.740 0.001 0.000 0.248 119 N C -0.997 174.471 175.510 -0.070 0.000 1.093 119 N CA 0.969 53.966 53.050 -0.089 0.000 0.699 119 N CB -1.622 36.692 38.487 -0.288 0.000 1.016 119 N HN 0.885 nan 8.380 nan 0.000 0.552 120 Y N 0.236 120.459 120.300 -0.129 0.000 2.632 120 Y HA 0.259 4.809 4.550 0.001 0.000 0.329 120 Y C 0.039 175.895 175.900 -0.073 0.000 1.174 120 Y CA 0.063 58.086 58.100 -0.128 0.000 1.469 120 Y CB 0.644 38.987 38.460 -0.194 0.000 1.242 120 Y HN -0.015 nan 8.280 nan 0.000 0.540 121 V N 8.205 127.771 119.914 -0.580 0.000 2.419 121 V HA 0.190 4.311 4.120 0.001 0.000 0.287 121 V C -0.223 175.494 176.094 -0.628 0.000 1.017 121 V CA -1.378 60.656 62.300 -0.444 0.000 0.844 121 V CB 1.221 32.913 31.823 -0.217 0.000 1.011 121 V HN 0.747 nan 8.190 nan 0.000 0.429 122 K N 3.609 123.656 120.400 -0.588 0.000 2.436 122 K HA 0.188 4.508 4.320 0.001 0.000 0.275 122 K C 0.381 176.826 176.600 -0.258 0.000 0.999 122 K CA 0.308 56.392 56.287 -0.337 0.000 0.980 122 K CB 1.113 33.621 32.500 0.014 0.000 0.919 122 K HN 0.818 nan 8.250 nan 0.000 0.484 123 Q N 2.793 122.420 119.800 -0.289 0.000 2.653 123 Q HA 0.181 4.522 4.340 0.001 0.000 0.212 123 Q C -0.009 175.744 176.000 -0.410 0.000 0.951 123 Q CA -0.441 54.996 55.803 -0.610 0.000 0.535 123 Q CB 0.140 28.340 28.738 -0.896 0.000 3.737 123 Q HN 0.723 nan 8.270 nan 0.000 0.401 124 W N 0.267 121.561 121.300 -0.010 0.000 1.763 124 W HA 0.302 4.963 4.660 0.002 0.000 0.619 124 W C 1.850 178.343 176.519 -0.043 0.000 1.755 124 W CA -0.468 56.887 57.345 0.017 0.000 1.933 124 W CB -0.178 29.236 29.460 -0.077 0.000 3.002 124 W HN 0.357 nan 8.180 nan 0.000 0.782 125 R N -0.642 119.933 120.500 0.125 0.000 2.075 125 R HA -0.134 4.207 4.340 0.001 0.000 0.232 125 R C 1.725 177.851 176.300 -0.292 0.000 1.126 125 R CA 1.958 57.955 56.100 -0.171 0.000 0.963 125 R CB -0.465 29.584 30.300 -0.417 0.000 0.858 125 R HN 0.460 nan 8.270 nan 0.000 0.435 126 H N -1.045 118.093 119.070 0.113 0.000 2.927 126 H HA 0.220 4.777 4.556 0.001 0.000 0.255 126 H C 0.392 175.806 175.328 0.143 0.000 0.974 126 H CA 0.515 56.653 56.048 0.150 0.000 1.199 126 H CB 0.162 29.988 29.762 0.105 0.000 1.447 126 H HN 0.216 nan 8.280 nan 0.000 0.467 127 S N 1.425 117.110 115.700 -0.025 0.000 2.576 127 S HA 0.356 4.826 4.470 0.001 0.000 0.276 127 S C -0.291 174.182 174.600 -0.212 0.000 1.339 127 S CA -0.440 57.448 58.200 -0.519 0.000 1.039 127 S CB 0.546 62.908 63.200 -1.397 0.000 0.902 127 S HN 0.449 nan 8.310 nan 0.000 0.516 128 Y N -2.230 117.931 120.300 -0.231 0.000 2.732 128 Y HA 0.625 5.175 4.550 0.001 0.000 0.342 128 Y C -0.792 175.086 175.900 -0.037 0.000 1.203 128 Y CA -0.881 57.082 58.100 -0.228 0.000 1.092 128 Y CB 0.440 38.708 38.460 -0.320 0.000 1.345 128 Y HN 0.884 nan 8.280 nan 0.000 0.458 129 T N 0.105 114.710 114.554 0.084 0.000 2.940 129 T HA 1.016 5.367 4.350 0.001 0.000 0.288 129 T C -0.417 174.361 174.700 0.129 0.000 1.033 129 T CA -0.072 62.093 62.100 0.109 0.000 1.033 129 T CB 1.744 70.627 68.868 0.025 0.000 1.079 129 T HN 1.852 nan 8.240 nan 0.000 0.496 130 A N 1.039 123.925 122.820 0.110 0.000 2.581 130 A HA 0.787 5.107 4.320 0.001 0.000 0.290 130 A C -0.614 176.785 177.584 -0.308 0.000 1.119 130 A CA -0.983 50.978 52.037 -0.126 0.000 0.670 130 A CB 1.179 20.087 19.000 -0.153 0.000 1.280 130 A HN 0.859 nan 8.150 nan 0.000 0.425 131 S N -0.660 114.601 115.700 -0.731 0.000 2.578 131 S HA 0.819 5.289 4.470 0.001 0.000 0.301 131 S C -1.508 172.457 174.600 -1.059 0.000 1.091 131 S CA -0.105 57.604 58.200 -0.818 0.000 1.032 131 S CB 0.753 63.233 63.200 -1.200 0.000 1.064 131 S HN 0.454 nan 8.310 nan 0.000 0.508 132 Y N 0.211 120.310 120.300 -0.334 0.000 2.545 132 Y HA 0.590 5.141 4.550 0.001 0.000 0.348 132 Y C -0.420 175.531 175.900 0.085 0.000 1.002 132 Y CA -0.949 57.098 58.100 -0.088 0.000 1.039 132 Y CB 1.796 40.133 38.460 -0.205 0.000 1.271 132 Y HN 0.485 nan 8.280 nan 0.000 0.467 133 D N 1.245 121.829 120.400 0.307 0.000 2.661 133 D HA 0.557 5.197 4.640 0.001 0.000 0.228 133 D C -1.172 175.229 176.300 0.168 0.000 1.183 133 D CA -0.351 53.792 54.000 0.239 0.000 0.844 133 D CB 2.584 43.594 40.800 0.351 0.000 1.555 133 D HN 0.374 nan 8.370 nan 0.000 0.453 134 I N 1.520 122.185 120.570 0.157 0.000 2.433 134 I HA 0.307 4.478 4.170 0.001 0.000 0.292 134 I C -1.094 175.211 176.117 0.313 0.000 1.001 134 I CA -1.024 60.400 61.300 0.207 0.000 1.119 134 I CB 1.740 39.802 38.000 0.104 0.000 1.289 134 I HN 0.243 nan 8.210 nan 0.000 0.438 135 Y N 5.438 125.898 120.300 0.266 0.000 2.335 135 Y HA 0.289 4.840 4.550 0.001 0.000 0.338 135 Y C -0.130 176.003 175.900 0.388 0.000 0.977 135 Y CA -0.622 57.663 58.100 0.309 0.000 1.114 135 Y CB 1.119 39.813 38.460 0.390 0.000 1.182 135 Y HN 0.487 nan 8.280 nan 0.000 0.463 136 D N 6.292 126.676 120.400 -0.027 0.000 2.339 136 D HA 0.064 4.704 4.640 0.001 0.000 0.256 136 D C 0.670 176.793 176.300 -0.296 0.000 1.214 136 D CA 0.384 54.416 54.000 0.053 0.000 0.877 136 D CB 1.049 41.870 40.800 0.035 0.000 1.111 136 D HN 0.886 nan 8.370 nan 0.000 0.478 137 L N 3.748 124.886 121.223 -0.143 0.000 2.313 137 L HA -0.084 4.257 4.340 0.001 0.000 0.214 137 L C 1.993 178.750 176.870 -0.188 0.000 1.119 137 L CA 0.254 55.041 54.840 -0.088 0.000 0.809 137 L CB -0.156 41.872 42.059 -0.052 0.000 0.933 137 L HN 0.362 nan 8.230 nan 0.000 0.449 138 N N 1.286 119.839 118.700 -0.245 0.000 2.132 138 N HA -0.128 4.613 4.740 0.001 0.000 0.187 138 N C 1.378 176.794 175.510 -0.157 0.000 1.038 138 N CA 1.150 54.083 53.050 -0.195 0.000 0.846 138 N CB -0.176 38.191 38.487 -0.201 0.000 1.012 138 N HN 0.423 nan 8.380 nan 0.000 0.429 139 K N 1.311 121.614 120.400 -0.161 0.000 2.504 139 K HA 0.201 4.522 4.320 0.001 0.000 0.199 139 K C -0.319 176.168 176.600 -0.187 0.000 1.028 139 K CA -0.282 55.924 56.287 -0.135 0.000 1.164 139 K CB 0.253 32.697 32.500 -0.094 0.000 0.877 139 K HN -0.163 nan 8.250 nan 0.000 0.508 140 R N 1.551 121.899 120.500 -0.253 0.000 3.034 140 R HA -0.223 4.118 4.340 0.001 0.000 0.237 140 R C -0.741 175.326 176.300 -0.389 0.000 0.861 140 R CA 1.063 56.993 56.100 -0.283 0.000 0.588 140 R CB -1.988 28.283 30.300 -0.049 0.000 1.035 140 R HN 0.817 nan 8.270 nan 0.000 0.488 141 Q N 0.057 119.436 119.800 -0.701 0.000 2.340 141 Q HA 0.424 4.764 4.340 0.001 0.000 0.276 141 Q C -1.343 174.478 176.000 -0.298 0.000 1.048 141 Q CA -0.945 54.655 55.803 -0.339 0.000 0.832 141 Q CB 1.694 30.352 28.738 -0.134 0.000 1.373 141 Q HN 0.206 nan 8.270 nan 0.000 0.409 142 L N 4.213 125.495 121.223 0.098 0.000 2.360 142 L HA 0.376 4.717 4.340 0.001 0.000 0.276 142 L C -0.419 176.532 176.870 0.135 0.000 1.121 142 L CA 0.095 55.095 54.840 0.266 0.000 0.845 142 L CB 0.652 42.948 42.059 0.395 0.000 1.143 142 L HN 0.637 nan 8.230 nan 0.000 0.452 143 I N 3.954 124.596 120.570 0.120 0.000 2.588 143 I HA 0.055 4.226 4.170 0.001 0.000 0.283 143 I C 1.048 177.202 176.117 0.062 0.000 1.119 143 I CA 0.370 61.707 61.300 0.061 0.000 1.419 143 I CB 0.913 38.926 38.000 0.021 0.000 1.394 143 I HN 0.803 nan 8.210 nan 0.000 0.562 144 T N 0.424 114.999 114.554 0.035 0.000 3.004 144 T HA 0.257 4.608 4.350 0.001 0.000 0.266 144 T C 0.440 175.138 174.700 -0.002 0.000 0.986 144 T CA -0.375 61.742 62.100 0.028 0.000 0.902 144 T CB 0.102 68.990 68.868 0.032 0.000 1.118 144 T HN 0.509 nan 8.240 nan 0.000 0.522 145 E N 2.104 122.295 120.200 -0.014 0.000 2.242 145 E HA 0.313 4.664 4.350 0.001 0.000 0.275 145 E C -0.462 176.105 176.600 -0.053 0.000 1.002 145 E CA -0.818 55.564 56.400 -0.031 0.000 0.841 145 E CB 0.611 30.296 29.700 -0.026 0.000 1.109 145 E HN 0.157 nan 8.360 nan 0.000 0.394 146 E N 1.402 121.560 120.200 -0.069 0.000 2.183 146 E HA -0.250 4.100 4.350 0.001 0.000 0.196 146 E C -0.650 175.877 176.600 -0.122 0.000 1.364 146 E CA 0.804 57.147 56.400 -0.096 0.000 0.700 146 E CB -1.602 28.048 29.700 -0.084 0.000 1.106 146 E HN 0.491 nan 8.360 nan 0.000 0.347 147 R N -0.231 120.189 120.500 -0.135 0.000 2.500 147 R HA 0.571 4.912 4.340 0.001 0.000 0.275 147 R C 0.934 177.061 176.300 -0.288 0.000 1.051 147 R CA -0.861 55.142 56.100 -0.161 0.000 1.088 147 R CB 0.789 31.032 30.300 -0.094 0.000 1.063 147 R HN 0.028 nan 8.270 nan 0.000 0.511 148 I N 2.728 123.076 120.570 -0.371 0.000 2.845 148 I HA -0.041 4.130 4.170 0.001 0.000 0.296 148 I C -1.678 174.095 176.117 -0.573 0.000 1.216 148 I CA -1.258 59.643 61.300 -0.665 0.000 1.438 148 I CB 0.039 37.630 38.000 -0.683 0.000 1.342 148 I HN 0.414 nan 8.210 nan 0.000 0.577 149 P HA 0.061 nan 4.420 nan 0.000 0.271 149 P C -0.666 176.391 177.300 -0.405 0.000 1.233 149 P CA -0.316 62.323 63.100 -0.769 0.000 0.789 149 P CB 0.416 31.096 31.700 -1.700 0.000 0.951 150 N N 1.858 120.432 118.700 -0.209 0.000 2.483 150 N HA 0.075 4.815 4.740 0.001 0.000 0.269 150 N C 0.190 175.775 175.510 0.125 0.000 1.209 150 N CA 0.001 53.007 53.050 -0.074 0.000 0.969 150 N CB 0.024 38.474 38.487 -0.062 0.000 1.173 150 N HN 0.421 nan 8.380 nan 0.000 0.475 151 N N -0.398 118.343 118.700 0.067 0.000 2.747 151 N HA -0.146 4.595 4.740 0.001 0.000 0.249 151 N C -0.820 174.838 175.510 0.247 0.000 1.107 151 N CA 0.691 53.815 53.050 0.124 0.000 0.707 151 N CB -1.653 36.910 38.487 0.127 0.000 1.054 151 N HN 0.475 nan 8.380 nan 0.000 0.555 152 T N 0.852 115.549 114.554 0.239 0.000 2.870 152 T HA 0.117 4.468 4.350 0.001 0.000 0.300 152 T C 1.722 176.550 174.700 0.214 0.000 0.989 152 T CA 0.053 62.310 62.100 0.262 0.000 1.139 152 T CB 1.266 70.181 68.868 0.079 0.000 0.920 152 T HN 0.167 nan 8.240 nan 0.000 0.537 153 Q N 1.759 121.671 119.800 0.187 0.000 2.269 153 Q HA 0.140 4.481 4.340 0.001 0.000 0.201 153 Q C 0.147 176.251 176.000 0.174 0.000 0.946 153 Q CA 0.480 56.392 55.803 0.181 0.000 0.877 153 Q CB 0.700 29.493 28.738 0.092 0.000 0.963 153 Q HN 0.705 nan 8.270 nan 0.000 0.472 154 W N -0.405 120.814 121.300 -0.135 0.000 3.645 154 W HA 0.478 5.139 4.660 0.001 0.000 0.285 154 W C -2.362 174.042 176.519 -0.191 0.000 1.266 154 W CA -0.720 56.505 57.345 -0.201 0.000 1.212 154 W CB 1.125 30.409 29.460 -0.292 0.000 1.306 154 W HN -0.280 nan 8.180 nan 0.000 0.552 155 V N 4.507 123.661 119.914 -1.266 0.000 2.971 155 V HA 0.849 4.970 4.120 0.001 0.000 0.309 155 V C -1.487 173.915 176.094 -1.152 0.000 1.130 155 V CA -0.097 61.610 62.300 -0.989 0.000 0.964 155 V CB 2.332 33.527 31.823 -1.046 0.000 1.029 155 V HN 0.635 nan 8.190 nan 0.000 0.427 156 T N 4.930 119.150 114.554 -0.556 0.000 3.097 156 T HA 0.463 4.814 4.350 0.001 0.000 0.332 156 T C -1.371 173.388 174.700 0.099 0.000 1.269 156 T CA -0.334 61.643 62.100 -0.204 0.000 1.076 156 T CB 0.819 69.792 68.868 0.176 0.000 1.209 156 T HN 0.728 nan 8.240 nan 0.000 0.474 157 W N 3.100 124.467 121.300 0.112 0.000 2.126 157 W HA 0.455 5.116 4.660 0.001 0.000 0.346 157 W C 1.273 177.721 176.519 -0.119 0.000 1.279 157 W CA -0.653 56.728 57.345 0.059 0.000 1.259 157 W CB 0.666 30.143 29.460 0.028 0.000 1.133 157 W HN 0.820 nan 8.180 nan 0.000 0.592 158 S N 1.939 117.480 115.700 -0.265 0.000 2.584 158 S HA 0.086 4.557 4.470 0.001 0.000 0.270 158 S C -1.416 172.870 174.600 -0.523 0.000 1.346 158 S CA -1.009 56.379 58.200 -1.354 0.000 1.018 158 S CB 0.851 63.262 63.200 -1.316 0.000 0.899 158 S HN 0.398 nan 8.310 nan 0.000 0.542 159 P HA 0.054 nan 4.420 nan 0.000 0.222 159 P C 0.028 177.261 177.300 -0.111 0.000 1.147 159 P CA 0.648 63.677 63.100 -0.118 0.000 0.790 159 P CB 0.067 31.750 31.700 -0.029 0.000 0.780 160 V N -1.422 118.374 119.914 -0.198 0.000 2.876 160 V HA 0.625 4.746 4.120 0.001 0.000 0.312 160 V C 0.807 176.773 176.094 -0.213 0.000 1.085 160 V CA 0.211 62.418 62.300 -0.156 0.000 0.945 160 V CB 1.163 32.910 31.823 -0.128 0.000 1.017 160 V HN 0.455 nan 8.190 nan 0.000 0.428 161 G N 2.940 111.626 108.800 -0.190 0.000 2.514 161 G HA2 -0.220 3.741 3.960 0.001 0.000 0.265 161 G HA3 -0.220 3.741 3.960 0.001 0.000 0.265 161 G C 0.182 174.946 174.900 -0.227 0.000 1.150 161 G CA 0.677 45.616 45.100 -0.269 0.000 0.959 161 G HN 1.880 nan 8.290 nan 0.000 0.556 162 H N -0.644 118.398 119.070 -0.046 0.000 3.204 162 H HA 0.417 4.974 4.556 0.001 0.000 0.240 162 H C 0.348 175.854 175.328 0.297 0.000 1.259 162 H CA -0.140 55.919 56.048 0.019 0.000 0.991 162 H CB -0.135 29.702 29.762 0.126 0.000 2.583 162 H HN 0.511 nan 8.280 nan 0.000 0.638 163 K N 1.515 122.068 120.400 0.256 0.000 2.120 163 K HA 0.522 4.843 4.320 0.001 0.000 0.245 163 K C -0.400 176.456 176.600 0.427 0.000 1.024 163 K CA -0.397 56.060 56.287 0.285 0.000 0.906 163 K CB 1.518 34.051 32.500 0.055 0.000 1.051 163 K HN 0.102 nan 8.250 nan 0.000 0.491 164 L N 0.246 121.702 121.223 0.388 0.000 2.393 164 L HA 0.631 4.972 4.340 0.001 0.000 0.260 164 L C -1.188 175.902 176.870 0.366 0.000 1.002 164 L CA -0.906 54.100 54.840 0.277 0.000 0.818 164 L CB 2.256 44.306 42.059 -0.015 0.000 1.369 164 L HN 0.724 nan 8.230 nan 0.000 0.412 165 A N 1.896 124.871 122.820 0.259 0.000 2.427 165 A HA 0.825 5.146 4.320 0.001 0.000 0.298 165 A C -1.715 175.855 177.584 -0.023 0.000 1.036 165 A CA -0.386 51.662 52.037 0.018 0.000 0.701 165 A CB 1.307 20.198 19.000 -0.182 0.000 1.250 165 A HN 0.660 nan 8.150 nan 0.000 0.412 166 Y N -0.768 119.470 120.300 -0.103 0.000 2.625 166 Y HA 0.804 5.355 4.550 0.001 0.000 0.338 166 Y C -1.208 174.685 175.900 -0.012 0.000 1.123 166 Y CA -1.570 56.444 58.100 -0.143 0.000 1.046 166 Y CB 1.221 39.521 38.460 -0.267 0.000 1.299 166 Y HN 0.421 nan 8.280 nan 0.000 0.464 167 V N 1.720 121.762 119.914 0.212 0.000 2.540 167 V HA 0.387 4.508 4.120 0.001 0.000 0.302 167 V C -1.525 174.767 176.094 0.329 0.000 1.035 167 V CA -0.610 61.793 62.300 0.172 0.000 0.873 167 V CB 1.489 33.321 31.823 0.016 0.000 0.992 167 V HN 0.866 nan 8.190 nan 0.000 0.428 168 W N 4.711 126.087 121.300 0.126 0.000 3.097 168 W HA 0.468 5.129 4.660 0.001 0.000 0.335 168 W C 0.305 176.852 176.519 0.047 0.000 1.114 168 W CA -0.812 56.566 57.345 0.054 0.000 1.231 168 W CB 1.300 30.740 29.460 -0.032 0.000 1.388 168 W HN 0.785 nan 8.180 nan 0.000 0.485 169 N N 5.335 123.705 118.700 -0.549 0.000 2.721 169 N HA -0.354 4.387 4.740 0.001 0.000 0.249 169 N C 0.145 175.498 175.510 -0.261 0.000 1.072 169 N CA 1.036 53.755 53.050 -0.551 0.000 0.710 169 N CB -1.088 36.875 38.487 -0.874 0.000 0.993 169 N HN 0.814 nan 8.380 nan 0.000 0.547 170 N N -2.009 116.594 118.700 -0.161 0.000 2.828 170 N HA -0.171 4.570 4.740 0.001 0.000 0.248 170 N C -1.280 174.165 175.510 -0.110 0.000 1.044 170 N CA 1.068 54.042 53.050 -0.127 0.000 0.851 170 N CB -0.346 38.028 38.487 -0.190 0.000 1.136 170 N HN 0.436 nan 8.380 nan 0.000 0.572 171 D N 0.492 120.848 120.400 -0.074 0.000 2.340 171 D HA 0.494 5.135 4.640 0.001 0.000 0.240 171 D C 0.129 176.314 176.300 -0.191 0.000 1.001 171 D CA -0.370 53.525 54.000 -0.176 0.000 0.888 171 D CB 1.641 42.299 40.800 -0.237 0.000 1.310 171 D HN 0.024 nan 8.370 nan 0.000 0.474 172 I N 1.843 122.131 120.570 -0.470 0.000 2.396 172 I HA 0.223 4.394 4.170 0.001 0.000 0.292 172 I C -0.691 174.986 176.117 -0.734 0.000 0.999 172 I CA -0.421 60.575 61.300 -0.506 0.000 1.310 172 I CB 0.551 38.150 38.000 -0.669 0.000 1.404 172 I HN 0.160 nan 8.210 nan 0.000 0.496 173 Y N 4.245 124.168 120.300 -0.628 0.000 2.499 173 Y HA 0.652 5.203 4.550 0.001 0.000 0.347 173 Y C -0.288 175.239 175.900 -0.622 0.000 0.987 173 Y CA -0.924 56.748 58.100 -0.715 0.000 1.044 173 Y CB 2.050 39.798 38.460 -1.187 0.000 1.245 173 Y HN 0.110 nan 8.280 nan 0.000 0.461 174 V N 2.421 122.240 119.914 -0.158 0.000 2.709 174 V HA 0.495 4.616 4.120 0.001 0.000 0.308 174 V C -0.990 175.221 176.094 0.196 0.000 1.062 174 V CA -1.459 60.851 62.300 0.017 0.000 0.901 174 V CB 2.193 34.052 31.823 0.060 0.000 1.003 174 V HN 0.618 nan 8.190 nan 0.000 0.425 175 K N 4.081 124.617 120.400 0.228 0.000 2.450 175 K HA 0.504 4.825 4.320 0.001 0.000 0.257 175 K C 0.273 177.036 176.600 0.270 0.000 0.953 175 K CA -0.741 55.684 56.287 0.231 0.000 0.844 175 K CB 1.876 34.471 32.500 0.159 0.000 1.103 175 K HN 0.411 nan 8.250 nan 0.000 0.429 176 I N 1.132 121.885 120.570 0.304 0.000 2.439 176 I HA -0.058 4.113 4.170 0.001 0.000 0.251 176 I C 0.366 176.639 176.117 0.259 0.000 1.139 176 I CA 1.422 62.883 61.300 0.269 0.000 1.438 176 I CB -0.378 37.781 38.000 0.265 0.000 1.085 176 I HN 0.575 nan 8.210 nan 0.000 0.427 177 E N -0.472 119.839 120.200 0.186 0.000 2.314 177 E HA 0.285 4.636 4.350 0.001 0.000 0.272 177 E C -1.917 174.661 176.600 -0.037 0.000 0.884 177 E CA -1.880 54.576 56.400 0.094 0.000 0.753 177 E CB 2.042 31.789 29.700 0.078 0.000 1.213 177 E HN -0.189 nan 8.360 nan 0.000 0.432 178 P HA -0.176 nan 4.420 nan 0.000 0.216 178 P C 0.686 177.877 177.300 -0.181 0.000 1.150 178 P CA 1.626 64.547 63.100 -0.297 0.000 0.843 178 P CB 0.196 31.447 31.700 -0.748 0.000 0.787 179 N N -2.142 116.471 118.700 -0.145 0.000 2.280 179 N HA 0.069 4.810 4.740 0.001 0.000 0.192 179 N C 0.215 175.693 175.510 -0.053 0.000 1.109 179 N CA -0.064 52.939 53.050 -0.079 0.000 0.855 179 N CB -0.284 38.173 38.487 -0.050 0.000 0.974 179 N HN 0.053 nan 8.380 nan 0.000 0.482 180 L N 1.010 122.207 121.223 -0.043 0.000 2.360 180 L HA 0.501 4.841 4.340 0.001 0.000 0.271 180 L C -2.043 174.785 176.870 -0.069 0.000 1.057 180 L CA -2.562 52.256 54.840 -0.038 0.000 0.803 180 L CB 1.027 43.085 42.059 -0.001 0.000 1.207 180 L HN -0.014 nan 8.230 nan 0.000 0.445 181 P HA 0.021 nan 4.420 nan 0.000 0.267 181 P C -0.604 176.552 177.300 -0.239 0.000 1.205 181 P CA -0.252 62.757 63.100 -0.152 0.000 0.765 181 P CB 0.836 32.441 31.700 -0.158 0.000 0.828 182 S N 3.100 118.720 115.700 -0.132 0.000 2.592 182 S HA 0.296 4.766 4.470 0.001 0.000 0.271 182 S C -0.438 174.060 174.600 -0.171 0.000 1.326 182 S CA -0.355 57.801 58.200 -0.074 0.000 1.024 182 S CB -0.005 63.258 63.200 0.106 0.000 0.921 182 S HN 0.320 nan 8.310 nan 0.000 0.527 183 Y N 0.226 120.544 120.300 0.030 0.000 2.323 183 Y HA 0.442 4.993 4.550 0.001 0.000 0.331 183 Y C 1.114 176.924 175.900 -0.149 0.000 1.092 183 Y CA -0.882 57.212 58.100 -0.010 0.000 1.150 183 Y CB 0.901 39.357 38.460 -0.007 0.000 1.200 183 Y HN 0.498 nan 8.280 nan 0.000 0.472 184 R N 3.667 124.110 120.500 -0.095 0.000 2.267 184 R HA 0.203 4.543 4.340 0.001 0.000 0.319 184 R C 0.218 176.273 176.300 -0.409 0.000 1.067 184 R CA 0.063 55.795 56.100 -0.613 0.000 0.936 184 R CB 0.609 30.378 30.300 -0.886 0.000 1.006 184 R HN 0.781 nan 8.270 nan 0.000 0.452 185 I N 1.325 121.554 120.570 -0.569 0.000 2.731 185 I HA -0.037 4.134 4.170 0.001 0.000 0.260 185 I C 1.273 177.192 176.117 -0.329 0.000 1.138 185 I CA 1.026 62.118 61.300 -0.347 0.000 1.461 185 I CB -0.497 37.258 38.000 -0.410 0.000 1.128 185 I HN 0.495 nan 8.210 nan 0.000 0.438 186 T N -3.784 110.428 114.554 -0.570 0.000 2.907 186 T HA 0.426 4.776 4.350 0.001 0.000 0.292 186 T C -0.690 173.693 174.700 -0.528 0.000 1.043 186 T CA -0.508 61.365 62.100 -0.379 0.000 1.003 186 T CB 2.046 70.670 68.868 -0.406 0.000 1.084 186 T HN 0.169 nan 8.240 nan 0.000 0.483 187 W N 0.113 121.305 121.300 -0.181 0.000 2.324 187 W HA 0.233 4.894 4.660 0.001 0.000 0.316 187 W C 1.879 178.346 176.519 -0.086 0.000 0.927 187 W CA -0.052 57.221 57.345 -0.119 0.000 1.438 187 W CB 0.109 29.518 29.460 -0.086 0.000 1.085 187 W HN 0.907 nan 8.180 nan 0.000 0.532 188 T N -2.452 112.146 114.554 0.075 0.000 3.107 188 T HA 0.262 4.613 4.350 0.001 0.000 0.249 188 T C 1.238 175.937 174.700 -0.001 0.000 1.096 188 T CA 0.221 62.347 62.100 0.045 0.000 1.012 188 T CB -0.209 68.683 68.868 0.040 0.000 0.977 188 T HN 0.026 nan 8.240 nan 0.000 0.527 189 G N 1.418 110.188 108.800 -0.050 0.000 2.202 189 G HA2 0.302 4.263 3.960 0.001 0.000 0.251 189 G HA3 0.302 4.263 3.960 0.001 0.000 0.251 189 G C -0.536 174.308 174.900 -0.094 0.000 1.219 189 G CA -0.367 44.681 45.100 -0.087 0.000 0.943 189 G HN 0.544 nan 8.290 nan 0.000 0.465 190 K N 2.496 122.824 120.400 -0.120 0.000 2.652 190 K HA 0.142 4.463 4.320 0.001 0.000 0.249 190 K C 0.019 176.503 176.600 -0.194 0.000 0.986 190 K CA -0.636 55.577 56.287 -0.123 0.000 0.867 190 K CB 1.222 33.686 32.500 -0.059 0.000 1.201 190 K HN 0.629 nan 8.250 nan 0.000 0.450 191 E N 3.317 123.399 120.200 -0.197 0.000 2.900 191 E HA -0.202 4.149 4.350 0.001 0.000 0.259 191 E C -0.547 175.950 176.600 -0.173 0.000 0.918 191 E CA 1.234 57.509 56.400 -0.209 0.000 0.960 191 E CB 0.217 29.833 29.700 -0.140 0.000 0.908 191 E HN 0.686 nan 8.360 nan 0.000 0.511 192 D N 2.373 122.635 120.400 -0.230 0.000 3.059 192 D HA -0.243 4.398 4.640 0.001 0.000 0.213 192 D C 0.606 176.943 176.300 0.062 0.000 1.144 192 D CA 1.346 55.339 54.000 -0.012 0.000 0.975 192 D CB -0.476 40.368 40.800 0.073 0.000 1.125 192 D HN 0.416 nan 8.370 nan 0.000 0.412 193 I N -1.064 119.464 120.570 -0.069 0.000 3.669 193 I HA 0.103 4.274 4.170 0.001 0.000 0.255 193 I C 0.779 176.987 176.117 0.152 0.000 1.144 193 I CA 0.377 61.727 61.300 0.085 0.000 1.447 193 I CB 0.150 38.174 38.000 0.040 0.000 1.622 193 I HN -0.134 nan 8.210 nan 0.000 0.435 194 I N 2.046 122.624 120.570 0.013 0.000 2.355 194 I HA 0.259 4.429 4.170 0.001 0.000 0.288 194 I C -1.237 174.912 176.117 0.053 0.000 0.999 194 I CA -0.521 60.851 61.300 0.120 0.000 1.163 194 I CB 0.856 38.897 38.000 0.069 0.000 1.316 194 I HN 0.038 nan 8.210 nan 0.000 0.454 195 Y N 4.837 125.231 120.300 0.158 0.000 2.356 195 Y HA 0.384 4.935 4.550 0.001 0.000 0.334 195 Y C 0.458 176.428 175.900 0.117 0.000 0.958 195 Y CA -0.781 57.413 58.100 0.156 0.000 1.196 195 Y CB 0.879 39.501 38.460 0.270 0.000 1.137 195 Y HN 0.409 nan 8.280 nan 0.000 0.485 196 N N 2.177 120.947 118.700 0.118 0.000 2.424 196 N HA 0.339 5.080 4.740 0.001 0.000 0.271 196 N C 0.890 176.343 175.510 -0.096 0.000 0.985 196 N CA 0.456 53.502 53.050 -0.007 0.000 0.921 196 N CB 1.864 40.243 38.487 -0.180 0.000 1.149 196 N HN 0.961 nan 8.380 nan 0.000 0.492 197 G N 1.541 110.300 108.800 -0.068 0.000 2.184 197 G HA2 -0.259 3.701 3.960 0.001 0.000 0.264 197 G HA3 -0.259 3.701 3.960 0.001 0.000 0.264 197 G C 0.138 174.895 174.900 -0.239 0.000 0.975 197 G CA 0.829 45.818 45.100 -0.185 0.000 0.642 197 G HN 0.669 nan 8.290 nan 0.000 0.536 198 I N -1.960 118.545 120.570 -0.109 0.000 2.969 198 I HA 0.817 4.988 4.170 0.001 0.000 0.307 198 I C 0.272 176.442 176.117 0.089 0.000 1.149 198 I CA -0.647 60.515 61.300 -0.231 0.000 1.008 198 I CB 2.018 39.705 38.000 -0.522 0.000 1.232 198 I HN 0.179 nan 8.210 nan 0.000 0.435 199 T N -0.505 114.045 114.554 -0.007 0.000 2.902 199 T HA 0.415 4.765 4.350 0.001 0.000 0.280 199 T C -0.206 174.316 174.700 -0.298 0.000 0.992 199 T CA -0.630 61.313 62.100 -0.261 0.000 1.015 199 T CB 1.361 70.146 68.868 -0.139 0.000 1.044 199 T HN 0.767 nan 8.240 nan 0.000 0.520 200 D N -0.078 119.871 120.400 -0.751 0.000 2.478 200 D HA 0.057 4.698 4.640 0.001 0.000 0.269 200 D C 0.968 177.215 176.300 -0.089 0.000 1.232 200 D CA -1.126 52.451 54.000 -0.705 0.000 1.059 200 D CB 0.022 40.341 40.800 -0.802 0.000 1.104 200 D HN 0.716 nan 8.370 nan 0.000 0.566 201 W N -0.005 121.263 121.300 -0.053 0.000 2.333 201 W HA -0.220 4.441 4.660 0.001 0.000 0.316 201 W C 2.165 178.600 176.519 -0.140 0.000 1.215 201 W CA 2.308 59.621 57.345 -0.054 0.000 1.278 201 W CB -0.400 28.967 29.460 -0.155 0.000 1.154 201 W HN 0.181 nan 8.180 nan 0.000 0.486 202 V N -0.152 119.891 119.914 0.214 0.000 2.358 202 V HA -0.298 3.823 4.120 0.001 0.000 0.246 202 V C 1.884 177.857 176.094 -0.202 0.000 1.047 202 V CA 2.032 64.341 62.300 0.014 0.000 1.035 202 V CB -0.761 31.042 31.823 -0.034 0.000 0.658 202 V HN 0.301 nan 8.190 nan 0.000 0.452 203 Y N 0.569 120.723 120.300 -0.245 0.000 2.293 203 Y HA -0.162 4.389 4.550 0.001 0.000 0.291 203 Y C 2.580 178.411 175.900 -0.115 0.000 1.137 203 Y CA 2.047 60.014 58.100 -0.223 0.000 1.202 203 Y CB -0.000 38.186 38.460 -0.455 0.000 0.990 203 Y HN 0.403 nan 8.280 nan 0.000 0.537 204 E N 0.299 120.485 120.200 -0.024 0.000 2.047 204 E HA -0.270 4.081 4.350 0.001 0.000 0.191 204 E C 2.000 178.582 176.600 -0.030 0.000 0.987 204 E CA 1.482 57.893 56.400 0.019 0.000 0.799 204 E CB 0.028 29.728 29.700 0.000 0.000 0.752 204 E HN 0.405 nan 8.360 nan 0.000 0.449 205 E N 0.436 120.438 120.200 -0.331 0.000 2.051 205 E HA -0.146 4.205 4.350 0.001 0.000 0.189 205 E C 1.746 178.239 176.600 -0.177 0.000 0.979 205 E CA 1.516 57.696 56.400 -0.367 0.000 0.803 205 E CB 0.094 29.226 29.700 -0.948 0.000 0.761 205 E HN 0.219 nan 8.360 nan 0.000 0.451 206 E N -0.577 119.496 120.200 -0.212 0.000 2.415 206 E HA 0.065 4.416 4.350 0.001 0.000 0.197 206 E C 1.749 178.222 176.600 -0.210 0.000 1.007 206 E CA 0.470 56.781 56.400 -0.148 0.000 0.890 206 E CB 0.911 30.518 29.700 -0.156 0.000 0.891 206 E HN 0.223 nan 8.360 nan 0.000 0.496 207 V N -0.642 119.103 119.914 -0.282 0.000 2.840 207 V HA 0.050 4.171 4.120 0.001 0.000 0.234 207 V C 1.433 177.270 176.094 -0.428 0.000 1.159 207 V CA 0.568 62.605 62.300 -0.438 0.000 1.194 207 V CB -0.269 31.148 31.823 -0.677 0.000 0.971 207 V HN 0.014 nan 8.190 nan 0.000 0.494 208 F N 0.740 120.722 119.950 0.054 0.000 2.754 208 F HA 0.280 4.808 4.527 0.001 0.000 0.297 208 F C 1.560 177.337 175.800 -0.038 0.000 1.122 208 F CA 0.313 58.355 58.000 0.068 0.000 1.400 208 F CB -0.288 38.796 39.000 0.141 0.000 1.117 208 F HN 0.069 nan 8.300 nan 0.000 0.587 209 S N 0.445 116.173 115.700 0.046 0.000 3.614 209 S HA 0.010 4.480 4.470 0.001 0.000 0.360 209 S C 0.057 174.262 174.600 -0.659 0.000 1.023 209 S CA 0.400 58.500 58.200 -0.168 0.000 1.114 209 S CB -1.756 61.390 63.200 -0.090 0.000 0.907 209 S HN 0.670 nan 8.310 nan 0.000 0.470 210 A N -0.527 122.135 122.820 -0.263 0.000 2.597 210 A HA 0.691 5.012 4.320 0.001 0.000 0.292 210 A C -0.333 177.238 177.584 -0.022 0.000 1.057 210 A CA -0.483 51.413 52.037 -0.236 0.000 0.674 210 A CB 0.302 19.172 19.000 -0.216 0.000 1.278 210 A HN 0.366 nan 8.150 nan 0.000 0.416 211 Y N 1.394 121.539 120.300 -0.258 0.000 2.397 211 Y HA 0.214 4.765 4.550 0.001 0.000 0.292 211 Y C 1.551 177.175 175.900 -0.460 0.000 1.115 211 Y CA 0.879 58.837 58.100 -0.236 0.000 1.208 211 Y CB -0.008 38.352 38.460 -0.166 0.000 1.046 211 Y HN 0.776 nan 8.280 nan 0.000 0.552 212 S N 0.789 115.979 115.700 -0.851 0.000 2.564 212 S HA 0.472 4.943 4.470 0.001 0.000 0.278 212 S C 0.223 174.287 174.600 -0.893 0.000 1.333 212 S CA 0.081 57.522 58.200 -1.264 0.000 1.048 212 S CB 0.811 62.762 63.200 -2.082 0.000 0.900 212 S HN 0.444 nan 8.310 nan 0.000 0.505 213 A N 5.125 127.417 122.820 -0.880 0.000 2.992 213 A HA 0.523 4.843 4.320 0.001 0.000 0.263 213 A C -0.565 176.299 177.584 -1.200 0.000 0.928 213 A CA -0.550 50.868 52.037 -1.031 0.000 1.061 213 A CB -0.078 18.749 19.000 -0.288 0.000 1.173 213 A HN 0.751 nan 8.150 nan 0.000 0.482 214 L N 0.410 120.842 121.223 -1.318 0.000 2.386 214 L HA 0.615 4.956 4.340 0.001 0.000 0.271 214 L C -1.135 175.286 176.870 -0.749 0.000 0.993 214 L CA -0.559 53.834 54.840 -0.745 0.000 0.819 214 L CB 1.937 43.764 42.059 -0.386 0.000 1.294 214 L HN 0.464 nan 8.230 nan 0.000 0.414 215 W N 2.412 123.764 121.300 0.087 0.000 2.631 215 W HA 0.229 4.889 4.660 0.001 0.000 0.321 215 W C -1.072 175.689 176.519 0.403 0.000 1.004 215 W CA -1.053 56.468 57.345 0.294 0.000 1.291 215 W CB 1.284 30.973 29.460 0.382 0.000 1.300 215 W HN 0.499 nan 8.180 nan 0.000 0.422 216 W N 2.645 124.149 121.300 0.340 0.000 2.190 216 W HA 0.193 4.854 4.660 0.001 0.000 0.330 216 W C 1.364 177.673 176.519 -0.351 0.000 1.299 216 W CA 0.321 57.712 57.345 0.077 0.000 1.215 216 W CB 0.849 30.341 29.460 0.054 0.000 1.147 216 W HN 0.184 nan 8.180 nan 0.000 0.563 217 S N 2.801 118.200 115.700 -0.503 0.000 2.600 217 S HA 0.153 4.624 4.470 0.001 0.000 0.265 217 S C -1.750 172.546 174.600 -0.506 0.000 1.325 217 S CA -1.004 56.309 58.200 -1.477 0.000 1.002 217 S CB 0.945 63.403 63.200 -1.236 0.000 0.921 217 S HN 0.298 nan 8.310 nan 0.000 0.554 218 P HA -0.171 nan 4.420 nan 0.000 0.216 218 P C 0.852 178.097 177.300 -0.090 0.000 1.154 218 P CA 1.755 64.800 63.100 -0.091 0.000 0.865 218 P CB -0.207 31.498 31.700 0.009 0.000 0.789 219 N N -2.291 116.340 118.700 -0.116 0.000 2.230 219 N HA 0.148 4.889 4.740 0.001 0.000 0.202 219 N C 1.049 176.452 175.510 -0.179 0.000 1.119 219 N CA 0.480 53.458 53.050 -0.119 0.000 0.851 219 N CB -0.627 37.810 38.487 -0.084 0.000 0.990 219 N HN 0.171 nan 8.380 nan 0.000 0.497 220 G N -1.093 107.594 108.800 -0.189 0.000 2.157 220 G HA2 -0.328 3.632 3.960 0.001 0.000 0.248 220 G HA3 -0.328 3.632 3.960 0.001 0.000 0.248 220 G C 0.916 175.793 174.900 -0.038 0.000 0.979 220 G CA 0.717 45.687 45.100 -0.217 0.000 0.650 220 G HN 0.372 nan 8.290 nan 0.000 0.529 221 T N 0.064 114.532 114.554 -0.144 0.000 2.732 221 T HA 0.232 4.583 4.350 0.001 0.000 0.261 221 T C 0.869 175.399 174.700 -0.284 0.000 1.040 221 T CA 1.244 63.159 62.100 -0.308 0.000 1.145 221 T CB -0.079 68.426 68.868 -0.604 0.000 0.866 221 T HN 0.260 nan 8.240 nan 0.000 0.427 222 F N 0.560 120.542 119.950 0.053 0.000 2.397 222 F HA 0.616 5.144 4.527 0.001 0.000 0.331 222 F C -0.157 175.725 175.800 0.136 0.000 1.090 222 F CA -1.745 56.319 58.000 0.106 0.000 1.065 222 F CB 0.953 40.057 39.000 0.174 0.000 1.184 222 F HN -0.078 nan 8.300 nan 0.000 0.499 223 L N 2.833 124.234 121.223 0.297 0.000 2.372 223 L HA 0.786 5.126 4.340 0.001 0.000 0.273 223 L C -0.688 176.292 176.870 0.183 0.000 0.989 223 L CA -0.507 54.348 54.840 0.025 0.000 0.841 223 L CB 0.761 42.589 42.059 -0.385 0.000 1.225 223 L HN 0.656 nan 8.230 nan 0.000 0.414 224 A N 4.733 127.744 122.820 0.319 0.000 2.306 224 A HA 0.769 5.089 4.320 0.001 0.000 0.314 224 A C -1.356 176.344 177.584 0.192 0.000 1.164 224 A CA -0.263 51.854 52.037 0.133 0.000 0.822 224 A CB 0.528 19.692 19.000 0.273 0.000 1.130 224 A HN 0.863 nan 8.150 nan 0.000 0.496 225 Y N -1.369 118.780 120.300 -0.251 0.000 2.597 225 Y HA 0.788 5.338 4.550 0.001 0.000 0.340 225 Y C -0.303 175.487 175.900 -0.183 0.000 1.097 225 Y CA -0.947 57.085 58.100 -0.112 0.000 1.037 225 Y CB 0.963 39.312 38.460 -0.184 0.000 1.305 225 Y HN 0.901 nan 8.280 nan 0.000 0.463 226 A N 1.963 124.888 122.820 0.176 0.000 2.330 226 A HA 0.708 5.029 4.320 0.001 0.000 0.329 226 A C -1.288 176.246 177.584 -0.082 0.000 1.135 226 A CA -0.890 51.122 52.037 -0.042 0.000 0.817 226 A CB 1.855 20.773 19.000 -0.137 0.000 1.269 226 A HN 0.831 nan 8.150 nan 0.000 0.469 227 Q N 0.780 120.455 119.800 -0.209 0.000 2.321 227 Q HA 0.614 4.955 4.340 0.001 0.000 0.270 227 Q C -2.099 173.719 176.000 -0.302 0.000 1.032 227 Q CA -0.367 55.403 55.803 -0.054 0.000 0.784 227 Q CB 1.151 30.056 28.738 0.278 0.000 1.264 227 Q HN 0.590 nan 8.270 nan 0.000 0.448 228 F N 2.242 122.286 119.950 0.157 0.000 2.469 228 F HA 0.435 4.963 4.527 0.001 0.000 0.332 228 F C 0.383 176.323 175.800 0.233 0.000 1.103 228 F CA -0.881 57.182 58.000 0.105 0.000 0.979 228 F CB 1.512 40.472 39.000 -0.066 0.000 1.137 228 F HN 0.438 nan 8.300 nan 0.000 0.463 229 N N 1.822 120.739 118.700 0.362 0.000 2.479 229 N HA 0.228 4.969 4.740 0.001 0.000 0.261 229 N C -0.975 174.707 175.510 0.288 0.000 0.979 229 N CA -0.318 52.911 53.050 0.299 0.000 0.930 229 N CB 1.187 39.798 38.487 0.206 0.000 1.172 229 N HN 0.565 nan 8.380 nan 0.000 0.499 230 D N 1.396 121.988 120.400 0.320 0.000 2.424 230 D HA 0.139 4.780 4.640 0.001 0.000 0.220 230 D C 1.223 177.644 176.300 0.201 0.000 1.150 230 D CA 0.104 54.267 54.000 0.271 0.000 0.831 230 D CB 0.576 41.589 40.800 0.356 0.000 0.981 230 D HN 0.467 nan 8.370 nan 0.000 0.500 231 T N 0.509 115.166 114.554 0.171 0.000 2.653 231 T HA -0.242 4.109 4.350 0.001 0.000 0.267 231 T C 1.223 175.984 174.700 0.101 0.000 1.037 231 T CA 1.469 63.642 62.100 0.122 0.000 1.159 231 T CB -0.084 68.845 68.868 0.102 0.000 0.859 231 T HN 0.294 nan 8.240 nan 0.000 0.449 232 E N 0.219 120.478 120.200 0.099 0.000 2.451 232 E HA 0.205 4.556 4.350 0.001 0.000 0.194 232 E C -0.646 176.003 176.600 0.083 0.000 1.027 232 E CA -0.266 56.181 56.400 0.078 0.000 0.914 232 E CB 0.648 30.387 29.700 0.065 0.000 1.054 232 E HN 0.187 nan 8.360 nan 0.000 0.461 233 V N 3.255 123.232 119.914 0.104 0.000 2.455 233 V HA 0.140 4.261 4.120 0.001 0.000 0.273 233 V C -1.982 174.167 176.094 0.092 0.000 1.045 233 V CA -1.718 60.646 62.300 0.106 0.000 0.976 233 V CB 0.530 32.434 31.823 0.135 0.000 0.993 233 V HN 0.068 nan 8.190 nan 0.000 0.475 234 P HA 0.224 nan 4.420 nan 0.000 0.270 234 P C -0.752 176.584 177.300 0.060 0.000 1.223 234 P CA -0.192 62.943 63.100 0.059 0.000 0.785 234 P CB 0.503 32.235 31.700 0.054 0.000 0.923 235 L N 1.687 122.925 121.223 0.025 0.000 2.317 235 L HA 0.467 4.808 4.340 0.001 0.000 0.281 235 L C 0.223 177.048 176.870 -0.074 0.000 1.024 235 L CA -0.976 53.862 54.840 -0.003 0.000 0.810 235 L CB 1.109 43.162 42.059 -0.011 0.000 1.240 235 L HN 0.277 nan 8.230 nan 0.000 0.427 236 I N 2.258 122.735 120.570 -0.155 0.000 2.396 236 I HA 0.267 4.438 4.170 0.001 0.000 0.292 236 I C -0.350 175.619 176.117 -0.247 0.000 0.999 236 I CA 0.160 61.267 61.300 -0.322 0.000 1.310 236 I CB 0.828 38.365 38.000 -0.772 0.000 1.404 236 I HN 0.576 nan 8.210 nan 0.000 0.496 237 E N 7.319 127.396 120.200 -0.205 0.000 2.248 237 E HA 0.543 4.894 4.350 0.001 0.000 0.267 237 E C -1.771 174.773 176.600 -0.094 0.000 0.877 237 E CA -0.590 55.695 56.400 -0.191 0.000 0.759 237 E CB 2.167 31.781 29.700 -0.143 0.000 1.182 237 E HN 0.577 nan 8.360 nan 0.000 0.418 238 Y N -1.845 118.366 120.300 -0.148 0.000 2.656 238 Y HA 0.538 5.089 4.550 0.001 0.000 0.334 238 Y C -0.810 175.026 175.900 -0.106 0.000 1.179 238 Y CA -1.229 56.795 58.100 -0.127 0.000 1.050 238 Y CB 0.801 39.190 38.460 -0.118 0.000 1.308 238 Y HN 0.225 nan 8.280 nan 0.000 0.456 239 S N 1.629 117.335 115.700 0.010 0.000 2.584 239 S HA 0.544 5.015 4.470 0.001 0.000 0.273 239 S C -1.490 173.001 174.600 -0.181 0.000 1.311 239 S CA -0.389 57.679 58.200 -0.221 0.000 1.034 239 S CB 0.604 63.521 63.200 -0.472 0.000 0.939 239 S HN 0.534 nan 8.310 nan 0.000 0.513 240 F N 1.917 121.606 119.950 -0.434 0.000 2.536 240 F HA 0.430 4.958 4.527 0.001 0.000 0.322 240 F C -0.358 175.209 175.800 -0.388 0.000 1.144 240 F CA -0.868 56.980 58.000 -0.254 0.000 0.924 240 F CB 0.844 39.807 39.000 -0.063 0.000 1.181 240 F HN 0.650 nan 8.300 nan 0.000 0.438 241 Y N 2.619 122.719 120.300 -0.333 0.000 2.397 241 Y HA 0.144 4.695 4.550 0.001 0.000 0.292 241 Y C 1.702 177.544 175.900 -0.098 0.000 1.115 241 Y CA 1.110 59.108 58.100 -0.168 0.000 1.208 241 Y CB -0.527 37.823 38.460 -0.183 0.000 1.046 241 Y HN 0.729 nan 8.280 nan 0.000 0.552 242 S N -0.471 115.163 115.700 -0.111 0.000 3.569 242 S HA -0.208 4.263 4.470 0.001 0.000 0.635 242 S C -0.637 174.016 174.600 0.088 0.000 2.396 242 S CA 0.143 58.423 58.200 0.133 0.000 2.612 242 S CB -1.168 62.192 63.200 0.267 0.000 0.331 242 S HN 0.458 nan 8.310 nan 0.000 1.764 243 D N 1.483 121.950 120.400 0.111 0.000 2.368 243 D HA 0.155 4.796 4.640 0.001 0.000 0.240 243 D C 1.397 177.733 176.300 0.059 0.000 1.169 243 D CA 0.175 54.219 54.000 0.074 0.000 0.906 243 D CB 0.173 41.017 40.800 0.072 0.000 1.187 243 D HN 0.619 nan 8.370 nan 0.000 0.435 244 E N 0.341 120.563 120.200 0.037 0.000 2.171 244 E HA -0.233 4.118 4.350 0.001 0.000 0.197 244 E C 1.655 178.270 176.600 0.025 0.000 0.997 244 E CA 1.394 57.808 56.400 0.023 0.000 0.810 244 E CB 0.137 29.844 29.700 0.012 0.000 0.738 244 E HN 0.459 nan 8.360 nan 0.000 0.467 245 S N 0.161 115.881 115.700 0.034 0.000 2.447 245 S HA -0.143 4.328 4.470 0.001 0.000 0.233 245 S C 0.933 175.558 174.600 0.042 0.000 1.006 245 S CA 0.044 58.264 58.200 0.033 0.000 0.957 245 S CB -0.173 63.048 63.200 0.036 0.000 0.773 245 S HN 0.205 nan 8.310 nan 0.000 0.507 246 L N 2.528 123.786 121.223 0.058 0.000 2.433 246 L HA 0.284 4.625 4.340 0.001 0.000 0.275 246 L C 1.398 178.301 176.870 0.054 0.000 1.128 246 L CA 0.122 55.007 54.840 0.074 0.000 0.875 246 L CB 0.573 42.692 42.059 0.100 0.000 1.171 246 L HN 0.284 nan 8.230 nan 0.000 0.463 247 Q N 3.940 123.770 119.800 0.050 0.000 2.083 247 Q HA -0.087 4.254 4.340 0.001 0.000 0.198 247 Q C -0.482 175.421 176.000 -0.162 0.000 0.969 247 Q CA 1.314 57.087 55.803 -0.051 0.000 0.838 247 Q CB 0.112 28.833 28.738 -0.028 0.000 0.900 247 Q HN 0.678 nan 8.270 nan 0.000 0.436 248 Y N 0.775 121.088 120.300 0.022 0.000 2.331 248 Y HA 0.375 4.926 4.550 0.001 0.000 0.338 248 Y C -2.032 173.874 175.900 0.009 0.000 0.992 248 Y CA -2.885 55.223 58.100 0.014 0.000 1.121 248 Y CB 1.316 39.775 38.460 -0.000 0.000 1.184 248 Y HN 0.160 nan 8.280 nan 0.000 0.469 249 P HA -0.002 nan 4.420 nan 0.000 0.267 249 P C -0.678 176.620 177.300 -0.004 0.000 1.200 249 P CA -0.325 62.773 63.100 -0.004 0.000 0.772 249 P CB 0.680 32.316 31.700 -0.106 0.000 0.855 250 K N 1.234 121.618 120.400 -0.027 0.000 2.098 250 K HA 0.392 4.713 4.320 0.001 0.000 0.258 250 K C -0.779 175.772 176.600 -0.081 0.000 0.973 250 K CA -0.389 55.889 56.287 -0.015 0.000 0.898 250 K CB 0.668 33.192 32.500 0.039 0.000 1.057 250 K HN 0.314 nan 8.250 nan 0.000 0.447 251 T N 2.653 117.144 114.554 -0.104 0.000 2.756 251 T HA 0.240 4.591 4.350 0.001 0.000 0.290 251 T C -0.628 173.939 174.700 -0.222 0.000 0.985 251 T CA -0.635 61.366 62.100 -0.164 0.000 0.955 251 T CB 1.095 69.883 68.868 -0.133 0.000 0.930 251 T HN 0.292 nan 8.240 nan 0.000 0.451 252 V N 5.307 124.988 119.914 -0.389 0.000 2.498 252 V HA 0.414 4.535 4.120 0.001 0.000 0.279 252 V C 0.454 176.289 176.094 -0.432 0.000 1.048 252 V CA -0.525 61.504 62.300 -0.452 0.000 0.967 252 V CB 0.790 32.180 31.823 -0.721 0.000 0.988 252 V HN 0.709 nan 8.190 nan 0.000 0.473 253 R N 3.552 123.924 120.500 -0.212 0.000 2.439 253 R HA 0.720 5.061 4.340 0.001 0.000 0.310 253 R C -1.661 174.624 176.300 -0.024 0.000 0.955 253 R CA -0.594 55.426 56.100 -0.134 0.000 0.853 253 R CB 2.158 32.409 30.300 -0.082 0.000 1.171 253 R HN 0.508 nan 8.270 nan 0.000 0.449 254 V N 4.207 124.103 119.914 -0.029 0.000 2.525 254 V HA 0.296 4.417 4.120 0.001 0.000 0.299 254 V C -2.375 173.762 176.094 0.071 0.000 1.034 254 V CA -2.430 59.912 62.300 0.070 0.000 0.863 254 V CB 2.115 33.926 31.823 -0.020 0.000 0.999 254 V HN 0.613 nan 8.190 nan 0.000 0.423 255 P HA 0.105 nan 4.420 nan 0.000 0.260 255 P C -1.291 176.111 177.300 0.169 0.000 1.207 255 P CA 0.446 63.650 63.100 0.173 0.000 0.780 255 P CB -0.235 31.616 31.700 0.252 0.000 0.789 256 Y N 6.625 126.890 120.300 -0.058 0.000 2.301 256 Y HA 0.368 4.919 4.550 0.001 0.000 0.325 256 Y C -2.736 173.119 175.900 -0.074 0.000 1.103 256 Y CA -2.996 55.013 58.100 -0.152 0.000 1.182 256 Y CB 1.676 39.905 38.460 -0.385 0.000 1.139 256 Y HN 0.273 nan 8.280 nan 0.000 0.443 257 P HA 0.222 nan 4.420 nan 0.000 0.280 257 P C -0.866 176.458 177.300 0.041 0.000 1.300 257 P CA -0.082 63.045 63.100 0.045 0.000 0.785 257 P CB 1.312 33.027 31.700 0.025 0.000 0.874 258 K N 2.077 122.579 120.400 0.169 0.000 2.117 258 K HA 0.505 4.826 4.320 0.001 0.000 0.240 258 K C 0.566 177.247 176.600 0.134 0.000 1.031 258 K CA -0.754 55.649 56.287 0.194 0.000 0.909 258 K CB 0.540 33.181 32.500 0.235 0.000 1.097 258 K HN 0.446 nan 8.250 nan 0.000 0.492 259 A N 0.630 123.556 122.820 0.176 0.000 2.580 259 A HA 0.268 4.589 4.320 0.001 0.000 0.244 259 A C 1.197 178.815 177.584 0.055 0.000 1.045 259 A CA 1.054 53.188 52.037 0.162 0.000 0.761 259 A CB -1.227 17.952 19.000 0.298 0.000 0.962 259 A HN 0.898 nan 8.150 nan 0.000 0.512 260 G N 0.957 109.779 108.800 0.038 0.000 2.205 260 G HA2 0.087 4.048 3.960 0.001 0.000 0.261 260 G HA3 0.087 4.048 3.960 0.001 0.000 0.261 260 G C 0.722 175.631 174.900 0.016 0.000 0.980 260 G CA 0.837 45.934 45.100 -0.005 0.000 0.632 260 G HN 2.191 nan 8.290 nan 0.000 0.533 261 A N -0.355 122.490 122.820 0.042 0.000 2.267 261 A HA 0.730 5.051 4.320 0.001 0.000 0.271 261 A C 0.838 178.450 177.584 0.047 0.000 1.131 261 A CA 0.356 52.421 52.037 0.047 0.000 0.818 261 A CB 0.592 19.633 19.000 0.068 0.000 1.118 261 A HN 1.157 nan 8.150 nan 0.000 0.501 262 V N 2.389 122.333 119.914 0.050 0.000 2.479 262 V HA 0.051 4.172 4.120 0.001 0.000 0.281 262 V C 0.297 176.433 176.094 0.069 0.000 1.031 262 V CA -0.218 62.112 62.300 0.051 0.000 1.038 262 V CB -0.123 31.731 31.823 0.052 0.000 0.981 262 V HN 0.775 nan 8.190 nan 0.000 0.478 263 N N 6.334 125.073 118.700 0.066 0.000 2.493 263 N HA 0.464 5.205 4.740 0.001 0.000 0.275 263 N C -2.317 173.271 175.510 0.131 0.000 1.186 263 N CA -1.457 51.654 53.050 0.101 0.000 0.978 263 N CB 1.112 39.647 38.487 0.080 0.000 1.184 263 N HN 0.404 nan 8.380 nan 0.000 0.487 264 P HA 0.129 nan 4.420 nan 0.000 0.274 264 P C -0.515 176.934 177.300 0.248 0.000 1.237 264 P CA -0.201 63.047 63.100 0.246 0.000 0.793 264 P CB 0.467 32.356 31.700 0.314 0.000 0.977 265 T N -1.886 112.796 114.554 0.214 0.000 2.952 265 T HA 0.594 4.945 4.350 0.001 0.000 0.286 265 T C -0.307 174.510 174.700 0.195 0.000 1.024 265 T CA -0.842 61.345 62.100 0.145 0.000 1.029 265 T CB 1.485 70.410 68.868 0.095 0.000 1.094 265 T HN 0.335 nan 8.240 nan 0.000 0.515 266 V N 0.557 120.555 119.914 0.141 0.000 2.925 266 V HA 0.751 4.872 4.120 0.001 0.000 0.311 266 V C -1.545 174.617 176.094 0.113 0.000 1.104 266 V CA -0.843 61.495 62.300 0.064 0.000 0.954 266 V CB 2.097 33.964 31.823 0.074 0.000 1.022 266 V HN 1.058 nan 8.190 nan 0.000 0.427 267 K N 4.387 124.788 120.400 0.001 0.000 2.443 267 K HA 0.585 4.906 4.320 0.001 0.000 0.251 267 K C -1.933 174.565 176.600 -0.169 0.000 0.972 267 K CA -0.525 55.731 56.287 -0.052 0.000 0.833 267 K CB 2.817 35.243 32.500 -0.123 0.000 1.317 267 K HN 0.534 nan 8.250 nan 0.000 0.441 268 F N 2.026 121.672 119.950 -0.507 0.000 2.520 268 F HA 0.570 5.098 4.527 0.001 0.000 0.322 268 F C -1.432 173.823 175.800 -0.908 0.000 1.103 268 F CA -0.756 56.923 58.000 -0.535 0.000 0.926 268 F CB 0.840 39.656 39.000 -0.307 0.000 1.154 268 F HN 0.382 nan 8.300 nan 0.000 0.453 269 F N 3.783 122.964 119.950 -1.282 0.000 2.603 269 F HA 0.772 5.300 4.527 0.001 0.000 0.317 269 F C -0.969 174.150 175.800 -1.135 0.000 1.066 269 F CA -1.216 56.143 58.000 -1.069 0.000 0.941 269 F CB 2.099 40.384 39.000 -1.192 0.000 1.291 269 F HN 0.107 nan 8.300 nan 0.000 0.472 270 V N 2.412 122.085 119.914 -0.402 0.000 2.623 270 V HA 0.617 4.737 4.120 0.001 0.000 0.304 270 V C -1.209 174.935 176.094 0.085 0.000 1.054 270 V CA -0.807 61.334 62.300 -0.264 0.000 0.882 270 V CB 1.983 33.444 31.823 -0.604 0.000 1.002 270 V HN 0.621 nan 8.190 nan 0.000 0.424 271 V N 4.201 124.244 119.914 0.216 0.000 2.680 271 V HA 0.607 4.728 4.120 0.001 0.000 0.309 271 V C -0.455 175.868 176.094 0.382 0.000 1.052 271 V CA -0.614 61.854 62.300 0.281 0.000 0.908 271 V CB 2.200 34.142 31.823 0.199 0.000 1.001 271 V HN 0.921 nan 8.190 nan 0.000 0.431 272 N N 3.337 122.248 118.700 0.352 0.000 2.406 272 N HA 0.143 4.884 4.740 0.001 0.000 0.251 272 N C 0.967 176.507 175.510 0.050 0.000 1.069 272 N CA 0.595 53.777 53.050 0.221 0.000 0.947 272 N CB 1.660 40.258 38.487 0.186 0.000 1.111 272 N HN 0.930 nan 8.380 nan 0.000 0.497 273 T N -0.335 114.228 114.554 0.014 0.000 3.113 273 T HA 0.060 4.411 4.350 0.001 0.000 0.256 273 T C 0.663 175.324 174.700 -0.064 0.000 1.131 273 T CA 0.451 62.549 62.100 -0.003 0.000 1.074 273 T CB 0.169 69.124 68.868 0.146 0.000 0.944 273 T HN 0.227 nan 8.240 nan 0.000 0.516 274 D N 2.029 122.370 120.400 -0.097 0.000 2.323 274 D HA 0.051 4.691 4.640 0.001 0.000 0.209 274 D C 1.265 177.515 176.300 -0.083 0.000 0.973 274 D CA 0.747 54.689 54.000 -0.097 0.000 0.874 274 D CB 0.192 40.914 40.800 -0.131 0.000 0.930 274 D HN 0.637 nan 8.370 nan 0.000 0.521 275 S N 0.048 115.702 115.700 -0.076 0.000 2.457 275 S HA 0.338 4.809 4.470 0.001 0.000 0.237 275 S C 0.178 174.725 174.600 -0.088 0.000 1.213 275 S CA -0.646 57.523 58.200 -0.051 0.000 1.218 275 S CB -0.366 62.837 63.200 0.005 0.000 0.922 275 S HN -0.037 nan 8.310 nan 0.000 0.488 276 L N 1.632 122.724 121.223 -0.219 0.000 2.375 276 L HA 0.640 4.980 4.340 0.001 0.000 0.271 276 L C 0.448 177.176 176.870 -0.237 0.000 1.107 276 L CA -0.388 54.237 54.840 -0.357 0.000 0.806 276 L CB 1.616 43.143 42.059 -0.887 0.000 1.146 276 L HN 0.377 nan 8.230 nan 0.000 0.447 277 S N -0.489 115.192 115.700 -0.033 0.000 2.513 277 S HA 0.324 4.795 4.470 0.001 0.000 0.299 277 S C 0.582 175.371 174.600 0.314 0.000 1.087 277 S CA -0.541 57.744 58.200 0.142 0.000 1.012 277 S CB 1.677 64.933 63.200 0.094 0.000 1.044 277 S HN 0.654 nan 8.310 nan 0.000 0.485 278 S N 2.843 118.738 115.700 0.325 0.000 2.593 278 S HA 0.095 4.565 4.470 0.001 0.000 0.217 278 S C 1.021 175.707 174.600 0.144 0.000 0.966 278 S CA 0.098 58.438 58.200 0.233 0.000 0.914 278 S CB 0.036 63.315 63.200 0.133 0.000 0.776 278 S HN 0.497 nan 8.310 nan 0.000 0.523 279 V N 0.719 120.709 119.914 0.128 0.000 3.212 279 V HA 0.181 4.302 4.120 0.001 0.000 0.244 279 V C 0.778 176.916 176.094 0.074 0.000 1.151 279 V CA 0.820 63.171 62.300 0.084 0.000 1.119 279 V CB 0.130 31.992 31.823 0.064 0.000 0.838 279 V HN 0.447 nan 8.190 nan 0.000 0.470 280 T N 0.855 115.461 114.554 0.087 0.000 2.918 280 T HA 0.395 4.746 4.350 0.001 0.000 0.286 280 T C -0.350 174.407 174.700 0.094 0.000 1.026 280 T CA -0.474 61.665 62.100 0.065 0.000 1.031 280 T CB 1.315 70.214 68.868 0.050 0.000 1.046 280 T HN 0.074 nan 8.240 nan 0.000 0.479 281 N N 1.931 120.668 118.700 0.063 0.000 2.470 281 N HA 0.384 5.125 4.740 0.001 0.000 0.268 281 N C 0.220 175.791 175.510 0.103 0.000 1.136 281 N CA -0.188 52.928 53.050 0.110 0.000 0.961 281 N CB 0.829 39.318 38.487 0.004 0.000 1.067 281 N HN 0.853 nan 8.380 nan 0.000 0.468 282 A N 2.284 125.181 122.820 0.129 0.000 2.586 282 A HA 0.125 4.446 4.320 0.001 0.000 0.231 282 A C 0.271 177.904 177.584 0.081 0.000 1.055 282 A CA 0.363 52.448 52.037 0.079 0.000 0.756 282 A CB -0.066 18.963 19.000 0.049 0.000 0.988 282 A HN 0.565 nan 8.150 nan 0.000 0.509 283 T N 2.385 116.989 114.554 0.084 0.000 2.771 283 T HA 0.492 4.843 4.350 0.001 0.000 0.281 283 T C -0.052 174.725 174.700 0.129 0.000 0.982 283 T CA -0.195 61.963 62.100 0.097 0.000 0.978 283 T CB 1.101 70.031 68.868 0.105 0.000 0.930 283 T HN 0.551 nan 8.240 nan 0.000 0.447 284 S N 3.249 119.021 115.700 0.119 0.000 2.451 284 S HA 0.513 4.984 4.470 0.001 0.000 0.301 284 S C -0.082 174.653 174.600 0.226 0.000 1.116 284 S CA -0.813 57.480 58.200 0.154 0.000 1.093 284 S CB 0.465 63.691 63.200 0.044 0.000 1.017 284 S HN 0.479 nan 8.310 nan 0.000 0.482 285 I N 3.191 123.914 120.570 0.255 0.000 2.331 285 I HA 0.305 4.476 4.170 0.001 0.000 0.292 285 I C 0.504 176.743 176.117 0.203 0.000 0.998 285 I CA -0.341 61.121 61.300 0.271 0.000 1.267 285 I CB 1.151 39.383 38.000 0.387 0.000 1.386 285 I HN 0.669 nan 8.210 nan 0.000 0.476 286 Q N 6.183 126.080 119.800 0.163 0.000 2.259 286 Q HA 0.540 4.881 4.340 0.001 0.000 0.246 286 Q C -1.181 174.775 176.000 -0.074 0.000 0.920 286 Q CA -0.463 55.262 55.803 -0.130 0.000 0.895 286 Q CB 1.587 30.204 28.738 -0.201 0.000 1.220 286 Q HN 0.570 nan 8.270 nan 0.000 0.439 287 I N 4.101 124.600 120.570 -0.120 0.000 2.437 287 I HA 0.193 4.364 4.170 0.001 0.000 0.279 287 I C 0.005 176.129 176.117 0.012 0.000 1.028 287 I CA -0.747 60.564 61.300 0.017 0.000 1.142 287 I CB 1.437 39.500 38.000 0.104 0.000 1.266 287 I HN 0.714 nan 8.210 nan 0.000 0.461 288 T N 2.566 117.083 114.554 -0.061 0.000 2.860 288 T HA 0.562 4.913 4.350 0.001 0.000 0.299 288 T C 0.460 174.986 174.700 -0.289 0.000 1.045 288 T CA -0.724 61.284 62.100 -0.154 0.000 1.071 288 T CB 1.601 70.376 68.868 -0.155 0.000 0.985 288 T HN 0.562 nan 8.240 nan 0.000 0.537 289 A N 3.138 125.542 122.820 -0.692 0.000 2.304 289 A HA 0.629 4.949 4.320 0.001 0.000 0.271 289 A C -1.839 175.262 177.584 -0.805 0.000 1.091 289 A CA -1.773 49.425 52.037 -1.398 0.000 0.812 289 A CB -0.548 16.953 19.000 -2.499 0.000 1.056 289 A HN 0.809 nan 8.150 nan 0.000 0.489 290 P HA 0.106 nan 4.420 nan 0.000 0.271 290 P C 0.667 177.754 177.300 -0.355 0.000 1.233 290 P CA 0.600 63.471 63.100 -0.381 0.000 0.789 290 P CB 0.695 32.245 31.700 -0.250 0.000 0.951 291 A N 2.059 124.742 122.820 -0.228 0.000 1.972 291 A HA -0.161 4.159 4.320 0.001 0.000 0.219 291 A C 2.183 179.657 177.584 -0.183 0.000 1.169 291 A CA 2.074 53.995 52.037 -0.193 0.000 0.635 291 A CB -1.661 17.261 19.000 -0.131 0.000 0.810 291 A HN 0.667 nan 8.150 nan 0.000 0.446 292 S N -1.524 114.088 115.700 -0.147 0.000 2.507 292 S HA -0.040 4.430 4.470 0.001 0.000 0.235 292 S C 1.624 176.134 174.600 -0.150 0.000 0.988 292 S CA 1.368 59.498 58.200 -0.116 0.000 0.944 292 S CB -0.231 62.966 63.200 -0.005 0.000 0.762 292 S HN 0.385 nan 8.310 nan 0.000 0.526 293 M N 0.558 120.007 119.600 -0.252 0.000 2.691 293 M HA 0.392 4.873 4.480 0.001 0.000 0.261 293 M C 1.931 177.939 176.300 -0.487 0.000 1.227 293 M CA 0.580 55.662 55.300 -0.364 0.000 1.197 293 M CB -1.125 31.129 32.600 -0.578 0.000 1.294 293 M HN 0.304 nan 8.290 nan 0.000 0.508 294 L N 1.251 122.184 121.223 -0.483 0.000 2.349 294 L HA -0.148 4.193 4.340 0.001 0.000 0.220 294 L C 2.207 178.986 176.870 -0.152 0.000 1.130 294 L CA 0.739 55.379 54.840 -0.333 0.000 0.791 294 L CB -0.827 41.069 42.059 -0.272 0.000 0.918 294 L HN 0.322 nan 8.230 nan 0.000 0.444 295 I N -2.798 117.687 120.570 -0.142 0.000 3.083 295 I HA 0.115 4.286 4.170 0.001 0.000 0.273 295 I C 1.012 177.098 176.117 -0.050 0.000 1.297 295 I CA 0.594 61.841 61.300 -0.089 0.000 1.452 295 I CB -0.539 37.402 38.000 -0.100 0.000 1.078 295 I HN 0.108 nan 8.210 nan 0.000 0.484 296 G N -0.013 108.775 108.800 -0.019 0.000 2.561 296 G HA2 0.215 4.176 3.960 0.001 0.000 0.310 296 G HA3 0.215 4.176 3.960 0.001 0.000 0.310 296 G C -1.810 173.156 174.900 0.109 0.000 1.292 296 G CA -0.636 44.475 45.100 0.019 0.000 0.811 296 G HN 0.013 nan 8.290 nan 0.000 0.482 297 D N 1.193 121.610 120.400 0.029 0.000 2.423 297 D HA 0.435 5.076 4.640 0.001 0.000 0.238 297 D C 0.353 176.628 176.300 -0.042 0.000 1.142 297 D CA 0.796 54.763 54.000 -0.055 0.000 0.884 297 D CB 0.502 41.222 40.800 -0.133 0.000 1.199 297 D HN 0.583 nan 8.370 nan 0.000 0.438 298 H N -1.119 117.810 119.070 -0.234 0.000 2.902 298 H HA 0.410 4.967 4.556 0.001 0.000 0.297 298 H C -1.482 173.715 175.328 -0.218 0.000 1.406 298 H CA -0.784 55.143 56.048 -0.202 0.000 1.134 298 H CB 0.324 30.098 29.762 0.021 0.000 1.833 298 H HN 0.324 nan 8.280 nan 0.000 0.527 299 Y N -0.053 120.469 120.300 0.370 0.000 2.553 299 Y HA 0.429 4.979 4.550 0.001 0.000 0.347 299 Y C -0.495 175.682 175.900 0.462 0.000 1.019 299 Y CA -1.113 57.218 58.100 0.386 0.000 1.032 299 Y CB 2.019 40.563 38.460 0.140 0.000 1.284 299 Y HN 0.508 nan 8.280 nan 0.000 0.466 300 L N 2.808 124.386 121.223 0.592 0.000 2.276 300 L HA 0.486 4.827 4.340 0.001 0.000 0.286 300 L C 0.347 177.314 176.870 0.162 0.000 1.061 300 L CA -0.257 54.594 54.840 0.018 0.000 0.807 300 L CB 0.675 42.656 42.059 -0.130 0.000 1.177 300 L HN 0.990 nan 8.230 nan 0.000 0.429 301 C N 1.124 120.359 119.300 -0.108 0.000 3.724 301 C HA 0.530 4.991 4.460 0.001 0.000 0.327 301 C C 0.032 174.881 174.990 -0.236 0.000 1.490 301 C CA -0.394 58.488 59.018 -0.226 0.000 1.825 301 C CB -0.633 27.012 27.740 -0.158 0.000 2.613 301 C HN 0.846 nan 8.230 nan 0.000 0.692 302 D N 0.424 120.708 120.400 -0.193 0.000 2.886 302 D HA 0.447 5.088 4.640 0.001 0.000 0.216 302 D C -1.837 174.201 176.300 -0.435 0.000 1.256 302 D CA 0.129 54.029 54.000 -0.166 0.000 0.844 302 D CB 2.805 43.502 40.800 -0.172 0.000 1.669 302 D HN 0.064 nan 8.370 nan 0.000 0.513 303 V N 2.559 122.155 119.914 -0.530 0.000 2.482 303 V HA 0.532 4.653 4.120 0.001 0.000 0.295 303 V C -0.433 175.291 176.094 -0.616 0.000 1.026 303 V CA -0.397 61.349 62.300 -0.923 0.000 0.856 303 V CB 1.883 32.609 31.823 -1.827 0.000 1.001 303 V HN 0.633 nan 8.190 nan 0.000 0.424 304 T N 3.653 117.914 114.554 -0.489 0.000 3.031 304 T HA 0.334 4.685 4.350 0.001 0.000 0.305 304 T C -0.831 173.715 174.700 -0.257 0.000 0.985 304 T CA -0.458 61.510 62.100 -0.219 0.000 1.008 304 T CB 0.735 69.563 68.868 -0.068 0.000 1.005 304 T HN 0.521 nan 8.240 nan 0.000 0.444 305 W N 2.272 123.517 121.300 -0.092 0.000 2.251 305 W HA 0.443 5.104 4.660 0.001 0.000 0.327 305 W C 1.191 177.583 176.519 -0.212 0.000 1.361 305 W CA -0.249 57.030 57.345 -0.109 0.000 1.234 305 W CB 0.508 29.988 29.460 0.034 0.000 1.212 305 W HN 0.845 nan 8.180 nan 0.000 0.557 306 A N 2.217 124.884 122.820 -0.256 0.000 1.942 306 A HA 0.202 4.523 4.320 0.001 0.000 0.209 306 A C 0.888 178.433 177.584 -0.065 0.000 1.214 306 A CA 1.559 53.221 52.037 -0.625 0.000 0.686 306 A CB -0.306 17.852 19.000 -1.404 0.000 0.871 306 A HN 0.542 nan 8.150 nan 0.000 0.460 307 T N -5.788 108.830 114.554 0.107 0.000 2.671 307 T HA 0.321 4.672 4.350 0.001 0.000 0.300 307 T C 0.085 174.970 174.700 0.308 0.000 1.238 307 T CA -0.365 61.848 62.100 0.189 0.000 1.020 307 T CB 0.630 69.591 68.868 0.155 0.000 1.503 307 T HN -0.040 nan 8.240 nan 0.000 0.497 308 Q N 0.356 120.296 119.800 0.233 0.000 2.234 308 Q HA -0.041 4.299 4.340 0.001 0.000 0.206 308 Q C 0.854 177.120 176.000 0.443 0.000 0.980 308 Q CA 1.632 57.577 55.803 0.237 0.000 0.869 308 Q CB -0.145 28.685 28.738 0.154 0.000 0.912 308 Q HN 0.833 nan 8.270 nan 0.000 0.436 309 E N -0.362 120.107 120.200 0.448 0.000 2.810 309 E HA 0.188 4.539 4.350 0.001 0.000 0.214 309 E C -0.171 176.733 176.600 0.506 0.000 0.980 309 E CA -0.183 56.524 56.400 0.511 0.000 1.159 309 E CB 1.034 30.938 29.700 0.340 0.000 1.047 309 E HN -0.020 nan 8.360 nan 0.000 0.484 310 R N 1.569 122.355 120.500 0.476 0.000 2.575 310 R HA 0.578 4.919 4.340 0.001 0.000 0.293 310 R C -1.687 174.629 176.300 0.026 0.000 0.983 310 R CA -0.483 55.767 56.100 0.250 0.000 0.887 310 R CB 1.386 31.724 30.300 0.064 0.000 1.184 310 R HN 0.060 nan 8.270 nan 0.000 0.445 311 I N 2.907 123.333 120.570 -0.239 0.000 2.647 311 I HA 0.434 4.605 4.170 0.001 0.000 0.295 311 I C -1.042 174.753 176.117 -0.536 0.000 1.078 311 I CA -0.480 60.393 61.300 -0.712 0.000 1.048 311 I CB 2.314 39.496 38.000 -1.362 0.000 1.239 311 I HN 0.879 nan 8.210 nan 0.000 0.421 312 S N 7.395 122.758 115.700 -0.562 0.000 2.532 312 S HA 0.849 5.320 4.470 0.001 0.000 0.301 312 S C -1.080 173.202 174.600 -0.529 0.000 1.083 312 S CA -0.693 57.265 58.200 -0.403 0.000 1.025 312 S CB 1.805 64.879 63.200 -0.210 0.000 1.056 312 S HN 0.551 nan 8.310 nan 0.000 0.494 313 L N 1.283 122.217 121.223 -0.482 0.000 2.445 313 L HA 0.567 4.908 4.340 0.001 0.000 0.262 313 L C -0.645 175.936 176.870 -0.482 0.000 0.974 313 L CA -0.768 53.675 54.840 -0.662 0.000 0.822 313 L CB 2.262 43.784 42.059 -0.894 0.000 1.339 313 L HN 0.674 nan 8.230 nan 0.000 0.409 314 Q N 1.170 120.657 119.800 -0.522 0.000 2.337 314 Q HA 0.492 4.833 4.340 0.001 0.000 0.266 314 Q C -1.802 173.977 176.000 -0.368 0.000 1.023 314 Q CA -0.594 55.031 55.803 -0.297 0.000 0.829 314 Q CB 2.580 31.200 28.738 -0.197 0.000 1.306 314 Q HN 0.422 nan 8.270 nan 0.000 0.449 315 W N 2.268 123.541 121.300 -0.046 0.000 2.689 315 W HA 0.613 5.274 4.660 0.001 0.000 0.340 315 W C -0.930 175.641 176.519 0.086 0.000 1.060 315 W CA -0.646 56.723 57.345 0.040 0.000 1.218 315 W CB 1.107 30.576 29.460 0.015 0.000 1.410 315 W HN 0.383 nan 8.180 nan 0.000 0.528 316 L N 2.830 124.296 121.223 0.404 0.000 2.386 316 L HA 0.591 4.932 4.340 0.001 0.000 0.271 316 L C -0.084 176.999 176.870 0.356 0.000 0.993 316 L CA -1.128 53.910 54.840 0.330 0.000 0.819 316 L CB 1.323 43.553 42.059 0.284 0.000 1.294 316 L HN 0.412 nan 8.230 nan 0.000 0.414 317 R N 2.352 123.021 120.500 0.281 0.000 2.615 317 R HA 0.258 4.599 4.340 0.001 0.000 0.270 317 R C 0.951 177.331 176.300 0.133 0.000 1.081 317 R CA -0.277 55.933 56.100 0.183 0.000 1.154 317 R CB 0.613 30.994 30.300 0.135 0.000 1.063 317 R HN 0.647 nan 8.270 nan 0.000 0.519 318 R N 1.043 121.538 120.500 -0.009 0.000 2.105 318 R HA -0.075 4.266 4.340 0.001 0.000 0.239 318 R C 0.432 176.795 176.300 0.105 0.000 1.135 318 R CA 1.174 57.260 56.100 -0.024 0.000 0.967 318 R CB 0.136 30.373 30.300 -0.105 0.000 0.861 318 R HN 0.369 nan 8.270 nan 0.000 0.442 319 I N 2.842 123.457 120.570 0.075 0.000 2.329 319 I HA -0.009 4.162 4.170 0.001 0.000 0.295 319 I C 0.252 176.437 176.117 0.113 0.000 1.109 319 I CA 0.458 61.803 61.300 0.075 0.000 1.297 319 I CB 0.824 38.852 38.000 0.047 0.000 1.433 319 I HN 0.287 nan 8.210 nan 0.000 0.509 320 Q N 4.598 124.465 119.800 0.112 0.000 2.294 320 Q HA -0.078 4.263 4.340 0.001 0.000 0.207 320 Q C 0.486 176.573 176.000 0.144 0.000 0.887 320 Q CA 0.164 56.044 55.803 0.130 0.000 0.987 320 Q CB -0.363 28.412 28.738 0.060 0.000 1.101 320 Q HN 0.617 nan 8.270 nan 0.000 0.447 321 N N -0.844 117.945 118.700 0.148 0.000 2.291 321 N HA -0.016 4.725 4.740 0.001 0.000 0.244 321 N C -1.259 174.369 175.510 0.196 0.000 1.216 321 N CA -0.319 52.810 53.050 0.132 0.000 0.879 321 N CB 0.306 38.845 38.487 0.086 0.000 1.167 321 N HN 0.164 nan 8.380 nan 0.000 0.515 322 Y N 1.099 121.432 120.300 0.055 0.000 2.298 322 Y HA 0.480 5.030 4.550 0.001 0.000 0.322 322 Y C -1.261 174.681 175.900 0.072 0.000 1.138 322 Y CA -0.911 57.220 58.100 0.051 0.000 1.127 322 Y CB 1.079 39.561 38.460 0.036 0.000 1.178 322 Y HN 0.183 nan 8.280 nan 0.000 0.428 323 S N 3.915 119.548 115.700 -0.112 0.000 2.599 323 S HA 0.947 5.418 4.470 0.001 0.000 0.294 323 S C -1.718 172.818 174.600 -0.107 0.000 1.094 323 S CA -0.778 57.423 58.200 0.002 0.000 0.931 323 S CB 2.176 65.393 63.200 0.029 0.000 1.093 323 S HN 0.428 nan 8.310 nan 0.000 0.488 324 V N 2.489 122.431 119.914 0.047 0.000 2.577 324 V HA 0.491 4.611 4.120 0.001 0.000 0.303 324 V C -0.565 175.586 176.094 0.095 0.000 1.042 324 V CA -0.605 61.721 62.300 0.044 0.000 0.872 324 V CB 1.757 33.636 31.823 0.093 0.000 0.998 324 V HN 1.029 nan 8.190 nan 0.000 0.423 325 M N 3.784 123.404 119.600 0.033 0.000 2.180 325 M HA 0.516 4.997 4.480 0.001 0.000 0.350 325 M C -1.287 175.037 176.300 0.040 0.000 1.125 325 M CA -0.242 55.054 55.300 -0.006 0.000 1.031 325 M CB 1.106 33.653 32.600 -0.088 0.000 1.623 325 M HN 0.624 nan 8.290 nan 0.000 0.451 326 D N 4.992 125.407 120.400 0.025 0.000 2.185 326 D HA 0.527 5.168 4.640 0.001 0.000 0.247 326 D C -0.997 175.285 176.300 -0.030 0.000 1.027 326 D CA -0.079 53.936 54.000 0.026 0.000 0.861 326 D CB 1.744 42.585 40.800 0.069 0.000 1.202 326 D HN 0.582 nan 8.370 nan 0.000 0.453 327 I N 2.550 123.125 120.570 0.009 0.000 2.382 327 I HA 0.274 4.444 4.170 0.001 0.000 0.285 327 I C -0.601 175.521 176.117 0.009 0.000 1.007 327 I CA -0.604 60.694 61.300 -0.005 0.000 1.142 327 I CB 1.148 39.201 38.000 0.088 0.000 1.289 327 I HN 0.168 nan 8.210 nan 0.000 0.453 328 c N 3.921 122.514 118.600 -0.012 0.000 2.351 328 c HA 0.515 5.086 4.570 0.001 0.000 0.326 328 c C -0.180 174.054 174.090 0.240 0.000 1.272 328 c CA -0.732 55.662 56.329 0.107 0.000 1.650 328 c CB 0.725 43.309 42.510 0.122 0.000 2.257 328 c HN 0.581 nan 8.230 nan 0.000 0.505 329 D N 0.546 121.066 120.400 0.199 0.000 2.192 329 D HA 0.336 4.977 4.640 0.001 0.000 0.246 329 D C -0.578 175.662 176.300 -0.100 0.000 1.042 329 D CA -0.183 53.893 54.000 0.127 0.000 0.847 329 D CB 0.791 41.618 40.800 0.045 0.000 1.186 329 D HN 0.571 nan 8.370 nan 0.000 0.461 330 Y N 1.652 121.598 120.300 -0.589 0.000 2.359 330 Y HA 0.213 4.764 4.550 0.001 0.000 0.330 330 Y C -0.163 175.440 175.900 -0.496 0.000 1.143 330 Y CA 0.027 57.444 58.100 -1.138 0.000 1.318 330 Y CB 0.793 38.453 38.460 -1.333 0.000 1.234 330 Y HN 0.192 nan 8.280 nan 0.000 0.522 331 D N 5.466 125.183 120.400 -1.138 0.000 2.441 331 D HA 0.126 4.767 4.640 0.001 0.000 0.231 331 D C 0.189 175.920 176.300 -0.948 0.000 1.073 331 D CA -0.151 53.403 54.000 -0.743 0.000 0.850 331 D CB 0.938 41.456 40.800 -0.471 0.000 1.062 331 D HN 0.847 nan 8.370 nan 0.000 0.524 332 E N 1.159 121.013 120.200 -0.577 0.000 2.204 332 E HA -0.116 4.235 4.350 0.001 0.000 0.195 332 E C 1.496 177.975 176.600 -0.202 0.000 0.990 332 E CA 0.795 57.011 56.400 -0.307 0.000 0.821 332 E CB 0.391 30.068 29.700 -0.039 0.000 0.750 332 E HN 0.363 nan 8.360 nan 0.000 0.477 333 S N 0.816 116.398 115.700 -0.196 0.000 2.336 333 S HA -0.158 4.313 4.470 0.001 0.000 0.214 333 S C 2.274 176.802 174.600 -0.120 0.000 1.032 333 S CA 1.460 59.589 58.200 -0.120 0.000 1.001 333 S CB -0.320 62.820 63.200 -0.100 0.000 0.953 333 S HN 0.386 nan 8.310 nan 0.000 0.430 334 S N 0.643 116.247 115.700 -0.161 0.000 2.406 334 S HA 0.224 4.695 4.470 0.001 0.000 0.228 334 S C 1.664 176.192 174.600 -0.121 0.000 1.020 334 S CA 1.008 59.135 58.200 -0.121 0.000 0.965 334 S CB -0.590 62.540 63.200 -0.117 0.000 0.798 334 S HN 1.062 nan 8.310 nan 0.000 0.488 335 G N 1.421 110.064 108.800 -0.262 0.000 2.136 335 G HA2 -0.196 3.765 3.960 0.001 0.000 0.242 335 G HA3 -0.196 3.765 3.960 0.001 0.000 0.242 335 G C 0.137 174.984 174.900 -0.089 0.000 0.989 335 G CA 0.096 45.099 45.100 -0.161 0.000 0.682 335 G HN 0.540 nan 8.290 nan 0.000 0.522 336 R N -1.471 118.883 120.500 -0.244 0.000 2.705 336 R HA 0.705 5.045 4.340 0.001 0.000 0.246 336 R C -0.674 175.440 176.300 -0.309 0.000 1.142 336 R CA -0.941 55.100 56.100 -0.098 0.000 1.114 336 R CB 0.406 30.680 30.300 -0.043 0.000 1.256 336 R HN 0.187 nan 8.270 nan 0.000 0.536 337 W N 0.400 121.705 121.300 0.008 0.000 2.538 337 W HA 0.409 5.070 4.660 0.001 0.000 0.322 337 W C -0.353 176.151 176.519 -0.025 0.000 1.028 337 W CA -0.378 56.970 57.345 0.004 0.000 1.228 337 W CB 0.996 30.460 29.460 0.008 0.000 1.356 337 W HN 0.398 nan 8.180 nan 0.000 0.452 338 N N 2.190 120.948 118.700 0.096 0.000 2.399 338 N HA 0.576 5.317 4.740 0.001 0.000 0.295 338 N C -1.395 174.156 175.510 0.068 0.000 1.048 338 N CA -0.699 52.382 53.050 0.052 0.000 0.886 338 N CB 1.294 39.772 38.487 -0.014 0.000 1.185 338 N HN 0.183 nan 8.380 nan 0.000 0.487 339 c N 2.854 121.481 118.600 0.044 0.000 2.409 339 c HA 0.343 4.914 4.570 0.001 0.000 0.297 339 c C 0.353 174.448 174.090 0.008 0.000 1.083 339 c CA -1.064 55.285 56.329 0.032 0.000 1.515 339 c CB -1.299 41.226 42.510 0.025 0.000 1.869 339 c HN 0.645 nan 8.230 nan 0.000 0.413 340 L N 2.480 123.709 121.223 0.010 0.000 2.559 340 L HA 0.006 4.347 4.340 0.001 0.000 0.274 340 L C 1.586 178.446 176.870 -0.017 0.000 1.205 340 L CA 0.182 55.020 54.840 -0.004 0.000 0.907 340 L CB 0.539 42.600 42.059 0.003 0.000 1.153 340 L HN 0.594 nan 8.230 nan 0.000 0.490 341 V N 3.269 123.166 119.914 -0.029 0.000 2.469 341 V HA -0.330 3.791 4.120 0.001 0.000 0.251 341 V C 2.311 178.370 176.094 -0.058 0.000 1.064 341 V CA 2.023 64.297 62.300 -0.043 0.000 1.066 341 V CB -0.882 30.916 31.823 -0.042 0.000 0.667 341 V HN 1.028 nan 8.190 nan 0.000 0.461 342 A N -0.025 122.768 122.820 -0.045 0.000 2.067 342 A HA -0.123 4.197 4.320 0.001 0.000 0.219 342 A C 2.135 179.676 177.584 -0.073 0.000 1.158 342 A CA 1.123 53.128 52.037 -0.053 0.000 0.661 342 A CB -0.362 18.622 19.000 -0.027 0.000 0.801 342 A HN 0.573 nan 8.150 nan 0.000 0.452 343 R N -0.563 119.909 120.500 -0.047 0.000 2.515 343 R HA 0.188 4.529 4.340 0.001 0.000 0.294 343 R C 0.112 176.361 176.300 -0.085 0.000 1.021 343 R CA -0.150 55.945 56.100 -0.009 0.000 1.081 343 R CB 0.161 30.512 30.300 0.085 0.000 1.263 343 R HN 0.542 nan 8.270 nan 0.000 0.557 344 Q N 0.848 120.523 119.800 -0.208 0.000 2.243 344 Q HA 0.161 4.502 4.340 0.001 0.000 0.252 344 Q C -0.883 174.863 176.000 -0.424 0.000 0.909 344 Q CA -0.298 55.394 55.803 -0.184 0.000 0.922 344 Q CB 0.936 29.613 28.738 -0.103 0.000 1.215 344 Q HN 0.278 nan 8.270 nan 0.000 0.427 345 H N 3.980 123.046 119.070 -0.006 0.000 2.609 345 H HA 0.395 4.952 4.556 0.001 0.000 0.344 345 H C -0.637 174.656 175.328 -0.058 0.000 1.040 345 H CA -0.453 55.587 56.048 -0.012 0.000 1.216 345 H CB 1.084 30.824 29.762 -0.038 0.000 1.529 345 H HN 0.566 nan 8.280 nan 0.000 0.519 346 I N 1.872 122.448 120.570 0.009 0.000 2.498 346 I HA 0.223 4.393 4.170 0.001 0.000 0.301 346 I C 0.229 176.290 176.117 -0.093 0.000 0.984 346 I CA -0.288 60.936 61.300 -0.127 0.000 1.204 346 I CB 1.747 39.635 38.000 -0.188 0.000 1.362 346 I HN 0.492 nan 8.210 nan 0.000 0.471 347 E N 7.296 127.379 120.200 -0.195 0.000 2.274 347 E HA 0.522 4.873 4.350 0.001 0.000 0.269 347 E C -1.363 175.133 176.600 -0.173 0.000 0.891 347 E CA -0.641 55.699 56.400 -0.101 0.000 0.784 347 E CB 1.556 31.234 29.700 -0.036 0.000 1.225 347 E HN 0.617 nan 8.360 nan 0.000 0.412 348 M N 1.086 120.625 119.600 -0.102 0.000 2.719 348 M HA 0.699 5.180 4.480 0.001 0.000 0.291 348 M C -1.031 175.268 176.300 -0.001 0.000 1.264 348 M CA -0.950 54.321 55.300 -0.049 0.000 0.811 348 M CB 2.297 34.898 32.600 0.001 0.000 1.756 348 M HN 0.242 nan 8.290 nan 0.000 0.464 349 S N -0.727 114.981 115.700 0.014 0.000 2.547 349 S HA 0.566 5.037 4.470 0.001 0.000 0.281 349 S C 0.167 174.757 174.600 -0.016 0.000 1.118 349 S CA -0.024 58.166 58.200 -0.016 0.000 0.947 349 S CB 1.846 65.005 63.200 -0.069 0.000 1.053 349 S HN 0.911 nan 8.310 nan 0.000 0.482 350 T N -0.345 114.196 114.554 -0.021 0.000 3.014 350 T HA 0.065 4.416 4.350 0.001 0.000 0.250 350 T C 1.504 176.178 174.700 -0.044 0.000 1.060 350 T CA 0.909 62.999 62.100 -0.017 0.000 1.040 350 T CB -0.354 68.512 68.868 -0.003 0.000 0.971 350 T HN 0.665 nan 8.240 nan 0.000 0.497 351 T N -1.918 112.593 114.554 -0.072 0.000 3.014 351 T HA 0.607 4.958 4.350 0.001 0.000 0.250 351 T C 1.137 175.625 174.700 -0.353 0.000 1.060 351 T CA 0.399 62.444 62.100 -0.092 0.000 1.040 351 T CB 0.390 69.290 68.868 0.053 0.000 0.971 351 T HN 0.623 nan 8.240 nan 0.000 0.497 352 G N 0.344 108.771 108.800 -0.622 0.000 2.696 352 G HA2 0.470 4.431 3.960 0.001 0.000 0.151 352 G HA3 0.470 4.431 3.960 0.001 0.000 0.151 352 G C -1.567 173.063 174.900 -0.449 0.000 1.197 352 G CA -0.540 44.019 45.100 -0.901 0.000 1.053 352 G HN 0.481 nan 8.290 nan 0.000 0.546 353 W N -0.136 120.933 121.300 -0.384 0.000 2.181 353 W HA 0.759 5.419 4.660 0.001 0.000 0.415 353 W C -0.366 176.117 176.519 -0.061 0.000 1.689 353 W CA -1.234 56.007 57.345 -0.173 0.000 1.859 353 W CB 0.472 29.808 29.460 -0.206 0.000 1.425 353 W HN 0.270 nan 8.180 nan 0.000 0.713 354 V N 2.682 122.685 119.914 0.148 0.000 2.427 354 V HA 0.705 4.826 4.120 0.001 0.000 0.286 354 V C 0.766 176.942 176.094 0.136 0.000 1.034 354 V CA 0.258 62.598 62.300 0.067 0.000 0.893 354 V CB 0.064 31.927 31.823 0.066 0.000 0.982 354 V HN 1.290 nan 8.190 nan 0.000 0.452 355 G N 5.148 113.981 108.800 0.055 0.000 2.828 355 G HA2 -0.202 3.759 3.960 0.001 0.000 0.463 355 G HA3 -0.202 3.759 3.960 0.001 0.000 0.463 355 G C 0.369 175.351 174.900 0.138 0.000 1.394 355 G CA 0.311 45.465 45.100 0.089 0.000 0.862 355 G HN 0.659 nan 8.290 nan 0.000 0.540 356 R N -1.028 119.545 120.500 0.122 0.000 2.057 356 R HA 0.159 4.500 4.340 0.001 0.000 0.229 356 R C 1.824 178.093 176.300 -0.052 0.000 1.136 356 R CA 2.024 58.150 56.100 0.043 0.000 0.952 356 R CB -0.073 30.245 30.300 0.030 0.000 0.848 356 R HN 0.438 nan 8.270 nan 0.000 0.430 357 F N -0.444 119.641 119.950 0.224 0.000 2.798 357 F HA 0.292 4.820 4.527 0.001 0.000 0.328 357 F C 0.047 175.868 175.800 0.035 0.000 1.098 357 F CA -0.475 57.598 58.000 0.121 0.000 1.172 357 F CB 0.770 39.839 39.000 0.115 0.000 1.072 357 F HN -0.063 nan 8.300 nan 0.000 0.555 358 R N -2.143 118.483 120.500 0.211 0.000 3.288 358 R HA 0.244 4.585 4.340 0.001 0.000 0.284 358 R C -3.421 172.937 176.300 0.096 0.000 0.967 358 R CA -1.576 54.585 56.100 0.102 0.000 0.836 358 R CB -0.471 29.836 30.300 0.012 0.000 1.344 358 R HN -0.352 nan 8.270 nan 0.000 0.534 359 P HA -0.004 nan 4.420 nan 0.000 0.264 359 P C -0.298 177.025 177.300 0.039 0.000 1.183 359 P CA 0.158 63.280 63.100 0.036 0.000 0.763 359 P CB 0.708 32.407 31.700 -0.002 0.000 0.807 360 S N 1.799 117.533 115.700 0.058 0.000 2.600 360 S HA 0.166 4.637 4.470 0.001 0.000 0.265 360 S C 0.175 174.804 174.600 0.049 0.000 1.325 360 S CA -0.709 57.543 58.200 0.085 0.000 1.002 360 S CB 0.430 63.700 63.200 0.117 0.000 0.921 360 S HN 0.541 nan 8.310 nan 0.000 0.554 361 E N 1.228 121.480 120.200 0.087 0.000 2.301 361 E HA 0.400 4.751 4.350 0.001 0.000 0.275 361 E C -2.811 173.813 176.600 0.040 0.000 1.030 361 E CA -2.231 54.182 56.400 0.022 0.000 0.852 361 E CB 0.662 30.380 29.700 0.030 0.000 1.060 361 E HN 0.444 nan 8.360 nan 0.000 0.401 362 P HA 0.246 nan 4.420 nan 0.000 0.281 362 P C -0.793 176.392 177.300 -0.192 0.000 1.249 362 P CA -0.367 62.614 63.100 -0.199 0.000 0.810 362 P CB 0.858 32.081 31.700 -0.795 0.000 1.008 363 H N 1.709 120.774 119.070 -0.008 0.000 2.887 363 H HA 0.285 4.841 4.556 0.001 0.000 0.300 363 H C -0.326 175.109 175.328 0.178 0.000 1.038 363 H CA -0.345 55.790 56.048 0.145 0.000 1.352 363 H CB 0.244 30.124 29.762 0.196 0.000 1.473 363 H HN 0.303 nan 8.280 nan 0.000 0.503 364 F N 1.889 122.009 119.950 0.283 0.000 2.418 364 F HA 0.052 4.580 4.527 0.001 0.000 0.341 364 F C 1.697 177.684 175.800 0.311 0.000 1.120 364 F CA -0.333 57.850 58.000 0.306 0.000 1.232 364 F CB 0.910 40.020 39.000 0.183 0.000 1.175 364 F HN 0.365 nan 8.300 nan 0.000 0.569 365 T N 0.038 114.891 114.554 0.498 0.000 2.788 365 T HA 0.228 4.578 4.350 0.001 0.000 0.287 365 T C 1.373 176.262 174.700 0.314 0.000 1.007 365 T CA -0.721 61.607 62.100 0.379 0.000 1.005 365 T CB 0.613 69.692 68.868 0.352 0.000 1.012 365 T HN 0.571 nan 8.240 nan 0.000 0.530 366 L N 1.029 122.393 121.223 0.234 0.000 1.978 366 L HA -0.184 4.156 4.340 0.001 0.000 0.218 366 L C 2.602 179.582 176.870 0.184 0.000 1.075 366 L CA 2.338 57.291 54.840 0.188 0.000 0.767 366 L CB -0.769 41.377 42.059 0.146 0.000 0.890 366 L HN 0.916 nan 8.230 nan 0.000 0.434 367 D N -0.770 119.737 120.400 0.179 0.000 2.371 367 D HA -0.039 4.602 4.640 0.001 0.000 0.221 367 D C 1.491 177.902 176.300 0.185 0.000 0.986 367 D CA 0.833 54.930 54.000 0.162 0.000 0.899 367 D CB -0.388 40.497 40.800 0.143 0.000 0.902 367 D HN 0.388 nan 8.370 nan 0.000 0.530 368 G N 0.369 109.320 108.800 0.252 0.000 2.155 368 G HA2 -0.359 3.602 3.960 0.001 0.000 0.257 368 G HA3 -0.359 3.602 3.960 0.001 0.000 0.257 368 G C 0.900 176.009 174.900 0.347 0.000 0.983 368 G CA 0.422 45.702 45.100 0.299 0.000 0.676 368 G HN 0.389 nan 8.290 nan 0.000 0.528 369 N N 0.078 118.951 118.700 0.289 0.000 2.422 369 N HA 0.151 4.892 4.740 0.001 0.000 0.181 369 N C 1.031 176.677 175.510 0.227 0.000 1.080 369 N CA 1.167 54.358 53.050 0.235 0.000 0.893 369 N CB 0.411 38.991 38.487 0.155 0.000 0.973 369 N HN 0.903 nan 8.380 nan 0.000 0.456 370 S N -0.366 115.497 115.700 0.272 0.000 2.638 370 S HA 0.778 5.249 4.470 0.001 0.000 0.274 370 S C -0.959 173.740 174.600 0.165 0.000 1.157 370 S CA -0.973 57.266 58.200 0.063 0.000 0.826 370 S CB 1.900 65.042 63.200 -0.097 0.000 1.139 370 S HN 0.134 nan 8.310 nan 0.000 0.474 371 F N -2.074 117.743 119.950 -0.222 0.000 2.693 371 F HA 0.796 5.323 4.527 0.001 0.000 0.309 371 F C -2.282 173.360 175.800 -0.263 0.000 1.129 371 F CA -1.549 56.272 58.000 -0.299 0.000 0.948 371 F CB 0.512 38.961 39.000 -0.919 0.000 1.315 371 F HN 0.597 nan 8.300 nan 0.000 0.447 372 Y N 1.247 121.709 120.300 0.271 0.000 2.387 372 Y HA 0.712 5.263 4.550 0.001 0.000 0.336 372 Y C -0.221 175.851 175.900 0.287 0.000 1.067 372 Y CA -0.849 57.383 58.100 0.221 0.000 1.114 372 Y CB 2.103 40.628 38.460 0.107 0.000 1.208 372 Y HN 0.752 nan 8.280 nan 0.000 0.458 373 K N 2.574 123.205 120.400 0.384 0.000 2.543 373 K HA 0.543 4.864 4.320 0.001 0.000 0.255 373 K C -1.776 174.964 176.600 0.232 0.000 0.934 373 K CA -0.480 55.992 56.287 0.308 0.000 0.810 373 K CB 1.466 34.136 32.500 0.283 0.000 1.315 373 K HN 0.710 nan 8.250 nan 0.000 0.433 374 I N 6.297 126.972 120.570 0.175 0.000 2.416 374 I HA 0.301 4.471 4.170 0.001 0.000 0.288 374 I C 0.065 176.273 176.117 0.151 0.000 1.051 374 I CA -0.300 61.083 61.300 0.138 0.000 1.375 374 I CB 0.382 38.441 38.000 0.099 0.000 1.407 374 I HN 0.523 nan 8.210 nan 0.000 0.516 375 I N 2.164 122.850 120.570 0.193 0.000 2.913 375 I HA 0.486 4.657 4.170 0.001 0.000 0.302 375 I C -0.291 175.948 176.117 0.203 0.000 1.246 375 I CA -0.838 60.574 61.300 0.186 0.000 1.010 375 I CB 2.249 40.377 38.000 0.213 0.000 1.259 375 I HN 0.451 nan 8.210 nan 0.000 0.434 376 S N 2.672 118.422 115.700 0.083 0.000 2.528 376 S HA 0.298 4.769 4.470 0.001 0.000 0.277 376 S C -0.045 174.581 174.600 0.043 0.000 1.297 376 S CA -0.741 57.454 58.200 -0.009 0.000 1.052 376 S CB 0.339 63.465 63.200 -0.122 0.000 0.917 376 S HN 0.808 nan 8.310 nan 0.000 0.492 377 N N 1.699 120.311 118.700 -0.145 0.000 2.374 377 N HA 0.136 4.877 4.740 0.001 0.000 0.284 377 N C 0.630 176.047 175.510 -0.155 0.000 1.280 377 N CA -0.664 52.172 53.050 -0.357 0.000 0.963 377 N CB -0.065 37.864 38.487 -0.931 0.000 1.141 377 N HN 0.566 nan 8.380 nan 0.000 0.565 378 E N -0.745 119.364 120.200 -0.150 0.000 2.333 378 E HA -0.131 4.219 4.350 0.001 0.000 0.198 378 E C 0.403 176.956 176.600 -0.078 0.000 1.007 378 E CA 0.976 57.329 56.400 -0.079 0.000 0.845 378 E CB -0.120 29.542 29.700 -0.063 0.000 0.766 378 E HN 0.596 nan 8.360 nan 0.000 0.507 379 E N -0.746 119.402 120.200 -0.086 0.000 2.479 379 E HA 0.130 4.481 4.350 0.001 0.000 0.193 379 E C 1.057 177.664 176.600 0.012 0.000 1.049 379 E CA 0.570 56.968 56.400 -0.003 0.000 0.870 379 E CB 0.504 30.218 29.700 0.024 0.000 0.944 379 E HN 0.309 nan 8.360 nan 0.000 0.492 380 G N -0.172 108.575 108.800 -0.089 0.000 2.141 380 G HA2 -0.288 3.673 3.960 0.001 0.000 0.231 380 G HA3 -0.288 3.673 3.960 0.001 0.000 0.231 380 G C -0.410 174.247 174.900 -0.404 0.000 0.984 380 G CA -0.154 44.794 45.100 -0.254 0.000 0.660 380 G HN 0.220 nan 8.290 nan 0.000 0.525 381 Y N 0.164 120.330 120.300 -0.225 0.000 2.387 381 Y HA 0.668 5.219 4.550 0.001 0.000 0.336 381 Y C 1.108 176.814 175.900 -0.322 0.000 1.067 381 Y CA -0.967 56.973 58.100 -0.267 0.000 1.114 381 Y CB 1.069 39.392 38.460 -0.230 0.000 1.208 381 Y HN 0.071 nan 8.280 nan 0.000 0.458 382 R N 3.648 123.977 120.500 -0.284 0.000 2.248 382 R HA 0.273 4.614 4.340 0.001 0.000 0.328 382 R C -0.754 175.205 176.300 -0.567 0.000 1.067 382 R CA -0.067 55.867 56.100 -0.278 0.000 0.924 382 R CB 0.068 30.272 30.300 -0.160 0.000 1.013 382 R HN 0.662 nan 8.270 nan 0.000 0.454 383 H N 1.766 120.791 119.070 -0.076 0.000 2.908 383 H HA 0.348 4.905 4.556 0.001 0.000 0.350 383 H C -0.088 175.297 175.328 0.094 0.000 1.217 383 H CA -0.983 55.004 56.048 -0.102 0.000 1.168 383 H CB 1.616 31.209 29.762 -0.281 0.000 1.891 383 H HN 0.300 nan 8.280 nan 0.000 0.566 384 I N 1.291 121.939 120.570 0.130 0.000 2.416 384 I HA 0.058 4.229 4.170 0.001 0.000 0.288 384 I C 0.332 176.485 176.117 0.061 0.000 1.051 384 I CA 0.070 61.408 61.300 0.064 0.000 1.375 384 I CB 0.410 38.353 38.000 -0.096 0.000 1.407 384 I HN 0.154 nan 8.210 nan 0.000 0.516 385 c N 7.256 125.815 118.600 -0.068 0.000 2.411 385 c HA 0.450 5.020 4.570 0.001 0.000 0.330 385 c C -0.450 173.468 174.090 -0.287 0.000 1.224 385 c CA -0.485 55.557 56.329 -0.479 0.000 1.770 385 c CB 1.057 42.973 42.510 -0.989 0.000 2.297 385 c HN 0.638 nan 8.230 nan 0.000 0.507 386 Y N 4.374 124.314 120.300 -0.601 0.000 2.335 386 Y HA 0.651 5.202 4.550 0.001 0.000 0.339 386 Y C -1.047 174.368 175.900 -0.809 0.000 0.987 386 Y CA -1.080 56.608 58.100 -0.687 0.000 1.140 386 Y CB 0.294 38.457 38.460 -0.496 0.000 1.173 386 Y HN 0.626 nan 8.280 nan 0.000 0.486 387 F N 3.972 123.211 119.950 -1.184 0.000 2.480 387 F HA 0.427 4.955 4.527 0.001 0.000 0.329 387 F C -0.086 174.953 175.800 -1.268 0.000 1.091 387 F CA -0.940 56.264 58.000 -1.326 0.000 0.972 387 F CB 1.596 39.381 39.000 -2.025 0.000 1.150 387 F HN 0.298 nan 8.300 nan 0.000 0.467 388 Q N 2.537 121.974 119.800 -0.606 0.000 2.241 388 Q HA 0.320 4.661 4.340 0.001 0.000 0.254 388 Q C 1.035 176.986 176.000 -0.083 0.000 0.917 388 Q CA -0.215 55.374 55.803 -0.355 0.000 0.919 388 Q CB 1.436 30.025 28.738 -0.248 0.000 1.237 388 Q HN 0.730 nan 8.270 nan 0.000 0.434 389 I N -0.693 119.931 120.570 0.090 0.000 2.567 389 I HA -0.111 4.060 4.170 0.001 0.000 0.257 389 I C 0.460 176.796 176.117 0.365 0.000 1.184 389 I CA 1.420 62.924 61.300 0.339 0.000 1.451 389 I CB 0.039 38.257 38.000 0.362 0.000 1.089 389 I HN 0.428 nan 8.210 nan 0.000 0.441 390 D N 0.503 121.011 120.400 0.180 0.000 2.593 390 D HA 0.241 4.882 4.640 0.001 0.000 0.241 390 D C -0.193 176.141 176.300 0.057 0.000 1.257 390 D CA -0.319 53.740 54.000 0.099 0.000 0.828 390 D CB 0.279 41.113 40.800 0.057 0.000 1.049 390 D HN 0.169 nan 8.370 nan 0.000 0.490 391 K N 0.459 120.925 120.400 0.111 0.000 2.397 391 K HA 0.275 4.596 4.320 0.001 0.000 0.253 391 K C 0.746 177.422 176.600 0.128 0.000 0.932 391 K CA -0.690 55.626 56.287 0.048 0.000 0.795 391 K CB 2.688 35.167 32.500 -0.034 0.000 1.159 391 K HN -0.163 nan 8.250 nan 0.000 0.424 392 K N 1.172 121.592 120.400 0.033 0.000 2.103 392 K HA -0.008 4.313 4.320 0.001 0.000 0.204 392 K C -0.477 176.152 176.600 0.050 0.000 1.052 392 K CA 1.209 57.525 56.287 0.048 0.000 0.945 392 K CB 0.308 32.801 32.500 -0.013 0.000 0.722 392 K HN 0.553 nan 8.250 nan 0.000 0.443 393 D N 1.142 121.510 120.400 -0.053 0.000 2.225 393 D HA 0.092 4.732 4.640 0.001 0.000 0.248 393 D C -0.253 175.843 176.300 -0.341 0.000 1.096 393 D CA -0.306 53.598 54.000 -0.159 0.000 0.863 393 D CB 1.320 42.038 40.800 -0.136 0.000 1.156 393 D HN 0.313 nan 8.370 nan 0.000 0.450 394 c N 0.520 118.762 118.600 -0.596 0.000 2.399 394 c HA 0.823 5.393 4.570 0.001 0.000 0.348 394 c C 0.174 173.844 174.090 -0.699 0.000 1.183 394 c CA -0.580 55.157 56.329 -0.988 0.000 2.023 394 c CB 1.140 42.370 42.510 -2.133 0.000 2.361 394 c HN 0.472 nan 8.230 nan 0.000 0.521 395 T N 2.331 116.526 114.554 -0.598 0.000 2.792 395 T HA 0.485 4.836 4.350 0.001 0.000 0.280 395 T C -0.665 173.804 174.700 -0.385 0.000 0.990 395 T CA 0.123 62.017 62.100 -0.342 0.000 0.960 395 T CB 0.427 69.236 68.868 -0.098 0.000 0.939 395 T HN 0.503 nan 8.240 nan 0.000 0.439 396 F N 3.177 123.002 119.950 -0.209 0.000 2.495 396 F HA 0.266 4.794 4.527 0.001 0.000 0.365 396 F C 1.614 177.228 175.800 -0.310 0.000 1.090 396 F CA -0.849 57.010 58.000 -0.235 0.000 1.235 396 F CB 0.461 39.325 39.000 -0.226 0.000 1.119 396 F HN 0.574 nan 8.300 nan 0.000 0.562 397 I N -0.748 119.683 120.570 -0.233 0.000 4.057 397 I HA 0.251 4.421 4.170 0.001 0.000 0.334 397 I C 0.094 176.010 176.117 -0.335 0.000 1.308 397 I CA 0.087 61.014 61.300 -0.621 0.000 1.125 397 I CB 0.046 37.419 38.000 -1.045 0.000 1.034 397 I HN 0.488 nan 8.210 nan 0.000 0.401 398 T N -0.019 114.411 114.554 -0.208 0.000 2.896 398 T HA 0.724 5.075 4.350 0.001 0.000 0.297 398 T C -0.735 173.618 174.700 -0.579 0.000 1.108 398 T CA -0.670 61.304 62.100 -0.210 0.000 1.004 398 T CB 2.781 71.595 68.868 -0.091 0.000 1.159 398 T HN 0.345 nan 8.240 nan 0.000 0.499 399 K N -0.144 119.750 120.400 -0.842 0.000 2.642 399 K HA 0.750 5.071 4.320 0.001 0.000 0.290 399 K C -0.476 175.486 176.600 -1.062 0.000 1.006 399 K CA -0.200 55.245 56.287 -1.402 0.000 0.869 399 K CB 1.251 33.303 32.500 -0.747 0.000 1.499 399 K HN 1.951 nan 8.250 nan 0.000 0.403 400 G N -0.142 108.042 108.800 -1.028 0.000 2.340 400 G HA2 0.105 4.065 3.960 0.001 0.000 0.527 400 G HA3 0.105 4.065 3.960 0.001 0.000 0.527 400 G C -0.820 173.524 174.900 -0.927 0.000 1.381 400 G CA -0.163 44.507 45.100 -0.717 0.000 1.001 400 G HN 1.212 nan 8.290 nan 0.000 0.626 401 T N -0.270 113.907 114.554 -0.628 0.000 4.313 401 T HA 0.551 4.902 4.350 0.001 0.000 0.272 401 T C 0.258 174.816 174.700 -0.237 0.000 1.298 401 T CA 0.592 62.188 62.100 -0.840 0.000 1.124 401 T CB -0.974 67.621 68.868 -0.455 0.000 1.352 401 T HN 1.519 nan 8.240 nan 0.000 1.013 402 W N -0.294 120.881 121.300 -0.208 0.000 2.881 402 W HA 0.616 5.277 4.660 0.001 0.000 0.380 402 W C -1.535 174.987 176.519 0.004 0.000 1.170 402 W CA -0.977 56.367 57.345 -0.000 0.000 1.171 402 W CB 0.654 30.096 29.460 -0.029 0.000 1.464 402 W HN 0.196 nan 8.180 nan 0.000 0.574 403 E N 0.788 121.206 120.200 0.364 0.000 2.343 403 E HA 0.454 4.805 4.350 0.001 0.000 0.270 403 E C -1.159 175.596 176.600 0.258 0.000 0.895 403 E CA -1.168 55.253 56.400 0.034 0.000 0.767 403 E CB 3.394 33.111 29.700 0.030 0.000 1.248 403 E HN 0.160 nan 8.360 nan 0.000 0.440 404 V N 3.679 123.615 119.914 0.036 0.000 2.530 404 V HA 0.015 4.136 4.120 0.001 0.000 0.282 404 V C 1.213 177.402 176.094 0.160 0.000 1.048 404 V CA 0.013 62.415 62.300 0.169 0.000 0.997 404 V CB 0.639 32.443 31.823 -0.032 0.000 0.987 404 V HN 0.693 nan 8.190 nan 0.000 0.477 405 I N 3.043 123.735 120.570 0.203 0.000 2.400 405 I HA 0.253 4.424 4.170 0.001 0.000 0.248 405 I C 1.094 177.320 176.117 0.181 0.000 1.109 405 I CA 1.193 62.604 61.300 0.184 0.000 1.425 405 I CB -0.668 37.384 38.000 0.087 0.000 1.094 405 I HN 0.748 nan 8.210 nan 0.000 0.425 406 G N 0.678 109.584 108.800 0.176 0.000 2.632 406 G HA2 0.538 4.498 3.960 0.001 0.000 0.292 406 G HA3 0.538 4.498 3.960 0.001 0.000 0.292 406 G C -1.321 173.656 174.900 0.128 0.000 1.465 406 G CA -0.551 44.642 45.100 0.154 0.000 0.824 406 G HN -0.047 nan 8.290 nan 0.000 0.509 407 I N 1.432 122.003 120.570 0.001 0.000 2.371 407 I HA 0.258 4.429 4.170 0.001 0.000 0.290 407 I C 0.779 176.846 176.117 -0.083 0.000 1.028 407 I CA -0.487 60.723 61.300 -0.151 0.000 1.345 407 I CB 1.721 39.350 38.000 -0.619 0.000 1.407 407 I HN 0.496 nan 8.210 nan 0.000 0.501 408 E N 4.879 125.088 120.200 0.015 0.000 2.290 408 E HA 0.345 4.695 4.350 0.001 0.000 0.197 408 E C 0.055 176.602 176.600 -0.088 0.000 0.948 408 E CA 0.208 56.651 56.400 0.070 0.000 0.895 408 E CB 0.817 30.639 29.700 0.202 0.000 0.865 408 E HN 0.656 nan 8.360 nan 0.000 0.486 409 A N 0.643 123.307 122.820 -0.260 0.000 2.594 409 A HA 0.601 4.921 4.320 0.001 0.000 0.296 409 A C -1.963 175.537 177.584 -0.140 0.000 1.061 409 A CA -0.629 51.168 52.037 -0.400 0.000 0.689 409 A CB 1.280 19.462 19.000 -1.362 0.000 1.280 409 A HN 0.040 nan 8.150 nan 0.000 0.406 410 L N 1.434 122.626 121.223 -0.052 0.000 2.436 410 L HA 0.865 5.206 4.340 0.001 0.000 0.268 410 L C 0.125 177.025 176.870 0.050 0.000 0.974 410 L CA 0.510 55.356 54.840 0.009 0.000 0.826 410 L CB 2.219 44.303 42.059 0.041 0.000 1.291 410 L HN 1.241 nan 8.230 nan 0.000 0.406 411 T N -0.498 114.101 114.554 0.075 0.000 2.858 411 T HA 0.418 4.769 4.350 0.001 0.000 0.285 411 T C 0.939 175.674 174.700 0.060 0.000 1.052 411 T CA 0.078 62.232 62.100 0.090 0.000 1.009 411 T CB 1.179 70.135 68.868 0.147 0.000 1.241 411 T HN 0.664 nan 8.240 nan 0.000 0.542 412 S N -0.530 115.205 115.700 0.058 0.000 2.447 412 S HA -0.065 4.406 4.470 0.001 0.000 0.233 412 S C 0.931 175.508 174.600 -0.037 0.000 1.006 412 S CA 0.957 59.177 58.200 0.033 0.000 0.957 412 S CB -0.513 62.712 63.200 0.042 0.000 0.773 412 S HN 0.697 nan 8.310 nan 0.000 0.507 413 D N -0.594 119.771 120.400 -0.058 0.000 2.324 413 D HA 0.245 4.886 4.640 0.001 0.000 0.212 413 D C -0.463 175.515 176.300 -0.537 0.000 0.984 413 D CA 0.650 54.493 54.000 -0.262 0.000 0.885 413 D CB 0.309 40.984 40.800 -0.208 0.000 0.996 413 D HN 0.435 nan 8.370 nan 0.000 0.505 414 Y N -0.310 119.917 120.300 -0.122 0.000 2.581 414 Y HA 0.475 5.026 4.550 0.001 0.000 0.345 414 Y C -0.628 175.082 175.900 -0.318 0.000 1.036 414 Y CA -1.015 56.919 58.100 -0.277 0.000 1.042 414 Y CB 2.422 40.577 38.460 -0.509 0.000 1.289 414 Y HN -0.295 nan 8.280 nan 0.000 0.471 415 L N 2.558 123.652 121.223 -0.214 0.000 2.349 415 L HA 0.597 4.938 4.340 0.001 0.000 0.278 415 L C -1.885 174.859 176.870 -0.211 0.000 0.996 415 L CA -0.587 54.114 54.840 -0.231 0.000 0.825 415 L CB 0.812 42.639 42.059 -0.387 0.000 1.243 415 L HN 0.600 nan 8.230 nan 0.000 0.412 416 Y N 5.074 125.289 120.300 -0.142 0.000 2.330 416 Y HA 0.527 5.078 4.550 0.001 0.000 0.336 416 Y C -0.344 175.541 175.900 -0.025 0.000 1.036 416 Y CA -0.252 57.754 58.100 -0.158 0.000 1.125 416 Y CB 1.148 39.382 38.460 -0.377 0.000 1.194 416 Y HN 0.548 nan 8.280 nan 0.000 0.469 417 Y N 0.117 120.463 120.300 0.078 0.000 2.655 417 Y HA 0.816 5.367 4.550 0.001 0.000 0.336 417 Y C -1.744 174.230 175.900 0.123 0.000 1.154 417 Y CA -2.019 56.122 58.100 0.068 0.000 1.055 417 Y CB 1.177 39.652 38.460 0.025 0.000 1.295 417 Y HN 0.404 nan 8.280 nan 0.000 0.465 418 I N 2.733 123.454 120.570 0.251 0.000 2.441 418 I HA 0.640 4.811 4.170 0.001 0.000 0.295 418 I C -0.499 175.792 176.117 0.291 0.000 0.994 418 I CA -0.491 60.904 61.300 0.158 0.000 1.144 418 I CB 2.034 40.083 38.000 0.081 0.000 1.314 418 I HN 0.881 nan 8.210 nan 0.000 0.445 419 S N 3.108 118.945 115.700 0.228 0.000 2.638 419 S HA 0.410 4.880 4.470 0.001 0.000 0.274 419 S C -0.570 174.075 174.600 0.074 0.000 1.157 419 S CA -0.882 57.438 58.200 0.199 0.000 0.826 419 S CB 1.710 65.010 63.200 0.167 0.000 1.139 419 S HN 0.643 nan 8.310 nan 0.000 0.474 420 N N -0.315 118.422 118.700 0.063 0.000 2.321 420 N HA 0.129 4.870 4.740 0.001 0.000 0.242 420 N C 0.596 176.074 175.510 -0.053 0.000 1.141 420 N CA -0.189 52.860 53.050 -0.002 0.000 0.864 420 N CB 0.230 38.710 38.487 -0.011 0.000 1.100 420 N HN 0.838 nan 8.380 nan 0.000 0.510 421 E N -0.081 119.940 120.200 -0.298 0.000 2.072 421 E HA -0.212 4.139 4.350 0.001 0.000 0.191 421 E C -0.292 176.163 176.600 -0.242 0.000 0.985 421 E CA 0.249 56.245 56.400 -0.672 0.000 0.801 421 E CB -0.121 28.497 29.700 -1.804 0.000 0.750 421 E HN 0.375 nan 8.360 nan 0.000 0.452 422 Y N 2.119 122.325 120.300 -0.157 0.000 2.895 422 Y HA -0.159 4.392 4.550 0.001 0.000 0.334 422 Y C 0.485 176.345 175.900 -0.067 0.000 1.261 422 Y CA 0.930 58.989 58.100 -0.069 0.000 1.560 422 Y CB 0.138 38.583 38.460 -0.026 0.000 1.253 422 Y HN 0.108 nan 8.280 nan 0.000 0.582 423 K N 3.360 123.443 120.400 -0.528 0.000 3.013 423 K HA -0.275 4.046 4.320 0.001 0.000 0.275 423 K C 0.929 177.436 176.600 -0.155 0.000 1.086 423 K CA 0.854 56.895 56.287 -0.411 0.000 0.814 423 K CB -1.742 30.447 32.500 -0.520 0.000 1.212 423 K HN 1.265 nan 8.250 nan 0.000 0.468 424 G N 0.510 109.244 108.800 -0.110 0.000 2.203 424 G HA2 -0.340 3.621 3.960 0.001 0.000 0.263 424 G HA3 -0.340 3.621 3.960 0.001 0.000 0.263 424 G C 0.069 174.920 174.900 -0.081 0.000 1.012 424 G CA 0.850 45.928 45.100 -0.036 0.000 0.749 424 G HN 0.357 nan 8.290 nan 0.000 0.512 425 M N 1.103 120.594 119.600 -0.182 0.000 2.094 425 M HA 0.211 4.692 4.480 0.001 0.000 0.348 425 M C -0.751 175.296 176.300 -0.422 0.000 1.267 425 M CA -1.840 53.194 55.300 -0.443 0.000 1.125 425 M CB 1.290 33.703 32.600 -0.312 0.000 1.527 425 M HN -0.052 nan 8.290 nan 0.000 0.447 426 P HA -0.101 nan 4.420 nan 0.000 0.225 426 P C 0.987 178.142 177.300 -0.241 0.000 1.148 426 P CA 1.237 64.152 63.100 -0.308 0.000 0.779 426 P CB 0.124 31.644 31.700 -0.300 0.000 0.780 427 G N -0.670 107.927 108.800 -0.340 0.000 3.189 427 G HA2 0.308 4.269 3.960 0.001 0.000 0.225 427 G HA3 0.308 4.269 3.960 0.001 0.000 0.225 427 G C 0.658 175.566 174.900 0.013 0.000 1.159 427 G CA 0.085 45.117 45.100 -0.114 0.000 0.763 427 G HN 0.433 nan 8.290 nan 0.000 0.549 428 G N -0.165 108.587 108.800 -0.080 0.000 2.441 428 G HA2 0.656 4.616 3.960 0.001 0.000 0.334 428 G HA3 0.656 4.616 3.960 0.001 0.000 0.334 428 G C -0.840 173.954 174.900 -0.177 0.000 1.161 428 G CA -0.765 44.319 45.100 -0.027 0.000 0.935 428 G HN 0.086 nan 8.290 nan 0.000 0.488 429 R N 1.026 121.381 120.500 -0.242 0.000 2.564 429 R HA 0.425 4.766 4.340 0.001 0.000 0.284 429 R C -1.280 174.976 176.300 -0.072 0.000 1.031 429 R CA -0.799 55.126 56.100 -0.292 0.000 0.904 429 R CB 2.184 32.062 30.300 -0.705 0.000 1.199 429 R HN 0.608 nan 8.270 nan 0.000 0.443 430 N N 1.514 120.185 118.700 -0.048 0.000 2.357 430 N HA 0.341 5.082 4.740 0.001 0.000 0.284 430 N C -1.297 174.051 175.510 -0.270 0.000 1.236 430 N CA -0.831 52.102 53.050 -0.194 0.000 0.774 430 N CB 2.717 40.979 38.487 -0.375 0.000 1.534 430 N HN 0.256 nan 8.380 nan 0.000 0.478 431 L N 1.993 122.917 121.223 -0.499 0.000 2.276 431 L HA 0.477 4.818 4.340 0.001 0.000 0.286 431 L C -1.425 175.047 176.870 -0.663 0.000 1.061 431 L CA 0.063 54.643 54.840 -0.434 0.000 0.807 431 L CB -0.092 41.714 42.059 -0.423 0.000 1.177 431 L HN 0.414 nan 8.230 nan 0.000 0.429 432 Y N 3.387 123.326 120.300 -0.602 0.000 2.602 432 Y HA 0.652 5.202 4.550 0.001 0.000 0.342 432 Y C -0.491 175.037 175.900 -0.621 0.000 1.029 432 Y CA -0.909 56.788 58.100 -0.673 0.000 1.080 432 Y CB 1.712 39.595 38.460 -0.961 0.000 1.284 432 Y HN 0.563 nan 8.280 nan 0.000 0.485 433 K N 1.664 121.891 120.400 -0.289 0.000 2.422 433 K HA 0.787 5.108 4.320 0.001 0.000 0.251 433 K C -1.939 174.620 176.600 -0.069 0.000 0.933 433 K CA -0.759 55.293 56.287 -0.391 0.000 0.798 433 K CB 2.945 34.954 32.500 -0.818 0.000 1.238 433 K HN 0.756 nan 8.250 nan 0.000 0.428 434 I N 1.734 122.338 120.570 0.057 0.000 2.498 434 I HA 0.179 4.350 4.170 0.001 0.000 0.290 434 I C -0.862 175.326 176.117 0.120 0.000 1.032 434 I CA -0.821 60.573 61.300 0.158 0.000 1.073 434 I CB 2.201 40.317 38.000 0.193 0.000 1.251 434 I HN 0.848 nan 8.210 nan 0.000 0.426 435 Q N 5.883 125.727 119.800 0.072 0.000 2.271 435 Q HA 0.171 4.512 4.340 0.001 0.000 0.273 435 Q C 0.451 176.371 176.000 -0.134 0.000 1.051 435 Q CA -0.050 55.614 55.803 -0.232 0.000 0.901 435 Q CB 1.057 29.697 28.738 -0.163 0.000 1.174 435 Q HN 0.790 nan 8.270 nan 0.000 0.385 436 L N 2.337 123.419 121.223 -0.234 0.000 2.275 436 L HA -0.149 4.192 4.340 0.001 0.000 0.215 436 L C 2.050 178.816 176.870 -0.172 0.000 1.119 436 L CA 1.110 55.901 54.840 -0.083 0.000 0.790 436 L CB -0.285 41.696 42.059 -0.131 0.000 0.919 436 L HN 0.652 nan 8.230 nan 0.000 0.443 437 S N -2.720 112.839 115.700 -0.235 0.000 2.548 437 S HA -0.000 4.471 4.470 0.001 0.000 0.215 437 S C 0.454 174.876 174.600 -0.298 0.000 0.976 437 S CA -0.144 57.906 58.200 -0.250 0.000 0.908 437 S CB 0.145 63.235 63.200 -0.183 0.000 0.781 437 S HN 0.340 nan 8.310 nan 0.000 0.519 438 D N -0.068 120.164 120.400 -0.279 0.000 2.318 438 D HA 0.197 4.837 4.640 0.001 0.000 0.233 438 D C -0.552 175.701 176.300 -0.078 0.000 1.348 438 D CA -0.530 53.337 54.000 -0.222 0.000 0.983 438 D CB 0.145 40.875 40.800 -0.117 0.000 1.416 438 D HN -0.017 nan 8.370 nan 0.000 0.558 439 Y N 0.963 121.241 120.300 -0.037 0.000 2.651 439 Y HA -0.093 4.458 4.550 0.001 0.000 0.296 439 Y C 2.570 178.471 175.900 0.003 0.000 1.150 439 Y CA 1.381 59.470 58.100 -0.018 0.000 1.348 439 Y CB -0.914 37.536 38.460 -0.016 0.000 0.983 439 Y HN 0.431 nan 8.280 nan 0.000 0.555 440 T N -2.582 112.043 114.554 0.118 0.000 3.055 440 T HA -0.037 4.314 4.350 0.001 0.000 0.265 440 T C 0.776 175.523 174.700 0.078 0.000 1.111 440 T CA 0.248 62.398 62.100 0.083 0.000 1.118 440 T CB -0.196 68.696 68.868 0.040 0.000 0.909 440 T HN 0.126 nan 8.240 nan 0.000 0.501 441 K N 1.977 122.424 120.400 0.078 0.000 2.184 441 K HA 0.484 4.805 4.320 0.001 0.000 0.259 441 K C -1.282 175.384 176.600 0.111 0.000 1.119 441 K CA -0.361 55.974 56.287 0.079 0.000 0.991 441 K CB 1.093 33.628 32.500 0.059 0.000 1.522 441 K HN 0.132 nan 8.250 nan 0.000 0.405 442 V N 2.468 122.448 119.914 0.111 0.000 2.398 442 V HA 0.258 4.379 4.120 0.001 0.000 0.286 442 V C -0.044 176.110 176.094 0.100 0.000 1.026 442 V CA -0.578 61.801 62.300 0.131 0.000 0.868 442 V CB 1.802 33.715 31.823 0.150 0.000 0.982 442 V HN 0.577 nan 8.190 nan 0.000 0.443 443 T N 3.627 118.218 114.554 0.061 0.000 2.812 443 T HA 0.249 4.600 4.350 0.001 0.000 0.282 443 T C -0.402 174.230 174.700 -0.114 0.000 0.990 443 T CA -0.288 61.799 62.100 -0.022 0.000 0.960 443 T CB 1.226 70.047 68.868 -0.079 0.000 0.948 443 T HN 0.762 nan 8.240 nan 0.000 0.438 444 C N 4.880 124.049 119.300 -0.218 0.000 2.499 444 C HA 0.449 4.910 4.460 0.001 0.000 0.386 444 C C 1.511 176.187 174.990 -0.523 0.000 1.293 444 C CA -0.484 58.143 59.018 -0.652 0.000 1.884 444 C CB -1.601 25.673 27.740 -0.776 0.000 2.509 444 C HN 0.988 nan 8.230 nan 0.000 0.566 445 L N 4.640 125.510 121.223 -0.589 0.000 2.590 445 L HA 0.137 4.477 4.340 0.001 0.000 0.227 445 L C 2.055 178.617 176.870 -0.513 0.000 1.099 445 L CA 0.584 55.166 54.840 -0.431 0.000 0.872 445 L CB -0.163 41.688 42.059 -0.346 0.000 1.088 445 L HN 0.855 nan 8.230 nan 0.000 0.479 446 S N -2.815 112.461 115.700 -0.706 0.000 2.554 446 S HA -0.016 4.454 4.470 0.001 0.000 0.227 446 S C 1.858 176.087 174.600 -0.619 0.000 1.050 446 S CA -0.000 57.685 58.200 -0.857 0.000 0.927 446 S CB -0.322 61.949 63.200 -1.548 0.000 0.859 446 S HN 0.295 nan 8.310 nan 0.000 0.494 447 C N 2.225 121.121 119.300 -0.673 0.000 2.363 447 C HA -0.067 4.394 4.460 0.001 0.000 0.274 447 C C 2.583 177.306 174.990 -0.445 0.000 1.183 447 C CA 1.641 60.200 59.018 -0.765 0.000 1.771 447 C CB -1.137 25.866 27.740 -1.228 0.000 2.059 447 C HN 0.600 nan 8.230 nan 0.000 0.455 448 E N 0.007 120.013 120.200 -0.323 0.000 2.479 448 E HA 0.156 4.507 4.350 0.001 0.000 0.193 448 E C 1.941 178.495 176.600 -0.078 0.000 1.049 448 E CA -0.023 56.288 56.400 -0.148 0.000 0.870 448 E CB -0.280 29.348 29.700 -0.121 0.000 0.944 448 E HN 0.566 nan 8.360 nan 0.000 0.492 449 L N 0.298 121.471 121.223 -0.084 0.000 2.043 449 L HA -0.148 4.193 4.340 0.001 0.000 0.212 449 L C 0.920 177.803 176.870 0.023 0.000 1.075 449 L CA 1.065 55.896 54.840 -0.015 0.000 0.752 449 L CB -0.118 41.953 42.059 0.019 0.000 0.891 449 L HN 0.141 nan 8.230 nan 0.000 0.432 450 N N -1.681 117.046 118.700 0.045 0.000 3.304 450 N HA 0.053 4.794 4.740 0.001 0.000 0.187 450 N C -2.141 173.397 175.510 0.046 0.000 1.482 450 N CA -0.701 52.370 53.050 0.036 0.000 0.785 450 N CB 0.721 39.224 38.487 0.027 0.000 1.619 450 N HN -0.190 nan 8.380 nan 0.000 0.624 451 P HA -0.134 nan 4.420 nan 0.000 0.219 451 P C 0.711 178.052 177.300 0.069 0.000 1.146 451 P CA 1.251 64.405 63.100 0.091 0.000 0.808 451 P CB 0.715 32.487 31.700 0.119 0.000 0.779 452 E N -0.319 119.904 120.200 0.038 0.000 2.076 452 E HA -0.100 4.251 4.350 0.001 0.000 0.190 452 E C 2.427 179.027 176.600 -0.000 0.000 0.979 452 E CA 0.612 57.024 56.400 0.020 0.000 0.807 452 E CB -0.188 29.517 29.700 0.009 0.000 0.761 452 E HN 0.173 nan 8.360 nan 0.000 0.454 453 R N -0.144 120.346 120.500 -0.018 0.000 2.173 453 R HA 0.078 4.419 4.340 0.001 0.000 0.208 453 R C -0.180 176.071 176.300 -0.082 0.000 1.035 453 R CA 0.486 56.554 56.100 -0.054 0.000 1.004 453 R CB 0.427 30.687 30.300 -0.068 0.000 0.917 453 R HN 0.087 nan 8.270 nan 0.000 0.462 454 c N 0.901 119.460 118.600 -0.068 0.000 2.344 454 c HA 0.414 4.984 4.570 0.001 0.000 0.326 454 c C -0.004 174.051 174.090 -0.059 0.000 1.201 454 c CA -0.689 55.537 56.329 -0.170 0.000 1.410 454 c CB 1.349 43.697 42.510 -0.271 0.000 2.070 454 c HN 0.513 nan 8.230 nan 0.000 0.445 455 Q N 0.426 120.189 119.800 -0.062 0.000 2.103 455 Q HA 0.203 4.544 4.340 0.001 0.000 0.219 455 Q C -0.977 175.079 176.000 0.094 0.000 0.784 455 Q CA 0.083 55.932 55.803 0.077 0.000 1.014 455 Q CB 1.334 30.133 28.738 0.102 0.000 1.183 455 Q HN 0.797 nan 8.270 nan 0.000 0.469 456 Y N 0.374 120.556 120.300 -0.197 0.000 2.317 456 Y HA 0.385 4.936 4.550 0.001 0.000 0.325 456 Y C -1.685 174.068 175.900 -0.245 0.000 1.066 456 Y CA -1.022 56.996 58.100 -0.136 0.000 1.203 456 Y CB 0.835 39.227 38.460 -0.113 0.000 1.127 456 Y HN -0.081 nan 8.280 nan 0.000 0.451 457 Y N 2.326 122.566 120.300 -0.101 0.000 2.524 457 Y HA 0.692 5.242 4.550 0.001 0.000 0.344 457 Y C 0.131 175.977 175.900 -0.089 0.000 1.012 457 Y CA -0.682 57.369 58.100 -0.081 0.000 1.068 457 Y CB 2.373 40.751 38.460 -0.136 0.000 1.249 457 Y HN 0.514 nan 8.280 nan 0.000 0.468 458 S N 0.671 116.465 115.700 0.157 0.000 2.632 458 S HA 0.885 5.356 4.470 0.001 0.000 0.289 458 S C -1.637 173.030 174.600 0.112 0.000 1.115 458 S CA -0.735 57.534 58.200 0.115 0.000 0.889 458 S CB 1.879 65.158 63.200 0.132 0.000 1.116 458 S HN 0.661 nan 8.310 nan 0.000 0.486 459 V N 0.120 120.101 119.914 0.111 0.000 3.114 459 V HA 0.875 4.996 4.120 0.001 0.000 0.308 459 V C -1.304 174.876 176.094 0.144 0.000 1.168 459 V CA -0.298 62.047 62.300 0.074 0.000 1.015 459 V CB 2.315 34.115 31.823 -0.038 0.000 1.050 459 V HN 1.193 nan 8.190 nan 0.000 0.433 460 S N 3.729 119.505 115.700 0.127 0.000 2.779 460 S HA 0.679 5.150 4.470 0.001 0.000 0.293 460 S C -1.291 173.468 174.600 0.264 0.000 1.150 460 S CA -0.366 58.011 58.200 0.295 0.000 1.057 460 S CB 0.435 63.863 63.200 0.379 0.000 1.021 460 S HN 0.494 nan 8.310 nan 0.000 0.485 461 F N 3.088 123.101 119.950 0.106 0.000 2.379 461 F HA 0.461 4.989 4.527 0.001 0.000 0.332 461 F C 1.402 176.790 175.800 -0.686 0.000 1.096 461 F CA -0.261 57.629 58.000 -0.184 0.000 1.105 461 F CB 1.476 40.346 39.000 -0.217 0.000 1.189 461 F HN 0.628 nan 8.300 nan 0.000 0.515 462 S N 2.170 117.222 115.700 -1.080 0.000 2.626 462 S HA 0.177 4.648 4.470 0.001 0.000 0.257 462 S C 1.307 175.661 174.600 -0.410 0.000 1.288 462 S CA -0.797 56.550 58.200 -1.420 0.000 0.980 462 S CB 0.705 63.066 63.200 -1.398 0.000 0.975 462 S HN 0.535 nan 8.310 nan 0.000 0.577 463 K N 0.961 121.251 120.400 -0.183 0.000 2.049 463 K HA -0.143 4.178 4.320 0.001 0.000 0.219 463 K C 1.047 177.624 176.600 -0.038 0.000 1.056 463 K CA 1.792 58.060 56.287 -0.031 0.000 0.946 463 K CB -0.619 31.902 32.500 0.035 0.000 0.723 463 K HN 0.691 nan 8.250 nan 0.000 0.453 464 E N -0.772 119.384 120.200 -0.074 0.000 2.496 464 E HA 0.267 4.618 4.350 0.001 0.000 0.202 464 E C 0.095 176.648 176.600 -0.079 0.000 1.021 464 E CA 0.161 56.532 56.400 -0.048 0.000 1.015 464 E CB 0.392 30.075 29.700 -0.028 0.000 1.102 464 E HN 0.277 nan 8.360 nan 0.000 0.452 465 A N 1.036 123.792 122.820 -0.106 0.000 2.847 465 A HA -0.338 3.983 4.320 0.001 0.000 0.263 465 A C 1.566 179.104 177.584 -0.078 0.000 1.391 465 A CA 1.674 53.667 52.037 -0.072 0.000 0.866 465 A CB -2.066 16.788 19.000 -0.243 0.000 1.057 465 A HN 0.299 nan 8.150 nan 0.000 0.673 466 K N -1.857 118.428 120.400 -0.192 0.000 2.148 466 K HA 0.049 4.369 4.320 0.001 0.000 0.204 466 K C 0.069 176.288 176.600 -0.635 0.000 1.050 466 K CA 1.518 57.576 56.287 -0.382 0.000 0.942 466 K CB -0.031 32.209 32.500 -0.434 0.000 0.724 466 K HN 0.681 nan 8.250 nan 0.000 0.446 467 Y N -0.987 119.199 120.300 -0.191 0.000 2.576 467 Y HA 0.312 4.863 4.550 0.001 0.000 0.346 467 Y C -0.979 174.790 175.900 -0.218 0.000 1.018 467 Y CA -1.362 56.624 58.100 -0.189 0.000 1.050 467 Y CB 1.710 40.065 38.460 -0.174 0.000 1.280 467 Y HN -0.045 nan 8.280 nan 0.000 0.474 468 Y N -0.890 119.332 120.300 -0.130 0.000 2.504 468 Y HA 0.553 5.103 4.550 0.001 0.000 0.344 468 Y C -1.151 174.730 175.900 -0.031 0.000 1.023 468 Y CA -1.511 56.343 58.100 -0.411 0.000 1.020 468 Y CB 1.500 39.134 38.460 -1.376 0.000 1.282 468 Y HN 0.593 nan 8.280 nan 0.000 0.454 469 Q N 3.905 123.818 119.800 0.187 0.000 2.290 469 Q HA 0.544 4.885 4.340 0.001 0.000 0.259 469 Q C -1.776 174.302 176.000 0.131 0.000 0.941 469 Q CA -0.674 55.224 55.803 0.158 0.000 0.912 469 Q CB 1.281 30.099 28.738 0.133 0.000 1.244 469 Q HN 0.973 nan 8.270 nan 0.000 0.441 470 L N 4.387 125.701 121.223 0.152 0.000 2.295 470 L HA 0.520 4.861 4.340 0.001 0.000 0.285 470 L C -0.058 176.867 176.870 0.091 0.000 1.035 470 L CA -0.497 54.419 54.840 0.126 0.000 0.806 470 L CB 1.423 43.538 42.059 0.092 0.000 1.214 470 L HN 0.598 nan 8.230 nan 0.000 0.426 471 R N 3.672 124.201 120.500 0.048 0.000 2.320 471 R HA 0.334 4.675 4.340 0.001 0.000 0.319 471 R C -0.929 175.236 176.300 -0.224 0.000 0.969 471 R CA -0.479 55.465 56.100 -0.259 0.000 0.857 471 R CB 1.254 31.442 30.300 -0.187 0.000 1.160 471 R HN 0.742 nan 8.270 nan 0.000 0.491 472 c N 3.812 122.167 118.600 -0.408 0.000 2.388 472 c HA 0.518 5.088 4.570 0.001 0.000 0.362 472 c C 1.090 174.948 174.090 -0.387 0.000 1.266 472 c CA -0.173 55.794 56.329 -0.603 0.000 2.028 472 c CB 0.716 42.827 42.510 -0.666 0.000 2.440 472 c HN 0.936 nan 8.230 nan 0.000 0.547 473 S N 3.297 118.850 115.700 -0.245 0.000 2.952 473 S HA 0.617 5.088 4.470 0.001 0.000 0.251 473 S C 0.138 174.691 174.600 -0.078 0.000 1.021 473 S CA 0.192 58.316 58.200 -0.127 0.000 1.067 473 S CB -0.016 63.145 63.200 -0.066 0.000 1.002 473 S HN 1.962 nan 8.310 nan 0.000 0.574 474 G N 1.889 110.626 108.800 -0.104 0.000 2.340 474 G HA2 0.448 4.409 3.960 0.001 0.000 0.298 474 G HA3 0.448 4.409 3.960 0.001 0.000 0.298 474 G C -3.081 171.788 174.900 -0.051 0.000 1.498 474 G CA -0.692 44.385 45.100 -0.038 0.000 0.847 474 G HN -0.128 nan 8.290 nan 0.000 0.594 475 P HA 0.133 nan 4.420 nan 0.000 0.236 475 P C 1.206 178.525 177.300 0.033 0.000 1.177 475 P CA 1.159 64.277 63.100 0.030 0.000 0.773 475 P CB 0.546 32.263 31.700 0.027 0.000 0.878 476 G N 0.330 109.088 108.800 -0.071 0.000 2.532 476 G HA2 0.446 4.407 3.960 0.001 0.000 0.291 476 G HA3 0.446 4.407 3.960 0.001 0.000 0.291 476 G C -0.343 174.342 174.900 -0.358 0.000 1.349 476 G CA -0.803 44.183 45.100 -0.191 0.000 1.038 476 G HN 0.030 nan 8.290 nan 0.000 0.518 477 L N 1.107 122.026 121.223 -0.506 0.000 2.485 477 L HA 0.132 4.472 4.340 0.001 0.000 0.275 477 L C -1.859 174.866 176.870 -0.242 0.000 1.207 477 L CA -1.162 53.362 54.840 -0.526 0.000 0.855 477 L CB 0.436 42.247 42.059 -0.414 0.000 1.114 477 L HN 0.236 nan 8.230 nan 0.000 0.485 478 P HA -0.024 nan 4.420 nan 0.000 0.263 478 P C -0.914 176.355 177.300 -0.053 0.000 1.175 478 P CA 0.138 63.188 63.100 -0.084 0.000 0.761 478 P CB 0.474 32.229 31.700 0.092 0.000 0.794 479 L N 5.604 126.715 121.223 -0.187 0.000 2.406 479 L HA 0.480 4.820 4.340 0.001 0.000 0.272 479 L C -1.733 175.022 176.870 -0.191 0.000 0.980 479 L CA -0.727 54.063 54.840 -0.082 0.000 0.831 479 L CB 0.891 42.899 42.059 -0.085 0.000 1.253 479 L HN 0.205 nan 8.230 nan 0.000 0.406 480 Y N 2.788 123.049 120.300 -0.065 0.000 2.331 480 Y HA 0.766 5.317 4.550 0.001 0.000 0.338 480 Y C 0.587 176.391 175.900 -0.160 0.000 0.992 480 Y CA -0.490 57.555 58.100 -0.091 0.000 1.121 480 Y CB 2.034 40.412 38.460 -0.137 0.000 1.184 480 Y HN 0.694 nan 8.280 nan 0.000 0.469 481 T N 0.680 115.239 114.554 0.009 0.000 2.883 481 T HA 0.734 5.085 4.350 0.001 0.000 0.296 481 T C -1.591 173.026 174.700 -0.139 0.000 1.117 481 T CA -0.894 61.145 62.100 -0.102 0.000 1.006 481 T CB 1.988 70.834 68.868 -0.036 0.000 1.191 481 T HN 0.395 nan 8.240 nan 0.000 0.508 482 L N 1.446 122.456 121.223 -0.355 0.000 2.346 482 L HA 0.647 4.987 4.340 0.001 0.000 0.274 482 L C -0.862 175.641 176.870 -0.611 0.000 1.007 482 L CA -0.350 54.322 54.840 -0.279 0.000 0.818 482 L CB 1.444 43.398 42.059 -0.176 0.000 1.284 482 L HN 0.848 nan 8.230 nan 0.000 0.424 483 H N 1.284 120.120 119.070 -0.390 0.000 2.928 483 H HA 0.569 5.125 4.556 0.001 0.000 0.371 483 H C -0.985 174.100 175.328 -0.404 0.000 1.186 483 H CA -0.816 54.891 56.048 -0.568 0.000 1.134 483 H CB 2.161 31.180 29.762 -1.238 0.000 1.824 483 H HN 0.583 nan 8.280 nan 0.000 0.554 484 S N 0.313 115.923 115.700 -0.150 0.000 2.475 484 S HA 0.234 4.705 4.470 0.001 0.000 0.298 484 S C 0.610 175.146 174.600 -0.107 0.000 1.119 484 S CA -0.647 57.462 58.200 -0.151 0.000 1.085 484 S CB 1.916 65.063 63.200 -0.088 0.000 1.028 484 S HN 0.558 nan 8.310 nan 0.000 0.489 485 S N 2.180 117.822 115.700 -0.096 0.000 2.387 485 S HA -0.095 4.376 4.470 0.001 0.000 0.226 485 S C 1.964 176.586 174.600 0.036 0.000 1.026 485 S CA 0.920 59.178 58.200 0.096 0.000 0.972 485 S CB -0.530 62.717 63.200 0.079 0.000 0.814 485 S HN 0.715 nan 8.310 nan 0.000 0.477 486 V N 2.866 122.757 119.914 -0.039 0.000 2.250 486 V HA -0.199 3.922 4.120 0.001 0.000 0.250 486 V C 0.845 176.941 176.094 0.003 0.000 1.060 486 V CA 1.947 64.241 62.300 -0.011 0.000 1.030 486 V CB -0.299 31.507 31.823 -0.028 0.000 0.643 486 V HN 0.500 nan 8.190 nan 0.000 0.445 487 N N -0.762 117.936 118.700 -0.003 0.000 2.241 487 N HA 0.134 4.875 4.740 0.001 0.000 0.238 487 N C -0.381 175.134 175.510 0.008 0.000 1.244 487 N CA 0.481 53.532 53.050 0.002 0.000 0.880 487 N CB 0.497 38.986 38.487 0.002 0.000 1.179 487 N HN 0.499 nan 8.380 nan 0.000 0.513 488 D N 1.130 121.551 120.400 0.035 0.000 2.708 488 D HA -0.164 4.476 4.640 0.001 0.000 0.236 488 D C -0.136 176.190 176.300 0.043 0.000 1.146 488 D CA 1.073 55.119 54.000 0.077 0.000 0.662 488 D CB -0.921 39.915 40.800 0.060 0.000 1.059 488 D HN 0.376 nan 8.370 nan 0.000 0.428 489 K N 0.059 120.463 120.400 0.006 0.000 2.237 489 K HA 0.393 4.714 4.320 0.001 0.000 0.270 489 K C 1.074 177.648 176.600 -0.042 0.000 1.015 489 K CA -0.052 56.227 56.287 -0.013 0.000 0.949 489 K CB 0.995 33.479 32.500 -0.026 0.000 0.976 489 K HN 0.136 nan 8.250 nan 0.000 0.472 490 G N 3.080 111.837 108.800 -0.072 0.000 2.457 490 G HA2 0.218 4.179 3.960 0.001 0.000 0.316 490 G HA3 0.218 4.179 3.960 0.001 0.000 0.316 490 G C 0.811 175.564 174.900 -0.245 0.000 1.030 490 G CA -0.418 44.531 45.100 -0.251 0.000 1.073 490 G HN 0.535 nan 8.290 nan 0.000 0.430 491 L N 1.630 122.675 121.223 -0.297 0.000 1.988 491 L HA 0.203 4.544 4.340 0.001 0.000 0.207 491 L C 1.724 178.492 176.870 -0.169 0.000 1.071 491 L CA 1.100 55.834 54.840 -0.177 0.000 0.744 491 L CB -0.244 41.734 42.059 -0.135 0.000 0.893 491 L HN 0.677 nan 8.230 nan 0.000 0.433 492 R N -1.678 118.686 120.500 -0.227 0.000 2.712 492 R HA 0.463 4.804 4.340 0.001 0.000 0.272 492 R C -1.696 174.474 176.300 -0.216 0.000 1.032 492 R CA -0.865 55.128 56.100 -0.178 0.000 0.874 492 R CB 1.558 31.784 30.300 -0.123 0.000 1.256 492 R HN -0.245 nan 8.270 nan 0.000 0.468 493 V N 3.328 123.142 119.914 -0.167 0.000 2.406 493 V HA 0.177 4.298 4.120 0.001 0.000 0.272 493 V C 1.259 177.217 176.094 -0.227 0.000 1.043 493 V CA -0.380 61.820 62.300 -0.166 0.000 0.915 493 V CB 1.100 32.861 31.823 -0.103 0.000 0.988 493 V HN 0.660 nan 8.190 nan 0.000 0.466 494 L N 2.749 123.762 121.223 -0.349 0.000 2.202 494 L HA 0.292 4.633 4.340 0.001 0.000 0.205 494 L C 0.720 177.299 176.870 -0.485 0.000 1.083 494 L CA 0.687 55.125 54.840 -0.671 0.000 0.790 494 L CB 0.191 41.448 42.059 -1.337 0.000 0.942 494 L HN 0.672 nan 8.230 nan 0.000 0.452 495 E N -0.009 120.050 120.200 -0.234 0.000 2.406 495 E HA 0.090 4.441 4.350 0.001 0.000 0.297 495 E C -1.244 175.393 176.600 0.062 0.000 0.917 495 E CA -0.355 56.012 56.400 -0.054 0.000 0.795 495 E CB 1.044 30.709 29.700 -0.058 0.000 1.285 495 E HN 0.164 nan 8.360 nan 0.000 0.400 496 D N 3.033 123.452 120.400 0.032 0.000 2.469 496 D HA 0.154 4.794 4.640 0.001 0.000 0.215 496 D C -0.267 176.046 176.300 0.023 0.000 1.154 496 D CA -0.271 53.746 54.000 0.027 0.000 0.832 496 D CB -0.030 40.765 40.800 -0.008 0.000 1.008 496 D HN 0.439 nan 8.370 nan 0.000 0.506 497 N N 0.478 119.204 118.700 0.044 0.000 2.708 497 N HA -0.215 4.526 4.740 0.001 0.000 0.249 497 N C 0.886 176.400 175.510 0.007 0.000 1.097 497 N CA 0.942 54.012 53.050 0.033 0.000 0.710 497 N CB -1.269 37.233 38.487 0.024 0.000 1.032 497 N HN 0.498 nan 8.380 nan 0.000 0.551 498 S N -1.282 114.423 115.700 0.008 0.000 2.423 498 S HA -0.006 4.465 4.470 0.001 0.000 0.231 498 S C 2.097 176.707 174.600 0.018 0.000 1.014 498 S CA 0.855 59.057 58.200 0.003 0.000 0.965 498 S CB -0.061 63.141 63.200 0.003 0.000 0.785 498 S HN 0.516 nan 8.310 nan 0.000 0.495 499 A N 2.289 125.129 122.820 0.033 0.000 1.858 499 A HA 0.024 4.345 4.320 0.001 0.000 0.216 499 A C 2.225 179.847 177.584 0.063 0.000 1.190 499 A CA 1.667 53.733 52.037 0.048 0.000 0.617 499 A CB -1.008 18.025 19.000 0.056 0.000 0.827 499 A HN 0.503 nan 8.150 nan 0.000 0.443 500 L N 0.451 121.715 121.223 0.068 0.000 2.083 500 L HA -0.172 4.169 4.340 0.001 0.000 0.209 500 L C 1.934 178.827 176.870 0.040 0.000 1.083 500 L CA 2.832 57.725 54.840 0.089 0.000 0.752 500 L CB -0.806 41.305 42.059 0.088 0.000 0.899 500 L HN 0.554 nan 8.230 nan 0.000 0.433 501 D N -0.708 119.689 120.400 -0.004 0.000 2.123 501 D HA -0.284 4.357 4.640 0.001 0.000 0.196 501 D C 2.268 178.565 176.300 -0.005 0.000 0.992 501 D CA 1.633 55.613 54.000 -0.034 0.000 0.833 501 D CB -0.135 40.637 40.800 -0.046 0.000 0.954 501 D HN 0.352 nan 8.370 nan 0.000 0.455 502 K N -0.449 119.962 120.400 0.019 0.000 2.057 502 K HA -0.162 4.159 4.320 0.001 0.000 0.207 502 K C 2.162 178.794 176.600 0.053 0.000 1.049 502 K CA 1.167 57.473 56.287 0.031 0.000 0.931 502 K CB -0.116 32.406 32.500 0.037 0.000 0.714 502 K HN 0.255 nan 8.250 nan 0.000 0.440 503 M N 0.656 120.308 119.600 0.087 0.000 2.175 503 M HA -0.110 4.371 4.480 0.001 0.000 0.264 503 M C 1.990 178.341 176.300 0.084 0.000 1.063 503 M CA 1.234 56.623 55.300 0.148 0.000 1.119 503 M CB -0.071 32.696 32.600 0.278 0.000 1.377 503 M HN 0.136 nan 8.290 nan 0.000 0.415 504 L N -0.305 120.911 121.223 -0.011 0.000 2.362 504 L HA -0.184 4.157 4.340 0.001 0.000 0.219 504 L C 2.259 179.096 176.870 -0.055 0.000 1.134 504 L CA 0.820 55.589 54.840 -0.118 0.000 0.807 504 L CB -0.614 41.373 42.059 -0.120 0.000 0.927 504 L HN 0.421 nan 8.230 nan 0.000 0.447 505 Q N 0.059 119.852 119.800 -0.011 0.000 2.170 505 Q HA -0.117 4.224 4.340 0.001 0.000 0.203 505 Q C 1.063 177.076 176.000 0.022 0.000 0.976 505 Q CA 0.914 56.719 55.803 0.003 0.000 0.858 505 Q CB 0.038 28.784 28.738 0.013 0.000 0.907 505 Q HN 0.545 nan 8.270 nan 0.000 0.433 506 N N 0.086 118.809 118.700 0.039 0.000 2.322 506 N HA 0.070 4.811 4.740 0.001 0.000 0.216 506 N C -0.876 174.674 175.510 0.068 0.000 1.144 506 N CA 0.253 53.340 53.050 0.062 0.000 0.830 506 N CB 1.026 39.565 38.487 0.088 0.000 1.034 506 N HN -0.055 nan 8.380 nan 0.000 0.484 507 V N 0.765 120.698 119.914 0.031 0.000 2.789 507 V HA 0.199 4.320 4.120 0.001 0.000 0.311 507 V C -0.113 175.992 176.094 0.018 0.000 1.073 507 V CA -0.896 61.423 62.300 0.031 0.000 0.921 507 V CB 2.715 34.509 31.823 -0.048 0.000 1.009 507 V HN 0.005 nan 8.190 nan 0.000 0.426 508 Q N 4.183 124.009 119.800 0.043 0.000 2.534 508 Q HA 0.350 4.690 4.340 0.001 0.000 0.223 508 Q C -0.468 175.515 176.000 -0.029 0.000 1.239 508 Q CA -0.218 55.587 55.803 0.005 0.000 0.936 508 Q CB 0.440 29.204 28.738 0.044 0.000 1.457 508 Q HN 0.517 nan 8.270 nan 0.000 0.547 509 M N 3.671 123.235 119.600 -0.060 0.000 2.250 509 M HA 0.328 4.808 4.480 0.001 0.000 0.344 509 M C -1.913 174.322 176.300 -0.108 0.000 1.150 509 M CA -2.330 52.924 55.300 -0.077 0.000 1.147 509 M CB -0.006 32.552 32.600 -0.070 0.000 1.498 509 M HN 0.302 nan 8.290 nan 0.000 0.461 510 P HA 0.260 nan 4.420 nan 0.000 0.276 510 P C -0.800 176.422 177.300 -0.130 0.000 1.252 510 P CA -0.327 62.689 63.100 -0.141 0.000 0.802 510 P CB 0.746 32.353 31.700 -0.155 0.000 1.035 511 S N -0.332 115.279 115.700 -0.149 0.000 2.739 511 S HA 0.644 5.114 4.470 0.001 0.000 0.306 511 S C -0.518 173.993 174.600 -0.148 0.000 1.115 511 S CA -0.767 57.357 58.200 -0.127 0.000 0.985 511 S CB 1.680 64.802 63.200 -0.130 0.000 1.133 511 S HN 0.546 nan 8.310 nan 0.000 0.541 512 K N 0.324 120.655 120.400 -0.115 0.000 2.471 512 K HA 0.420 4.740 4.320 0.001 0.000 0.252 512 K C -1.457 175.081 176.600 -0.102 0.000 0.938 512 K CA -0.519 55.702 56.287 -0.110 0.000 0.796 512 K CB 1.534 33.992 32.500 -0.071 0.000 1.161 512 K HN 0.722 nan 8.250 nan 0.000 0.425 513 K N 4.872 125.198 120.400 -0.123 0.000 2.206 513 K HA 0.364 4.685 4.320 0.001 0.000 0.264 513 K C -1.589 174.961 176.600 -0.084 0.000 0.967 513 K CA -0.833 55.387 56.287 -0.112 0.000 0.844 513 K CB 1.037 33.440 32.500 -0.161 0.000 1.099 513 K HN 0.461 nan 8.250 nan 0.000 0.441 514 L N 4.005 125.197 121.223 -0.051 0.000 2.349 514 L HA 0.553 4.894 4.340 0.001 0.000 0.278 514 L C -1.219 175.638 176.870 -0.022 0.000 0.996 514 L CA 0.145 54.986 54.840 0.002 0.000 0.825 514 L CB 1.495 43.628 42.059 0.125 0.000 1.243 514 L HN 0.876 nan 8.230 nan 0.000 0.412 515 D N 2.656 122.886 120.400 -0.283 0.000 2.946 515 D HA 0.476 5.116 4.640 0.001 0.000 0.337 515 D C -1.761 174.171 176.300 -0.612 0.000 1.332 515 D CA -0.040 53.697 54.000 -0.439 0.000 0.935 515 D CB 1.964 42.470 40.800 -0.490 0.000 1.440 515 D HN 0.277 nan 8.370 nan 0.000 0.540 516 F N 0.231 119.830 119.950 -0.586 0.000 2.613 516 F HA 0.675 5.203 4.527 0.001 0.000 0.310 516 F C -0.907 174.963 175.800 0.116 0.000 1.085 516 F CA -1.015 56.769 58.000 -0.359 0.000 0.945 516 F CB 0.919 39.268 39.000 -1.086 0.000 1.298 516 F HN 0.252 nan 8.300 nan 0.000 0.455 517 I N 0.352 121.211 120.570 0.481 0.000 2.910 517 I HA 0.712 4.882 4.170 0.001 0.000 0.310 517 I C -1.217 175.151 176.117 0.418 0.000 1.043 517 I CA -1.233 60.265 61.300 0.330 0.000 1.053 517 I CB 2.364 40.502 38.000 0.230 0.000 1.242 517 I HN 0.659 nan 8.210 nan 0.000 0.452 518 I N 3.448 124.191 120.570 0.288 0.000 2.525 518 I HA 0.486 4.657 4.170 0.001 0.000 0.301 518 I C -0.784 175.484 176.117 0.253 0.000 0.992 518 I CA -0.837 60.632 61.300 0.283 0.000 1.162 518 I CB 2.025 40.147 38.000 0.203 0.000 1.332 518 I HN 0.404 nan 8.210 nan 0.000 0.458 519 L N 5.231 126.643 121.223 0.316 0.000 2.541 519 L HA 0.330 4.671 4.340 0.001 0.000 0.266 519 L C -0.765 176.239 176.870 0.225 0.000 0.966 519 L CA -0.641 54.348 54.840 0.249 0.000 0.871 519 L CB 1.478 43.701 42.059 0.273 0.000 1.232 519 L HN 0.634 nan 8.230 nan 0.000 0.408 520 N N 2.732 121.503 118.700 0.118 0.000 2.671 520 N HA -0.210 4.531 4.740 0.001 0.000 0.261 520 N C 0.473 176.030 175.510 0.079 0.000 1.053 520 N CA 1.358 54.457 53.050 0.081 0.000 0.732 520 N CB -0.601 37.926 38.487 0.066 0.000 0.887 520 N HN 0.864 nan 8.380 nan 0.000 0.546 521 E N -3.788 116.454 120.200 0.070 0.000 3.562 521 E HA -0.293 4.057 4.350 0.001 0.000 0.298 521 E C -0.371 176.244 176.600 0.025 0.000 0.830 521 E CA 1.743 58.170 56.400 0.045 0.000 1.013 521 E CB -1.157 28.559 29.700 0.026 0.000 1.510 521 E HN 0.566 nan 8.360 nan 0.000 0.463 522 T N 1.192 115.773 114.554 0.045 0.000 2.829 522 T HA 0.359 4.710 4.350 0.001 0.000 0.282 522 T C -0.073 174.549 174.700 -0.130 0.000 0.990 522 T CA -0.832 61.216 62.100 -0.087 0.000 1.028 522 T CB 1.127 69.918 68.868 -0.128 0.000 0.951 522 T HN 0.153 nan 8.240 nan 0.000 0.460 523 K N 2.398 122.633 120.400 -0.276 0.000 2.172 523 K HA 0.591 4.912 4.320 0.001 0.000 0.276 523 K C -1.341 175.013 176.600 -0.408 0.000 1.013 523 K CA -0.583 55.584 56.287 -0.201 0.000 0.913 523 K CB 0.915 33.156 32.500 -0.432 0.000 1.055 523 K HN 0.356 nan 8.250 nan 0.000 0.461 524 F N 1.403 121.455 119.950 0.169 0.000 2.529 524 F HA 0.350 4.878 4.527 0.001 0.000 0.320 524 F C -0.771 175.177 175.800 0.245 0.000 1.118 524 F CA -0.744 57.364 58.000 0.180 0.000 0.915 524 F CB 1.205 40.287 39.000 0.137 0.000 1.161 524 F HN 0.526 nan 8.300 nan 0.000 0.445 525 W N 3.426 124.892 121.300 0.276 0.000 2.303 525 W HA 0.530 5.190 4.660 0.001 0.000 0.334 525 W C -0.635 176.115 176.519 0.384 0.000 1.197 525 W CA -0.624 56.907 57.345 0.310 0.000 1.262 525 W CB 0.600 30.157 29.460 0.162 0.000 1.153 525 W HN 0.445 nan 8.180 nan 0.000 0.596 526 Y N -0.546 120.097 120.300 0.571 0.000 2.625 526 Y HA 0.653 5.204 4.550 0.001 0.000 0.338 526 Y C -1.019 175.101 175.900 0.366 0.000 1.123 526 Y CA -1.866 56.555 58.100 0.536 0.000 1.046 526 Y CB 1.148 40.067 38.460 0.765 0.000 1.299 526 Y HN 0.556 nan 8.280 nan 0.000 0.464 527 Q N 2.156 122.186 119.800 0.383 0.000 2.397 527 Q HA 0.744 5.085 4.340 0.001 0.000 0.275 527 Q C -1.816 174.295 176.000 0.186 0.000 1.090 527 Q CA -1.160 54.743 55.803 0.166 0.000 0.809 527 Q CB 3.305 32.114 28.738 0.118 0.000 1.362 527 Q HN 0.865 nan 8.270 nan 0.000 0.431 528 M N 2.548 122.182 119.600 0.056 0.000 2.326 528 M HA 0.435 4.916 4.480 0.001 0.000 0.306 528 M C -1.209 175.021 176.300 -0.116 0.000 1.054 528 M CA -0.935 54.342 55.300 -0.039 0.000 0.922 528 M CB 2.113 34.656 32.600 -0.096 0.000 1.632 528 M HN 0.610 nan 8.290 nan 0.000 0.436 529 I N 5.349 125.849 120.570 -0.117 0.000 2.291 529 I HA 0.327 4.498 4.170 0.001 0.000 0.292 529 I C -0.360 175.623 176.117 -0.223 0.000 1.064 529 I CA -0.224 60.984 61.300 -0.152 0.000 1.269 529 I CB 0.163 38.090 38.000 -0.120 0.000 1.418 529 I HN 0.627 nan 8.210 nan 0.000 0.485 530 L N 8.381 129.424 121.223 -0.301 0.000 2.325 530 L HA 0.466 4.807 4.340 0.001 0.000 0.279 530 L C -2.193 174.506 176.870 -0.284 0.000 1.054 530 L CA -1.819 52.769 54.840 -0.419 0.000 0.804 530 L CB 0.906 42.543 42.059 -0.703 0.000 1.200 530 L HN 0.262 nan 8.230 nan 0.000 0.436 531 P HA 0.112 nan 4.420 nan 0.000 0.270 531 P C -2.483 174.762 177.300 -0.091 0.000 1.223 531 P CA -0.921 62.099 63.100 -0.133 0.000 0.785 531 P CB -0.074 31.579 31.700 -0.080 0.000 0.923 532 P HA -0.050 nan 4.420 nan 0.000 0.267 532 P C -0.318 176.876 177.300 -0.177 0.000 1.200 532 P CA 0.786 63.736 63.100 -0.250 0.000 0.772 532 P CB -0.187 31.355 31.700 -0.263 0.000 0.855 533 H N -0.783 118.321 119.070 0.057 0.000 2.713 533 H HA -0.214 4.343 4.556 0.001 0.000 0.311 533 H C 0.120 175.505 175.328 0.094 0.000 1.175 533 H CA -0.053 56.033 56.048 0.063 0.000 1.143 533 H CB -2.259 27.532 29.762 0.048 0.000 1.434 533 H HN 0.391 nan 8.280 nan 0.000 0.418 534 F N 2.423 122.356 119.950 -0.027 0.000 2.604 534 F HA 0.049 4.577 4.527 0.001 0.000 0.393 534 F C 0.620 176.441 175.800 0.034 0.000 1.043 534 F CA 0.118 58.067 58.000 -0.086 0.000 1.227 534 F CB 0.472 39.316 39.000 -0.259 0.000 1.016 534 F HN 0.169 nan 8.300 nan 0.000 0.556 535 D N 6.434 126.520 120.400 -0.524 0.000 2.464 535 D HA 0.133 4.774 4.640 0.001 0.000 0.243 535 D C 0.602 176.522 176.300 -0.635 0.000 1.104 535 D CA -0.503 53.248 54.000 -0.416 0.000 0.883 535 D CB 0.880 41.601 40.800 -0.133 0.000 1.050 535 D HN 0.682 nan 8.370 nan 0.000 0.524 536 K N 0.560 120.524 120.400 -0.726 0.000 2.442 536 K HA -0.142 4.179 4.320 0.001 0.000 0.200 536 K C 1.320 177.889 176.600 -0.052 0.000 1.045 536 K CA 0.970 57.037 56.287 -0.367 0.000 0.937 536 K CB -0.162 32.294 32.500 -0.073 0.000 0.757 536 K HN 0.212 nan 8.250 nan 0.000 0.474 537 S N -0.102 115.537 115.700 -0.101 0.000 2.575 537 S HA 0.116 4.587 4.470 0.001 0.000 0.215 537 S C 0.242 174.798 174.600 -0.074 0.000 0.966 537 S CA -0.533 57.637 58.200 -0.050 0.000 0.911 537 S CB 0.084 63.251 63.200 -0.056 0.000 0.780 537 S HN 0.166 nan 8.310 nan 0.000 0.514 538 K N 0.791 121.119 120.400 -0.119 0.000 2.258 538 K HA 0.505 4.825 4.320 0.001 0.000 0.236 538 K C -0.786 175.708 176.600 -0.178 0.000 1.008 538 K CA -1.005 55.149 56.287 -0.221 0.000 0.869 538 K CB 0.759 32.998 32.500 -0.434 0.000 1.171 538 K HN -0.082 nan 8.250 nan 0.000 0.447 539 K N 1.926 122.174 120.400 -0.253 0.000 2.265 539 K HA 0.310 4.631 4.320 0.001 0.000 0.267 539 K C -1.068 175.387 176.600 -0.242 0.000 0.994 539 K CA -0.359 55.848 56.287 -0.133 0.000 0.860 539 K CB 0.745 33.179 32.500 -0.109 0.000 1.099 539 K HN 0.465 nan 8.250 nan 0.000 0.448 540 Y N 3.026 123.347 120.300 0.035 0.000 2.409 540 Y HA 0.308 4.859 4.550 0.001 0.000 0.339 540 Y C -1.767 174.068 175.900 -0.108 0.000 1.033 540 Y CA -2.192 55.908 58.100 -0.001 0.000 1.094 540 Y CB 1.422 39.956 38.460 0.123 0.000 1.210 540 Y HN 0.442 nan 8.280 nan 0.000 0.456 541 P HA 0.182 nan 4.420 nan 0.000 0.274 541 P C -1.163 175.993 177.300 -0.240 0.000 1.237 541 P CA -0.230 62.577 63.100 -0.488 0.000 0.793 541 P CB 1.757 32.742 31.700 -1.193 0.000 0.977 542 L N 2.431 123.566 121.223 -0.146 0.000 2.410 542 L HA 0.503 4.844 4.340 0.001 0.000 0.270 542 L C -1.292 175.766 176.870 0.313 0.000 0.983 542 L CA -1.164 53.731 54.840 0.091 0.000 0.822 542 L CB 1.797 43.904 42.059 0.080 0.000 1.285 542 L HN 0.155 nan 8.230 nan 0.000 0.409 543 L N 5.483 126.899 121.223 0.322 0.000 2.280 543 L HA 0.479 4.820 4.340 0.001 0.000 0.287 543 L C -1.145 175.944 176.870 0.366 0.000 1.023 543 L CA -0.315 54.764 54.840 0.398 0.000 0.819 543 L CB 1.488 43.740 42.059 0.322 0.000 1.212 543 L HN 0.627 nan 8.230 nan 0.000 0.420 544 L N 5.245 126.725 121.223 0.429 0.000 2.295 544 L HA 0.349 4.689 4.340 0.001 0.000 0.288 544 L C -0.488 176.607 176.870 0.375 0.000 1.079 544 L CA 0.198 55.276 54.840 0.397 0.000 0.830 544 L CB 0.351 42.679 42.059 0.448 0.000 1.200 544 L HN 0.629 nan 8.230 nan 0.000 0.438 545 D N 4.386 124.988 120.400 0.337 0.000 2.339 545 D HA 0.249 4.890 4.640 0.001 0.000 0.241 545 D C -0.917 175.462 176.300 0.133 0.000 1.183 545 D CA 0.077 54.206 54.000 0.214 0.000 0.859 545 D CB 1.153 42.145 40.800 0.320 0.000 1.067 545 D HN 0.309 nan 8.370 nan 0.000 0.484 546 V N 5.349 125.276 119.914 0.022 0.000 2.823 546 V HA 0.481 4.602 4.120 0.001 0.000 0.312 546 V C -1.025 175.152 176.094 0.138 0.000 1.072 546 V CA -0.451 61.922 62.300 0.121 0.000 0.937 546 V CB 1.822 33.723 31.823 0.130 0.000 1.013 546 V HN 0.674 nan 8.190 nan 0.000 0.430 547 Y N 4.943 125.308 120.300 0.109 0.000 3.105 547 Y HA 0.552 5.103 4.550 0.001 0.000 0.216 547 Y C 1.592 177.623 175.900 0.218 0.000 0.943 547 Y CA 1.176 59.366 58.100 0.150 0.000 1.535 547 Y CB 0.298 38.827 38.460 0.115 0.000 1.475 547 Y HN 1.093 nan 8.280 nan 0.000 0.435 548 A N 1.023 123.974 122.820 0.218 0.000 2.861 548 A HA -0.179 4.142 4.320 0.001 0.000 0.261 548 A C 0.920 178.338 177.584 -0.276 0.000 1.351 548 A CA 0.922 53.008 52.037 0.083 0.000 0.904 548 A CB -2.487 16.612 19.000 0.166 0.000 1.076 548 A HN 0.926 nan 8.150 nan 0.000 0.729 549 G N -0.430 107.997 108.800 -0.621 0.000 2.684 549 G HA2 0.473 4.434 3.960 0.001 0.000 0.255 549 G HA3 0.473 4.434 3.960 0.001 0.000 0.255 549 G C -1.805 172.779 174.900 -0.528 0.000 1.219 549 G CA -0.487 43.812 45.100 -1.335 0.000 0.901 549 G HN 0.452 nan 8.290 nan 0.000 0.548 550 P HA 0.059 nan 4.420 nan 0.000 0.267 550 P C 0.528 177.691 177.300 -0.228 0.000 1.209 550 P CA 0.196 63.035 63.100 -0.435 0.000 0.763 550 P CB 0.869 31.969 31.700 -1.000 0.000 0.816 551 C N 2.288 121.513 119.300 -0.126 0.000 4.417 551 C HA -0.140 4.321 4.460 0.001 0.000 0.284 551 C C 1.038 176.045 174.990 0.029 0.000 1.379 551 C CA 1.143 60.057 59.018 -0.173 0.000 1.918 551 C CB -2.628 24.872 27.740 -0.401 0.000 1.280 551 C HN 0.829 nan 8.230 nan 0.000 0.783 552 S N -0.013 115.765 115.700 0.130 0.000 2.669 552 S HA 0.657 5.128 4.470 0.001 0.000 0.270 552 S C -0.677 174.086 174.600 0.272 0.000 1.225 552 S CA 0.081 58.444 58.200 0.271 0.000 0.991 552 S CB 1.733 65.151 63.200 0.364 0.000 0.987 552 S HN 0.846 nan 8.310 nan 0.000 0.552 553 Q N -0.212 119.762 119.800 0.290 0.000 2.296 553 Q HA 0.368 4.709 4.340 0.001 0.000 0.254 553 Q C -0.950 175.163 176.000 0.189 0.000 0.936 553 Q CA -0.585 55.376 55.803 0.263 0.000 0.834 553 Q CB 1.176 30.114 28.738 0.333 0.000 1.340 553 Q HN 0.707 nan 8.270 nan 0.000 0.428 554 K N 1.042 121.555 120.400 0.188 0.000 2.402 554 K HA 0.354 4.675 4.320 0.001 0.000 0.204 554 K C -0.585 176.115 176.600 0.166 0.000 1.056 554 K CA 0.269 56.656 56.287 0.167 0.000 1.069 554 K CB 1.724 34.350 32.500 0.211 0.000 0.888 554 K HN 0.490 nan 8.250 nan 0.000 0.546 555 A N 2.684 125.612 122.820 0.180 0.000 2.328 555 A HA 0.443 4.763 4.320 0.001 0.000 0.318 555 A C -0.839 176.817 177.584 0.120 0.000 1.347 555 A CA -0.532 51.618 52.037 0.188 0.000 0.842 555 A CB 0.120 19.296 19.000 0.293 0.000 1.148 555 A HN 0.226 nan 8.150 nan 0.000 0.499 556 D N -0.158 120.283 120.400 0.068 0.000 2.744 556 D HA 0.454 5.095 4.640 0.001 0.000 0.304 556 D C 0.493 176.797 176.300 0.007 0.000 1.179 556 D CA 0.267 54.290 54.000 0.038 0.000 1.024 556 D CB 0.350 41.161 40.800 0.017 0.000 1.453 556 D HN 0.138 nan 8.370 nan 0.000 0.529 557 T N -2.391 112.176 114.554 0.022 0.000 3.163 557 T HA 0.296 4.647 4.350 0.001 0.000 0.252 557 T C 0.434 175.084 174.700 -0.084 0.000 1.056 557 T CA -0.393 61.714 62.100 0.012 0.000 0.947 557 T CB -0.674 68.248 68.868 0.089 0.000 1.016 557 T HN 0.262 nan 8.240 nan 0.000 0.554 558 V N 2.665 122.426 119.914 -0.254 0.000 2.637 558 V HA 0.301 4.422 4.120 0.001 0.000 0.296 558 V C 0.144 176.166 176.094 -0.120 0.000 1.046 558 V CA -0.938 61.175 62.300 -0.312 0.000 1.066 558 V CB -0.060 31.449 31.823 -0.524 0.000 0.968 558 V HN 0.559 nan 8.190 nan 0.000 0.483 559 F N 6.577 126.426 119.950 -0.169 0.000 2.438 559 F HA 0.570 5.098 4.527 0.001 0.000 0.356 559 F C 0.500 176.242 175.800 -0.097 0.000 1.099 559 F CA -0.175 57.754 58.000 -0.118 0.000 1.185 559 F CB 0.268 39.209 39.000 -0.099 0.000 1.115 559 F HN 0.444 nan 8.300 nan 0.000 0.526 560 R N 6.604 126.550 120.500 -0.924 0.000 2.698 560 R HA 0.545 4.886 4.340 0.001 0.000 0.275 560 R C -1.724 174.129 176.300 -0.744 0.000 1.001 560 R CA -1.083 54.644 56.100 -0.623 0.000 0.896 560 R CB 2.148 32.272 30.300 -0.294 0.000 1.218 560 R HN 0.656 nan 8.270 nan 0.000 0.462 561 L N 3.874 124.858 121.223 -0.399 0.000 2.324 561 L HA 0.427 4.768 4.340 0.001 0.000 0.274 561 L C -0.753 176.100 176.870 -0.028 0.000 1.012 561 L CA -0.694 53.979 54.840 -0.279 0.000 0.859 561 L CB 0.739 42.772 42.059 -0.043 0.000 1.224 561 L HN 0.767 nan 8.230 nan 0.000 0.429 562 N N 0.224 118.828 118.700 -0.159 0.000 3.316 562 N HA 0.167 4.908 4.740 0.001 0.000 0.300 562 N C 0.174 175.341 175.510 -0.572 0.000 1.567 562 N CA -0.926 51.916 53.050 -0.346 0.000 0.821 562 N CB 0.197 38.614 38.487 -0.117 0.000 1.748 562 N HN 0.311 nan 8.380 nan 0.000 0.603 563 W N 0.715 121.387 121.300 -1.047 0.000 2.321 563 W HA 0.018 4.679 4.660 0.001 0.000 0.306 563 W C 2.040 178.511 176.519 -0.081 0.000 1.217 563 W CA 3.112 60.118 57.345 -0.564 0.000 1.257 563 W CB -1.002 28.281 29.460 -0.295 0.000 1.145 563 W HN 0.714 nan 8.180 nan 0.000 0.509 564 A N -0.637 122.169 122.820 -0.022 0.000 1.940 564 A HA -0.216 4.105 4.320 0.001 0.000 0.219 564 A C 1.950 179.430 177.584 -0.173 0.000 1.176 564 A CA 2.503 54.456 52.037 -0.139 0.000 0.631 564 A CB -1.319 17.683 19.000 0.003 0.000 0.814 564 A HN 0.307 nan 8.150 nan 0.000 0.446 565 T N -1.200 113.263 114.554 -0.152 0.000 2.684 565 T HA -0.221 4.130 4.350 0.001 0.000 0.267 565 T C 1.807 176.508 174.700 0.002 0.000 1.036 565 T CA 1.847 63.829 62.100 -0.197 0.000 1.148 565 T CB -0.477 68.101 68.868 -0.483 0.000 0.863 565 T HN 0.718 nan 8.240 nan 0.000 0.436 566 Y N 1.781 122.145 120.300 0.108 0.000 2.200 566 Y HA 0.037 4.588 4.550 0.001 0.000 0.290 566 Y C 1.948 177.835 175.900 -0.020 0.000 1.137 566 Y CA 0.824 59.041 58.100 0.194 0.000 1.163 566 Y CB -0.696 37.888 38.460 0.206 0.000 0.988 566 Y HN 0.116 nan 8.280 nan 0.000 0.518 567 L N 0.216 120.998 121.223 -0.736 0.000 2.079 567 L HA -0.218 4.123 4.340 0.001 0.000 0.210 567 L C 2.770 179.373 176.870 -0.446 0.000 1.081 567 L CA 1.385 55.730 54.840 -0.825 0.000 0.752 567 L CB -0.862 40.761 42.059 -0.727 0.000 0.896 567 L HN 0.441 nan 8.230 nan 0.000 0.433 568 A N -1.544 121.104 122.820 -0.288 0.000 1.903 568 A HA -0.138 4.183 4.320 0.001 0.000 0.213 568 A C 2.485 179.993 177.584 -0.127 0.000 1.185 568 A CA 1.473 53.401 52.037 -0.181 0.000 0.628 568 A CB -0.429 18.468 19.000 -0.171 0.000 0.830 568 A HN 0.313 nan 8.150 nan 0.000 0.446 569 S N -1.024 114.618 115.700 -0.097 0.000 2.371 569 S HA -0.098 4.373 4.470 0.001 0.000 0.224 569 S C 1.931 176.539 174.600 0.013 0.000 1.029 569 S CA 2.201 60.393 58.200 -0.013 0.000 0.978 569 S CB -0.298 62.950 63.200 0.080 0.000 0.833 569 S HN 0.565 nan 8.310 nan 0.000 0.466 570 T N 1.154 115.687 114.554 -0.035 0.000 3.021 570 T HA 0.187 4.538 4.350 0.001 0.000 0.245 570 T C 1.320 175.988 174.700 -0.053 0.000 1.028 570 T CA 0.444 62.546 62.100 0.004 0.000 1.139 570 T CB -0.067 68.876 68.868 0.125 0.000 0.884 570 T HN 0.305 nan 8.240 nan 0.000 0.457 571 E N 1.350 121.433 120.200 -0.194 0.000 2.479 571 E HA 0.159 4.510 4.350 0.001 0.000 0.193 571 E C -0.024 176.563 176.600 -0.022 0.000 1.049 571 E CA -0.058 56.277 56.400 -0.109 0.000 0.870 571 E CB -0.311 29.276 29.700 -0.190 0.000 0.944 571 E HN 0.520 nan 8.360 nan 0.000 0.492 572 N N 0.506 119.199 118.700 -0.010 0.000 2.735 572 N HA -0.194 4.547 4.740 0.001 0.000 0.248 572 N C -0.830 174.752 175.510 0.119 0.000 1.083 572 N CA 0.296 53.404 53.050 0.096 0.000 0.703 572 N CB -1.314 37.290 38.487 0.194 0.000 1.005 572 N HN 0.208 nan 8.380 nan 0.000 0.550 573 I N 0.926 121.498 120.570 0.003 0.000 2.359 573 I HA 0.315 4.486 4.170 0.001 0.000 0.294 573 I C 0.600 176.696 176.117 -0.036 0.000 0.987 573 I CA -0.716 60.594 61.300 0.016 0.000 1.225 573 I CB 1.141 39.168 38.000 0.044 0.000 1.366 573 I HN 0.042 nan 8.210 nan 0.000 0.466 574 I N 6.719 127.281 120.570 -0.013 0.000 2.396 574 I HA 0.152 4.323 4.170 0.001 0.000 0.289 574 I C -0.399 175.712 176.117 -0.010 0.000 1.056 574 I CA -0.384 60.878 61.300 -0.064 0.000 1.365 574 I CB 0.894 38.870 38.000 -0.039 0.000 1.407 574 I HN 0.201 nan 8.210 nan 0.000 0.509 575 V N 6.796 126.690 119.914 -0.032 0.000 2.347 575 V HA 0.616 4.737 4.120 0.001 0.000 0.280 575 V C 0.369 176.491 176.094 0.046 0.000 1.021 575 V CA -0.430 61.897 62.300 0.044 0.000 0.847 575 V CB 1.115 32.959 31.823 0.035 0.000 0.990 575 V HN 0.841 nan 8.190 nan 0.000 0.444 576 A N 4.060 126.934 122.820 0.089 0.000 2.354 576 A HA 0.959 5.280 4.320 0.001 0.000 0.321 576 A C -0.195 177.529 177.584 0.232 0.000 1.125 576 A CA -0.529 51.555 52.037 0.079 0.000 0.799 576 A CB 1.740 20.637 19.000 -0.171 0.000 1.293 576 A HN 0.699 nan 8.150 nan 0.000 0.452 577 S N -0.272 115.614 115.700 0.310 0.000 2.546 577 S HA 0.742 5.213 4.470 0.001 0.000 0.274 577 S C -1.461 173.484 174.600 0.574 0.000 1.121 577 S CA -0.318 58.112 58.200 0.385 0.000 0.887 577 S CB 1.357 64.727 63.200 0.284 0.000 1.094 577 S HN 0.810 nan 8.310 nan 0.000 0.474 578 F N 1.724 121.900 119.950 0.377 0.000 2.569 578 F HA 0.505 5.033 4.527 0.001 0.000 0.312 578 F C -1.611 174.395 175.800 0.342 0.000 1.109 578 F CA -0.723 57.530 58.000 0.422 0.000 0.919 578 F CB 1.526 40.761 39.000 0.393 0.000 1.211 578 F HN 0.397 nan 8.300 nan 0.000 0.446 579 D N 4.345 124.560 120.400 -0.308 0.000 2.427 579 D HA 0.414 5.055 4.640 0.001 0.000 0.226 579 D C 0.268 176.279 176.300 -0.483 0.000 1.076 579 D CA 0.109 53.991 54.000 -0.197 0.000 0.849 579 D CB 1.552 42.390 40.800 0.064 0.000 1.052 579 D HN 0.779 nan 8.370 nan 0.000 0.515 580 G N 1.302 109.926 108.800 -0.294 0.000 2.857 580 G HA2 0.330 4.291 3.960 0.001 0.000 0.217 580 G HA3 0.330 4.291 3.960 0.001 0.000 0.217 580 G C 0.037 174.971 174.900 0.058 0.000 1.357 580 G CA -0.763 44.193 45.100 -0.241 0.000 1.033 580 G HN 0.287 nan 8.290 nan 0.000 0.571 581 R N -0.654 119.845 120.500 -0.002 0.000 2.585 581 R HA 0.353 4.693 4.340 0.001 0.000 0.275 581 R C 1.260 177.651 176.300 0.151 0.000 1.018 581 R CA 1.595 57.790 56.100 0.158 0.000 1.072 581 R CB 0.399 30.759 30.300 0.101 0.000 0.953 581 R HN 1.091 nan 8.270 nan 0.000 0.419 582 G N 1.166 110.050 108.800 0.139 0.000 2.254 582 G HA2 -0.327 3.634 3.960 0.001 0.000 0.225 582 G HA3 -0.327 3.634 3.960 0.001 0.000 0.225 582 G C 0.147 175.071 174.900 0.039 0.000 1.003 582 G CA 0.119 45.275 45.100 0.094 0.000 0.622 582 G HN 0.736 nan 8.290 nan 0.000 0.507 583 S N 0.492 116.229 115.700 0.062 0.000 2.584 583 S HA 0.637 5.108 4.470 0.001 0.000 0.270 583 S C 0.896 175.474 174.600 -0.036 0.000 1.346 583 S CA 0.578 58.806 58.200 0.047 0.000 1.018 583 S CB 1.709 64.971 63.200 0.102 0.000 0.899 583 S HN 1.684 nan 8.310 nan 0.000 0.542 584 G N -0.674 108.061 108.800 -0.108 0.000 2.613 584 G HA2 0.495 4.456 3.960 0.001 0.000 0.303 584 G HA3 0.495 4.456 3.960 0.001 0.000 0.303 584 G C -0.915 173.780 174.900 -0.342 0.000 1.312 584 G CA -1.000 43.846 45.100 -0.424 0.000 1.036 584 G HN 0.974 nan 8.290 nan 0.000 0.513 585 Y N -2.410 117.879 120.300 -0.019 0.000 4.668 585 Y HA -0.222 4.329 4.550 0.001 0.000 0.234 585 Y C 1.415 177.305 175.900 -0.016 0.000 1.056 585 Y CA 1.120 59.214 58.100 -0.010 0.000 2.025 585 Y CB -2.186 36.287 38.460 0.021 0.000 1.613 585 Y HN 0.539 nan 8.280 nan 0.000 0.653 586 Q N -0.091 119.689 119.800 -0.033 0.000 2.093 586 Q HA 0.514 4.855 4.340 0.001 0.000 0.217 586 Q C 0.933 176.761 176.000 -0.288 0.000 0.785 586 Q CA 0.219 56.005 55.803 -0.028 0.000 1.038 586 Q CB 1.744 30.473 28.738 -0.015 0.000 1.190 586 Q HN 0.589 nan 8.270 nan 0.000 0.468 587 G N 0.770 109.276 108.800 -0.490 0.000 2.663 587 G HA2 -0.174 3.786 3.960 0.001 0.000 0.686 587 G HA3 -0.174 3.786 3.960 0.001 0.000 0.686 587 G C -0.544 173.970 174.900 -0.645 0.000 1.246 587 G CA -0.558 43.998 45.100 -0.907 0.000 0.795 587 G HN 0.081 nan 8.290 nan 0.000 0.627 588 D N 0.103 120.094 120.400 -0.682 0.000 2.219 588 D HA -0.062 4.579 4.640 0.001 0.000 0.205 588 D C 2.258 178.290 176.300 -0.445 0.000 0.970 588 D CA 1.454 55.016 54.000 -0.731 0.000 0.851 588 D CB 0.050 40.400 40.800 -0.750 0.000 0.943 588 D HN 0.516 nan 8.370 nan 0.000 0.488 589 K N 0.886 121.081 120.400 -0.341 0.000 2.103 589 K HA -0.074 4.247 4.320 0.001 0.000 0.207 589 K C 1.852 178.385 176.600 -0.112 0.000 1.048 589 K CA 1.012 57.191 56.287 -0.180 0.000 0.930 589 K CB -0.325 32.078 32.500 -0.161 0.000 0.716 589 K HN 0.167 nan 8.250 nan 0.000 0.444 590 I N -0.485 119.996 120.570 -0.150 0.000 2.429 590 I HA -0.083 4.087 4.170 0.001 0.000 0.247 590 I C 2.492 178.597 176.117 -0.021 0.000 1.099 590 I CA 0.824 62.106 61.300 -0.029 0.000 1.422 590 I CB -0.135 37.846 38.000 -0.032 0.000 1.112 590 I HN 0.237 nan 8.210 nan 0.000 0.430 591 M N 0.131 119.641 119.600 -0.150 0.000 2.159 591 M HA -0.234 4.247 4.480 0.001 0.000 0.263 591 M C 1.839 178.162 176.300 0.038 0.000 1.063 591 M CA 2.013 57.245 55.300 -0.112 0.000 1.110 591 M CB -0.291 32.138 32.600 -0.286 0.000 1.374 591 M HN 0.268 nan 8.290 nan 0.000 0.411 592 H N -0.818 118.156 119.070 -0.161 0.000 2.539 592 H HA 0.190 4.746 4.556 0.001 0.000 0.267 592 H C 1.876 177.220 175.328 0.027 0.000 0.982 592 H CA 0.129 56.086 56.048 -0.151 0.000 1.146 592 H CB 0.206 29.787 29.762 -0.303 0.000 1.382 592 H HN 0.531 nan 8.280 nan 0.000 0.577 593 A N 1.562 124.493 122.820 0.185 0.000 2.024 593 A HA -0.143 4.178 4.320 0.001 0.000 0.220 593 A C 2.040 179.827 177.584 0.339 0.000 1.164 593 A CA 1.156 53.337 52.037 0.241 0.000 0.643 593 A CB -0.661 18.462 19.000 0.206 0.000 0.806 593 A HN 0.583 nan 8.150 nan 0.000 0.451 594 I N -3.063 117.668 120.570 0.269 0.000 3.861 594 I HA 0.154 4.324 4.170 0.001 0.000 0.329 594 I C 0.363 176.554 176.117 0.124 0.000 1.321 594 I CA -0.467 60.934 61.300 0.169 0.000 1.126 594 I CB -0.597 37.480 38.000 0.128 0.000 1.018 594 I HN 0.208 nan 8.210 nan 0.000 0.407 595 N N 3.074 121.890 118.700 0.193 0.000 2.412 595 N HA -0.058 4.683 4.740 0.001 0.000 0.258 595 N C 0.221 175.755 175.510 0.040 0.000 1.236 595 N CA 0.309 53.476 53.050 0.196 0.000 0.882 595 N CB 0.375 38.931 38.487 0.114 0.000 1.066 595 N HN 0.414 nan 8.380 nan 0.000 0.465 596 R N 0.838 121.348 120.500 0.017 0.000 4.000 596 R HA -0.201 4.140 4.340 0.001 0.000 0.362 596 R C -0.245 175.949 176.300 -0.177 0.000 1.183 596 R CA 0.948 57.019 56.100 -0.049 0.000 1.011 596 R CB -0.948 29.334 30.300 -0.030 0.000 1.501 596 R HN 0.609 nan 8.270 nan 0.000 0.553 597 R N 0.520 120.896 120.500 -0.206 0.000 2.635 597 R HA 0.336 4.676 4.340 0.001 0.000 0.393 597 R C -0.366 175.900 176.300 -0.056 0.000 1.070 597 R CA -0.208 55.625 56.100 -0.446 0.000 1.118 597 R CB 0.630 30.627 30.300 -0.505 0.000 1.341 597 R HN 0.045 nan 8.270 nan 0.000 0.628 598 L N -0.214 121.054 121.223 0.075 0.000 2.499 598 L HA 0.162 4.503 4.340 0.001 0.000 0.281 598 L C 1.303 178.398 176.870 0.374 0.000 1.234 598 L CA 1.082 55.986 54.840 0.106 0.000 0.839 598 L CB 0.405 42.286 42.059 -0.297 0.000 1.104 598 L HN 0.697 nan 8.230 nan 0.000 0.500 599 G N 0.800 109.873 108.800 0.454 0.000 2.147 599 G HA2 -0.287 3.674 3.960 0.001 0.000 0.244 599 G HA3 -0.287 3.674 3.960 0.001 0.000 0.244 599 G C 0.461 175.465 174.900 0.173 0.000 1.005 599 G CA 0.602 45.932 45.100 0.382 0.000 0.713 599 G HN 0.876 nan 8.290 nan 0.000 0.515 600 T N -3.852 110.758 114.554 0.094 0.000 3.409 600 T HA 0.448 4.799 4.350 0.001 0.000 0.188 600 T C 1.662 176.378 174.700 0.027 0.000 0.929 600 T CA 0.939 63.006 62.100 -0.055 0.000 1.184 600 T CB -0.010 68.635 68.868 -0.372 0.000 1.570 600 T HN 0.133 nan 8.240 nan 0.000 0.367 601 F N 3.474 123.463 119.950 0.066 0.000 2.171 601 F HA 0.127 4.655 4.527 0.001 0.000 0.300 601 F C 2.769 178.601 175.800 0.054 0.000 1.090 601 F CA 1.034 59.061 58.000 0.044 0.000 1.293 601 F CB -0.681 38.340 39.000 0.035 0.000 1.013 601 F HN 0.499 nan 8.300 nan 0.000 0.486 602 E N 0.643 121.002 120.200 0.266 0.000 2.268 602 E HA -0.107 4.243 4.350 0.001 0.000 0.195 602 E C 2.028 178.738 176.600 0.183 0.000 0.995 602 E CA 1.244 57.770 56.400 0.210 0.000 0.836 602 E CB -0.936 28.888 29.700 0.206 0.000 0.763 602 E HN 0.299 nan 8.360 nan 0.000 0.491 603 V N 1.477 121.480 119.914 0.149 0.000 2.379 603 V HA -0.165 3.956 4.120 0.001 0.000 0.243 603 V C 2.280 178.419 176.094 0.075 0.000 1.035 603 V CA 1.878 64.222 62.300 0.073 0.000 1.035 603 V CB -0.515 31.308 31.823 0.001 0.000 0.673 603 V HN 0.174 nan 8.190 nan 0.000 0.457 604 E N 0.322 120.584 120.200 0.104 0.000 2.085 604 E HA -0.246 4.105 4.350 0.001 0.000 0.194 604 E C 1.908 178.543 176.600 0.059 0.000 0.994 604 E CA 1.604 58.059 56.400 0.091 0.000 0.801 604 E CB -0.190 29.599 29.700 0.148 0.000 0.743 604 E HN 0.567 nan 8.360 nan 0.000 0.453 605 D N 0.292 120.742 120.400 0.083 0.000 2.178 605 D HA -0.136 4.504 4.640 0.001 0.000 0.201 605 D C 1.966 178.293 176.300 0.045 0.000 0.980 605 D CA 0.752 54.785 54.000 0.055 0.000 0.842 605 D CB -0.112 40.751 40.800 0.105 0.000 0.948 605 D HN 0.111 nan 8.370 nan 0.000 0.472 606 Q N 0.150 120.029 119.800 0.131 0.000 2.079 606 Q HA -0.035 4.306 4.340 0.001 0.000 0.200 606 Q C 2.567 178.604 176.000 0.062 0.000 0.974 606 Q CA 0.553 56.436 55.803 0.134 0.000 0.840 606 Q CB -0.166 28.667 28.738 0.158 0.000 0.898 606 Q HN 0.423 nan 8.270 nan 0.000 0.430 607 I N 0.796 121.416 120.570 0.084 0.000 2.226 607 I HA -0.227 3.944 4.170 0.001 0.000 0.245 607 I C 2.394 178.475 176.117 -0.060 0.000 1.100 607 I CA 0.894 62.280 61.300 0.143 0.000 1.374 607 I CB -0.187 37.892 38.000 0.132 0.000 1.057 607 I HN 0.092 nan 8.210 nan 0.000 0.413 608 E N 1.181 121.290 120.200 -0.153 0.000 2.051 608 E HA -0.203 4.148 4.350 0.001 0.000 0.192 608 E C 2.289 178.590 176.600 -0.498 0.000 0.991 608 E CA 1.619 57.860 56.400 -0.266 0.000 0.799 608 E CB -0.257 29.299 29.700 -0.240 0.000 0.748 608 E HN 0.458 nan 8.360 nan 0.000 0.449 609 A N 1.106 123.473 122.820 -0.755 0.000 1.865 609 A HA -0.142 4.179 4.320 0.001 0.000 0.217 609 A C 2.444 179.268 177.584 -1.267 0.000 1.191 609 A CA 2.571 53.820 52.037 -1.314 0.000 0.623 609 A CB -0.860 17.108 19.000 -1.721 0.000 0.826 609 A HN 0.307 nan 8.150 nan 0.000 0.444 610 A N -0.463 122.032 122.820 -0.542 0.000 1.902 610 A HA -0.193 4.128 4.320 0.001 0.000 0.217 610 A C 2.263 179.650 177.584 -0.328 0.000 1.181 610 A CA 1.854 53.761 52.037 -0.217 0.000 0.623 610 A CB -0.549 18.462 19.000 0.019 0.000 0.818 610 A HN 0.571 nan 8.150 nan 0.000 0.443 611 R N -0.510 119.785 120.500 -0.341 0.000 2.091 611 R HA -0.193 4.148 4.340 0.001 0.000 0.238 611 R C 2.320 178.440 176.300 -0.299 0.000 1.136 611 R CA 1.923 57.852 56.100 -0.284 0.000 0.959 611 R CB -0.299 29.865 30.300 -0.227 0.000 0.856 611 R HN 0.690 nan 8.270 nan 0.000 0.437 612 Q N -0.823 118.716 119.800 -0.434 0.000 2.123 612 Q HA -0.129 4.212 4.340 0.001 0.000 0.199 612 Q C 1.878 177.690 176.000 -0.313 0.000 0.966 612 Q CA 1.201 56.765 55.803 -0.399 0.000 0.845 612 Q CB 0.007 28.447 28.738 -0.496 0.000 0.907 612 Q HN 0.326 nan 8.270 nan 0.000 0.439 613 F N 0.691 120.476 119.950 -0.275 0.000 2.234 613 F HA -0.151 4.377 4.527 0.001 0.000 0.299 613 F C 2.732 178.366 175.800 -0.275 0.000 1.087 613 F CA 1.229 59.058 58.000 -0.286 0.000 1.340 613 F CB -1.090 37.770 39.000 -0.232 0.000 1.031 613 F HN 0.065 nan 8.300 nan 0.000 0.500 614 S N 0.023 115.681 115.700 -0.069 0.000 2.419 614 S HA -0.185 4.286 4.470 0.001 0.000 0.233 614 S C 1.762 176.278 174.600 -0.140 0.000 1.016 614 S CA 0.932 59.062 58.200 -0.117 0.000 0.974 614 S CB -0.599 62.513 63.200 -0.146 0.000 0.786 614 S HN 0.412 nan 8.310 nan 0.000 0.492 615 K N 0.252 120.564 120.400 -0.146 0.000 2.486 615 K HA 0.217 4.538 4.320 0.001 0.000 0.194 615 K C 0.320 176.828 176.600 -0.153 0.000 1.033 615 K CA 0.228 56.435 56.287 -0.134 0.000 1.004 615 K CB -0.208 32.219 32.500 -0.121 0.000 0.798 615 K HN 0.483 nan 8.250 nan 0.000 0.495 616 M N -0.310 119.153 119.600 -0.229 0.000 2.242 616 M HA 0.049 4.530 4.480 0.001 0.000 0.344 616 M C 1.550 177.643 176.300 -0.345 0.000 1.140 616 M CA -0.076 55.013 55.300 -0.350 0.000 1.160 616 M CB 1.139 33.329 32.600 -0.684 0.000 1.491 616 M HN 0.117 nan 8.290 nan 0.000 0.459 617 G N 1.816 110.497 108.800 -0.198 0.000 2.470 617 G HA2 -0.181 3.780 3.960 0.001 0.000 0.220 617 G HA3 -0.181 3.780 3.960 0.001 0.000 0.220 617 G C 0.798 175.712 174.900 0.024 0.000 1.121 617 G CA 0.675 45.745 45.100 -0.050 0.000 0.766 617 G HN 0.803 nan 8.290 nan 0.000 0.553 618 F N -0.349 119.672 119.950 0.118 0.000 2.693 618 F HA 0.590 5.118 4.527 0.001 0.000 0.303 618 F C -0.088 175.845 175.800 0.222 0.000 1.097 618 F CA -1.219 56.897 58.000 0.194 0.000 1.330 618 F CB -0.111 39.110 39.000 0.369 0.000 1.067 618 F HN -0.181 nan 8.300 nan 0.000 0.565 619 V N 1.730 121.605 119.914 -0.064 0.000 2.398 619 V HA 0.178 4.299 4.120 0.001 0.000 0.286 619 V C -0.638 175.428 176.094 -0.046 0.000 1.026 619 V CA -0.826 61.459 62.300 -0.024 0.000 0.868 619 V CB 1.438 33.174 31.823 -0.145 0.000 0.982 619 V HN 0.077 nan 8.190 nan 0.000 0.443 620 D N 4.187 124.561 120.400 -0.042 0.000 2.402 620 D HA 0.031 4.672 4.640 0.001 0.000 0.235 620 D C 1.270 177.518 176.300 -0.087 0.000 1.226 620 D CA -0.313 53.639 54.000 -0.080 0.000 0.918 620 D CB 0.509 41.240 40.800 -0.114 0.000 1.043 620 D HN 0.640 nan 8.370 nan 0.000 0.506 621 N N 3.320 121.970 118.700 -0.083 0.000 2.588 621 N HA -0.199 4.541 4.740 0.001 0.000 0.190 621 N C 0.714 176.180 175.510 -0.073 0.000 1.094 621 N CA 0.954 53.951 53.050 -0.088 0.000 0.921 621 N CB -0.111 38.319 38.487 -0.096 0.000 0.959 621 N HN 0.373 nan 8.380 nan 0.000 0.448 622 K N -0.546 119.819 120.400 -0.059 0.000 2.379 622 K HA 0.184 4.505 4.320 0.001 0.000 0.194 622 K C 0.179 176.779 176.600 0.001 0.000 1.031 622 K CA 0.203 56.472 56.287 -0.030 0.000 1.037 622 K CB 0.434 32.917 32.500 -0.028 0.000 0.824 622 K HN 0.134 nan 8.250 nan 0.000 0.516 623 R N 1.310 121.786 120.500 -0.040 0.000 2.651 623 R HA 0.362 4.703 4.340 0.001 0.000 0.282 623 R C -1.035 175.268 176.300 0.006 0.000 1.565 623 R CA -0.123 55.961 56.100 -0.026 0.000 1.661 623 R CB 0.615 30.725 30.300 -0.316 0.000 1.189 623 R HN -0.005 nan 8.270 nan 0.000 0.621 624 I N 1.300 121.981 120.570 0.185 0.000 2.418 624 I HA 0.522 4.693 4.170 0.001 0.000 0.287 624 I C -0.062 176.330 176.117 0.458 0.000 1.008 624 I CA -0.697 60.745 61.300 0.236 0.000 1.104 624 I CB 1.945 39.937 38.000 -0.014 0.000 1.264 624 I HN 0.364 nan 8.210 nan 0.000 0.438 625 A N 6.997 130.179 122.820 0.603 0.000 2.344 625 A HA 0.937 5.258 4.320 0.001 0.000 0.307 625 A C -1.090 176.838 177.584 0.574 0.000 1.151 625 A CA -0.662 51.705 52.037 0.550 0.000 0.842 625 A CB 2.039 21.236 19.000 0.330 0.000 1.350 625 A HN 0.720 nan 8.150 nan 0.000 0.459 626 I N -0.070 120.755 120.570 0.425 0.000 2.827 626 I HA 0.692 4.863 4.170 0.001 0.000 0.298 626 I C -2.041 174.321 176.117 0.409 0.000 1.235 626 I CA -0.555 60.931 61.300 0.310 0.000 1.021 626 I CB 1.776 39.700 38.000 -0.126 0.000 1.259 626 I HN 0.945 nan 8.210 nan 0.000 0.427 627 W N 6.964 128.387 121.300 0.204 0.000 3.213 627 W HA 0.819 5.480 4.660 0.001 0.000 0.318 627 W C -1.559 175.110 176.519 0.250 0.000 1.248 627 W CA -0.840 56.641 57.345 0.228 0.000 1.187 627 W CB 1.059 30.711 29.460 0.320 0.000 1.403 627 W HN 0.841 nan 8.180 nan 0.000 0.556 628 G N 1.132 109.871 108.800 -0.102 0.000 2.623 628 G HA2 0.526 4.487 3.960 0.001 0.000 0.290 628 G HA3 0.526 4.487 3.960 0.001 0.000 0.290 628 G C -2.839 172.018 174.900 -0.072 0.000 1.437 628 G CA -0.690 44.215 45.100 -0.324 0.000 0.798 628 G HN 0.609 nan 8.290 nan 0.000 0.488 629 W N 0.831 122.016 121.300 -0.191 0.000 2.785 629 W HA 0.605 5.265 4.660 0.001 0.000 0.333 629 W C 0.711 177.270 176.519 0.067 0.000 1.062 629 W CA 0.283 57.602 57.345 -0.045 0.000 1.233 629 W CB 1.882 31.320 29.460 -0.038 0.000 1.413 629 W HN 1.268 nan 8.180 nan 0.000 0.489 630 S N 2.657 118.608 115.700 0.418 0.000 4.116 630 S HA -0.430 4.041 4.470 0.001 0.000 0.623 630 S C 1.131 175.835 174.600 0.175 0.000 1.933 630 S CA 1.820 60.278 58.200 0.430 0.000 4.224 630 S CB -1.824 61.816 63.200 0.734 0.000 0.208 630 S HN 0.757 nan 8.310 nan 0.000 0.527 631 Y N 2.371 122.654 120.300 -0.030 0.000 2.207 631 Y HA 0.003 4.554 4.550 0.001 0.000 0.287 631 Y C 2.395 178.188 175.900 -0.179 0.000 1.156 631 Y CA 2.621 60.592 58.100 -0.214 0.000 1.182 631 Y CB -1.047 37.072 38.460 -0.569 0.000 0.979 631 Y HN 0.541 nan 8.280 nan 0.000 0.521 632 G N -1.185 107.596 108.800 -0.031 0.000 2.471 632 G HA2 -0.189 3.772 3.960 0.001 0.000 0.219 632 G HA3 -0.189 3.772 3.960 0.001 0.000 0.219 632 G C 1.876 176.805 174.900 0.048 0.000 1.125 632 G CA 0.700 45.830 45.100 0.050 0.000 0.775 632 G HN 0.578 nan 8.290 nan 0.000 0.548 633 G N -0.250 108.586 108.800 0.061 0.000 2.403 633 G HA2 -0.168 3.793 3.960 0.001 0.000 0.216 633 G HA3 -0.168 3.793 3.960 0.001 0.000 0.216 633 G C 1.540 176.465 174.900 0.042 0.000 1.154 633 G CA 0.963 46.086 45.100 0.039 0.000 0.784 633 G HN 0.399 nan 8.290 nan 0.000 0.538 634 Y N 1.468 121.675 120.300 -0.155 0.000 2.089 634 Y HA -0.116 4.435 4.550 0.001 0.000 0.282 634 Y C 2.774 178.595 175.900 -0.133 0.000 1.139 634 Y CA 1.615 59.577 58.100 -0.229 0.000 1.123 634 Y CB -0.554 37.616 38.460 -0.484 0.000 0.980 634 Y HN 0.015 nan 8.280 nan 0.000 0.493 635 V N -0.143 119.646 119.914 -0.208 0.000 2.287 635 V HA -0.357 3.764 4.120 0.001 0.000 0.248 635 V C 2.349 178.334 176.094 -0.182 0.000 1.053 635 V CA 2.495 64.671 62.300 -0.206 0.000 1.027 635 V CB -1.264 30.590 31.823 0.051 0.000 0.646 635 V HN 0.509 nan 8.190 nan 0.000 0.447 636 T N -0.270 114.230 114.554 -0.090 0.000 2.684 636 T HA -0.206 4.145 4.350 0.001 0.000 0.267 636 T C 2.140 176.788 174.700 -0.087 0.000 1.036 636 T CA 2.043 64.099 62.100 -0.072 0.000 1.148 636 T CB -0.268 68.632 68.868 0.054 0.000 0.863 636 T HN 0.516 nan 8.240 nan 0.000 0.436 637 S N 0.823 116.508 115.700 -0.026 0.000 2.368 637 S HA 0.021 4.491 4.470 0.001 0.000 0.224 637 S C 2.098 176.628 174.600 -0.117 0.000 1.029 637 S CA 0.853 59.072 58.200 0.033 0.000 0.988 637 S CB -0.230 63.035 63.200 0.108 0.000 0.838 637 S HN 0.329 nan 8.310 nan 0.000 0.462 638 M N 0.788 120.223 119.600 -0.274 0.000 2.229 638 M HA 0.010 4.491 4.480 0.001 0.000 0.264 638 M C 2.107 178.257 176.300 -0.250 0.000 1.063 638 M CA 0.920 56.041 55.300 -0.299 0.000 1.114 638 M CB -1.214 31.098 32.600 -0.480 0.000 1.387 638 M HN 0.176 nan 8.290 nan 0.000 0.420 639 V N 0.556 120.308 119.914 -0.270 0.000 2.323 639 V HA -0.213 3.907 4.120 0.001 0.000 0.244 639 V C 2.463 178.354 176.094 -0.338 0.000 1.041 639 V CA 1.256 63.388 62.300 -0.280 0.000 1.025 639 V CB -0.539 31.041 31.823 -0.405 0.000 0.656 639 V HN 0.385 nan 8.190 nan 0.000 0.451 640 L N 0.459 121.410 121.223 -0.453 0.000 2.191 640 L HA -0.079 4.262 4.340 0.001 0.000 0.212 640 L C 2.145 178.449 176.870 -0.943 0.000 1.103 640 L CA 1.548 56.005 54.840 -0.638 0.000 0.769 640 L CB -0.720 40.894 42.059 -0.742 0.000 0.908 640 L HN 0.494 nan 8.230 nan 0.000 0.438 641 G N -1.429 106.855 108.800 -0.859 0.000 3.371 641 G HA2 -0.009 3.952 3.960 0.001 0.000 0.248 641 G HA3 -0.009 3.952 3.960 0.001 0.000 0.248 641 G C 1.421 176.178 174.900 -0.237 0.000 1.161 641 G CA 0.540 45.286 45.100 -0.591 0.000 0.796 641 G HN 0.418 nan 8.290 nan 0.000 0.539 642 S N -0.822 114.752 115.700 -0.209 0.000 2.470 642 S HA 0.303 4.774 4.470 0.001 0.000 0.225 642 S C 1.964 176.527 174.600 -0.062 0.000 1.006 642 S CA 1.063 59.203 58.200 -0.100 0.000 0.934 642 S CB -0.056 63.103 63.200 -0.068 0.000 0.778 642 S HN 1.353 nan 8.310 nan 0.000 0.517 643 G N 1.324 110.078 108.800 -0.076 0.000 2.143 643 G HA2 -0.346 3.615 3.960 0.001 0.000 0.249 643 G HA3 -0.346 3.615 3.960 0.001 0.000 0.249 643 G C 1.020 175.912 174.900 -0.014 0.000 0.981 643 G CA 0.967 46.043 45.100 -0.040 0.000 0.665 643 G HN 1.299 nan 8.290 nan 0.000 0.528 644 S N -0.373 115.331 115.700 0.006 0.000 2.419 644 S HA 0.269 4.740 4.470 0.001 0.000 0.233 644 S C 2.674 177.276 174.600 0.004 0.000 1.016 644 S CA 1.859 60.072 58.200 0.022 0.000 0.974 644 S CB -0.344 62.902 63.200 0.077 0.000 0.786 644 S HN 2.455 nan 8.310 nan 0.000 0.492 645 G N -0.037 108.772 108.800 0.015 0.000 2.212 645 G HA2 -0.321 3.640 3.960 0.001 0.000 0.266 645 G HA3 -0.321 3.640 3.960 0.001 0.000 0.266 645 G C 0.868 175.740 174.900 -0.047 0.000 0.978 645 G CA 0.486 45.582 45.100 -0.006 0.000 0.632 645 G HN 0.767 nan 8.290 nan 0.000 0.537 646 V N -0.163 119.687 119.914 -0.107 0.000 2.427 646 V HA 0.190 4.310 4.120 0.001 0.000 0.248 646 V C 1.361 177.160 176.094 -0.491 0.000 1.051 646 V CA 1.640 63.724 62.300 -0.360 0.000 1.048 646 V CB -0.456 31.000 31.823 -0.612 0.000 0.666 646 V HN 0.323 nan 8.190 nan 0.000 0.456 647 F N -0.093 119.869 119.950 0.020 0.000 2.404 647 F HA 0.385 4.912 4.527 0.001 0.000 0.339 647 F C 1.145 176.987 175.800 0.070 0.000 1.105 647 F CA -0.461 57.576 58.000 0.062 0.000 1.087 647 F CB 1.289 40.325 39.000 0.061 0.000 1.143 647 F HN -0.252 nan 8.300 nan 0.000 0.491 648 K N 1.457 122.012 120.400 0.259 0.000 2.166 648 K HA 0.130 4.450 4.320 0.001 0.000 0.201 648 K C -0.153 176.577 176.600 0.217 0.000 1.052 648 K CA 0.818 57.223 56.287 0.198 0.000 0.969 648 K CB 0.280 32.894 32.500 0.191 0.000 0.761 648 K HN 0.809 nan 8.250 nan 0.000 0.459 649 c N -2.809 115.958 118.600 0.279 0.000 3.321 649 c HA 0.896 5.466 4.570 0.001 0.000 0.329 649 c C -0.272 174.042 174.090 0.373 0.000 1.394 649 c CA -0.605 55.913 56.329 0.315 0.000 1.291 649 c CB 1.095 43.735 42.510 0.217 0.000 1.606 649 c HN 0.336 nan 8.230 nan 0.000 0.463 650 G N -0.048 109.032 108.800 0.466 0.000 2.673 650 G HA2 0.711 4.672 3.960 0.001 0.000 0.292 650 G HA3 0.711 4.672 3.960 0.001 0.000 0.292 650 G C -1.986 173.135 174.900 0.368 0.000 1.450 650 G CA -0.683 44.658 45.100 0.402 0.000 0.837 650 G HN 1.016 nan 8.290 nan 0.000 0.505 651 I N 0.600 121.358 120.570 0.314 0.000 2.498 651 I HA 0.632 4.803 4.170 0.001 0.000 0.290 651 I C 0.067 176.302 176.117 0.197 0.000 1.032 651 I CA -1.032 60.343 61.300 0.126 0.000 1.073 651 I CB 2.303 40.362 38.000 0.099 0.000 1.251 651 I HN 0.665 nan 8.210 nan 0.000 0.426 652 A N 6.406 129.227 122.820 0.001 0.000 2.291 652 A HA 0.767 5.088 4.320 0.001 0.000 0.311 652 A C -0.813 176.673 177.584 -0.164 0.000 1.224 652 A CA -0.507 51.534 52.037 0.006 0.000 0.821 652 A CB 1.157 20.215 19.000 0.098 0.000 1.172 652 A HN 0.435 nan 8.150 nan 0.000 0.494 653 V N 2.124 121.892 119.914 -0.243 0.000 2.370 653 V HA 0.570 4.691 4.120 0.001 0.000 0.283 653 V C 0.973 176.661 176.094 -0.676 0.000 1.023 653 V CA 0.288 62.218 62.300 -0.617 0.000 0.857 653 V CB 0.808 31.933 31.823 -1.163 0.000 0.985 653 V HN 2.084 nan 8.190 nan 0.000 0.443 654 A N 5.679 128.078 122.820 -0.702 0.000 2.415 654 A HA -0.109 4.212 4.320 0.001 0.000 0.292 654 A C -1.676 175.751 177.584 -0.261 0.000 1.452 654 A CA 0.511 52.018 52.037 -0.884 0.000 0.750 654 A CB -1.535 17.050 19.000 -0.692 0.000 1.099 654 A HN 0.628 nan 8.150 nan 0.000 0.391 655 P HA 0.448 nan 4.420 nan 0.000 0.278 655 P C 0.048 177.317 177.300 -0.052 0.000 1.258 655 P CA -0.327 62.753 63.100 -0.034 0.000 0.811 655 P CB 1.295 32.997 31.700 0.003 0.000 1.063 656 V N 1.702 121.490 119.914 -0.209 0.000 2.546 656 V HA 0.101 4.222 4.120 0.001 0.000 0.284 656 V C 1.686 177.586 176.094 -0.323 0.000 1.050 656 V CA 0.708 62.730 62.300 -0.463 0.000 0.981 656 V CB 0.892 32.035 31.823 -1.134 0.000 0.990 656 V HN 0.815 nan 8.190 nan 0.000 0.474 657 S N 4.268 119.819 115.700 -0.248 0.000 2.564 657 S HA 0.226 4.696 4.470 0.001 0.000 0.231 657 S C 0.508 174.957 174.600 -0.252 0.000 1.067 657 S CA -0.349 57.777 58.200 -0.123 0.000 0.908 657 S CB 0.278 63.468 63.200 -0.016 0.000 0.809 657 S HN 0.826 nan 8.310 nan 0.000 0.491 658 R N -1.215 119.011 120.500 -0.457 0.000 2.535 658 R HA 0.463 4.803 4.340 0.001 0.000 0.274 658 R C -0.887 175.048 176.300 -0.609 0.000 1.090 658 R CA -0.871 54.889 56.100 -0.566 0.000 0.930 658 R CB -0.181 29.760 30.300 -0.599 0.000 1.223 658 R HN 0.121 nan 8.270 nan 0.000 0.441 659 W N 1.538 122.721 121.300 -0.195 0.000 2.341 659 W HA -0.088 4.573 4.660 0.001 0.000 0.283 659 W C 1.167 177.780 176.519 0.157 0.000 1.215 659 W CA 1.095 58.408 57.345 -0.053 0.000 1.211 659 W CB 0.163 29.507 29.460 -0.194 0.000 1.131 659 W HN 0.733 nan 8.180 nan 0.000 0.552 660 E N -1.104 119.235 120.200 0.231 0.000 2.409 660 E HA -0.185 4.166 4.350 0.001 0.000 0.198 660 E C 1.199 177.915 176.600 0.194 0.000 1.024 660 E CA 0.719 57.219 56.400 0.168 0.000 0.861 660 E CB -0.196 29.494 29.700 -0.017 0.000 0.788 660 E HN 0.382 nan 8.360 nan 0.000 0.521 661 Y N -1.619 118.759 120.300 0.130 0.000 2.510 661 Y HA 0.067 4.618 4.550 0.001 0.000 0.273 661 Y C 0.591 176.572 175.900 0.136 0.000 1.119 661 Y CA -0.265 57.882 58.100 0.078 0.000 1.286 661 Y CB -0.295 38.154 38.460 -0.018 0.000 1.061 661 Y HN 0.006 nan 8.280 nan 0.000 0.542 662 Y N 1.982 122.417 120.300 0.225 0.000 2.374 662 Y HA 0.282 4.832 4.550 0.001 0.000 0.322 662 Y C 0.383 176.470 175.900 0.311 0.000 1.275 662 Y CA -2.139 56.102 58.100 0.235 0.000 1.307 662 Y CB 0.377 38.998 38.460 0.268 0.000 1.282 662 Y HN 0.206 nan 8.280 nan 0.000 0.509 663 D N -0.416 119.591 120.400 -0.656 0.000 2.378 663 D HA 0.059 4.699 4.640 0.001 0.000 0.238 663 D C 0.972 177.233 176.300 -0.065 0.000 1.180 663 D CA 0.458 54.203 54.000 -0.425 0.000 0.895 663 D CB 0.780 41.109 40.800 -0.785 0.000 1.192 663 D HN 0.484 nan 8.370 nan 0.000 0.438 664 S N 1.011 116.688 115.700 -0.039 0.000 2.348 664 S HA -0.225 4.246 4.470 0.001 0.000 0.221 664 S C 1.964 176.594 174.600 0.050 0.000 1.033 664 S CA 1.186 59.424 58.200 0.063 0.000 1.010 664 S CB -1.054 62.192 63.200 0.078 0.000 0.891 664 S HN 0.442 nan 8.310 nan 0.000 0.442 665 V N 0.829 120.711 119.914 -0.053 0.000 2.287 665 V HA -0.189 3.932 4.120 0.001 0.000 0.248 665 V C 2.335 178.352 176.094 -0.128 0.000 1.053 665 V CA 2.312 64.487 62.300 -0.208 0.000 1.027 665 V CB -1.093 30.455 31.823 -0.458 0.000 0.646 665 V HN 0.631 nan 8.190 nan 0.000 0.447 666 Y N 1.180 121.426 120.300 -0.091 0.000 2.206 666 Y HA -0.147 4.403 4.550 0.001 0.000 0.292 666 Y C 2.676 178.581 175.900 0.009 0.000 1.123 666 Y CA 2.041 60.154 58.100 0.021 0.000 1.142 666 Y CB -0.535 38.141 38.460 0.359 0.000 1.006 666 Y HN 0.214 nan 8.280 nan 0.000 0.518 667 T N 0.563 115.376 114.554 0.430 0.000 2.674 667 T HA -0.190 4.160 4.350 0.001 0.000 0.265 667 T C 1.546 176.243 174.700 -0.004 0.000 1.039 667 T CA 1.951 64.224 62.100 0.289 0.000 1.150 667 T CB -0.319 68.848 68.868 0.498 0.000 0.864 667 T HN 0.443 nan 8.240 nan 0.000 0.427 668 E N 0.735 120.956 120.200 0.036 0.000 2.204 668 E HA -0.127 4.223 4.350 0.001 0.000 0.195 668 E C 2.346 178.845 176.600 -0.168 0.000 0.990 668 E CA 0.511 56.920 56.400 0.014 0.000 0.821 668 E CB -0.157 29.592 29.700 0.081 0.000 0.750 668 E HN 0.371 nan 8.360 nan 0.000 0.477 669 R N 0.373 120.622 120.500 -0.419 0.000 2.091 669 R HA -0.194 4.147 4.340 0.001 0.000 0.238 669 R C 1.300 177.116 176.300 -0.806 0.000 1.136 669 R CA 1.613 57.284 56.100 -0.715 0.000 0.959 669 R CB -0.039 29.497 30.300 -1.274 0.000 0.856 669 R HN 0.236 nan 8.270 nan 0.000 0.437 670 Y N -1.738 118.255 120.300 -0.512 0.000 2.507 670 Y HA 0.226 4.777 4.550 0.001 0.000 0.263 670 Y C 1.643 177.358 175.900 -0.307 0.000 1.093 670 Y CA 0.110 57.897 58.100 -0.522 0.000 1.285 670 Y CB 0.487 38.496 38.460 -0.751 0.000 1.115 670 Y HN -0.034 nan 8.280 nan 0.000 0.533 671 M N -0.347 119.157 119.600 -0.161 0.000 2.306 671 M HA 0.368 4.849 4.480 0.001 0.000 0.292 671 M C 0.943 177.280 176.300 0.061 0.000 1.018 671 M CA 0.590 55.803 55.300 -0.146 0.000 1.007 671 M CB -0.171 32.142 32.600 -0.479 0.000 1.510 671 M HN 0.308 nan 8.290 nan 0.000 0.537 672 G N 2.069 110.912 108.800 0.071 0.000 2.692 672 G HA2 -0.250 3.710 3.960 0.001 0.000 0.248 672 G HA3 -0.250 3.710 3.960 0.001 0.000 0.248 672 G C -0.476 174.567 174.900 0.238 0.000 1.340 672 G CA -0.717 44.459 45.100 0.128 0.000 0.896 672 G HN 0.373 nan 8.290 nan 0.000 0.570 673 L N 1.799 123.121 121.223 0.165 0.000 2.375 673 L HA 0.425 4.766 4.340 0.001 0.000 0.271 673 L C -1.320 175.547 176.870 -0.005 0.000 1.107 673 L CA -1.697 53.196 54.840 0.087 0.000 0.806 673 L CB 1.750 43.825 42.059 0.027 0.000 1.146 673 L HN 0.467 nan 8.230 nan 0.000 0.447 674 P HA 0.079 nan 4.420 nan 0.000 0.212 674 P C -0.597 176.539 177.300 -0.274 0.000 1.816 674 P CA -0.137 62.538 63.100 -0.708 0.000 0.944 674 P CB -0.324 30.599 31.700 -1.295 0.000 1.896 675 T N -2.998 111.488 114.554 -0.113 0.000 2.908 675 T HA 0.455 4.805 4.350 0.001 0.000 0.290 675 T C -1.956 172.738 174.700 -0.011 0.000 1.034 675 T CA -2.431 59.636 62.100 -0.054 0.000 1.010 675 T CB 2.039 70.887 68.868 -0.033 0.000 1.068 675 T HN -0.211 nan 8.240 nan 0.000 0.481 676 P HA -0.103 nan 4.420 nan 0.000 0.218 676 P C 0.751 178.063 177.300 0.021 0.000 1.148 676 P CA 1.225 64.334 63.100 0.015 0.000 0.822 676 P CB 0.172 31.878 31.700 0.009 0.000 0.784 677 E N -0.673 119.535 120.200 0.014 0.000 2.274 677 E HA -0.099 4.252 4.350 0.001 0.000 0.194 677 E C 1.638 178.253 176.600 0.026 0.000 0.996 677 E CA 0.863 57.273 56.400 0.016 0.000 0.840 677 E CB -0.439 29.266 29.700 0.009 0.000 0.772 677 E HN 0.348 nan 8.360 nan 0.000 0.491 678 D N -0.657 119.764 120.400 0.035 0.000 2.931 678 D HA 0.057 4.698 4.640 0.001 0.000 0.241 678 D C 0.309 176.663 176.300 0.090 0.000 1.494 678 D CA 0.270 54.304 54.000 0.056 0.000 1.260 678 D CB 0.071 40.906 40.800 0.057 0.000 0.953 678 D HN -0.007 nan 8.370 nan 0.000 0.240 679 N N -0.055 118.731 118.700 0.144 0.000 2.377 679 N HA 0.076 4.817 4.740 0.001 0.000 0.259 679 N C 0.932 176.641 175.510 0.332 0.000 1.332 679 N CA -0.082 53.104 53.050 0.226 0.000 0.877 679 N CB 0.171 38.813 38.487 0.258 0.000 1.299 679 N HN 0.067 nan 8.380 nan 0.000 0.501 680 L N 0.516 121.850 121.223 0.185 0.000 2.043 680 L HA -0.099 4.242 4.340 0.001 0.000 0.212 680 L C 1.168 178.146 176.870 0.180 0.000 1.075 680 L CA 2.009 56.931 54.840 0.137 0.000 0.752 680 L CB -0.446 41.624 42.059 0.017 0.000 0.891 680 L HN 0.156 nan 8.230 nan 0.000 0.432 681 D N -1.506 118.980 120.400 0.144 0.000 2.149 681 D HA -0.255 4.386 4.640 0.001 0.000 0.198 681 D C 2.040 178.435 176.300 0.160 0.000 0.990 681 D CA 1.697 55.773 54.000 0.126 0.000 0.839 681 D CB -0.188 40.674 40.800 0.103 0.000 0.948 681 D HN 0.585 nan 8.370 nan 0.000 0.460 682 H N -1.022 118.116 119.070 0.114 0.000 2.502 682 H HA -0.024 4.533 4.556 0.001 0.000 0.283 682 H C 1.587 176.979 175.328 0.105 0.000 1.015 682 H CA 0.985 57.077 56.048 0.074 0.000 1.298 682 H CB -0.230 29.541 29.762 0.014 0.000 1.411 682 H HN 0.142 nan 8.280 nan 0.000 0.556 683 Y N 0.068 120.332 120.300 -0.060 0.000 2.242 683 Y HA -0.111 4.440 4.550 0.001 0.000 0.291 683 Y C 2.244 178.098 175.900 -0.077 0.000 1.137 683 Y CA 1.138 59.209 58.100 -0.048 0.000 1.181 683 Y CB 0.228 38.700 38.460 0.019 0.000 0.989 683 Y HN 0.106 nan 8.280 nan 0.000 0.527 684 R N 0.264 120.830 120.500 0.110 0.000 2.153 684 R HA -0.030 4.310 4.340 0.001 0.000 0.218 684 R C 0.724 177.022 176.300 -0.002 0.000 1.072 684 R CA 1.244 57.368 56.100 0.040 0.000 0.990 684 R CB -0.834 29.491 30.300 0.043 0.000 0.889 684 R HN 0.550 nan 8.270 nan 0.000 0.452 685 N N -0.594 118.092 118.700 -0.024 0.000 2.273 685 N HA -0.035 4.705 4.740 0.001 0.000 0.231 685 N C 0.084 175.565 175.510 -0.049 0.000 1.134 685 N CA -0.021 53.019 53.050 -0.016 0.000 0.856 685 N CB 0.519 39.022 38.487 0.027 0.000 1.068 685 N HN -0.075 nan 8.380 nan 0.000 0.510 686 S N -1.735 113.895 115.700 -0.117 0.000 2.588 686 S HA 0.137 4.607 4.470 0.001 0.000 0.245 686 S C 0.365 175.012 174.600 0.077 0.000 1.021 686 S CA -0.528 57.643 58.200 -0.048 0.000 1.006 686 S CB -0.943 62.119 63.200 -0.231 0.000 0.830 686 S HN 0.322 nan 8.310 nan 0.000 0.468 687 T N -1.570 112.989 114.554 0.008 0.000 2.918 687 T HA 0.555 4.906 4.350 0.001 0.000 0.283 687 T C 1.300 176.001 174.700 0.002 0.000 1.001 687 T CA -0.613 61.480 62.100 -0.012 0.000 1.041 687 T CB 1.365 70.194 68.868 -0.066 0.000 1.028 687 T HN -0.045 nan 8.240 nan 0.000 0.511 688 V N 1.562 121.473 119.914 -0.005 0.000 2.379 688 V HA -0.108 4.012 4.120 0.001 0.000 0.245 688 V C 2.669 178.740 176.094 -0.038 0.000 1.044 688 V CA 1.543 63.830 62.300 -0.022 0.000 1.036 688 V CB -0.972 30.830 31.823 -0.034 0.000 0.664 688 V HN 0.812 nan 8.190 nan 0.000 0.453 689 M N 1.407 120.970 119.600 -0.062 0.000 2.089 689 M HA -0.208 4.272 4.480 0.001 0.000 0.257 689 M C 2.381 178.657 176.300 -0.041 0.000 1.071 689 M CA 2.369 57.626 55.300 -0.072 0.000 1.096 689 M CB -1.089 31.480 32.600 -0.052 0.000 1.330 689 M HN 0.542 nan 8.290 nan 0.000 0.403 690 S N -0.346 115.341 115.700 -0.021 0.000 2.500 690 S HA -0.114 4.356 4.470 0.001 0.000 0.239 690 S C 1.753 176.360 174.600 0.012 0.000 0.989 690 S CA 0.879 59.076 58.200 -0.005 0.000 0.951 690 S CB -0.485 62.714 63.200 -0.002 0.000 0.759 690 S HN 0.564 nan 8.310 nan 0.000 0.523 691 R N 0.236 120.753 120.500 0.028 0.000 2.393 691 R HA 0.458 4.799 4.340 0.001 0.000 0.244 691 R C 2.250 178.641 176.300 0.152 0.000 0.920 691 R CA 0.404 56.549 56.100 0.074 0.000 1.076 691 R CB -0.237 30.110 30.300 0.079 0.000 1.119 691 R HN 0.458 nan 8.270 nan 0.000 0.524 692 A N 1.867 124.723 122.820 0.059 0.000 1.894 692 A HA -0.341 3.980 4.320 0.001 0.000 0.220 692 A C 1.993 179.658 177.584 0.136 0.000 1.237 692 A CA 2.162 54.203 52.037 0.007 0.000 0.660 692 A CB -0.455 18.497 19.000 -0.079 0.000 0.835 692 A HN 0.307 nan 8.150 nan 0.000 0.461 693 E N 0.188 120.441 120.200 0.090 0.000 2.114 693 E HA -0.212 4.139 4.350 0.001 0.000 0.199 693 E C 1.606 178.270 176.600 0.107 0.000 1.008 693 E CA 1.712 58.163 56.400 0.085 0.000 0.810 693 E CB -0.239 29.493 29.700 0.052 0.000 0.739 693 E HN 0.639 nan 8.360 nan 0.000 0.456 694 N N -0.643 118.121 118.700 0.107 0.000 2.573 694 N HA -0.103 4.638 4.740 0.001 0.000 0.187 694 N C 0.673 176.183 175.510 0.000 0.000 1.107 694 N CA 0.513 53.583 53.050 0.033 0.000 0.918 694 N CB -0.127 38.337 38.487 -0.038 0.000 0.966 694 N HN 0.252 nan 8.380 nan 0.000 0.448 695 F N 1.179 121.093 119.950 -0.061 0.000 2.811 695 F HA 0.102 4.630 4.527 0.001 0.000 0.301 695 F C 1.947 177.754 175.800 0.012 0.000 1.151 695 F CA 0.282 58.242 58.000 -0.067 0.000 1.412 695 F CB 0.257 39.171 39.000 -0.143 0.000 1.113 695 F HN -0.088 nan 8.300 nan 0.000 0.579 696 K N 0.042 120.544 120.400 0.169 0.000 2.152 696 K HA -0.176 4.145 4.320 0.001 0.000 0.206 696 K C 1.328 177.993 176.600 0.107 0.000 1.048 696 K CA 1.103 57.470 56.287 0.134 0.000 0.933 696 K CB -0.141 32.416 32.500 0.095 0.000 0.721 696 K HN 0.375 nan 8.250 nan 0.000 0.447 697 Q N 0.662 120.506 119.800 0.073 0.000 2.222 697 Q HA 0.064 4.405 4.340 0.001 0.000 0.206 697 Q C -0.291 175.754 176.000 0.074 0.000 0.877 697 Q CA -0.061 55.779 55.803 0.062 0.000 0.958 697 Q CB 0.694 29.453 28.738 0.035 0.000 1.075 697 Q HN 0.115 nan 8.270 nan 0.000 0.483 698 V N -3.521 116.455 119.914 0.103 0.000 3.078 698 V HA 0.515 4.636 4.120 0.001 0.000 0.311 698 V C -1.077 175.162 176.094 0.241 0.000 1.138 698 V CA -1.263 61.120 62.300 0.139 0.000 1.007 698 V CB 2.408 34.270 31.823 0.066 0.000 1.045 698 V HN -0.014 nan 8.190 nan 0.000 0.432 699 E N 1.587 121.961 120.200 0.290 0.000 2.174 699 E HA 0.506 4.857 4.350 0.001 0.000 0.282 699 E C -1.881 175.091 176.600 0.621 0.000 0.992 699 E CA -0.404 56.246 56.400 0.416 0.000 0.803 699 E CB 1.830 31.711 29.700 0.303 0.000 1.090 699 E HN 0.704 nan 8.360 nan 0.000 0.396 700 Y N 3.487 124.054 120.300 0.445 0.000 2.425 700 Y HA 0.464 5.014 4.550 0.001 0.000 0.344 700 Y C -1.779 174.199 175.900 0.130 0.000 0.969 700 Y CA -1.426 56.868 58.100 0.323 0.000 1.052 700 Y CB 1.083 39.778 38.460 0.393 0.000 1.215 700 Y HN 0.415 nan 8.280 nan 0.000 0.451 701 L N 7.732 128.672 121.223 -0.473 0.000 2.349 701 L HA 0.626 4.967 4.340 0.001 0.000 0.278 701 L C -2.199 174.211 176.870 -0.767 0.000 0.996 701 L CA -0.843 53.579 54.840 -0.697 0.000 0.825 701 L CB 1.372 42.703 42.059 -1.213 0.000 1.243 701 L HN 0.655 nan 8.230 nan 0.000 0.412 702 L N 6.628 127.492 121.223 -0.598 0.000 2.305 702 L HA 0.713 5.054 4.340 0.001 0.000 0.284 702 L C -1.171 175.567 176.870 -0.220 0.000 1.013 702 L CA -0.003 54.523 54.840 -0.524 0.000 0.819 702 L CB 1.155 42.904 42.059 -0.517 0.000 1.227 702 L HN 0.604 nan 8.230 nan 0.000 0.417 703 I N 4.356 124.810 120.570 -0.194 0.000 2.689 703 I HA 0.517 4.688 4.170 0.001 0.000 0.299 703 I C -1.139 174.970 176.117 -0.014 0.000 1.059 703 I CA -0.771 60.476 61.300 -0.089 0.000 1.055 703 I CB 2.142 40.057 38.000 -0.142 0.000 1.243 703 I HN 0.694 nan 8.210 nan 0.000 0.425 704 H N 1.732 120.843 119.070 0.069 0.000 3.140 704 H HA 0.425 4.982 4.556 0.001 0.000 0.336 704 H C -0.547 175.007 175.328 0.375 0.000 1.142 704 H CA -0.618 55.525 56.048 0.157 0.000 1.308 704 H CB 1.825 31.633 29.762 0.078 0.000 1.970 704 H HN 0.771 nan 8.280 nan 0.000 0.521 705 G N 0.971 110.124 108.800 0.589 0.000 2.372 705 G HA2 0.244 4.205 3.960 0.001 0.000 0.283 705 G HA3 0.244 4.205 3.960 0.001 0.000 0.283 705 G C 1.154 176.326 174.900 0.453 0.000 1.177 705 G CA 0.123 45.514 45.100 0.484 0.000 0.842 705 G HN 0.736 nan 8.290 nan 0.000 0.503 706 T N -0.680 113.987 114.554 0.189 0.000 2.962 706 T HA 0.055 4.406 4.350 0.001 0.000 0.270 706 T C 1.715 176.401 174.700 -0.024 0.000 1.088 706 T CA 1.298 63.331 62.100 -0.112 0.000 1.127 706 T CB 0.139 68.873 68.868 -0.223 0.000 0.883 706 T HN 0.678 nan 8.240 nan 0.000 0.493 707 A N 1.018 123.895 122.820 0.096 0.000 2.577 707 A HA 0.301 4.622 4.320 0.001 0.000 0.280 707 A C 0.420 177.981 177.584 -0.039 0.000 1.331 707 A CA -0.509 51.569 52.037 0.069 0.000 0.935 707 A CB -0.311 18.971 19.000 0.470 0.000 1.082 707 A HN 0.384 nan 8.150 nan 0.000 0.525 708 D N 1.533 121.934 120.400 0.001 0.000 2.346 708 D HA -0.009 4.632 4.640 0.001 0.000 0.260 708 D C 0.305 176.575 176.300 -0.050 0.000 1.252 708 D CA 0.189 54.284 54.000 0.158 0.000 0.895 708 D CB 0.705 41.750 40.800 0.408 0.000 1.097 708 D HN 0.569 nan 8.370 nan 0.000 0.489 709 D N 2.322 122.757 120.400 0.057 0.000 2.348 709 D HA -0.124 4.517 4.640 0.001 0.000 0.211 709 D C 0.956 177.279 176.300 0.038 0.000 0.998 709 D CA -0.133 53.853 54.000 -0.024 0.000 0.873 709 D CB 0.415 41.171 40.800 -0.073 0.000 0.925 709 D HN 0.212 nan 8.370 nan 0.000 0.524 710 N N 0.930 119.746 118.700 0.194 0.000 2.324 710 N HA -0.054 4.687 4.740 0.001 0.000 0.192 710 N C -0.018 175.475 175.510 -0.027 0.000 1.046 710 N CA 0.595 53.797 53.050 0.254 0.000 0.898 710 N CB 0.329 38.941 38.487 0.209 0.000 1.079 710 N HN -0.104 nan 8.380 nan 0.000 0.456 711 V N 3.852 123.738 119.914 -0.047 0.000 2.288 711 V HA 0.200 4.321 4.120 0.001 0.000 0.266 711 V C -0.639 175.502 176.094 0.078 0.000 1.048 711 V CA -0.712 61.581 62.300 -0.012 0.000 0.842 711 V CB -0.003 31.858 31.823 0.064 0.000 1.064 711 V HN 0.318 nan 8.190 nan 0.000 0.472 712 H N 3.400 122.447 119.070 -0.039 0.000 2.972 712 H HA -0.026 4.531 4.556 0.001 0.000 0.343 712 H C 0.913 176.110 175.328 -0.217 0.000 1.054 712 H CA -0.119 55.831 56.048 -0.164 0.000 1.412 712 H CB 0.482 30.062 29.762 -0.303 0.000 1.385 712 H HN 0.610 nan 8.280 nan 0.000 0.600 713 F N 2.037 121.808 119.950 -0.298 0.000 2.184 713 F HA -0.307 4.220 4.527 0.001 0.000 0.301 713 F C 2.583 178.109 175.800 -0.455 0.000 1.076 713 F CA 2.024 59.648 58.000 -0.627 0.000 1.295 713 F CB -0.118 38.677 39.000 -0.342 0.000 1.026 713 F HN 0.683 nan 8.300 nan 0.000 0.494 714 Q N 0.183 119.843 119.800 -0.232 0.000 2.142 714 Q HA -0.342 3.998 4.340 0.001 0.000 0.213 714 Q C 2.109 177.846 176.000 -0.440 0.000 1.004 714 Q CA 2.515 58.121 55.803 -0.329 0.000 0.883 714 Q CB -0.420 28.094 28.738 -0.373 0.000 0.939 714 Q HN 0.602 nan 8.270 nan 0.000 0.413 715 Q N -0.300 119.283 119.800 -0.363 0.000 2.061 715 Q HA -0.144 4.197 4.340 0.001 0.000 0.204 715 Q C 2.299 178.165 176.000 -0.223 0.000 0.984 715 Q CA 1.839 57.539 55.803 -0.170 0.000 0.846 715 Q CB -0.181 28.546 28.738 -0.018 0.000 0.902 715 Q HN 0.353 nan 8.270 nan 0.000 0.421 716 S N 0.625 116.074 115.700 -0.419 0.000 2.406 716 S HA -0.015 4.456 4.470 0.001 0.000 0.228 716 S C 2.031 176.347 174.600 -0.473 0.000 1.020 716 S CA 0.714 58.668 58.200 -0.410 0.000 0.965 716 S CB -0.108 62.821 63.200 -0.453 0.000 0.798 716 S HN 0.473 nan 8.310 nan 0.000 0.488 717 A N 1.316 123.760 122.820 -0.626 0.000 1.972 717 A HA -0.133 4.188 4.320 0.001 0.000 0.219 717 A C 2.111 179.576 177.584 -0.199 0.000 1.169 717 A CA 1.127 52.945 52.037 -0.365 0.000 0.635 717 A CB -0.366 18.487 19.000 -0.244 0.000 0.810 717 A HN 0.370 nan 8.150 nan 0.000 0.446 718 Q N -0.587 119.102 119.800 -0.185 0.000 2.187 718 Q HA 0.036 4.377 4.340 0.001 0.000 0.199 718 Q C 2.095 178.032 176.000 -0.105 0.000 0.957 718 Q CA 0.833 56.585 55.803 -0.086 0.000 0.857 718 Q CB -0.234 28.523 28.738 0.030 0.000 0.929 718 Q HN 0.777 nan 8.270 nan 0.000 0.453 719 I N 1.138 121.615 120.570 -0.155 0.000 2.163 719 I HA -0.275 3.896 4.170 0.001 0.000 0.240 719 I C 2.546 178.487 176.117 -0.293 0.000 1.081 719 I CA 1.476 62.645 61.300 -0.217 0.000 1.353 719 I CB -0.437 37.436 38.000 -0.211 0.000 1.054 719 I HN 0.184 nan 8.210 nan 0.000 0.407 720 S N 0.944 116.484 115.700 -0.266 0.000 2.383 720 S HA -0.292 4.179 4.470 0.001 0.000 0.229 720 S C 2.021 176.585 174.600 -0.062 0.000 1.030 720 S CA 1.599 59.667 58.200 -0.219 0.000 1.002 720 S CB -0.475 62.754 63.200 0.047 0.000 0.829 720 S HN 0.394 nan 8.310 nan 0.000 0.467 721 K N 1.711 122.078 120.400 -0.054 0.000 2.057 721 K HA 0.067 4.388 4.320 0.001 0.000 0.206 721 K C 2.275 178.854 176.600 -0.034 0.000 1.050 721 K CA 1.098 57.375 56.287 -0.017 0.000 0.935 721 K CB -0.661 31.826 32.500 -0.022 0.000 0.715 721 K HN 0.439 nan 8.250 nan 0.000 0.439 722 A N 1.065 123.835 122.820 -0.083 0.000 1.930 722 A HA -0.076 4.244 4.320 0.001 0.000 0.217 722 A C 2.072 179.596 177.584 -0.100 0.000 1.175 722 A CA 1.144 53.129 52.037 -0.087 0.000 0.627 722 A CB -0.518 18.413 19.000 -0.114 0.000 0.815 722 A HN 0.317 nan 8.150 nan 0.000 0.443 723 L N -0.764 120.357 121.223 -0.171 0.000 2.056 723 L HA -0.134 4.207 4.340 0.001 0.000 0.207 723 L C 2.519 179.423 176.870 0.055 0.000 1.078 723 L CA 0.907 55.666 54.840 -0.136 0.000 0.749 723 L CB -0.574 41.279 42.059 -0.345 0.000 0.901 723 L HN 0.231 nan 8.230 nan 0.000 0.433 724 V N -0.007 119.973 119.914 0.111 0.000 2.332 724 V HA -0.308 3.813 4.120 0.001 0.000 0.248 724 V C 2.013 178.146 176.094 0.066 0.000 1.055 724 V CA 1.980 64.358 62.300 0.130 0.000 1.038 724 V CB -0.511 31.384 31.823 0.121 0.000 0.651 724 V HN 0.433 nan 8.190 nan 0.000 0.450 725 D N 0.138 120.559 120.400 0.035 0.000 2.221 725 D HA -0.113 4.528 4.640 0.001 0.000 0.204 725 D C 1.668 177.983 176.300 0.025 0.000 0.982 725 D CA 1.625 55.639 54.000 0.023 0.000 0.857 725 D CB -0.112 40.692 40.800 0.008 0.000 0.934 725 D HN 0.562 nan 8.370 nan 0.000 0.475 726 V N -4.044 115.887 119.914 0.028 0.000 3.376 726 V HA 0.519 4.640 4.120 0.001 0.000 0.313 726 V C 1.199 177.324 176.094 0.052 0.000 1.393 726 V CA 0.173 62.494 62.300 0.034 0.000 1.125 726 V CB -0.065 31.776 31.823 0.030 0.000 1.037 726 V HN 0.130 nan 8.190 nan 0.000 0.440 727 G N 0.477 109.315 108.800 0.062 0.000 2.225 727 G HA2 -0.180 3.781 3.960 0.001 0.000 0.264 727 G HA3 -0.180 3.781 3.960 0.001 0.000 0.264 727 G C -0.126 174.833 174.900 0.098 0.000 1.060 727 G CA 0.228 45.372 45.100 0.073 0.000 0.833 727 G HN 0.849 nan 8.290 nan 0.000 0.498 728 V N 0.551 120.546 119.914 0.134 0.000 2.370 728 V HA 0.457 4.578 4.120 0.001 0.000 0.283 728 V C 0.370 176.631 176.094 0.279 0.000 1.023 728 V CA -0.550 61.860 62.300 0.184 0.000 0.857 728 V CB 1.729 33.657 31.823 0.175 0.000 0.985 728 V HN 0.460 nan 8.190 nan 0.000 0.443 729 D N 4.210 124.742 120.400 0.220 0.000 2.304 729 D HA 0.578 5.219 4.640 0.001 0.000 0.247 729 D C -0.534 175.955 176.300 0.314 0.000 1.089 729 D CA 0.221 54.321 54.000 0.167 0.000 0.910 729 D CB 0.775 41.625 40.800 0.082 0.000 1.199 729 D HN 0.369 nan 8.370 nan 0.000 0.426 730 F N -0.374 119.654 119.950 0.129 0.000 2.817 730 F HA 0.468 4.996 4.527 0.001 0.000 0.317 730 F C -1.525 174.338 175.800 0.105 0.000 1.168 730 F CA -1.159 56.944 58.000 0.171 0.000 0.911 730 F CB 0.780 39.917 39.000 0.230 0.000 1.337 730 F HN 0.070 nan 8.300 nan 0.000 0.464 731 Q N 1.398 121.306 119.800 0.180 0.000 2.266 731 Q HA 0.832 5.173 4.340 0.001 0.000 0.261 731 Q C -0.796 175.252 176.000 0.081 0.000 0.985 731 Q CA -0.754 55.066 55.803 0.028 0.000 0.873 731 Q CB 2.013 30.779 28.738 0.046 0.000 1.306 731 Q HN 1.056 nan 8.270 nan 0.000 0.447 732 A N 1.565 124.391 122.820 0.010 0.000 2.594 732 A HA 0.869 5.190 4.320 0.001 0.000 0.291 732 A C -1.420 176.122 177.584 -0.071 0.000 1.105 732 A CA -0.576 51.490 52.037 0.048 0.000 0.694 732 A CB 2.029 21.155 19.000 0.209 0.000 1.291 732 A HN 0.619 nan 8.150 nan 0.000 0.410 733 M N 0.921 120.455 119.600 -0.110 0.000 2.296 733 M HA 0.561 5.042 4.480 0.001 0.000 0.268 733 M C -2.107 174.034 176.300 -0.265 0.000 1.048 733 M CA -0.414 54.656 55.300 -0.382 0.000 0.966 733 M CB 1.064 33.346 32.600 -0.531 0.000 1.912 733 M HN 1.025 nan 8.290 nan 0.000 0.484 734 W N 4.052 125.180 121.300 -0.287 0.000 2.516 734 W HA 0.792 5.453 4.660 0.001 0.000 0.343 734 W C -1.982 174.251 176.519 -0.477 0.000 1.094 734 W CA -0.905 56.348 57.345 -0.153 0.000 1.250 734 W CB 0.414 29.829 29.460 -0.074 0.000 1.308 734 W HN 0.624 nan 8.180 nan 0.000 0.588 735 Y N 2.103 122.502 120.300 0.164 0.000 2.376 735 Y HA 0.290 4.840 4.550 0.001 0.000 0.326 735 Y C 0.489 176.477 175.900 0.147 0.000 0.970 735 Y CA -1.011 57.107 58.100 0.031 0.000 1.248 735 Y CB 1.632 40.097 38.460 0.008 0.000 1.117 735 Y HN 0.412 nan 8.280 nan 0.000 0.476 736 T N 4.755 119.450 114.554 0.236 0.000 2.831 736 T HA -0.038 4.313 4.350 0.001 0.000 0.291 736 T C 0.129 174.887 174.700 0.098 0.000 0.981 736 T CA 0.747 62.938 62.100 0.151 0.000 1.174 736 T CB -0.185 68.710 68.868 0.046 0.000 0.929 736 T HN 0.726 nan 8.240 nan 0.000 0.532 737 D N 1.026 121.463 120.400 0.062 0.000 3.079 737 D HA -0.120 4.521 4.640 0.001 0.000 0.214 737 D C 0.234 176.646 176.300 0.187 0.000 1.145 737 D CA 1.083 55.060 54.000 -0.037 0.000 0.958 737 D CB -0.396 40.190 40.800 -0.357 0.000 1.117 737 D HN 0.538 nan 8.370 nan 0.000 0.416 738 E N 0.819 121.156 120.200 0.228 0.000 2.277 738 E HA 0.349 4.700 4.350 0.001 0.000 0.274 738 E C 0.726 177.507 176.600 0.302 0.000 1.022 738 E CA -0.349 56.207 56.400 0.261 0.000 0.853 738 E CB 1.319 31.163 29.700 0.241 0.000 1.086 738 E HN 0.323 nan 8.360 nan 0.000 0.397 739 D N -0.339 120.254 120.400 0.321 0.000 2.511 739 D HA -0.008 4.633 4.640 0.001 0.000 0.283 739 D C 1.082 177.614 176.300 0.385 0.000 1.198 739 D CA -0.122 54.091 54.000 0.355 0.000 1.097 739 D CB -0.175 40.862 40.800 0.395 0.000 1.160 739 D HN 0.413 nan 8.370 nan 0.000 0.589 740 H N -1.686 117.569 119.070 0.308 0.000 2.489 740 H HA 0.097 4.653 4.556 0.001 0.000 0.293 740 H C 1.870 177.455 175.328 0.429 0.000 1.066 740 H CA 2.082 58.333 56.048 0.338 0.000 1.305 740 H CB -0.334 29.612 29.762 0.307 0.000 1.386 740 H HN 0.486 nan 8.280 nan 0.000 0.551 741 G N -0.391 108.603 108.800 0.323 0.000 2.683 741 G HA2 0.015 3.976 3.960 0.001 0.000 0.213 741 G HA3 0.015 3.976 3.960 0.001 0.000 0.213 741 G C 0.665 175.749 174.900 0.307 0.000 1.142 741 G CA 0.274 45.498 45.100 0.205 0.000 0.793 741 G HN 0.505 nan 8.290 nan 0.000 0.534 742 I N 0.164 120.927 120.570 0.322 0.000 5.158 742 I HA -0.329 3.842 4.170 0.001 0.000 0.126 742 I C 1.531 177.777 176.117 0.215 0.000 1.344 742 I CA 0.170 61.612 61.300 0.238 0.000 2.637 742 I CB -1.190 36.931 38.000 0.202 0.000 2.338 742 I HN 0.262 nan 8.210 nan 0.000 0.320 743 A N 1.032 123.952 122.820 0.166 0.000 2.348 743 A HA 0.287 4.608 4.320 0.001 0.000 0.224 743 A C 1.178 178.808 177.584 0.077 0.000 1.227 743 A CA 0.536 52.635 52.037 0.104 0.000 0.885 743 A CB 0.130 19.154 19.000 0.040 0.000 0.933 743 A HN 0.631 nan 8.150 nan 0.000 0.506 744 S N -0.274 115.486 115.700 0.101 0.000 2.568 744 S HA 0.149 4.620 4.470 0.001 0.000 0.282 744 S C 1.248 175.899 174.600 0.085 0.000 1.338 744 S CA 0.344 58.596 58.200 0.086 0.000 1.045 744 S CB 1.087 64.346 63.200 0.098 0.000 0.873 744 S HN 0.561 nan 8.310 nan 0.000 0.516 745 S N 2.276 118.014 115.700 0.063 0.000 2.372 745 S HA -0.207 4.264 4.470 0.001 0.000 0.227 745 S C 2.047 176.705 174.600 0.096 0.000 1.044 745 S CA 2.346 60.587 58.200 0.068 0.000 1.050 745 S CB -1.636 61.586 63.200 0.036 0.000 0.901 745 S HN 1.050 nan 8.310 nan 0.000 0.447 746 T N -0.151 114.449 114.554 0.077 0.000 2.777 746 T HA 0.175 4.526 4.350 0.001 0.000 0.266 746 T C 2.023 176.773 174.700 0.084 0.000 1.040 746 T CA 1.303 63.450 62.100 0.078 0.000 1.141 746 T CB -0.989 67.917 68.868 0.063 0.000 0.868 746 T HN 0.496 nan 8.240 nan 0.000 0.444 747 A N 1.476 124.323 122.820 0.045 0.000 1.930 747 A HA -0.079 4.242 4.320 0.001 0.000 0.217 747 A C 2.194 179.719 177.584 -0.098 0.000 1.175 747 A CA 1.973 53.958 52.037 -0.087 0.000 0.627 747 A CB -1.198 17.711 19.000 -0.151 0.000 0.815 747 A HN 0.753 nan 8.150 nan 0.000 0.443 748 H N -0.036 119.015 119.070 -0.032 0.000 2.319 748 H HA -0.146 4.410 4.556 0.001 0.000 0.299 748 H C 2.090 177.489 175.328 0.119 0.000 1.092 748 H CA 2.375 58.464 56.048 0.068 0.000 1.302 748 H CB -0.229 29.576 29.762 0.073 0.000 1.373 748 H HN 0.575 nan 8.280 nan 0.000 0.497 749 Q N -1.021 118.768 119.800 -0.017 0.000 2.119 749 Q HA -0.184 4.157 4.340 0.001 0.000 0.201 749 Q C 2.214 178.195 176.000 -0.031 0.000 0.972 749 Q CA 1.302 57.060 55.803 -0.074 0.000 0.847 749 Q CB -0.191 28.548 28.738 0.001 0.000 0.903 749 Q HN 0.638 nan 8.270 nan 0.000 0.433 750 H N 0.836 119.873 119.070 -0.056 0.000 2.326 750 H HA -0.068 4.489 4.556 0.001 0.000 0.301 750 H C 2.058 177.382 175.328 -0.008 0.000 1.081 750 H CA 1.323 57.373 56.048 0.005 0.000 1.334 750 H CB -0.058 29.752 29.762 0.081 0.000 1.385 750 H HN 0.268 nan 8.280 nan 0.000 0.504 751 I N 0.156 120.709 120.570 -0.028 0.000 2.179 751 I HA -0.342 3.829 4.170 0.001 0.000 0.242 751 I C 1.855 177.772 176.117 -0.333 0.000 1.088 751 I CA 1.388 62.587 61.300 -0.169 0.000 1.357 751 I CB -0.292 37.413 38.000 -0.492 0.000 1.051 751 I HN 0.138 nan 8.210 nan 0.000 0.409 752 Y N 0.848 120.950 120.300 -0.329 0.000 2.293 752 Y HA -0.206 4.345 4.550 0.001 0.000 0.291 752 Y C 2.702 178.410 175.900 -0.318 0.000 1.137 752 Y CA 1.798 59.601 58.100 -0.496 0.000 1.202 752 Y CB -0.870 37.289 38.460 -0.501 0.000 0.990 752 Y HN 0.169 nan 8.280 nan 0.000 0.537 753 T N -1.571 112.918 114.554 -0.107 0.000 2.701 753 T HA -0.242 4.109 4.350 0.001 0.000 0.263 753 T C 1.592 176.189 174.700 -0.172 0.000 1.040 753 T CA 1.902 63.902 62.100 -0.167 0.000 1.147 753 T CB -0.505 68.266 68.868 -0.161 0.000 0.865 753 T HN 0.408 nan 8.240 nan 0.000 0.426 754 H N 0.838 119.816 119.070 -0.153 0.000 2.352 754 H HA 0.041 4.598 4.556 0.001 0.000 0.299 754 H C 2.180 177.515 175.328 0.011 0.000 1.097 754 H CA 1.706 57.746 56.048 -0.013 0.000 1.311 754 H CB -0.266 29.480 29.762 -0.027 0.000 1.377 754 H HN 0.267 nan 8.280 nan 0.000 0.504 755 M N -0.919 118.630 119.600 -0.085 0.000 2.175 755 M HA -0.158 4.322 4.480 0.001 0.000 0.264 755 M C 2.436 178.835 176.300 0.164 0.000 1.063 755 M CA 1.445 56.686 55.300 -0.098 0.000 1.119 755 M CB -0.014 32.289 32.600 -0.495 0.000 1.377 755 M HN 0.207 nan 8.290 nan 0.000 0.415 756 S N -0.556 115.257 115.700 0.189 0.000 2.368 756 S HA -0.156 4.314 4.470 0.001 0.000 0.225 756 S C 1.682 176.357 174.600 0.126 0.000 1.030 756 S CA 1.031 59.425 58.200 0.322 0.000 0.999 756 S CB -0.590 62.784 63.200 0.289 0.000 0.844 756 S HN 0.466 nan 8.310 nan 0.000 0.459 757 H N -0.197 118.930 119.070 0.095 0.000 2.352 757 H HA -0.063 4.494 4.556 0.001 0.000 0.299 757 H C 1.994 177.325 175.328 0.005 0.000 1.097 757 H CA 1.361 57.422 56.048 0.021 0.000 1.311 757 H CB -0.734 28.994 29.762 -0.056 0.000 1.377 757 H HN 0.433 nan 8.280 nan 0.000 0.504 758 F N 1.269 121.207 119.950 -0.020 0.000 2.102 758 F HA -0.190 4.337 4.527 0.001 0.000 0.298 758 F C 2.335 178.093 175.800 -0.069 0.000 1.105 758 F CA 0.932 58.892 58.000 -0.065 0.000 1.239 758 F CB -0.260 38.679 39.000 -0.103 0.000 0.991 758 F HN -0.037 nan 8.300 nan 0.000 0.474 759 I N 0.529 121.124 120.570 0.041 0.000 2.252 759 I HA -0.254 3.917 4.170 0.001 0.000 0.245 759 I C 2.214 178.143 176.117 -0.313 0.000 1.102 759 I CA 1.429 62.588 61.300 -0.235 0.000 1.385 759 I CB -1.295 36.632 38.000 -0.122 0.000 1.064 759 I HN 0.208 nan 8.210 nan 0.000 0.414 760 K N 0.231 120.590 120.400 -0.069 0.000 2.057 760 K HA -0.220 4.101 4.320 0.001 0.000 0.207 760 K C 2.124 178.719 176.600 -0.009 0.000 1.049 760 K CA 1.140 57.441 56.287 0.023 0.000 0.931 760 K CB -0.234 32.323 32.500 0.095 0.000 0.714 760 K HN 0.294 nan 8.250 nan 0.000 0.440 761 Q N 1.378 121.129 119.800 -0.081 0.000 2.050 761 Q HA -0.212 4.128 4.340 0.001 0.000 0.202 761 Q C 2.284 178.189 176.000 -0.158 0.000 0.980 761 Q CA 1.875 57.613 55.803 -0.108 0.000 0.840 761 Q CB -0.756 27.893 28.738 -0.147 0.000 0.898 761 Q HN 0.421 nan 8.270 nan 0.000 0.424 762 c N 0.357 118.752 118.600 -0.341 0.000 2.403 762 c HA -0.126 4.445 4.570 0.001 0.000 0.277 762 c C 2.256 176.365 174.090 0.033 0.000 1.248 762 c CA 0.683 56.835 56.329 -0.295 0.000 1.762 762 c CB -1.424 40.765 42.510 -0.535 0.000 2.014 762 c HN 0.544 nan 8.230 nan 0.000 0.486 763 F N 1.503 121.419 119.950 -0.057 0.000 2.765 763 F HA 0.241 4.768 4.527 0.001 0.000 0.302 763 F C 1.686 177.475 175.800 -0.020 0.000 1.111 763 F CA 0.518 58.505 58.000 -0.022 0.000 1.359 763 F CB -1.129 37.867 39.000 -0.006 0.000 1.097 763 F HN 0.241 nan 8.300 nan 0.000 0.577 764 S N 0.808 116.594 115.700 0.145 0.000 3.749 764 S HA -0.194 4.277 4.470 0.001 0.000 0.348 764 S C -0.028 174.620 174.600 0.080 0.000 1.045 764 S CA 0.048 58.295 58.200 0.079 0.000 1.051 764 S CB -2.233 61.000 63.200 0.056 0.000 0.898 764 S HN 0.229 nan 8.310 nan 0.000 0.472 765 L N 0.971 122.257 121.223 0.104 0.000 2.289 765 L HA 0.436 4.777 4.340 0.001 0.000 0.285 765 L C -1.194 175.721 176.870 0.076 0.000 1.049 765 L CA -2.094 52.802 54.840 0.094 0.000 0.804 765 L CB 0.189 42.326 42.059 0.129 0.000 1.195 765 L HN 0.035 nan 8.230 nan 0.000 0.428 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.135 63.100 0.059 0.000 0.800 766 P CB 0.000 31.730 31.700 0.050 0.000 0.726