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 2bub_1_B DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.639 174.600 0.066 0.000 1.055 39 S CA 0.000 58.236 58.200 0.060 0.000 1.107 39 S CB 0.000 63.228 63.200 0.046 0.000 0.593 40 R N 3.505 124.050 120.500 0.076 0.000 2.539 40 R HA 0.475 4.815 4.340 -0.000 0.000 0.275 40 R C 0.554 176.907 176.300 0.088 0.000 1.077 40 R CA -0.427 55.718 56.100 0.076 0.000 1.097 40 R CB 0.468 30.809 30.300 0.068 0.000 1.018 40 R HN 0.509 nan 8.270 nan 0.000 0.483 41 K N 0.794 121.251 120.400 0.096 0.000 2.156 41 K HA 0.127 4.447 4.320 -0.000 0.000 0.242 41 K C -0.364 176.316 176.600 0.134 0.000 1.033 41 K CA -0.177 56.177 56.287 0.113 0.000 0.878 41 K CB 0.621 33.194 32.500 0.122 0.000 1.057 41 K HN 0.387 nan 8.250 nan 0.000 0.505 42 T N -0.019 114.627 114.554 0.154 0.000 2.950 42 T HA 0.182 4.532 4.350 -0.000 0.000 0.288 42 T C -1.532 173.323 174.700 0.260 0.000 1.035 42 T CA -0.564 61.645 62.100 0.182 0.000 1.028 42 T CB 0.382 69.346 68.868 0.160 0.000 1.109 42 T HN 0.448 nan 8.240 nan 0.000 0.514 43 Y N 3.303 123.706 120.300 0.172 0.000 2.584 43 Y HA 0.359 4.909 4.550 -0.000 0.000 0.351 43 Y C 0.777 176.867 175.900 0.317 0.000 1.030 43 Y CA -0.439 57.810 58.100 0.247 0.000 1.332 43 Y CB -0.156 38.420 38.460 0.193 0.000 1.148 43 Y HN 0.578 nan 8.280 nan 0.000 0.528 44 T N 3.181 117.710 114.554 -0.042 0.000 2.925 44 T HA 0.195 4.545 4.350 -0.000 0.000 0.285 44 T C 0.915 175.475 174.700 -0.232 0.000 1.021 44 T CA -0.928 61.203 62.100 0.051 0.000 1.042 44 T CB 1.570 70.457 68.868 0.032 0.000 1.037 44 T HN 0.671 nan 8.240 nan 0.000 0.481 45 L N 2.369 123.295 121.223 -0.494 0.000 2.064 45 L HA -0.146 4.194 4.340 -0.000 0.000 0.216 45 L C 2.478 179.151 176.870 -0.329 0.000 1.077 45 L CA 2.535 56.952 54.840 -0.704 0.000 0.766 45 L CB -1.518 40.041 42.059 -0.833 0.000 0.890 45 L HN 1.015 nan 8.230 nan 0.000 0.435 46 T N -0.876 113.529 114.554 -0.248 0.000 2.580 46 T HA -0.221 4.129 4.350 -0.000 0.000 0.265 46 T C 1.506 176.073 174.700 -0.222 0.000 1.063 46 T CA 1.480 63.462 62.100 -0.195 0.000 1.170 46 T CB -0.687 68.098 68.868 -0.139 0.000 0.863 46 T HN 0.372 nan 8.240 nan 0.000 0.418 47 D N 0.151 120.388 120.400 -0.272 0.000 2.170 47 D HA -0.145 4.495 4.640 -0.000 0.000 0.193 47 D C 1.676 177.831 176.300 -0.242 0.000 1.004 47 D CA 1.268 55.062 54.000 -0.343 0.000 0.860 47 D CB -0.520 40.019 40.800 -0.434 0.000 0.931 47 D HN 0.453 nan 8.370 nan 0.000 0.448 48 Y N 1.340 121.403 120.300 -0.395 0.000 2.084 48 Y HA -0.156 4.394 4.550 -0.000 0.000 0.279 48 Y C 2.003 177.862 175.900 -0.068 0.000 1.119 48 Y CA 1.093 59.121 58.100 -0.120 0.000 1.101 48 Y CB -0.662 37.762 38.460 -0.060 0.000 0.989 48 Y HN -0.142 nan 8.280 nan 0.000 0.484 49 L N 0.634 121.569 121.223 -0.479 0.000 2.191 49 L HA -0.136 4.203 4.340 -0.000 0.000 0.212 49 L C 2.144 178.860 176.870 -0.257 0.000 1.103 49 L CA 1.572 56.104 54.840 -0.513 0.000 0.769 49 L CB -1.417 40.416 42.059 -0.378 0.000 0.908 49 L HN 0.258 nan 8.230 nan 0.000 0.438 50 K N -0.747 119.537 120.400 -0.194 0.000 2.334 50 K HA 0.084 4.404 4.320 -0.000 0.000 0.195 50 K C 0.285 176.822 176.600 -0.106 0.000 1.045 50 K CA 0.050 56.257 56.287 -0.133 0.000 1.004 50 K CB 0.334 32.755 32.500 -0.131 0.000 0.837 50 K HN 0.266 nan 8.250 nan 0.000 0.510 51 N N 0.703 119.348 118.700 -0.091 0.000 2.858 51 N HA -0.146 4.594 4.740 -0.000 0.000 0.247 51 N C -0.197 175.277 175.510 -0.060 0.000 1.092 51 N CA 0.156 53.195 53.050 -0.019 0.000 0.675 51 N CB -0.664 37.815 38.487 -0.014 0.000 0.959 51 N HN 0.077 nan 8.380 nan 0.000 0.558 52 T N -0.128 114.320 114.554 -0.177 0.000 2.978 52 T HA -0.027 4.323 4.350 -0.000 0.000 0.262 52 T C -0.018 174.453 174.700 -0.382 0.000 1.063 52 T CA 1.083 62.969 62.100 -0.357 0.000 1.140 52 T CB -0.029 68.485 68.868 -0.590 0.000 0.886 52 T HN 0.341 nan 8.240 nan 0.000 0.470 53 Y N 1.670 122.059 120.300 0.148 0.000 2.369 53 Y HA 0.590 5.140 4.550 -0.000 0.000 0.337 53 Y C 0.288 176.283 175.900 0.158 0.000 0.961 53 Y CA -1.514 56.684 58.100 0.164 0.000 1.186 53 Y CB 0.454 39.049 38.460 0.225 0.000 1.139 53 Y HN -0.157 nan 8.280 nan 0.000 0.494 54 R N 3.360 124.000 120.500 0.233 0.000 2.294 54 R HA 0.480 4.820 4.340 -0.000 0.000 0.319 54 R C -0.957 175.445 176.300 0.169 0.000 0.984 54 R CA -0.539 55.662 56.100 0.168 0.000 0.861 54 R CB 0.679 31.043 30.300 0.107 0.000 1.104 54 R HN 0.704 nan 8.270 nan 0.000 0.451 55 L N 5.197 126.522 121.223 0.169 0.000 2.433 55 L HA 0.153 4.493 4.340 -0.000 0.000 0.275 55 L C 0.468 177.413 176.870 0.126 0.000 1.128 55 L CA 0.212 55.149 54.840 0.163 0.000 0.875 55 L CB 0.408 42.575 42.059 0.180 0.000 1.171 55 L HN 0.479 nan 8.230 nan 0.000 0.463 56 K N 4.625 125.096 120.400 0.118 0.000 2.218 56 K HA 0.568 4.888 4.320 -0.000 0.000 0.276 56 K C -0.283 176.354 176.600 0.062 0.000 1.022 56 K CA -0.385 55.951 56.287 0.082 0.000 0.946 56 K CB 1.594 34.140 32.500 0.077 0.000 1.000 56 K HN 0.425 nan 8.250 nan 0.000 0.468 57 L N 1.217 122.421 121.223 -0.031 0.000 2.256 57 L HA 0.499 4.839 4.340 -0.000 0.000 0.261 57 L C -0.906 175.763 176.870 -0.335 0.000 1.022 57 L CA -1.183 53.523 54.840 -0.222 0.000 0.828 57 L CB 0.900 42.904 42.059 -0.092 0.000 1.374 57 L HN 0.423 nan 8.230 nan 0.000 0.436 58 Y N 0.036 119.851 120.300 -0.808 0.000 2.475 58 Y HA 0.360 4.910 4.550 -0.000 0.000 0.343 58 Y C -0.728 174.970 175.900 -0.337 0.000 1.068 58 Y CA -0.385 57.390 58.100 -0.542 0.000 1.307 58 Y CB 1.684 39.697 38.460 -0.746 0.000 1.097 58 Y HN 0.454 nan 8.280 nan 0.000 0.530 59 S N 6.764 122.381 115.700 -0.139 0.000 2.409 59 S HA 0.446 4.916 4.470 -0.000 0.000 0.308 59 S C -0.466 174.102 174.600 -0.055 0.000 1.080 59 S CA -0.669 57.496 58.200 -0.058 0.000 1.081 59 S CB -0.294 62.889 63.200 -0.027 0.000 1.009 59 S HN 0.554 nan 8.310 nan 0.000 0.502 60 L N 1.895 123.019 121.223 -0.165 0.000 2.352 60 L HA 0.722 5.062 4.340 -0.000 0.000 0.269 60 L C -0.200 176.552 176.870 -0.197 0.000 1.034 60 L CA -0.772 53.898 54.840 -0.283 0.000 0.806 60 L CB 0.861 42.314 42.059 -1.011 0.000 1.244 60 L HN 0.418 nan 8.230 nan 0.000 0.447 61 R N 1.585 122.038 120.500 -0.079 0.000 2.412 61 R HA 0.316 4.656 4.340 -0.000 0.000 0.304 61 R C -1.456 174.916 176.300 0.120 0.000 1.066 61 R CA -0.470 55.652 56.100 0.037 0.000 0.923 61 R CB 1.129 31.486 30.300 0.094 0.000 1.156 61 R HN 0.705 nan 8.270 nan 0.000 0.513 62 W N 5.138 126.557 121.300 0.199 0.000 2.417 62 W HA -0.000 4.660 4.660 -0.000 0.000 0.332 62 W C 1.520 178.136 176.519 0.162 0.000 1.413 62 W CA -0.223 57.255 57.345 0.221 0.000 1.299 62 W CB 0.332 29.918 29.460 0.210 0.000 1.304 62 W HN 0.630 nan 8.180 nan 0.000 0.565 63 I N 0.864 121.661 120.570 0.378 0.000 4.018 63 I HA 0.301 4.471 4.170 -0.000 0.000 0.337 63 I C 0.738 176.975 176.117 0.201 0.000 1.327 63 I CA -0.132 61.294 61.300 0.211 0.000 1.100 63 I CB -0.194 37.852 38.000 0.077 0.000 1.025 63 I HN 0.226 nan 8.210 nan 0.000 0.396 64 S N 0.349 116.223 115.700 0.291 0.000 2.800 64 S HA 0.210 4.680 4.470 -0.000 0.000 0.293 64 S C -0.012 174.769 174.600 0.302 0.000 1.209 64 S CA -0.002 58.358 58.200 0.267 0.000 0.884 64 S CB 0.770 64.137 63.200 0.278 0.000 1.244 64 S HN 0.299 nan 8.310 nan 0.000 0.540 65 D N -0.118 120.466 120.400 0.305 0.000 2.347 65 D HA -0.026 4.614 4.640 -0.000 0.000 0.213 65 D C 0.998 177.546 176.300 0.413 0.000 0.985 65 D CA 1.439 55.576 54.000 0.228 0.000 0.879 65 D CB -0.690 40.187 40.800 0.129 0.000 0.919 65 D HN 0.959 nan 8.370 nan 0.000 0.526 66 H N -2.247 117.023 119.070 0.333 0.000 3.540 66 H HA 0.486 5.042 4.556 -0.000 0.000 0.259 66 H C -0.430 175.103 175.328 0.342 0.000 1.197 66 H CA -0.684 55.616 56.048 0.421 0.000 1.136 66 H CB 0.428 30.403 29.762 0.355 0.000 1.605 66 H HN -0.050 nan 8.280 nan 0.000 0.657 67 E N 0.923 121.268 120.200 0.242 0.000 2.408 67 E HA 0.352 4.701 4.350 -0.000 0.000 0.275 67 E C -1.781 174.949 176.600 0.217 0.000 0.935 67 E CA -1.357 55.069 56.400 0.042 0.000 0.775 67 E CB 2.368 31.938 29.700 -0.216 0.000 1.277 67 E HN 0.315 nan 8.360 nan 0.000 0.455 68 Y N -0.901 119.405 120.300 0.009 0.000 2.534 68 Y HA 0.589 5.139 4.550 -0.000 0.000 0.345 68 Y C -1.619 174.273 175.900 -0.015 0.000 1.031 68 Y CA -1.459 56.575 58.100 -0.109 0.000 1.022 68 Y CB 0.712 38.804 38.460 -0.614 0.000 1.292 68 Y HN 0.425 nan 8.280 nan 0.000 0.459 69 L N 3.695 125.084 121.223 0.277 0.000 2.395 69 L HA 0.439 4.779 4.340 -0.000 0.000 0.269 69 L C -1.150 175.950 176.870 0.383 0.000 1.133 69 L CA -0.729 54.264 54.840 0.254 0.000 0.812 69 L CB 1.195 43.354 42.059 0.167 0.000 1.125 69 L HN 0.873 nan 8.230 nan 0.000 0.452 70 Y N 2.450 122.854 120.300 0.173 0.000 2.357 70 Y HA 0.177 4.727 4.550 -0.000 0.000 0.319 70 Y C -0.781 175.123 175.900 0.007 0.000 1.225 70 Y CA -1.313 56.794 58.100 0.011 0.000 1.095 70 Y CB 1.071 39.444 38.460 -0.145 0.000 1.302 70 Y HN 0.524 nan 8.280 nan 0.000 0.429 71 K N 6.112 125.984 120.400 -0.880 0.000 2.250 71 K HA 0.278 4.598 4.320 -0.000 0.000 0.285 71 K C -0.977 175.110 176.600 -0.855 0.000 1.097 71 K CA -0.358 55.540 56.287 -0.648 0.000 0.913 71 K CB 0.751 33.002 32.500 -0.416 0.000 1.179 71 K HN 0.807 nan 8.250 nan 0.000 0.462 72 Q N 3.511 123.070 119.800 -0.402 0.000 2.296 72 Q HA 0.039 4.379 4.340 -0.000 0.000 0.257 72 Q C -0.871 175.073 176.000 -0.093 0.000 0.942 72 Q CA 0.065 55.792 55.803 -0.126 0.000 0.939 72 Q CB 0.777 29.622 28.738 0.178 0.000 1.198 72 Q HN 0.744 nan 8.270 nan 0.000 0.429 73 E N 3.561 123.710 120.200 -0.085 0.000 2.228 73 E HA -0.413 3.937 4.350 -0.000 0.000 0.213 73 E C -0.306 176.243 176.600 -0.084 0.000 1.282 73 E CA 0.496 56.860 56.400 -0.059 0.000 0.707 73 E CB -0.932 28.757 29.700 -0.020 0.000 1.150 73 E HN 0.921 nan 8.360 nan 0.000 0.362 74 N N -0.324 118.300 118.700 -0.126 0.000 2.815 74 N HA -0.189 4.551 4.740 -0.000 0.000 0.247 74 N C -0.917 174.509 175.510 -0.141 0.000 1.030 74 N CA 1.605 54.575 53.050 -0.132 0.000 0.881 74 N CB -0.550 37.881 38.487 -0.093 0.000 1.134 74 N HN 0.455 nan 8.380 nan 0.000 0.582 75 N N 0.302 118.926 118.700 -0.127 0.000 2.492 75 N HA 0.382 5.122 4.740 -0.000 0.000 0.289 75 N C 0.013 175.446 175.510 -0.129 0.000 1.133 75 N CA -0.344 52.637 53.050 -0.115 0.000 0.961 75 N CB 1.013 39.459 38.487 -0.067 0.000 1.186 75 N HN 0.129 nan 8.380 nan 0.000 0.493 76 I N 1.977 122.485 120.570 -0.103 0.000 2.325 76 I HA 0.232 4.401 4.170 -0.000 0.000 0.291 76 I C 0.233 176.407 176.117 0.095 0.000 1.019 76 I CA -0.338 60.938 61.300 -0.041 0.000 1.302 76 I CB 0.599 38.587 38.000 -0.021 0.000 1.401 76 I HN 0.167 nan 8.210 nan 0.000 0.485 77 L N 6.362 127.679 121.223 0.157 0.000 2.334 77 L HA 0.640 4.980 4.340 -0.000 0.000 0.270 77 L C -0.466 176.545 176.870 0.236 0.000 1.018 77 L CA -1.160 53.812 54.840 0.220 0.000 0.811 77 L CB 1.873 44.146 42.059 0.358 0.000 1.271 77 L HN 0.217 nan 8.230 nan 0.000 0.443 78 V N 1.540 121.513 119.914 0.099 0.000 2.357 78 V HA 0.363 4.483 4.120 -0.000 0.000 0.284 78 V C -0.506 175.510 176.094 -0.131 0.000 1.018 78 V CA -0.372 61.934 62.300 0.011 0.000 0.841 78 V CB 1.165 32.949 31.823 -0.066 0.000 0.991 78 V HN 0.343 nan 8.190 nan 0.000 0.437 79 F N 3.227 122.936 119.950 -0.402 0.000 2.404 79 F HA 0.422 4.949 4.527 -0.000 0.000 0.339 79 F C 0.727 176.194 175.800 -0.554 0.000 1.105 79 F CA -0.523 57.152 58.000 -0.542 0.000 1.087 79 F CB 1.250 39.706 39.000 -0.906 0.000 1.143 79 F HN 0.440 nan 8.300 nan 0.000 0.491 80 N N 2.176 120.740 118.700 -0.226 0.000 2.444 80 N HA 0.281 5.021 4.740 -0.000 0.000 0.271 80 N C 0.358 175.782 175.510 -0.143 0.000 1.069 80 N CA 0.146 53.094 53.050 -0.169 0.000 0.965 80 N CB 1.716 40.168 38.487 -0.058 0.000 1.092 80 N HN 0.764 nan 8.380 nan 0.000 0.476 81 A N 4.098 126.798 122.820 -0.201 0.000 1.825 81 A HA -0.158 4.162 4.320 -0.000 0.000 0.214 81 A C 1.852 179.224 177.584 -0.354 0.000 1.206 81 A CA 1.668 53.541 52.037 -0.273 0.000 0.609 81 A CB -0.873 17.863 19.000 -0.440 0.000 0.851 81 A HN 0.827 nan 8.150 nan 0.000 0.445 82 E N -1.129 118.755 120.200 -0.528 0.000 2.114 82 E HA -0.243 4.107 4.350 -0.000 0.000 0.199 82 E C 1.476 177.804 176.600 -0.454 0.000 1.008 82 E CA 2.212 58.309 56.400 -0.506 0.000 0.810 82 E CB -0.417 28.971 29.700 -0.520 0.000 0.739 82 E HN 0.713 nan 8.360 nan 0.000 0.456 83 Y N -2.062 118.211 120.300 -0.044 0.000 2.481 83 Y HA 0.365 4.914 4.550 -0.000 0.000 0.258 83 Y C 1.806 177.691 175.900 -0.026 0.000 1.103 83 Y CA 0.456 58.543 58.100 -0.022 0.000 1.287 83 Y CB 1.124 39.578 38.460 -0.010 0.000 1.108 83 Y HN 0.249 nan 8.280 nan 0.000 0.529 84 G N 0.130 108.983 108.800 0.087 0.000 2.284 84 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.216 84 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.216 84 G C 0.475 175.410 174.900 0.058 0.000 1.009 84 G CA 0.024 45.176 45.100 0.087 0.000 0.625 84 G HN 0.409 nan 8.290 nan 0.000 0.501 85 N N 1.426 120.121 118.700 -0.008 0.000 2.260 85 N HA 0.473 5.213 4.740 -0.000 0.000 0.230 85 N C 0.082 175.381 175.510 -0.352 0.000 1.323 85 N CA 1.275 54.249 53.050 -0.127 0.000 0.897 85 N CB 0.707 39.141 38.487 -0.087 0.000 1.146 85 N HN 0.992 nan 8.380 nan 0.000 0.460 86 S N -2.282 113.159 115.700 -0.430 0.000 2.625 86 S HA 0.633 5.103 4.470 -0.000 0.000 0.271 86 S C -1.244 173.145 174.600 -0.351 0.000 1.161 86 S CA -0.966 56.836 58.200 -0.664 0.000 0.820 86 S CB 1.570 64.052 63.200 -1.197 0.000 1.137 86 S HN 0.641 nan 8.310 nan 0.000 0.470 87 S N 0.634 116.162 115.700 -0.288 0.000 2.649 87 S HA 0.406 4.876 4.470 -0.000 0.000 0.274 87 S C -0.938 173.627 174.600 -0.059 0.000 1.176 87 S CA -0.594 57.527 58.200 -0.131 0.000 0.988 87 S CB 1.712 64.870 63.200 -0.070 0.000 1.071 87 S HN 0.916 nan 8.310 nan 0.000 0.478 88 V N 5.746 125.631 119.914 -0.048 0.000 2.493 88 V HA 0.186 4.306 4.120 -0.000 0.000 0.292 88 V C 0.505 176.615 176.094 0.026 0.000 1.016 88 V CA 0.814 63.106 62.300 -0.013 0.000 1.097 88 V CB 0.198 31.991 31.823 -0.049 0.000 0.947 88 V HN 0.919 nan 8.190 nan 0.000 0.479 89 F N 6.886 126.800 119.950 -0.061 0.000 2.274 89 F HA 0.405 4.932 4.527 -0.000 0.000 0.288 89 F C 0.355 176.117 175.800 -0.063 0.000 1.069 89 F CA 0.593 58.563 58.000 -0.051 0.000 1.343 89 F CB 0.471 39.461 39.000 -0.017 0.000 1.089 89 F HN 0.418 nan 8.300 nan 0.000 0.517 90 L N 1.079 122.238 121.223 -0.107 0.000 2.410 90 L HA 0.342 4.681 4.340 -0.000 0.000 0.270 90 L C -0.624 176.137 176.870 -0.182 0.000 0.983 90 L CA -0.708 53.996 54.840 -0.226 0.000 0.822 90 L CB 1.526 43.502 42.059 -0.139 0.000 1.285 90 L HN 0.013 nan 8.230 nan 0.000 0.409 91 E N 2.113 122.173 120.200 -0.235 0.000 2.301 91 E HA 0.097 4.447 4.350 -0.000 0.000 0.275 91 E C 0.637 177.120 176.600 -0.195 0.000 1.030 91 E CA -0.346 55.940 56.400 -0.189 0.000 0.852 91 E CB 1.035 30.625 29.700 -0.184 0.000 1.060 91 E HN 0.692 nan 8.360 nan 0.000 0.401 92 N N 2.615 121.231 118.700 -0.140 0.000 2.137 92 N HA -0.266 4.474 4.740 -0.000 0.000 0.190 92 N C 1.240 176.683 175.510 -0.112 0.000 1.017 92 N CA 2.352 55.332 53.050 -0.116 0.000 0.859 92 N CB -0.496 37.939 38.487 -0.087 0.000 1.002 92 N HN 0.372 nan 8.380 nan 0.000 0.428 93 S N 0.234 115.859 115.700 -0.125 0.000 2.335 93 S HA -0.113 4.357 4.470 -0.000 0.000 0.216 93 S C 1.162 175.665 174.600 -0.162 0.000 1.032 93 S CA 0.943 59.075 58.200 -0.113 0.000 1.000 93 S CB -1.886 61.252 63.200 -0.103 0.000 0.928 93 S HN 0.670 nan 8.310 nan 0.000 0.434 94 T N 0.965 115.353 114.554 -0.277 0.000 2.718 94 T HA 0.014 4.364 4.350 -0.000 0.000 0.265 94 T C -0.259 174.107 174.700 -0.558 0.000 1.014 94 T CA 0.072 61.884 62.100 -0.480 0.000 1.172 94 T CB -1.189 67.259 68.868 -0.700 0.000 1.007 94 T HN 0.588 nan 8.240 nan 0.000 0.500 95 F N 1.532 121.350 119.950 -0.220 0.000 2.789 95 F HA -0.079 4.448 4.527 -0.000 0.000 0.373 95 F C 0.434 176.180 175.800 -0.090 0.000 1.009 95 F CA -0.040 57.837 58.000 -0.205 0.000 1.386 95 F CB -2.557 36.244 39.000 -0.332 0.000 1.670 95 F HN 0.680 nan 8.300 nan 0.000 0.660 96 D N 0.017 120.479 120.400 0.104 0.000 2.525 96 D HA 0.059 4.699 4.640 -0.000 0.000 0.248 96 D C 1.262 177.608 176.300 0.076 0.000 1.000 96 D CA 0.646 54.683 54.000 0.062 0.000 0.923 96 D CB 0.162 40.968 40.800 0.010 0.000 1.101 96 D HN 0.480 nan 8.370 nan 0.000 0.493 97 E N 0.035 120.288 120.200 0.088 0.000 2.301 97 E HA 0.021 4.371 4.350 -0.000 0.000 0.195 97 E C 0.522 177.189 176.600 0.111 0.000 1.171 97 E CA -0.241 56.200 56.400 0.067 0.000 1.142 97 E CB -0.089 29.641 29.700 0.050 0.000 1.218 97 E HN 0.090 nan 8.360 nan 0.000 0.448 98 F N -0.228 119.679 119.950 -0.071 0.000 2.317 98 F HA 0.187 4.713 4.527 -0.000 0.000 0.293 98 F C 1.834 177.461 175.800 -0.287 0.000 1.085 98 F CA 1.368 59.287 58.000 -0.135 0.000 1.390 98 F CB 0.308 39.215 39.000 -0.156 0.000 1.077 98 F HN 0.183 nan 8.300 nan 0.000 0.517 99 G N -0.685 107.842 108.800 -0.456 0.000 2.254 99 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.225 99 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.225 99 G C -0.064 174.281 174.900 -0.925 0.000 1.003 99 G CA 0.215 44.862 45.100 -0.754 0.000 0.622 99 G HN 0.597 nan 8.290 nan 0.000 0.507 100 H N 0.217 119.031 119.070 -0.427 0.000 2.865 100 H HA 0.702 5.258 4.556 -0.000 0.000 0.372 100 H C -0.119 175.184 175.328 -0.042 0.000 1.173 100 H CA -0.216 55.678 56.048 -0.256 0.000 1.147 100 H CB 1.532 31.027 29.762 -0.444 0.000 1.805 100 H HN 0.264 nan 8.280 nan 0.000 0.553 101 S N 1.154 116.939 115.700 0.142 0.000 2.523 101 S HA 0.309 4.779 4.470 -0.000 0.000 0.275 101 S C 0.137 174.828 174.600 0.153 0.000 1.281 101 S CA -0.677 57.593 58.200 0.116 0.000 1.050 101 S CB 0.275 63.521 63.200 0.075 0.000 0.937 101 S HN 0.388 nan 8.310 nan 0.000 0.492 102 I N 3.452 124.090 120.570 0.114 0.000 2.297 102 I HA 0.164 4.334 4.170 -0.000 0.000 0.291 102 I C 1.331 177.486 176.117 0.062 0.000 1.033 102 I CA -0.348 61.008 61.300 0.094 0.000 1.253 102 I CB 0.777 38.783 38.000 0.011 0.000 1.396 102 I HN 0.665 nan 8.210 nan 0.000 0.476 103 N N 4.025 122.759 118.700 0.056 0.000 2.250 103 N HA -0.057 4.683 4.740 -0.000 0.000 0.181 103 N C 0.026 175.539 175.510 0.005 0.000 1.017 103 N CA 1.265 54.303 53.050 -0.019 0.000 0.866 103 N CB 0.294 38.724 38.487 -0.096 0.000 0.985 103 N HN 0.582 nan 8.380 nan 0.000 0.429 104 D N -2.249 118.201 120.400 0.084 0.000 2.653 104 D HA 0.226 4.866 4.640 -0.000 0.000 0.258 104 D C -1.476 174.997 176.300 0.287 0.000 1.252 104 D CA -0.450 53.646 54.000 0.160 0.000 0.777 104 D CB 1.054 41.891 40.800 0.063 0.000 1.339 104 D HN 0.097 nan 8.370 nan 0.000 0.422 105 Y N -1.317 119.046 120.300 0.106 0.000 2.644 105 Y HA 0.753 5.303 4.550 -0.000 0.000 0.338 105 Y C -1.037 174.988 175.900 0.208 0.000 1.119 105 Y CA -0.955 57.239 58.100 0.156 0.000 1.060 105 Y CB 1.832 40.376 38.460 0.140 0.000 1.294 105 Y HN 0.212 nan 8.280 nan 0.000 0.472 106 S N 1.776 117.625 115.700 0.248 0.000 2.590 106 S HA 0.567 5.037 4.470 -0.000 0.000 0.286 106 S C -1.867 173.040 174.600 0.512 0.000 1.147 106 S CA -0.533 57.819 58.200 0.254 0.000 0.963 106 S CB 0.374 63.744 63.200 0.284 0.000 1.124 106 S HN 0.760 nan 8.310 nan 0.000 0.458 107 I N 3.575 124.308 120.570 0.271 0.000 2.437 107 I HA 0.375 4.545 4.170 -0.000 0.000 0.298 107 I C 0.802 176.655 176.117 -0.439 0.000 0.984 107 I CA -0.558 60.787 61.300 0.074 0.000 1.214 107 I CB 2.007 40.065 38.000 0.096 0.000 1.365 107 I HN 0.694 nan 8.210 nan 0.000 0.469 108 S N 6.432 121.547 115.700 -0.975 0.000 2.558 108 S HA -0.068 4.402 4.470 -0.000 0.000 0.297 108 S C -1.665 172.638 174.600 -0.495 0.000 1.283 108 S CA -0.573 56.920 58.200 -1.177 0.000 1.044 108 S CB -0.141 62.625 63.200 -0.722 0.000 0.789 108 S HN 0.509 nan 8.310 nan 0.000 0.500 109 P HA -0.054 nan 4.420 nan 0.000 0.221 109 P C -0.050 177.184 177.300 -0.111 0.000 1.145 109 P CA 1.139 64.151 63.100 -0.146 0.000 0.795 109 P CB 0.078 31.718 31.700 -0.100 0.000 0.775 110 D N -2.601 117.724 120.400 -0.125 0.000 2.696 110 D HA 0.336 4.976 4.640 -0.000 0.000 0.269 110 D C 1.217 177.479 176.300 -0.064 0.000 1.319 110 D CA 0.237 54.203 54.000 -0.057 0.000 0.826 110 D CB -0.247 40.552 40.800 -0.001 0.000 1.086 110 D HN -0.040 nan 8.370 nan 0.000 0.481 111 G N 0.765 109.502 108.800 -0.104 0.000 2.284 111 G HA2 -0.458 3.502 3.960 -0.000 0.000 0.261 111 G HA3 -0.458 3.502 3.960 -0.000 0.000 0.261 111 G C 1.247 176.135 174.900 -0.021 0.000 0.997 111 G CA 0.531 45.617 45.100 -0.023 0.000 0.621 111 G HN 0.416 nan 8.290 nan 0.000 0.534 112 Q N -1.161 118.527 119.800 -0.186 0.000 2.378 112 Q HA 0.435 4.775 4.340 -0.000 0.000 0.205 112 Q C 0.094 175.636 176.000 -0.763 0.000 0.954 112 Q CA 0.719 56.224 55.803 -0.497 0.000 0.901 112 Q CB 0.097 28.430 28.738 -0.675 0.000 0.981 112 Q HN 0.564 nan 8.270 nan 0.000 0.483 113 F N -1.228 118.621 119.950 -0.168 0.000 2.645 113 F HA 0.432 4.959 4.527 -0.000 0.000 0.310 113 F C -1.036 174.831 175.800 0.113 0.000 1.102 113 F CA -1.458 56.517 58.000 -0.043 0.000 0.952 113 F CB 1.608 40.584 39.000 -0.039 0.000 1.326 113 F HN -0.228 nan 8.300 nan 0.000 0.456 114 I N 2.858 123.788 120.570 0.600 0.000 2.529 114 I HA 0.395 4.565 4.170 -0.000 0.000 0.284 114 I C -1.785 174.703 176.117 0.618 0.000 1.088 114 I CA -0.333 61.332 61.300 0.609 0.000 1.062 114 I CB 1.068 39.382 38.000 0.523 0.000 1.218 114 I HN 0.470 nan 8.210 nan 0.000 0.442 115 L N 7.653 129.278 121.223 0.669 0.000 2.534 115 L HA 0.242 4.582 4.340 -0.000 0.000 0.271 115 L C -0.885 176.184 176.870 0.331 0.000 1.178 115 L CA 0.172 55.238 54.840 0.377 0.000 0.907 115 L CB 0.411 42.579 42.059 0.182 0.000 1.164 115 L HN 0.638 nan 8.230 nan 0.000 0.482 116 L N 4.343 125.718 121.223 0.254 0.000 2.305 116 L HA 0.471 4.811 4.340 -0.000 0.000 0.284 116 L C 0.088 177.075 176.870 0.195 0.000 1.013 116 L CA -0.408 54.526 54.840 0.158 0.000 0.819 116 L CB 1.593 43.576 42.059 -0.126 0.000 1.227 116 L HN 0.516 nan 8.230 nan 0.000 0.417 117 E N 2.881 123.152 120.200 0.118 0.000 2.301 117 E HA 0.493 4.843 4.350 -0.000 0.000 0.275 117 E C -1.543 175.081 176.600 0.040 0.000 1.030 117 E CA -0.437 55.884 56.400 -0.132 0.000 0.852 117 E CB 1.151 30.811 29.700 -0.067 0.000 1.060 117 E HN 0.537 nan 8.360 nan 0.000 0.401 118 Y N 0.753 120.881 120.300 -0.286 0.000 2.702 118 Y HA 0.284 4.834 4.550 -0.000 0.000 0.336 118 Y C -0.838 174.958 175.900 -0.174 0.000 1.203 118 Y CA -1.476 56.531 58.100 -0.155 0.000 1.072 118 Y CB 0.534 38.941 38.460 -0.087 0.000 1.327 118 Y HN 0.544 nan 8.280 nan 0.000 0.456 119 N N 0.762 119.465 118.700 0.006 0.000 2.714 119 N HA -0.302 4.438 4.740 -0.000 0.000 0.253 119 N C -1.090 174.379 175.510 -0.070 0.000 1.024 119 N CA 1.143 54.156 53.050 -0.062 0.000 0.726 119 N CB -1.195 37.185 38.487 -0.178 0.000 0.908 119 N HN 0.867 nan 8.380 nan 0.000 0.542 120 Y N 0.192 120.409 120.300 -0.138 0.000 2.544 120 Y HA 0.275 4.825 4.550 -0.000 0.000 0.330 120 Y C 0.178 176.030 175.900 -0.079 0.000 1.136 120 Y CA -0.109 57.906 58.100 -0.143 0.000 1.417 120 Y CB 0.709 39.045 38.460 -0.206 0.000 1.229 120 Y HN 0.035 nan 8.280 nan 0.000 0.532 121 V N 7.176 126.824 119.914 -0.443 0.000 2.487 121 V HA 0.309 4.429 4.120 -0.000 0.000 0.298 121 V C -0.281 175.468 176.094 -0.575 0.000 1.028 121 V CA -1.521 60.555 62.300 -0.374 0.000 0.860 121 V CB 1.558 33.261 31.823 -0.200 0.000 0.991 121 V HN 0.653 nan 8.190 nan 0.000 0.427 122 K N 2.698 122.838 120.400 -0.434 0.000 2.185 122 K HA 0.376 4.696 4.320 -0.000 0.000 0.271 122 K C 0.022 176.421 176.600 -0.334 0.000 1.013 122 K CA -0.183 55.899 56.287 -0.341 0.000 0.943 122 K CB 1.534 33.986 32.500 -0.079 0.000 0.998 122 K HN 0.747 nan 8.250 nan 0.000 0.468 123 Q N 1.430 120.991 119.800 -0.399 0.000 3.068 123 Q HA 0.178 4.518 4.340 -0.000 0.000 0.219 123 Q C 0.126 175.740 176.000 -0.643 0.000 1.163 123 Q CA -0.118 55.204 55.803 -0.803 0.000 0.316 123 Q CB 0.155 28.288 28.738 -1.008 0.000 5.753 123 Q HN 0.553 nan 8.270 nan 0.000 0.323 124 W N 0.457 121.733 121.300 -0.039 0.000 2.119 124 W HA 0.339 4.999 4.660 -0.000 0.000 0.530 124 W C 1.533 178.022 176.519 -0.049 0.000 1.988 124 W CA -0.650 56.691 57.345 -0.007 0.000 2.234 124 W CB -0.015 29.384 29.460 -0.102 0.000 2.045 124 W HN 0.374 nan 8.180 nan 0.000 0.754 125 R N -0.443 120.162 120.500 0.175 0.000 2.249 125 R HA -0.170 4.170 4.340 -0.000 0.000 0.230 125 R C 0.638 176.750 176.300 -0.314 0.000 1.121 125 R CA 2.067 58.110 56.100 -0.095 0.000 0.997 125 R CB -0.359 29.823 30.300 -0.197 0.000 0.867 125 R HN 0.664 nan 8.270 nan 0.000 0.465 126 H N -2.060 117.030 119.070 0.034 0.000 3.678 126 H HA 0.174 4.730 4.556 -0.000 0.000 0.246 126 H C 0.057 175.365 175.328 -0.033 0.000 1.016 126 H CA 0.273 56.335 56.048 0.023 0.000 1.104 126 H CB 0.689 30.427 29.762 -0.039 0.000 1.449 126 H HN 0.155 nan 8.280 nan 0.000 0.606 127 S N 0.856 116.481 115.700 -0.125 0.000 2.632 127 S HA 0.488 4.958 4.470 -0.000 0.000 0.271 127 S C -0.663 173.776 174.600 -0.269 0.000 1.260 127 S CA -0.541 57.324 58.200 -0.558 0.000 1.010 127 S CB 1.140 63.400 63.200 -1.566 0.000 0.965 127 S HN 0.397 nan 8.310 nan 0.000 0.534 128 Y N -2.896 117.286 120.300 -0.197 0.000 2.662 128 Y HA 0.705 5.255 4.550 -0.000 0.000 0.334 128 Y C -0.858 175.019 175.900 -0.038 0.000 1.185 128 Y CA -1.082 56.873 58.100 -0.241 0.000 1.074 128 Y CB 0.749 39.009 38.460 -0.335 0.000 1.330 128 Y HN 0.642 nan 8.280 nan 0.000 0.458 129 T N 1.412 116.031 114.554 0.110 0.000 2.940 129 T HA 0.961 5.311 4.350 -0.000 0.000 0.288 129 T C -0.880 173.915 174.700 0.158 0.000 1.033 129 T CA 0.256 62.451 62.100 0.160 0.000 1.033 129 T CB 1.214 70.102 68.868 0.034 0.000 1.079 129 T HN 1.399 nan 8.240 nan 0.000 0.496 130 A N 1.442 124.360 122.820 0.164 0.000 2.515 130 A HA 0.722 5.042 4.320 -0.000 0.000 0.292 130 A C -1.041 176.410 177.584 -0.221 0.000 1.065 130 A CA -0.729 51.282 52.037 -0.043 0.000 0.641 130 A CB 0.958 19.958 19.000 -0.001 0.000 1.306 130 A HN 0.682 nan 8.150 nan 0.000 0.441 131 S N -1.045 114.257 115.700 -0.663 0.000 2.648 131 S HA 0.924 5.394 4.470 -0.000 0.000 0.305 131 S C -1.525 172.358 174.600 -1.194 0.000 1.094 131 S CA -0.221 57.473 58.200 -0.843 0.000 0.983 131 S CB 1.027 63.568 63.200 -1.099 0.000 1.101 131 S HN 0.553 nan 8.310 nan 0.000 0.514 132 Y N -0.212 119.844 120.300 -0.406 0.000 2.581 132 Y HA 0.531 5.081 4.550 -0.000 0.000 0.337 132 Y C -0.953 175.014 175.900 0.112 0.000 1.108 132 Y CA -0.855 57.203 58.100 -0.070 0.000 1.033 132 Y CB 2.077 40.434 38.460 -0.171 0.000 1.318 132 Y HN 0.548 nan 8.280 nan 0.000 0.459 133 D N 1.075 121.678 120.400 0.339 0.000 2.837 133 D HA 0.554 5.194 4.640 -0.000 0.000 0.220 133 D C -1.409 175.013 176.300 0.203 0.000 1.236 133 D CA -0.323 53.831 54.000 0.257 0.000 0.838 133 D CB 2.224 43.225 40.800 0.335 0.000 1.647 133 D HN 0.377 nan 8.370 nan 0.000 0.486 134 I N 2.341 123.020 120.570 0.182 0.000 2.354 134 I HA 0.271 4.441 4.170 -0.000 0.000 0.292 134 I C -0.928 175.390 176.117 0.336 0.000 0.989 134 I CA -0.914 60.534 61.300 0.246 0.000 1.188 134 I CB 1.220 39.313 38.000 0.154 0.000 1.342 134 I HN 0.323 nan 8.210 nan 0.000 0.457 135 Y N 6.217 126.689 120.300 0.286 0.000 2.491 135 Y HA 0.248 4.798 4.550 -0.000 0.000 0.334 135 Y C 0.084 176.158 175.900 0.290 0.000 0.969 135 Y CA -0.804 57.466 58.100 0.283 0.000 1.241 135 Y CB 0.566 39.242 38.460 0.361 0.000 1.105 135 Y HN 0.508 nan 8.280 nan 0.000 0.503 136 D N 5.755 126.020 120.400 -0.224 0.000 2.382 136 D HA 0.002 4.642 4.640 -0.000 0.000 0.259 136 D C 0.544 176.429 176.300 -0.691 0.000 1.224 136 D CA 0.569 54.380 54.000 -0.315 0.000 0.894 136 D CB 0.951 41.681 40.800 -0.117 0.000 1.127 136 D HN 0.827 nan 8.370 nan 0.000 0.487 137 L N 3.775 124.672 121.223 -0.543 0.000 2.127 137 L HA -0.080 4.260 4.340 -0.000 0.000 0.203 137 L C 2.083 178.755 176.870 -0.330 0.000 1.080 137 L CA 0.250 54.867 54.840 -0.373 0.000 0.768 137 L CB -0.284 41.646 42.059 -0.215 0.000 0.924 137 L HN 0.412 nan 8.230 nan 0.000 0.444 138 N N 1.483 119.969 118.700 -0.356 0.000 2.104 138 N HA -0.191 4.549 4.740 -0.000 0.000 0.190 138 N C 0.786 176.169 175.510 -0.211 0.000 1.024 138 N CA 1.372 54.271 53.050 -0.253 0.000 0.853 138 N CB -0.316 38.026 38.487 -0.242 0.000 1.008 138 N HN 0.450 nan 8.380 nan 0.000 0.424 139 K N 1.292 121.547 120.400 -0.241 0.000 2.969 139 K HA 0.285 4.605 4.320 -0.000 0.000 0.222 139 K C -0.331 176.156 176.600 -0.188 0.000 1.172 139 K CA -0.415 55.766 56.287 -0.176 0.000 1.192 139 K CB 0.309 32.727 32.500 -0.138 0.000 1.111 139 K HN -0.073 nan 8.250 nan 0.000 0.457 140 R N 3.029 123.415 120.500 -0.191 0.000 1.568 140 R HA -0.250 4.090 4.340 -0.000 0.000 0.169 140 R C -0.343 175.936 176.300 -0.037 0.000 0.451 140 R CA 1.120 57.166 56.100 -0.091 0.000 0.345 140 R CB -1.060 29.251 30.300 0.018 0.000 1.666 140 R HN 0.729 nan 8.270 nan 0.000 0.572 141 Q N 0.793 120.381 119.800 -0.354 0.000 2.776 141 Q HA 0.250 4.590 4.340 -0.000 0.000 0.289 141 Q C -1.665 174.268 176.000 -0.112 0.000 0.912 141 Q CA -0.898 54.893 55.803 -0.020 0.000 0.789 141 Q CB 0.960 29.698 28.738 0.000 0.000 1.498 141 Q HN 0.257 nan 8.270 nan 0.000 0.408 142 L N 2.707 124.055 121.223 0.207 0.000 2.312 142 L HA 0.463 4.803 4.340 -0.000 0.000 0.281 142 L C 0.440 177.391 176.870 0.134 0.000 1.070 142 L CA -0.948 54.035 54.840 0.238 0.000 0.805 142 L CB 1.076 43.323 42.059 0.314 0.000 1.174 142 L HN 0.664 nan 8.230 nan 0.000 0.434 143 I N -0.255 120.394 120.570 0.131 0.000 2.556 143 I HA 0.093 4.263 4.170 -0.000 0.000 0.284 143 I C 0.634 176.801 176.117 0.083 0.000 1.114 143 I CA 0.679 62.035 61.300 0.094 0.000 1.418 143 I CB 0.988 39.038 38.000 0.082 0.000 1.394 143 I HN 0.506 nan 8.210 nan 0.000 0.552 144 T N 4.769 119.357 114.554 0.058 0.000 3.182 144 T HA 0.302 4.652 4.350 -0.000 0.000 0.277 144 T C -0.472 174.239 174.700 0.018 0.000 1.013 144 T CA -0.166 61.964 62.100 0.049 0.000 0.900 144 T CB -0.500 68.399 68.868 0.051 0.000 1.098 144 T HN 0.911 nan 8.240 nan 0.000 0.543 145 E N -0.283 119.917 120.200 0.000 0.000 2.407 145 E HA 0.518 4.868 4.350 -0.000 0.000 0.279 145 E C -0.627 175.944 176.600 -0.048 0.000 1.012 145 E CA -0.957 55.428 56.400 -0.024 0.000 0.800 145 E CB 0.641 30.332 29.700 -0.015 0.000 1.276 145 E HN -0.268 nan 8.360 nan 0.000 0.452 146 E N 0.014 120.169 120.200 -0.076 0.000 2.805 146 E HA -0.237 4.112 4.350 -0.000 0.000 0.266 146 E C -0.582 175.930 176.600 -0.147 0.000 1.092 146 E CA 0.885 57.219 56.400 -0.110 0.000 0.781 146 E CB -1.362 28.285 29.700 -0.089 0.000 1.379 146 E HN 0.548 nan 8.360 nan 0.000 0.433 147 R N 0.174 120.592 120.500 -0.137 0.000 2.619 147 R HA 0.052 4.392 4.340 -0.000 0.000 0.268 147 R C 1.250 177.369 176.300 -0.302 0.000 0.990 147 R CA 0.197 56.201 56.100 -0.160 0.000 1.092 147 R CB 0.159 30.391 30.300 -0.113 0.000 0.935 147 R HN 0.158 nan 8.270 nan 0.000 0.415 148 I N 4.482 124.829 120.570 -0.372 0.000 2.948 148 I HA -0.114 4.056 4.170 -0.000 0.000 0.303 148 I C -1.636 174.135 176.117 -0.577 0.000 1.224 148 I CA -0.916 59.992 61.300 -0.653 0.000 1.442 148 I CB -0.068 37.572 38.000 -0.600 0.000 1.328 148 I HN 0.316 nan 8.210 nan 0.000 0.578 149 P HA 0.170 nan 4.420 nan 0.000 0.276 149 P C -1.012 176.016 177.300 -0.453 0.000 1.252 149 P CA -0.541 62.085 63.100 -0.789 0.000 0.802 149 P CB 0.456 31.180 31.700 -1.627 0.000 1.035 150 N N 1.655 120.197 118.700 -0.263 0.000 2.467 150 N HA 0.092 4.832 4.740 -0.000 0.000 0.262 150 N C 0.207 175.781 175.510 0.106 0.000 1.234 150 N CA 0.046 53.036 53.050 -0.100 0.000 0.952 150 N CB -0.424 38.014 38.487 -0.080 0.000 1.158 150 N HN 0.384 nan 8.380 nan 0.000 0.463 151 N N -1.067 117.697 118.700 0.108 0.000 2.758 151 N HA -0.155 4.585 4.740 -0.000 0.000 0.248 151 N C -0.910 174.843 175.510 0.406 0.000 1.076 151 N CA 0.710 53.885 53.050 0.209 0.000 0.696 151 N CB -1.747 36.858 38.487 0.195 0.000 0.979 151 N HN 0.471 nan 8.380 nan 0.000 0.550 152 T N 0.687 115.437 114.554 0.327 0.000 2.832 152 T HA 0.170 4.520 4.350 -0.000 0.000 0.296 152 T C 1.661 176.543 174.700 0.304 0.000 0.968 152 T CA -0.013 62.282 62.100 0.325 0.000 1.107 152 T CB 1.163 70.121 68.868 0.150 0.000 0.916 152 T HN 0.176 nan 8.240 nan 0.000 0.517 153 Q N 2.130 122.081 119.800 0.252 0.000 2.376 153 Q HA 0.205 4.545 4.340 -0.000 0.000 0.206 153 Q C 0.122 176.205 176.000 0.139 0.000 0.921 153 Q CA 0.313 56.233 55.803 0.195 0.000 0.911 153 Q CB 0.935 29.735 28.738 0.103 0.000 1.032 153 Q HN 0.701 nan 8.270 nan 0.000 0.510 154 W N -0.204 121.005 121.300 -0.151 0.000 3.275 154 W HA 0.456 5.116 4.660 -0.000 0.000 0.306 154 W C -2.148 174.281 176.519 -0.150 0.000 1.259 154 W CA -0.832 56.394 57.345 -0.198 0.000 1.194 154 W CB 1.327 30.580 29.460 -0.344 0.000 1.375 154 W HN -0.321 nan 8.180 nan 0.000 0.564 155 V N 1.723 121.029 119.914 -1.013 0.000 2.969 155 V HA 0.731 4.850 4.120 -0.000 0.000 0.304 155 V C -0.643 174.850 176.094 -1.002 0.000 1.192 155 V CA -0.776 61.013 62.300 -0.852 0.000 0.962 155 V CB 1.581 32.827 31.823 -0.961 0.000 1.045 155 V HN 0.508 nan 8.190 nan 0.000 0.428 156 T N 0.367 114.613 114.554 -0.513 0.000 3.032 156 T HA 0.478 4.828 4.350 -0.000 0.000 0.312 156 T C -0.863 173.805 174.700 -0.053 0.000 1.078 156 T CA -0.518 61.447 62.100 -0.225 0.000 1.028 156 T CB 1.097 70.062 68.868 0.162 0.000 1.091 156 T HN 0.631 nan 8.240 nan 0.000 0.457 157 W N 2.267 123.527 121.300 -0.065 0.000 2.079 157 W HA 0.388 5.048 4.660 -0.000 0.000 0.354 157 W C 1.263 177.498 176.519 -0.473 0.000 1.302 157 W CA -0.557 56.694 57.345 -0.156 0.000 1.281 157 W CB 0.526 29.923 29.460 -0.105 0.000 1.165 157 W HN 0.788 nan 8.180 nan 0.000 0.603 158 S N 1.045 116.370 115.700 -0.626 0.000 2.634 158 S HA 0.225 4.695 4.470 -0.000 0.000 0.261 158 S C -1.965 172.323 174.600 -0.519 0.000 1.271 158 S CA -1.077 56.253 58.200 -1.450 0.000 0.985 158 S CB 0.636 62.866 63.200 -1.616 0.000 0.968 158 S HN 0.289 nan 8.310 nan 0.000 0.568 159 P HA 0.227 nan 4.420 nan 0.000 0.255 159 P C -0.664 176.576 177.300 -0.101 0.000 1.301 159 P CA 0.032 63.068 63.100 -0.107 0.000 0.817 159 P CB -0.256 31.444 31.700 0.000 0.000 1.259 160 V N -5.384 114.429 119.914 -0.168 0.000 2.882 160 V HA 0.782 4.902 4.120 -0.000 0.000 0.295 160 V C 0.240 176.244 176.094 -0.149 0.000 1.273 160 V CA -0.492 61.737 62.300 -0.118 0.000 0.949 160 V CB 1.027 32.797 31.823 -0.089 0.000 1.071 160 V HN 0.358 nan 8.190 nan 0.000 0.432 161 G N 3.304 112.048 108.800 -0.094 0.000 2.601 161 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.252 161 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.252 161 G C 0.064 174.926 174.900 -0.064 0.000 1.294 161 G CA 0.594 45.653 45.100 -0.068 0.000 0.912 161 G HN 2.515 nan 8.290 nan 0.000 0.574 162 H N -0.223 118.826 119.070 -0.035 0.000 2.587 162 H HA 0.514 5.070 4.556 -0.000 0.000 0.245 162 H C 0.500 175.963 175.328 0.225 0.000 1.238 162 H CA -0.164 55.920 56.048 0.060 0.000 0.963 162 H CB -0.258 29.551 29.762 0.079 0.000 1.904 162 H HN 0.501 nan 8.280 nan 0.000 0.584 163 K N 1.220 121.593 120.400 -0.045 0.000 2.230 163 K HA 0.443 4.763 4.320 -0.000 0.000 0.253 163 K C -0.297 176.390 176.600 0.144 0.000 1.008 163 K CA -0.214 56.076 56.287 0.006 0.000 0.910 163 K CB 1.100 33.535 32.500 -0.108 0.000 0.994 163 K HN 0.196 nan 8.250 nan 0.000 0.495 164 L N 0.976 122.303 121.223 0.174 0.000 2.408 164 L HA 0.560 4.900 4.340 -0.000 0.000 0.268 164 L C -1.148 175.882 176.870 0.266 0.000 0.986 164 L CA -0.831 54.081 54.840 0.120 0.000 0.820 164 L CB 2.189 44.188 42.059 -0.100 0.000 1.303 164 L HN 0.685 nan 8.230 nan 0.000 0.411 165 A N 2.916 125.903 122.820 0.278 0.000 2.319 165 A HA 0.758 5.077 4.320 -0.000 0.000 0.310 165 A C -1.511 176.059 177.584 -0.023 0.000 1.152 165 A CA -0.371 51.720 52.037 0.090 0.000 0.783 165 A CB 0.805 19.812 19.000 0.010 0.000 1.184 165 A HN 0.610 nan 8.150 nan 0.000 0.474 166 Y N 0.219 120.460 120.300 -0.098 0.000 2.545 166 Y HA 0.796 5.346 4.550 -0.000 0.000 0.348 166 Y C -1.136 174.756 175.900 -0.014 0.000 1.002 166 Y CA -1.772 56.235 58.100 -0.155 0.000 1.039 166 Y CB 1.246 39.554 38.460 -0.253 0.000 1.271 166 Y HN 0.395 nan 8.280 nan 0.000 0.467 167 V N 3.524 123.554 119.914 0.193 0.000 2.495 167 V HA 0.498 4.618 4.120 -0.000 0.000 0.298 167 V C -1.660 174.658 176.094 0.373 0.000 1.031 167 V CA -0.590 61.821 62.300 0.186 0.000 0.871 167 V CB 1.539 33.374 31.823 0.020 0.000 0.988 167 V HN 0.899 nan 8.190 nan 0.000 0.432 168 W N 6.185 127.588 121.300 0.171 0.000 3.259 168 W HA 0.428 5.088 4.660 -0.000 0.000 0.331 168 W C 0.129 176.708 176.519 0.100 0.000 1.144 168 W CA -0.727 56.697 57.345 0.130 0.000 1.227 168 W CB 1.098 30.637 29.460 0.131 0.000 1.371 168 W HN 0.736 nan 8.180 nan 0.000 0.491 169 N N 4.801 123.220 118.700 -0.469 0.000 2.735 169 N HA -0.318 4.422 4.740 -0.000 0.000 0.248 169 N C 0.218 175.571 175.510 -0.261 0.000 1.083 169 N CA 1.358 54.065 53.050 -0.572 0.000 0.703 169 N CB -0.759 37.076 38.487 -1.085 0.000 1.005 169 N HN 0.828 nan 8.380 nan 0.000 0.550 170 N N -0.942 117.678 118.700 -0.134 0.000 2.900 170 N HA -0.161 4.579 4.740 -0.000 0.000 0.240 170 N C -1.270 174.180 175.510 -0.099 0.000 0.953 170 N CA 1.879 54.868 53.050 -0.102 0.000 0.950 170 N CB -0.521 37.863 38.487 -0.173 0.000 1.102 170 N HN 0.526 nan 8.380 nan 0.000 0.593 171 D N -0.093 120.262 120.400 -0.075 0.000 2.269 171 D HA 0.454 5.094 4.640 -0.000 0.000 0.244 171 D C 0.554 176.723 176.300 -0.219 0.000 0.992 171 D CA -0.431 53.461 54.000 -0.179 0.000 0.894 171 D CB 1.189 41.842 40.800 -0.245 0.000 1.248 171 D HN 0.023 nan 8.370 nan 0.000 0.468 172 I N 1.763 122.058 120.570 -0.459 0.000 2.395 172 I HA 0.161 4.331 4.170 -0.000 0.000 0.289 172 I C -0.620 175.067 176.117 -0.717 0.000 1.023 172 I CA -0.245 60.759 61.300 -0.492 0.000 1.350 172 I CB 0.385 38.035 38.000 -0.584 0.000 1.409 172 I HN 0.159 nan 8.210 nan 0.000 0.507 173 Y N 4.507 124.445 120.300 -0.603 0.000 2.570 173 Y HA 0.703 5.253 4.550 -0.000 0.000 0.345 173 Y C -0.259 175.260 175.900 -0.636 0.000 1.014 173 Y CA -0.888 56.809 58.100 -0.671 0.000 1.063 173 Y CB 2.044 39.896 38.460 -1.013 0.000 1.272 173 Y HN 0.132 nan 8.280 nan 0.000 0.477 174 V N 2.092 121.932 119.914 -0.123 0.000 2.888 174 V HA 0.466 4.586 4.120 -0.000 0.000 0.309 174 V C -1.237 174.965 176.094 0.180 0.000 1.114 174 V CA -1.274 61.047 62.300 0.035 0.000 0.940 174 V CB 2.486 34.362 31.823 0.088 0.000 1.021 174 V HN 0.663 nan 8.190 nan 0.000 0.426 175 K N 4.282 124.792 120.400 0.185 0.000 2.345 175 K HA 0.534 4.854 4.320 -0.000 0.000 0.255 175 K C -0.010 176.691 176.600 0.169 0.000 0.934 175 K CA -0.780 55.604 56.287 0.161 0.000 0.801 175 K CB 2.026 34.581 32.500 0.091 0.000 1.137 175 K HN 0.410 nan 8.250 nan 0.000 0.424 176 I N 0.852 121.530 120.570 0.180 0.000 3.035 176 I HA 0.062 4.232 4.170 -0.000 0.000 0.271 176 I C 0.209 176.380 176.117 0.090 0.000 1.190 176 I CA 1.033 62.412 61.300 0.132 0.000 1.472 176 I CB -0.329 37.770 38.000 0.165 0.000 1.116 176 I HN 0.521 nan 8.210 nan 0.000 0.443 177 E N 0.357 120.614 120.200 0.095 0.000 2.272 177 E HA 0.310 4.660 4.350 -0.000 0.000 0.269 177 E C -1.955 174.641 176.600 -0.006 0.000 0.877 177 E CA -1.968 54.490 56.400 0.097 0.000 0.755 177 E CB 2.059 31.828 29.700 0.115 0.000 1.192 177 E HN -0.184 nan 8.360 nan 0.000 0.422 178 P HA -0.169 nan 4.420 nan 0.000 0.220 178 P C 0.914 178.149 177.300 -0.109 0.000 1.144 178 P CA 1.274 64.230 63.100 -0.240 0.000 0.800 178 P CB 0.359 31.660 31.700 -0.665 0.000 0.772 179 N N -1.407 117.266 118.700 -0.044 0.000 2.388 179 N HA -0.013 4.727 4.740 -0.000 0.000 0.176 179 N C 0.320 175.817 175.510 -0.021 0.000 1.062 179 N CA 0.278 53.321 53.050 -0.011 0.000 0.895 179 N CB -0.363 38.142 38.487 0.031 0.000 1.018 179 N HN -0.002 nan 8.380 nan 0.000 0.456 180 L N 2.988 124.201 121.223 -0.017 0.000 2.439 180 L HA 0.389 4.729 4.340 -0.000 0.000 0.269 180 L C -1.849 174.971 176.870 -0.083 0.000 1.179 180 L CA -2.183 52.635 54.840 -0.037 0.000 0.828 180 L CB -0.188 41.861 42.059 -0.017 0.000 1.106 180 L HN 0.071 nan 8.230 nan 0.000 0.467 181 P HA 0.063 nan 4.420 nan 0.000 0.269 181 P C -0.428 176.724 177.300 -0.247 0.000 1.217 181 P CA -0.205 62.800 63.100 -0.158 0.000 0.783 181 P CB 0.361 31.969 31.700 -0.154 0.000 0.898 182 S N 0.926 116.516 115.700 -0.182 0.000 2.646 182 S HA 0.452 4.921 4.470 -0.000 0.000 0.273 182 S C -0.508 173.905 174.600 -0.312 0.000 1.168 182 S CA -0.273 57.849 58.200 -0.131 0.000 1.013 182 S CB 0.035 63.294 63.200 0.098 0.000 1.098 182 S HN 0.414 nan 8.310 nan 0.000 0.544 183 Y N -0.568 119.771 120.300 0.065 0.000 2.425 183 Y HA 0.497 5.046 4.550 -0.000 0.000 0.344 183 Y C 0.590 176.426 175.900 -0.106 0.000 0.969 183 Y CA -0.936 57.170 58.100 0.011 0.000 1.052 183 Y CB 1.409 39.870 38.460 0.002 0.000 1.215 183 Y HN 0.453 nan 8.280 nan 0.000 0.451 184 R N 2.407 122.857 120.500 -0.085 0.000 2.543 184 R HA 0.255 4.595 4.340 -0.000 0.000 0.277 184 R C 0.017 176.126 176.300 -0.319 0.000 1.074 184 R CA 0.182 55.938 56.100 -0.574 0.000 1.076 184 R CB 0.537 30.220 30.300 -1.030 0.000 0.993 184 R HN 0.720 nan 8.270 nan 0.000 0.459 185 I N 0.338 120.631 120.570 -0.462 0.000 3.673 185 I HA 0.010 4.180 4.170 -0.000 0.000 0.281 185 I C 1.020 177.034 176.117 -0.171 0.000 1.182 185 I CA 0.838 61.996 61.300 -0.237 0.000 1.391 185 I CB -0.288 37.529 38.000 -0.305 0.000 1.383 185 I HN 0.597 nan 8.210 nan 0.000 0.456 186 T N -3.066 111.286 114.554 -0.336 0.000 2.887 186 T HA 0.426 4.776 4.350 -0.000 0.000 0.288 186 T C -0.863 173.758 174.700 -0.132 0.000 1.021 186 T CA -0.418 61.581 62.100 -0.168 0.000 1.000 186 T CB 2.006 70.669 68.868 -0.343 0.000 1.034 186 T HN 0.165 nan 8.240 nan 0.000 0.467 187 W N 0.649 121.831 121.300 -0.197 0.000 2.653 187 W HA 0.288 4.948 4.660 -0.000 0.000 0.391 187 W C 1.390 177.842 176.519 -0.111 0.000 0.962 187 W CA -0.591 56.670 57.345 -0.140 0.000 1.900 187 W CB -0.398 29.006 29.460 -0.093 0.000 1.176 187 W HN 0.851 nan 8.180 nan 0.000 0.582 188 T N -2.033 112.560 114.554 0.066 0.000 3.086 188 T HA 0.250 4.600 4.350 -0.000 0.000 0.250 188 T C 1.293 175.984 174.700 -0.015 0.000 1.074 188 T CA 0.124 62.239 62.100 0.025 0.000 0.988 188 T CB 0.055 68.925 68.868 0.004 0.000 0.988 188 T HN 0.065 nan 8.240 nan 0.000 0.530 189 G N 1.450 110.219 108.800 -0.051 0.000 2.353 189 G HA2 0.383 4.343 3.960 -0.000 0.000 0.239 189 G HA3 0.383 4.343 3.960 -0.000 0.000 0.239 189 G C -0.482 174.357 174.900 -0.101 0.000 1.295 189 G CA -0.267 44.777 45.100 -0.093 0.000 0.884 189 G HN 0.319 nan 8.290 nan 0.000 0.537 190 K N 1.907 122.224 120.400 -0.139 0.000 2.587 190 K HA 0.093 4.413 4.320 -0.000 0.000 0.256 190 K C -0.387 176.093 176.600 -0.200 0.000 0.974 190 K CA -0.622 55.583 56.287 -0.137 0.000 0.855 190 K CB 1.767 34.219 32.500 -0.079 0.000 1.292 190 K HN 0.733 nan 8.250 nan 0.000 0.444 191 E N 2.779 122.869 120.200 -0.185 0.000 3.056 191 E HA -0.203 4.147 4.350 -0.000 0.000 0.264 191 E C -0.480 176.019 176.600 -0.168 0.000 0.899 191 E CA 1.308 57.600 56.400 -0.180 0.000 0.966 191 E CB 0.145 29.780 29.700 -0.109 0.000 0.913 191 E HN 0.559 nan 8.360 nan 0.000 0.522 192 D N 2.193 122.463 120.400 -0.217 0.000 3.077 192 D HA -0.241 4.399 4.640 -0.000 0.000 0.217 192 D C 0.370 176.676 176.300 0.011 0.000 1.162 192 D CA 1.642 55.633 54.000 -0.015 0.000 0.943 192 D CB -0.993 39.847 40.800 0.067 0.000 1.122 192 D HN 0.507 nan 8.370 nan 0.000 0.413 193 I N -1.354 119.122 120.570 -0.156 0.000 3.620 193 I HA 0.064 4.234 4.170 -0.000 0.000 0.255 193 I C 0.278 176.430 176.117 0.058 0.000 1.124 193 I CA -0.243 61.065 61.300 0.013 0.000 1.526 193 I CB 0.526 38.525 38.000 -0.002 0.000 1.681 193 I HN -0.194 nan 8.210 nan 0.000 0.420 194 I N 2.135 122.673 120.570 -0.053 0.000 2.312 194 I HA 0.219 4.389 4.170 -0.000 0.000 0.290 194 I C -1.262 174.817 176.117 -0.062 0.000 1.008 194 I CA -0.418 60.903 61.300 0.035 0.000 1.226 194 I CB 0.194 38.209 38.000 0.025 0.000 1.371 194 I HN 0.097 nan 8.210 nan 0.000 0.468 195 Y N 5.067 125.465 120.300 0.163 0.000 2.434 195 Y HA 0.352 4.902 4.550 -0.000 0.000 0.341 195 Y C 0.433 176.436 175.900 0.173 0.000 0.965 195 Y CA -0.696 57.513 58.100 0.181 0.000 1.205 195 Y CB 0.563 39.185 38.460 0.270 0.000 1.121 195 Y HN 0.412 nan 8.280 nan 0.000 0.507 196 N N 2.418 121.198 118.700 0.133 0.000 2.437 196 N HA 0.352 5.092 4.740 -0.000 0.000 0.259 196 N C 0.947 176.423 175.510 -0.058 0.000 0.983 196 N CA 0.419 53.456 53.050 -0.022 0.000 0.937 196 N CB 1.706 40.052 38.487 -0.234 0.000 1.122 196 N HN 0.940 nan 8.380 nan 0.000 0.499 197 G N 1.374 110.183 108.800 0.013 0.000 2.199 197 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.254 197 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.254 197 G C 0.044 174.900 174.900 -0.074 0.000 0.982 197 G CA 0.585 45.660 45.100 -0.042 0.000 0.632 197 G HN 0.653 nan 8.290 nan 0.000 0.529 198 I N -1.243 119.325 120.570 -0.003 0.000 2.730 198 I HA 0.807 4.977 4.170 -0.000 0.000 0.298 198 I C 0.291 176.426 176.117 0.030 0.000 1.089 198 I CA -0.631 60.581 61.300 -0.148 0.000 1.041 198 I CB 2.051 39.799 38.000 -0.421 0.000 1.235 198 I HN 0.183 nan 8.210 nan 0.000 0.423 199 T N 0.059 114.511 114.554 -0.170 0.000 2.913 199 T HA 0.373 4.723 4.350 -0.000 0.000 0.287 199 T C -0.003 174.369 174.700 -0.547 0.000 1.008 199 T CA -0.621 61.053 62.100 -0.709 0.000 1.067 199 T CB 1.106 69.702 68.868 -0.455 0.000 0.996 199 T HN 0.794 nan 8.240 nan 0.000 0.513 200 D N 0.796 120.613 120.400 -0.972 0.000 2.348 200 D HA 0.002 4.642 4.640 -0.000 0.000 0.272 200 D C 1.093 177.245 176.300 -0.246 0.000 1.237 200 D CA -0.821 52.683 54.000 -0.827 0.000 1.042 200 D CB -0.125 40.099 40.800 -0.960 0.000 1.117 200 D HN 0.697 nan 8.370 nan 0.000 0.548 201 W N -0.137 121.010 121.300 -0.256 0.000 2.348 201 W HA -0.213 4.447 4.660 -0.000 0.000 0.324 201 W C 2.414 178.784 176.519 -0.249 0.000 1.209 201 W CA 3.014 60.201 57.345 -0.263 0.000 1.275 201 W CB -0.654 28.590 29.460 -0.359 0.000 1.175 201 W HN 0.184 nan 8.180 nan 0.000 0.461 202 V N -1.316 118.757 119.914 0.265 0.000 2.324 202 V HA -0.378 3.742 4.120 -0.000 0.000 0.250 202 V C 1.819 177.806 176.094 -0.177 0.000 1.060 202 V CA 2.063 64.395 62.300 0.053 0.000 1.042 202 V CB -1.866 29.929 31.823 -0.048 0.000 0.650 202 V HN 0.373 nan 8.190 nan 0.000 0.450 203 Y N 1.300 121.479 120.300 -0.202 0.000 2.220 203 Y HA -0.130 4.420 4.550 -0.000 0.000 0.291 203 Y C 2.863 178.660 175.900 -0.173 0.000 1.129 203 Y CA 2.095 60.090 58.100 -0.174 0.000 1.161 203 Y CB -0.132 38.155 38.460 -0.288 0.000 0.997 203 Y HN 0.398 nan 8.280 nan 0.000 0.522 204 E N 0.426 120.553 120.200 -0.121 0.000 2.058 204 E HA -0.307 4.043 4.350 -0.000 0.000 0.194 204 E C 1.989 178.455 176.600 -0.225 0.000 0.997 204 E CA 1.736 58.034 56.400 -0.171 0.000 0.801 204 E CB -0.083 29.487 29.700 -0.216 0.000 0.746 204 E HN 0.448 nan 8.360 nan 0.000 0.450 205 E N 0.276 120.217 120.200 -0.431 0.000 2.008 205 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 205 E C 1.960 178.463 176.600 -0.161 0.000 0.986 205 E CA 1.754 57.926 56.400 -0.380 0.000 0.807 205 E CB 0.033 29.251 29.700 -0.804 0.000 0.766 205 E HN 0.276 nan 8.360 nan 0.000 0.450 206 E N -0.366 119.740 120.200 -0.158 0.000 2.318 206 E HA -0.006 4.344 4.350 -0.000 0.000 0.193 206 E C 1.997 178.522 176.600 -0.125 0.000 0.998 206 E CA 0.572 56.944 56.400 -0.047 0.000 0.859 206 E CB 0.550 30.263 29.700 0.022 0.000 0.812 206 E HN 0.219 nan 8.360 nan 0.000 0.492 207 V N -0.495 119.301 119.914 -0.198 0.000 2.735 207 V HA 0.034 4.154 4.120 -0.000 0.000 0.234 207 V C 1.313 177.217 176.094 -0.316 0.000 1.121 207 V CA 0.739 62.857 62.300 -0.303 0.000 1.160 207 V CB -0.269 31.316 31.823 -0.397 0.000 0.908 207 V HN 0.028 nan 8.190 nan 0.000 0.495 208 F N 0.753 120.710 119.950 0.012 0.000 2.641 208 F HA 0.313 4.840 4.527 -0.000 0.000 0.302 208 F C 1.401 177.121 175.800 -0.134 0.000 1.098 208 F CA -0.148 57.859 58.000 0.013 0.000 1.318 208 F CB -0.367 38.687 39.000 0.090 0.000 1.035 208 F HN 0.006 nan 8.300 nan 0.000 0.551 209 S N 1.473 117.111 115.700 -0.102 0.000 3.268 209 S HA 0.011 4.481 4.470 -0.000 0.000 0.347 209 S C 0.205 174.312 174.600 -0.822 0.000 0.925 209 S CA 0.500 58.435 58.200 -0.442 0.000 1.286 209 S CB -1.463 61.586 63.200 -0.250 0.000 0.890 209 S HN 0.627 nan 8.310 nan 0.000 0.495 210 A N -0.043 122.473 122.820 -0.506 0.000 2.567 210 A HA 0.634 4.954 4.320 -0.000 0.000 0.291 210 A C -0.320 177.138 177.584 -0.210 0.000 1.048 210 A CA -0.575 51.234 52.037 -0.379 0.000 0.661 210 A CB 0.149 18.984 19.000 -0.276 0.000 1.288 210 A HN 0.239 nan 8.150 nan 0.000 0.424 211 Y N 1.007 121.020 120.300 -0.479 0.000 2.389 211 Y HA 0.270 4.820 4.550 -0.000 0.000 0.292 211 Y C 1.606 177.119 175.900 -0.644 0.000 1.117 211 Y CA 0.837 58.647 58.100 -0.483 0.000 1.195 211 Y CB -0.029 38.120 38.460 -0.519 0.000 1.076 211 Y HN 0.693 nan 8.280 nan 0.000 0.548 212 S N 1.105 116.233 115.700 -0.953 0.000 2.544 212 S HA 0.363 4.833 4.470 -0.000 0.000 0.290 212 S C 0.183 174.360 174.600 -0.706 0.000 1.276 212 S CA 0.260 57.850 58.200 -1.017 0.000 1.075 212 S CB -0.059 62.568 63.200 -0.956 0.000 0.849 212 S HN 0.404 nan 8.310 nan 0.000 0.494 213 A N 6.023 128.497 122.820 -0.577 0.000 3.248 213 A HA 0.605 4.924 4.320 -0.000 0.000 0.315 213 A C -1.024 176.161 177.584 -0.665 0.000 0.974 213 A CA -0.454 51.146 52.037 -0.729 0.000 0.939 213 A CB -0.086 18.892 19.000 -0.038 0.000 1.061 213 A HN 0.595 nan 8.150 nan 0.000 0.481 214 L N 0.609 121.267 121.223 -0.941 0.000 2.464 214 L HA 0.616 4.956 4.340 -0.000 0.000 0.266 214 L C -1.387 175.258 176.870 -0.375 0.000 0.965 214 L CA -0.681 53.962 54.840 -0.328 0.000 0.833 214 L CB 1.458 43.430 42.059 -0.145 0.000 1.296 214 L HN 0.546 nan 8.230 nan 0.000 0.405 215 W N 3.305 124.681 121.300 0.126 0.000 2.587 215 W HA 0.236 4.896 4.660 -0.000 0.000 0.324 215 W C -0.858 175.901 176.519 0.399 0.000 1.008 215 W CA -0.982 56.547 57.345 0.305 0.000 1.265 215 W CB 1.416 31.091 29.460 0.359 0.000 1.328 215 W HN 0.501 nan 8.180 nan 0.000 0.432 216 W N 1.890 123.457 121.300 0.445 0.000 2.190 216 W HA 0.206 4.866 4.660 -0.000 0.000 0.330 216 W C 1.248 177.741 176.519 -0.044 0.000 1.299 216 W CA 0.623 58.103 57.345 0.224 0.000 1.215 216 W CB 0.924 30.463 29.460 0.133 0.000 1.147 216 W HN 0.110 nan 8.180 nan 0.000 0.563 217 S N 3.208 118.822 115.700 -0.143 0.000 2.580 217 S HA 0.077 4.547 4.470 -0.000 0.000 0.266 217 S C -1.362 173.089 174.600 -0.249 0.000 1.354 217 S CA -0.880 56.781 58.200 -0.898 0.000 1.008 217 S CB 0.654 63.375 63.200 -0.799 0.000 0.898 217 S HN 0.208 nan 8.310 nan 0.000 0.555 218 P HA -0.093 nan 4.420 nan 0.000 0.208 218 P C 1.547 178.808 177.300 -0.065 0.000 1.200 218 P CA 0.723 63.792 63.100 -0.051 0.000 0.924 218 P CB -0.214 31.486 31.700 0.001 0.000 0.774 219 N N -0.283 118.372 118.700 -0.074 0.000 2.287 219 N HA -0.297 4.443 4.740 -0.000 0.000 0.195 219 N C 1.127 176.571 175.510 -0.110 0.000 0.922 219 N CA 2.466 55.462 53.050 -0.089 0.000 0.929 219 N CB -0.773 37.644 38.487 -0.117 0.000 1.068 219 N HN 0.318 nan 8.380 nan 0.000 0.696 220 G N -2.282 106.462 108.800 -0.093 0.000 2.132 220 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.228 220 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.228 220 G C 0.694 175.618 174.900 0.040 0.000 1.000 220 G CA 0.905 45.973 45.100 -0.053 0.000 0.693 220 G HN 0.467 nan 8.290 nan 0.000 0.515 221 T N -0.452 114.042 114.554 -0.099 0.000 2.983 221 T HA 0.389 4.739 4.350 -0.000 0.000 0.250 221 T C 0.667 175.213 174.700 -0.258 0.000 1.037 221 T CA 0.777 62.709 62.100 -0.280 0.000 1.142 221 T CB 0.011 68.526 68.868 -0.589 0.000 0.876 221 T HN 0.241 nan 8.240 nan 0.000 0.455 222 F N 0.902 120.885 119.950 0.054 0.000 2.432 222 F HA 0.590 5.117 4.527 -0.000 0.000 0.329 222 F C -0.014 175.823 175.800 0.062 0.000 1.076 222 F CA -1.659 56.390 58.000 0.082 0.000 1.018 222 F CB 0.923 40.019 39.000 0.160 0.000 1.201 222 F HN -0.121 nan 8.300 nan 0.000 0.489 223 L N 2.644 123.975 121.223 0.180 0.000 2.427 223 L HA 0.632 4.972 4.340 -0.000 0.000 0.264 223 L C -0.888 175.997 176.870 0.025 0.000 0.989 223 L CA -0.609 54.152 54.840 -0.132 0.000 0.865 223 L CB 0.891 42.657 42.059 -0.487 0.000 1.209 223 L HN 0.773 nan 8.230 nan 0.000 0.430 224 A N 5.195 128.117 122.820 0.171 0.000 2.320 224 A HA 0.550 4.870 4.320 -0.000 0.000 0.287 224 A C -1.005 176.604 177.584 0.041 0.000 1.181 224 A CA -0.225 51.761 52.037 -0.085 0.000 0.831 224 A CB 0.202 19.248 19.000 0.077 0.000 1.102 224 A HN 0.703 nan 8.150 nan 0.000 0.513 225 Y N -0.286 119.859 120.300 -0.259 0.000 2.602 225 Y HA 0.835 5.385 4.550 -0.000 0.000 0.342 225 Y C 0.113 175.901 175.900 -0.187 0.000 1.029 225 Y CA -1.000 57.069 58.100 -0.052 0.000 1.080 225 Y CB 1.203 39.600 38.460 -0.104 0.000 1.284 225 Y HN 0.760 nan 8.280 nan 0.000 0.485 226 A N 1.382 124.412 122.820 0.351 0.000 2.288 226 A HA 0.699 5.019 4.320 -0.000 0.000 0.328 226 A C -1.211 176.372 177.584 -0.002 0.000 1.123 226 A CA -0.879 51.224 52.037 0.109 0.000 0.861 226 A CB 1.816 20.841 19.000 0.041 0.000 1.272 226 A HN 0.823 nan 8.150 nan 0.000 0.490 227 Q N 0.047 119.680 119.800 -0.279 0.000 2.315 227 Q HA 0.609 4.949 4.340 -0.000 0.000 0.273 227 Q C -2.210 173.510 176.000 -0.467 0.000 1.053 227 Q CA -0.371 55.323 55.803 -0.181 0.000 0.817 227 Q CB 1.481 30.312 28.738 0.155 0.000 1.326 227 Q HN 0.613 nan 8.270 nan 0.000 0.423 228 F N 1.981 122.029 119.950 0.163 0.000 2.520 228 F HA 0.445 4.972 4.527 -0.000 0.000 0.322 228 F C 0.251 176.198 175.800 0.245 0.000 1.103 228 F CA -0.997 57.089 58.000 0.143 0.000 0.926 228 F CB 1.541 40.542 39.000 0.001 0.000 1.154 228 F HN 0.389 nan 8.300 nan 0.000 0.453 229 N N 1.905 120.818 118.700 0.355 0.000 2.558 229 N HA 0.224 4.964 4.740 -0.000 0.000 0.242 229 N C -0.943 174.731 175.510 0.274 0.000 0.979 229 N CA -0.381 52.837 53.050 0.280 0.000 0.931 229 N CB 0.786 39.388 38.487 0.191 0.000 1.122 229 N HN 0.540 nan 8.380 nan 0.000 0.508 230 D N 1.328 121.913 120.400 0.308 0.000 2.491 230 D HA 0.127 4.767 4.640 -0.000 0.000 0.228 230 D C 1.041 177.452 176.300 0.185 0.000 1.183 230 D CA 0.132 54.288 54.000 0.260 0.000 0.827 230 D CB 0.421 41.424 40.800 0.337 0.000 0.989 230 D HN 0.440 nan 8.370 nan 0.000 0.494 231 T N 0.275 114.920 114.554 0.151 0.000 2.803 231 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 231 T C 1.229 175.982 174.700 0.088 0.000 1.052 231 T CA 1.100 63.263 62.100 0.106 0.000 1.136 231 T CB 0.023 68.943 68.868 0.087 0.000 0.864 231 T HN 0.431 nan 8.240 nan 0.000 0.467 232 E N 0.351 120.606 120.200 0.092 0.000 2.583 232 E HA 0.234 4.584 4.350 -0.000 0.000 0.213 232 E C -0.341 176.305 176.600 0.077 0.000 0.989 232 E CA -0.152 56.292 56.400 0.073 0.000 0.991 232 E CB 0.454 30.190 29.700 0.061 0.000 1.040 232 E HN 0.196 nan 8.360 nan 0.000 0.481 233 V N 4.347 124.319 119.914 0.097 0.000 2.479 233 V HA 0.093 4.213 4.120 -0.000 0.000 0.281 233 V C -1.917 174.226 176.094 0.082 0.000 1.031 233 V CA -1.208 61.150 62.300 0.097 0.000 1.038 233 V CB 0.344 32.240 31.823 0.122 0.000 0.981 233 V HN 0.073 nan 8.190 nan 0.000 0.478 234 P HA 0.155 nan 4.420 nan 0.000 0.270 234 P C -0.894 176.434 177.300 0.047 0.000 1.227 234 P CA -0.108 63.022 63.100 0.049 0.000 0.788 234 P CB 0.437 32.165 31.700 0.047 0.000 0.926 235 L N 1.921 123.152 121.223 0.013 0.000 2.319 235 L HA 0.351 4.691 4.340 -0.000 0.000 0.281 235 L C 0.109 176.933 176.870 -0.076 0.000 1.005 235 L CA -1.135 53.698 54.840 -0.012 0.000 0.828 235 L CB 0.763 42.814 42.059 -0.013 0.000 1.227 235 L HN 0.243 nan 8.230 nan 0.000 0.415 236 I N 0.018 120.502 120.570 -0.145 0.000 2.588 236 I HA 0.318 4.488 4.170 -0.000 0.000 0.283 236 I C -0.010 175.997 176.117 -0.183 0.000 1.119 236 I CA -0.621 60.516 61.300 -0.271 0.000 1.419 236 I CB -0.018 37.579 38.000 -0.672 0.000 1.394 236 I HN 0.589 nan 8.210 nan 0.000 0.562 237 E N 6.126 126.233 120.200 -0.155 0.000 2.227 237 E HA 0.675 5.025 4.350 -0.000 0.000 0.268 237 E C -1.519 175.038 176.600 -0.070 0.000 0.907 237 E CA -0.668 55.641 56.400 -0.151 0.000 0.786 237 E CB 2.208 31.830 29.700 -0.129 0.000 1.191 237 E HN 0.741 nan 8.360 nan 0.000 0.411 238 Y N -2.290 117.923 120.300 -0.145 0.000 2.565 238 Y HA 0.382 4.932 4.550 -0.000 0.000 0.330 238 Y C -1.114 174.704 175.900 -0.136 0.000 1.150 238 Y CA -1.277 56.736 58.100 -0.145 0.000 1.055 238 Y CB 0.793 39.169 38.460 -0.140 0.000 1.337 238 Y HN 0.329 nan 8.280 nan 0.000 0.457 239 S N 3.002 118.655 115.700 -0.078 0.000 2.474 239 S HA 0.435 4.905 4.470 -0.000 0.000 0.276 239 S C -1.049 173.298 174.600 -0.423 0.000 1.227 239 S CA -0.446 57.560 58.200 -0.323 0.000 1.050 239 S CB 0.421 63.326 63.200 -0.491 0.000 0.939 239 S HN 0.567 nan 8.310 nan 0.000 0.490 240 F N 3.441 123.146 119.950 -0.408 0.000 2.405 240 F HA 0.443 4.970 4.527 -0.000 0.000 0.355 240 F C 0.071 175.695 175.800 -0.294 0.000 1.121 240 F CA -1.085 56.758 58.000 -0.261 0.000 1.112 240 F CB 0.566 39.515 39.000 -0.085 0.000 1.126 240 F HN 0.614 nan 8.300 nan 0.000 0.481 241 Y N 2.905 122.959 120.300 -0.411 0.000 2.397 241 Y HA 0.111 4.661 4.550 -0.000 0.000 0.292 241 Y C 1.628 177.396 175.900 -0.220 0.000 1.115 241 Y CA 1.017 58.972 58.100 -0.242 0.000 1.208 241 Y CB -0.760 37.572 38.460 -0.214 0.000 1.046 241 Y HN 0.715 nan 8.280 nan 0.000 0.552 242 S N -0.240 115.254 115.700 -0.344 0.000 3.756 242 S HA -0.221 4.249 4.470 -0.000 0.000 0.640 242 S C -0.541 174.076 174.600 0.028 0.000 2.059 242 S CA -0.141 58.033 58.200 -0.044 0.000 2.224 242 S CB -1.165 62.171 63.200 0.226 0.000 0.327 242 S HN 0.442 nan 8.310 nan 0.000 1.789 243 D N 1.711 122.162 120.400 0.085 0.000 2.567 243 D HA 0.043 4.683 4.640 -0.000 0.000 0.228 243 D C 1.482 177.810 176.300 0.046 0.000 1.185 243 D CA 0.986 55.024 54.000 0.064 0.000 0.874 243 D CB 0.174 41.017 40.800 0.071 0.000 1.219 243 D HN 0.648 nan 8.370 nan 0.000 0.494 244 E N 0.185 120.403 120.200 0.030 0.000 2.268 244 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 244 E C 1.078 177.687 176.600 0.015 0.000 0.995 244 E CA 0.961 57.370 56.400 0.015 0.000 0.836 244 E CB 0.033 29.736 29.700 0.004 0.000 0.763 244 E HN 0.356 nan 8.360 nan 0.000 0.491 245 S N 0.532 116.247 115.700 0.025 0.000 2.555 245 S HA 0.007 4.477 4.470 -0.000 0.000 0.230 245 S C 1.135 175.753 174.600 0.030 0.000 0.978 245 S CA -0.154 58.059 58.200 0.022 0.000 0.934 245 S CB -0.267 62.949 63.200 0.026 0.000 0.766 245 S HN 0.304 nan 8.310 nan 0.000 0.533 246 L N 2.544 123.794 121.223 0.045 0.000 2.407 246 L HA 0.147 4.487 4.340 -0.000 0.000 0.282 246 L C 1.560 178.454 176.870 0.039 0.000 1.110 246 L CA -0.053 54.824 54.840 0.063 0.000 0.863 246 L CB 0.904 43.020 42.059 0.093 0.000 1.207 246 L HN 0.439 nan 8.230 nan 0.000 0.454 247 Q N 4.608 124.423 119.800 0.025 0.000 1.967 247 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 247 Q C -0.413 175.516 176.000 -0.118 0.000 0.985 247 Q CA 1.658 57.418 55.803 -0.072 0.000 0.839 247 Q CB -0.023 28.664 28.738 -0.085 0.000 0.906 247 Q HN 0.598 nan 8.270 nan 0.000 0.423 248 Y N 1.099 121.417 120.300 0.030 0.000 2.308 248 Y HA 0.322 4.872 4.550 -0.000 0.000 0.329 248 Y C -1.929 173.997 175.900 0.044 0.000 1.111 248 Y CA -2.789 55.330 58.100 0.031 0.000 1.179 248 Y CB 0.870 39.339 38.460 0.016 0.000 1.201 248 Y HN 0.273 nan 8.280 nan 0.000 0.483 249 P HA -0.017 nan 4.420 nan 0.000 0.266 249 P C -0.779 176.558 177.300 0.061 0.000 1.195 249 P CA -0.092 63.077 63.100 0.115 0.000 0.768 249 P CB 0.572 32.328 31.700 0.094 0.000 0.838 250 K N 1.972 122.388 120.400 0.028 0.000 2.248 250 K HA 0.245 4.565 4.320 -0.000 0.000 0.281 250 K C -0.251 176.307 176.600 -0.070 0.000 1.054 250 K CA -0.213 56.080 56.287 0.009 0.000 0.903 250 K CB 0.701 33.242 32.500 0.069 0.000 1.077 250 K HN 0.390 nan 8.250 nan 0.000 0.474 251 T N 2.741 117.237 114.554 -0.097 0.000 2.761 251 T HA 0.157 4.507 4.350 -0.000 0.000 0.296 251 T C 0.066 174.642 174.700 -0.208 0.000 0.934 251 T CA -0.388 61.618 62.100 -0.156 0.000 1.091 251 T CB 0.705 69.499 68.868 -0.122 0.000 0.896 251 T HN 0.136 nan 8.240 nan 0.000 0.515 252 V N 5.710 125.403 119.914 -0.369 0.000 2.483 252 V HA 0.553 4.673 4.120 -0.000 0.000 0.295 252 V C 0.051 175.867 176.094 -0.464 0.000 1.035 252 V CA -0.841 61.193 62.300 -0.444 0.000 0.896 252 V CB 1.570 32.948 31.823 -0.742 0.000 0.986 252 V HN 0.779 nan 8.190 nan 0.000 0.447 253 R N 3.428 123.789 120.500 -0.230 0.000 2.532 253 R HA 0.771 5.111 4.340 -0.000 0.000 0.297 253 R C -1.708 174.583 176.300 -0.014 0.000 0.984 253 R CA -0.658 55.358 56.100 -0.140 0.000 0.884 253 R CB 2.338 32.579 30.300 -0.098 0.000 1.182 253 R HN 0.441 nan 8.270 nan 0.000 0.442 254 V N 3.686 123.598 119.914 -0.004 0.000 2.540 254 V HA 0.356 4.476 4.120 -0.000 0.000 0.302 254 V C -2.278 173.848 176.094 0.054 0.000 1.035 254 V CA -2.512 59.824 62.300 0.060 0.000 0.873 254 V CB 2.218 34.017 31.823 -0.039 0.000 0.992 254 V HN 0.614 nan 8.190 nan 0.000 0.428 255 P HA 0.069 nan 4.420 nan 0.000 0.258 255 P C -1.365 175.994 177.300 0.099 0.000 1.214 255 P CA 0.527 63.704 63.100 0.129 0.000 0.872 255 P CB -0.354 31.470 31.700 0.206 0.000 0.890 256 Y N 6.706 126.949 120.300 -0.096 0.000 2.332 256 Y HA 0.426 4.976 4.550 -0.000 0.000 0.325 256 Y C -2.729 173.112 175.900 -0.098 0.000 1.054 256 Y CA -2.961 55.021 58.100 -0.197 0.000 1.119 256 Y CB 1.915 40.148 38.460 -0.378 0.000 1.168 256 Y HN 0.257 nan 8.280 nan 0.000 0.439 257 P HA 0.313 nan 4.420 nan 0.000 0.293 257 P C -1.159 176.205 177.300 0.106 0.000 1.313 257 P CA -0.372 62.762 63.100 0.057 0.000 0.787 257 P CB 1.556 33.269 31.700 0.022 0.000 0.910 258 K N 1.861 122.391 120.400 0.217 0.000 2.127 258 K HA 0.578 4.898 4.320 -0.000 0.000 0.240 258 K C 0.464 177.170 176.600 0.176 0.000 1.024 258 K CA -0.824 55.606 56.287 0.238 0.000 0.918 258 K CB 0.482 33.132 32.500 0.250 0.000 1.108 258 K HN 0.423 nan 8.250 nan 0.000 0.485 259 A N 0.791 123.742 122.820 0.218 0.000 2.561 259 A HA 0.308 4.628 4.320 -0.000 0.000 0.251 259 A C 1.199 178.832 177.584 0.082 0.000 1.062 259 A CA 1.014 53.166 52.037 0.191 0.000 0.761 259 A CB -1.406 17.770 19.000 0.294 0.000 0.986 259 A HN 0.887 nan 8.150 nan 0.000 0.510 260 G N 1.036 109.880 108.800 0.072 0.000 2.217 260 G HA2 0.118 4.077 3.960 -0.000 0.000 0.246 260 G HA3 0.118 4.077 3.960 -0.000 0.000 0.246 260 G C 0.707 175.632 174.900 0.041 0.000 0.990 260 G CA 0.628 45.745 45.100 0.029 0.000 0.627 260 G HN 2.150 nan 8.290 nan 0.000 0.522 261 A N -0.115 122.742 122.820 0.063 0.000 2.267 261 A HA 0.743 5.063 4.320 -0.000 0.000 0.271 261 A C 1.011 178.633 177.584 0.063 0.000 1.131 261 A CA 0.415 52.489 52.037 0.061 0.000 0.818 261 A CB 0.434 19.481 19.000 0.077 0.000 1.118 261 A HN 1.211 nan 8.150 nan 0.000 0.501 262 V N 1.062 121.013 119.914 0.061 0.000 2.843 262 V HA 0.043 4.163 4.120 -0.000 0.000 0.305 262 V C 0.558 176.704 176.094 0.086 0.000 1.065 262 V CA 0.294 62.633 62.300 0.065 0.000 1.116 262 V CB 0.207 32.068 31.823 0.062 0.000 0.968 262 V HN 0.900 nan 8.190 nan 0.000 0.487 263 N N 3.808 122.565 118.700 0.096 0.000 2.459 263 N HA 0.514 5.254 4.740 -0.000 0.000 0.288 263 N C -2.597 173.014 175.510 0.170 0.000 1.186 263 N CA -1.379 51.755 53.050 0.141 0.000 0.917 263 N CB 1.740 40.330 38.487 0.172 0.000 1.219 263 N HN 0.483 nan 8.380 nan 0.000 0.525 264 P HA 0.017 nan 4.420 nan 0.000 0.271 264 P C -0.636 176.836 177.300 0.285 0.000 1.238 264 P CA 0.004 63.279 63.100 0.293 0.000 0.794 264 P CB 0.445 32.383 31.700 0.396 0.000 0.959 265 T N -3.049 111.660 114.554 0.257 0.000 2.883 265 T HA 0.665 5.015 4.350 -0.000 0.000 0.284 265 T C -0.590 174.234 174.700 0.207 0.000 1.041 265 T CA -0.929 61.283 62.100 0.186 0.000 1.007 265 T CB 1.460 70.392 68.868 0.107 0.000 1.220 265 T HN 0.403 nan 8.240 nan 0.000 0.552 266 V N 0.719 120.721 119.914 0.147 0.000 2.789 266 V HA 0.528 4.648 4.120 -0.000 0.000 0.300 266 V C -1.730 174.443 176.094 0.132 0.000 1.184 266 V CA -0.865 61.462 62.300 0.045 0.000 0.930 266 V CB 1.974 33.763 31.823 -0.058 0.000 1.041 266 V HN 1.025 nan 8.190 nan 0.000 0.430 267 K N 5.332 125.792 120.400 0.100 0.000 2.098 267 K HA 0.533 4.853 4.320 -0.000 0.000 0.258 267 K C -1.078 175.508 176.600 -0.024 0.000 0.973 267 K CA -0.351 55.958 56.287 0.036 0.000 0.898 267 K CB 2.332 34.856 32.500 0.039 0.000 1.057 267 K HN 0.589 nan 8.250 nan 0.000 0.447 268 F N 1.548 121.262 119.950 -0.393 0.000 2.480 268 F HA 0.517 5.043 4.527 -0.000 0.000 0.329 268 F C -1.123 174.219 175.800 -0.763 0.000 1.091 268 F CA -0.904 56.846 58.000 -0.416 0.000 0.972 268 F CB 0.843 39.637 39.000 -0.343 0.000 1.150 268 F HN 0.434 nan 8.300 nan 0.000 0.467 269 F N 3.202 122.388 119.950 -1.273 0.000 2.664 269 F HA 0.823 5.350 4.527 -0.000 0.000 0.329 269 F C -0.948 174.095 175.800 -1.262 0.000 1.090 269 F CA -1.164 56.198 58.000 -1.064 0.000 0.978 269 F CB 2.052 40.424 39.000 -1.047 0.000 1.378 269 F HN 0.139 nan 8.300 nan 0.000 0.495 270 V N 1.648 121.222 119.914 -0.567 0.000 2.817 270 V HA 0.531 4.651 4.120 -0.000 0.000 0.303 270 V C -1.204 174.842 176.094 -0.080 0.000 1.151 270 V CA -0.713 61.345 62.300 -0.403 0.000 0.929 270 V CB 2.046 33.551 31.823 -0.529 0.000 1.030 270 V HN 0.549 nan 8.190 nan 0.000 0.427 271 V N 2.799 122.749 119.914 0.061 0.000 2.960 271 V HA 0.579 4.699 4.120 -0.000 0.000 0.315 271 V C -0.349 175.948 176.094 0.337 0.000 1.087 271 V CA -0.850 61.557 62.300 0.178 0.000 0.982 271 V CB 2.466 34.369 31.823 0.134 0.000 1.039 271 V HN 0.854 nan 8.190 nan 0.000 0.437 272 N N 1.213 120.078 118.700 0.275 0.000 2.609 272 N HA 0.178 4.918 4.740 -0.000 0.000 0.234 272 N C 0.798 176.341 175.510 0.056 0.000 1.001 272 N CA -0.028 53.151 53.050 0.215 0.000 0.926 272 N CB 1.538 40.147 38.487 0.204 0.000 1.130 272 N HN 0.690 nan 8.380 nan 0.000 0.510 273 T N 1.219 115.799 114.554 0.044 0.000 2.897 273 T HA -0.082 4.268 4.350 -0.000 0.000 0.271 273 T C 0.599 175.288 174.700 -0.019 0.000 1.084 273 T CA 1.029 63.156 62.100 0.046 0.000 1.123 273 T CB 0.137 69.108 68.868 0.173 0.000 0.865 273 T HN 0.473 nan 8.240 nan 0.000 0.496 274 D N 1.061 121.428 120.400 -0.055 0.000 2.347 274 D HA 0.027 4.667 4.640 -0.000 0.000 0.213 274 D C 1.376 177.645 176.300 -0.051 0.000 0.985 274 D CA 0.432 54.396 54.000 -0.060 0.000 0.879 274 D CB 0.036 40.783 40.800 -0.088 0.000 0.919 274 D HN 0.462 nan 8.370 nan 0.000 0.526 275 S N 0.250 115.921 115.700 -0.049 0.000 2.449 275 S HA 0.351 4.821 4.470 -0.000 0.000 0.237 275 S C 0.148 174.692 174.600 -0.092 0.000 1.214 275 S CA -0.633 57.544 58.200 -0.038 0.000 1.226 275 S CB -0.444 62.763 63.200 0.010 0.000 0.904 275 S HN -0.015 nan 8.310 nan 0.000 0.490 276 L N 1.287 122.395 121.223 -0.191 0.000 2.317 276 L HA 0.672 5.012 4.340 -0.000 0.000 0.281 276 L C 0.232 176.903 176.870 -0.331 0.000 1.024 276 L CA -0.453 54.142 54.840 -0.407 0.000 0.810 276 L CB 1.879 43.422 42.059 -0.861 0.000 1.240 276 L HN 0.293 nan 8.230 nan 0.000 0.427 277 S N 0.202 115.789 115.700 -0.189 0.000 2.566 277 S HA 0.289 4.759 4.470 -0.000 0.000 0.298 277 S C 0.703 175.481 174.600 0.297 0.000 1.083 277 S CA -0.428 57.809 58.200 0.061 0.000 0.978 277 S CB 2.053 65.288 63.200 0.059 0.000 1.073 277 S HN 0.629 nan 8.310 nan 0.000 0.491 278 S N 1.975 117.877 115.700 0.336 0.000 2.387 278 S HA -0.054 4.416 4.470 -0.000 0.000 0.226 278 S C 1.650 176.363 174.600 0.189 0.000 1.026 278 S CA 1.454 59.824 58.200 0.282 0.000 0.972 278 S CB -0.421 62.879 63.200 0.166 0.000 0.814 278 S HN 0.554 nan 8.310 nan 0.000 0.477 279 V N 1.356 121.356 119.914 0.143 0.000 2.244 279 V HA -0.090 4.030 4.120 -0.000 0.000 0.235 279 V C 1.271 177.431 176.094 0.111 0.000 1.026 279 V CA 1.610 63.974 62.300 0.107 0.000 0.990 279 V CB -1.690 30.180 31.823 0.078 0.000 0.640 279 V HN 0.453 nan 8.190 nan 0.000 0.463 280 T N 1.542 116.150 114.554 0.090 0.000 2.930 280 T HA 0.115 4.464 4.350 -0.000 0.000 0.306 280 T C 0.127 174.886 174.700 0.099 0.000 1.045 280 T CA -0.292 61.853 62.100 0.074 0.000 1.134 280 T CB 0.061 68.957 68.868 0.048 0.000 0.961 280 T HN 0.317 nan 8.240 nan 0.000 0.545 281 N N 1.160 119.917 118.700 0.095 0.000 2.508 281 N HA 0.317 5.056 4.740 -0.000 0.000 0.264 281 N C 0.175 175.745 175.510 0.100 0.000 1.216 281 N CA -0.225 52.908 53.050 0.138 0.000 0.943 281 N CB 0.719 39.262 38.487 0.094 0.000 1.113 281 N HN 0.851 nan 8.380 nan 0.000 0.447 282 A N 1.801 124.694 122.820 0.122 0.000 2.565 282 A HA 0.097 4.417 4.320 -0.000 0.000 0.237 282 A C 0.201 177.827 177.584 0.069 0.000 1.053 282 A CA 0.557 52.635 52.037 0.068 0.000 0.755 282 A CB -0.072 18.965 19.000 0.060 0.000 0.980 282 A HN 0.535 nan 8.150 nan 0.000 0.506 283 T N 3.064 117.657 114.554 0.064 0.000 2.809 283 T HA 0.472 4.821 4.350 -0.000 0.000 0.296 283 T C -0.125 174.637 174.700 0.103 0.000 1.015 283 T CA -0.145 62.000 62.100 0.076 0.000 0.954 283 T CB 0.598 69.509 68.868 0.073 0.000 0.950 283 T HN 0.644 nan 8.240 nan 0.000 0.450 284 S N 3.003 118.767 115.700 0.107 0.000 2.565 284 S HA 0.587 5.057 4.470 -0.000 0.000 0.290 284 S C -0.181 174.528 174.600 0.181 0.000 1.150 284 S CA -0.774 57.502 58.200 0.127 0.000 1.058 284 S CB 0.883 64.134 63.200 0.085 0.000 1.032 284 S HN 0.464 nan 8.310 nan 0.000 0.510 285 I N 2.470 123.149 120.570 0.181 0.000 2.304 285 I HA 0.238 4.408 4.170 -0.000 0.000 0.291 285 I C 0.488 176.668 176.117 0.105 0.000 1.018 285 I CA -0.181 61.233 61.300 0.190 0.000 1.260 285 I CB 0.996 39.169 38.000 0.289 0.000 1.390 285 I HN 0.639 nan 8.210 nan 0.000 0.475 286 Q N 5.958 125.815 119.800 0.096 0.000 2.364 286 Q HA 0.344 4.683 4.340 -0.000 0.000 0.267 286 Q C -0.956 174.905 176.000 -0.232 0.000 0.999 286 Q CA 0.286 55.900 55.803 -0.316 0.000 0.886 286 Q CB 0.715 29.281 28.738 -0.286 0.000 1.243 286 Q HN 0.577 nan 8.270 nan 0.000 0.415 287 I N 3.198 123.582 120.570 -0.310 0.000 2.404 287 I HA 0.242 4.412 4.170 -0.000 0.000 0.293 287 I C -0.297 175.770 176.117 -0.085 0.000 0.992 287 I CA -0.628 60.602 61.300 -0.117 0.000 1.149 287 I CB 2.126 40.103 38.000 -0.038 0.000 1.315 287 I HN 0.624 nan 8.210 nan 0.000 0.446 288 T N 5.424 119.923 114.554 -0.092 0.000 2.837 288 T HA 0.524 4.874 4.350 -0.000 0.000 0.285 288 T C 0.200 174.724 174.700 -0.294 0.000 0.984 288 T CA -0.352 61.654 62.100 -0.157 0.000 1.049 288 T CB 1.328 70.110 68.868 -0.144 0.000 0.947 288 T HN 0.668 nan 8.240 nan 0.000 0.472 289 A N 5.106 127.550 122.820 -0.626 0.000 2.366 289 A HA 0.587 4.907 4.320 -0.000 0.000 0.249 289 A C -2.267 174.792 177.584 -0.875 0.000 1.084 289 A CA -1.234 49.946 52.037 -1.429 0.000 0.794 289 A CB -0.392 17.081 19.000 -2.544 0.000 1.034 289 A HN 0.527 nan 8.150 nan 0.000 0.491 290 P HA 0.284 nan 4.420 nan 0.000 0.275 290 P C 0.834 177.899 177.300 -0.391 0.000 1.228 290 P CA 0.455 63.282 63.100 -0.455 0.000 0.786 290 P CB 0.813 32.314 31.700 -0.332 0.000 0.927 291 A N 2.967 125.635 122.820 -0.253 0.000 1.909 291 A HA -0.283 4.037 4.320 -0.000 0.000 0.221 291 A C 2.098 179.559 177.584 -0.204 0.000 1.223 291 A CA 2.974 54.890 52.037 -0.203 0.000 0.658 291 A CB -2.019 16.900 19.000 -0.135 0.000 0.831 291 A HN 0.659 nan 8.150 nan 0.000 0.462 292 S N -2.060 113.539 115.700 -0.169 0.000 2.547 292 S HA -0.011 4.459 4.470 -0.000 0.000 0.235 292 S C 1.560 176.056 174.600 -0.174 0.000 0.980 292 S CA 1.398 59.511 58.200 -0.144 0.000 0.941 292 S CB -0.210 62.950 63.200 -0.068 0.000 0.763 292 S HN 0.341 nan 8.310 nan 0.000 0.532 293 M N 0.807 120.228 119.600 -0.299 0.000 2.447 293 M HA 0.404 4.884 4.480 -0.000 0.000 0.266 293 M C 1.866 177.836 176.300 -0.550 0.000 1.120 293 M CA 0.552 55.580 55.300 -0.454 0.000 1.166 293 M CB -1.283 30.850 32.600 -0.778 0.000 1.349 293 M HN 0.343 nan 8.290 nan 0.000 0.463 294 L N -0.309 120.636 121.223 -0.462 0.000 2.465 294 L HA -0.112 4.227 4.340 -0.000 0.000 0.224 294 L C 2.163 178.961 176.870 -0.121 0.000 1.145 294 L CA 0.110 54.761 54.840 -0.316 0.000 0.834 294 L CB -0.098 41.804 42.059 -0.260 0.000 0.944 294 L HN 0.183 nan 8.230 nan 0.000 0.451 295 I N -0.386 120.112 120.570 -0.119 0.000 2.162 295 I HA -0.034 4.136 4.170 -0.000 0.000 0.238 295 I C 1.489 177.596 176.117 -0.017 0.000 1.076 295 I CA 1.295 62.556 61.300 -0.065 0.000 1.353 295 I CB -0.979 36.973 38.000 -0.080 0.000 1.063 295 I HN 0.103 nan 8.210 nan 0.000 0.408 296 G N -0.243 108.556 108.800 -0.002 0.000 2.583 296 G HA2 0.160 4.120 3.960 -0.000 0.000 0.280 296 G HA3 0.160 4.120 3.960 -0.000 0.000 0.280 296 G C -0.904 174.065 174.900 0.115 0.000 1.376 296 G CA -0.415 44.702 45.100 0.030 0.000 1.043 296 G HN 0.204 nan 8.290 nan 0.000 0.538 297 D N 0.580 120.993 120.400 0.023 0.000 2.417 297 D HA 0.383 5.023 4.640 -0.000 0.000 0.250 297 D C 0.241 176.457 176.300 -0.140 0.000 1.166 297 D CA 0.613 54.562 54.000 -0.085 0.000 0.881 297 D CB 0.761 41.496 40.800 -0.107 0.000 1.164 297 D HN 0.555 nan 8.370 nan 0.000 0.467 298 H N -0.520 118.412 119.070 -0.229 0.000 2.943 298 H HA 0.671 5.227 4.556 -0.000 0.000 0.323 298 H C -1.285 173.820 175.328 -0.371 0.000 1.296 298 H CA -1.001 54.877 56.048 -0.284 0.000 1.155 298 H CB 0.727 30.486 29.762 -0.005 0.000 1.882 298 H HN 0.271 nan 8.280 nan 0.000 0.553 299 Y N -0.672 119.862 120.300 0.391 0.000 2.524 299 Y HA 0.319 4.869 4.550 -0.000 0.000 0.347 299 Y C -0.474 175.657 175.900 0.386 0.000 1.005 299 Y CA -1.381 56.962 58.100 0.404 0.000 1.025 299 Y CB 1.531 40.113 38.460 0.203 0.000 1.275 299 Y HN 0.535 nan 8.280 nan 0.000 0.460 300 L N 2.814 124.299 121.223 0.436 0.000 2.513 300 L HA 0.060 4.400 4.340 -0.000 0.000 0.272 300 L C 0.548 177.510 176.870 0.152 0.000 1.187 300 L CA 0.124 54.899 54.840 -0.108 0.000 0.895 300 L CB 0.360 42.301 42.059 -0.197 0.000 1.147 300 L HN 1.158 nan 8.230 nan 0.000 0.483 301 C N 0.745 119.970 119.300 -0.126 0.000 3.642 301 C HA 0.489 4.949 4.460 -0.000 0.000 0.305 301 C C -0.122 174.662 174.990 -0.343 0.000 1.492 301 C CA -0.499 58.376 59.018 -0.239 0.000 1.809 301 C CB -0.177 27.497 27.740 -0.110 0.000 2.639 301 C HN 0.822 nan 8.230 nan 0.000 0.672 302 D N 0.261 120.513 120.400 -0.247 0.000 2.747 302 D HA 0.439 5.079 4.640 -0.000 0.000 0.218 302 D C -1.684 174.413 176.300 -0.338 0.000 1.230 302 D CA 0.103 54.000 54.000 -0.172 0.000 0.774 302 D CB 2.200 42.889 40.800 -0.186 0.000 1.667 302 D HN 0.058 nan 8.370 nan 0.000 0.499 303 V N 2.570 122.292 119.914 -0.319 0.000 2.577 303 V HA 0.737 4.857 4.120 -0.000 0.000 0.303 303 V C -0.368 175.465 176.094 -0.435 0.000 1.042 303 V CA -0.412 61.437 62.300 -0.752 0.000 0.872 303 V CB 2.024 32.818 31.823 -1.716 0.000 0.998 303 V HN 0.680 nan 8.190 nan 0.000 0.423 304 T N 3.222 117.536 114.554 -0.401 0.000 3.109 304 T HA 0.339 4.689 4.350 -0.000 0.000 0.311 304 T C -1.096 173.505 174.700 -0.166 0.000 1.011 304 T CA -0.470 61.550 62.100 -0.134 0.000 1.026 304 T CB 0.940 69.778 68.868 -0.050 0.000 1.047 304 T HN 0.546 nan 8.240 nan 0.000 0.448 305 W N 2.062 123.355 121.300 -0.012 0.000 2.287 305 W HA 0.514 5.174 4.660 -0.000 0.000 0.313 305 W C 1.143 177.630 176.519 -0.055 0.000 1.267 305 W CA -0.507 56.830 57.345 -0.013 0.000 1.201 305 W CB 0.816 30.336 29.460 0.100 0.000 1.196 305 W HN 0.883 nan 8.180 nan 0.000 0.536 306 A N 2.345 125.216 122.820 0.085 0.000 1.943 306 A HA 0.202 4.522 4.320 -0.000 0.000 0.213 306 A C 0.822 178.419 177.584 0.021 0.000 1.181 306 A CA 1.675 53.545 52.037 -0.277 0.000 0.653 306 A CB -0.216 18.373 19.000 -0.686 0.000 0.833 306 A HN 0.564 nan 8.150 nan 0.000 0.451 307 T N -6.158 108.515 114.554 0.199 0.000 2.677 307 T HA 0.261 4.611 4.350 -0.000 0.000 0.305 307 T C -0.008 174.843 174.700 0.252 0.000 1.569 307 T CA -0.190 62.026 62.100 0.192 0.000 0.984 307 T CB 0.355 69.308 68.868 0.142 0.000 1.629 307 T HN -0.096 nan 8.240 nan 0.000 0.494 308 Q N 0.987 120.892 119.800 0.174 0.000 2.197 308 Q HA -0.114 4.225 4.340 -0.000 0.000 0.211 308 Q C 0.621 176.815 176.000 0.322 0.000 0.993 308 Q CA 2.128 58.022 55.803 0.151 0.000 0.883 308 Q CB -0.313 28.489 28.738 0.107 0.000 0.916 308 Q HN 0.905 nan 8.270 nan 0.000 0.418 309 E N -0.196 120.240 120.200 0.392 0.000 3.935 309 E HA 0.422 4.772 4.350 -0.000 0.000 0.226 309 E C -0.522 176.387 176.600 0.515 0.000 1.220 309 E CA -0.292 56.422 56.400 0.523 0.000 1.226 309 E CB 0.681 30.616 29.700 0.391 0.000 1.237 309 E HN 0.033 nan 8.360 nan 0.000 0.417 310 R N 1.461 122.363 120.500 0.671 0.000 2.678 310 R HA 0.298 4.638 4.340 -0.000 0.000 0.267 310 R C -1.812 174.623 176.300 0.225 0.000 1.173 310 R CA -0.446 55.917 56.100 0.439 0.000 1.061 310 R CB 0.702 31.102 30.300 0.165 0.000 1.262 310 R HN 0.261 nan 8.270 nan 0.000 0.427 311 I N 1.657 122.124 120.570 -0.172 0.000 2.607 311 I HA 0.625 4.795 4.170 -0.000 0.000 0.305 311 I C -0.012 175.855 176.117 -0.416 0.000 0.995 311 I CA -0.826 60.097 61.300 -0.628 0.000 1.148 311 I CB 2.199 39.434 38.000 -1.275 0.000 1.323 311 I HN 0.641 nan 8.210 nan 0.000 0.461 312 S N 5.116 120.566 115.700 -0.416 0.000 2.503 312 S HA 0.904 5.374 4.470 -0.000 0.000 0.301 312 S C -0.764 173.578 174.600 -0.430 0.000 1.087 312 S CA -0.695 57.332 58.200 -0.289 0.000 1.042 312 S CB 1.260 64.384 63.200 -0.126 0.000 1.043 312 S HN 0.621 nan 8.310 nan 0.000 0.489 313 L N 1.129 122.124 121.223 -0.379 0.000 2.277 313 L HA 0.685 5.025 4.340 -0.000 0.000 0.254 313 L C -0.417 176.250 176.870 -0.338 0.000 1.044 313 L CA -0.964 53.568 54.840 -0.514 0.000 0.842 313 L CB 1.975 43.620 42.059 -0.689 0.000 1.422 313 L HN 0.686 nan 8.230 nan 0.000 0.422 314 Q N -0.362 119.163 119.800 -0.458 0.000 2.377 314 Q HA 0.476 4.816 4.340 -0.000 0.000 0.279 314 Q C -2.009 173.778 176.000 -0.354 0.000 1.049 314 Q CA -0.713 54.952 55.803 -0.230 0.000 0.825 314 Q CB 2.964 31.587 28.738 -0.192 0.000 1.401 314 Q HN 0.414 nan 8.270 nan 0.000 0.404 315 W N 1.063 122.334 121.300 -0.049 0.000 3.060 315 W HA 0.777 5.437 4.660 -0.000 0.000 0.346 315 W C -1.288 175.271 176.519 0.066 0.000 1.194 315 W CA -0.595 56.769 57.345 0.032 0.000 1.105 315 W CB 1.014 30.474 29.460 -0.001 0.000 1.487 315 W HN 0.456 nan 8.180 nan 0.000 0.592 316 L N 1.574 123.047 121.223 0.417 0.000 2.676 316 L HA 0.430 4.770 4.340 -0.000 0.000 0.262 316 L C -0.646 176.372 176.870 0.245 0.000 0.932 316 L CA -0.942 54.080 54.840 0.303 0.000 0.932 316 L CB 1.203 43.448 42.059 0.309 0.000 1.355 316 L HN 0.333 nan 8.230 nan 0.000 0.421 317 R N 3.345 123.962 120.500 0.195 0.000 2.570 317 R HA 0.149 4.489 4.340 -0.000 0.000 0.277 317 R C 1.162 177.485 176.300 0.038 0.000 1.039 317 R CA -0.208 55.956 56.100 0.106 0.000 1.065 317 R CB 0.536 30.906 30.300 0.116 0.000 0.964 317 R HN 0.695 nan 8.270 nan 0.000 0.428 318 R N 2.384 122.829 120.500 -0.093 0.000 2.133 318 R HA -0.153 4.187 4.340 -0.000 0.000 0.247 318 R C 0.500 176.830 176.300 0.051 0.000 1.151 318 R CA 1.396 57.437 56.100 -0.098 0.000 0.971 318 R CB -0.188 30.049 30.300 -0.105 0.000 0.866 318 R HN 0.528 nan 8.270 nan 0.000 0.447 319 I N 1.986 122.580 120.570 0.040 0.000 2.293 319 I HA 0.058 4.228 4.170 -0.000 0.000 0.299 319 I C 0.249 176.414 176.117 0.081 0.000 1.153 319 I CA 0.175 61.506 61.300 0.052 0.000 1.302 319 I CB 0.732 38.753 38.000 0.035 0.000 1.460 319 I HN -0.029 nan 8.210 nan 0.000 0.552 320 Q N 3.803 123.650 119.800 0.078 0.000 2.271 320 Q HA 0.003 4.343 4.340 -0.000 0.000 0.206 320 Q C 0.834 176.902 176.000 0.113 0.000 0.860 320 Q CA -0.014 55.850 55.803 0.101 0.000 0.991 320 Q CB -0.232 28.531 28.738 0.042 0.000 1.232 320 Q HN 0.586 nan 8.270 nan 0.000 0.410 321 N N -0.699 118.075 118.700 0.123 0.000 2.368 321 N HA -0.004 4.735 4.740 -0.000 0.000 0.178 321 N C -1.099 174.511 175.510 0.168 0.000 1.076 321 N CA 0.389 53.510 53.050 0.119 0.000 0.889 321 N CB 0.652 39.202 38.487 0.105 0.000 1.040 321 N HN 0.261 nan 8.380 nan 0.000 0.463 322 Y N 0.156 120.478 120.300 0.037 0.000 2.406 322 Y HA 0.457 5.007 4.550 -0.000 0.000 0.340 322 Y C -0.823 175.108 175.900 0.052 0.000 0.975 322 Y CA -0.951 57.170 58.100 0.034 0.000 1.056 322 Y CB 1.602 40.074 38.460 0.020 0.000 1.210 322 Y HN -0.224 nan 8.280 nan 0.000 0.448 323 S N 4.744 120.319 115.700 -0.208 0.000 2.547 323 S HA 0.821 5.291 4.470 -0.000 0.000 0.281 323 S C -2.216 172.296 174.600 -0.147 0.000 1.118 323 S CA -0.514 57.645 58.200 -0.068 0.000 0.947 323 S CB 1.163 64.340 63.200 -0.038 0.000 1.053 323 S HN 0.449 nan 8.310 nan 0.000 0.482 324 V N 5.762 125.683 119.914 0.011 0.000 2.444 324 V HA 0.521 4.641 4.120 -0.000 0.000 0.294 324 V C -0.131 176.005 176.094 0.071 0.000 1.022 324 V CA -0.641 61.670 62.300 0.018 0.000 0.850 324 V CB 1.651 33.510 31.823 0.061 0.000 0.992 324 V HN 0.981 nan 8.190 nan 0.000 0.426 325 M N 4.090 123.699 119.600 0.015 0.000 2.180 325 M HA 0.534 5.014 4.480 -0.000 0.000 0.350 325 M C -1.390 174.936 176.300 0.042 0.000 1.125 325 M CA -0.243 55.053 55.300 -0.005 0.000 1.031 325 M CB 1.230 33.762 32.600 -0.113 0.000 1.623 325 M HN 0.689 nan 8.290 nan 0.000 0.451 326 D N 4.925 125.349 120.400 0.040 0.000 2.375 326 D HA 0.495 5.135 4.640 -0.000 0.000 0.247 326 D C -1.250 175.050 176.300 -0.001 0.000 1.061 326 D CA -0.296 53.727 54.000 0.038 0.000 0.834 326 D CB 1.338 42.173 40.800 0.059 0.000 1.247 326 D HN 0.510 nan 8.370 nan 0.000 0.489 327 I N 2.367 122.960 120.570 0.038 0.000 2.428 327 I HA 0.343 4.513 4.170 -0.000 0.000 0.296 327 I C -0.328 175.806 176.117 0.029 0.000 0.985 327 I CA -0.316 61.002 61.300 0.030 0.000 1.260 327 I CB 1.382 39.445 38.000 0.105 0.000 1.389 327 I HN 0.339 nan 8.210 nan 0.000 0.484 328 c N 3.989 122.604 118.600 0.026 0.000 2.442 328 c HA 0.411 4.981 4.570 -0.000 0.000 0.335 328 c C -0.607 173.694 174.090 0.352 0.000 1.134 328 c CA -0.895 55.514 56.329 0.134 0.000 1.344 328 c CB 0.384 42.911 42.510 0.029 0.000 1.956 328 c HN 0.642 nan 8.230 nan 0.000 0.438 329 D N 1.161 121.735 120.400 0.290 0.000 2.210 329 D HA 0.324 4.964 4.640 -0.000 0.000 0.249 329 D C -0.438 175.864 176.300 0.004 0.000 1.062 329 D CA 0.033 54.157 54.000 0.207 0.000 0.891 329 D CB 0.649 41.490 40.800 0.068 0.000 1.186 329 D HN 0.560 nan 8.370 nan 0.000 0.432 330 Y N 1.700 121.689 120.300 -0.518 0.000 2.319 330 Y HA 0.201 4.751 4.550 -0.000 0.000 0.328 330 Y C -0.247 175.348 175.900 -0.507 0.000 1.133 330 Y CA -0.413 57.008 58.100 -1.133 0.000 1.265 330 Y CB 0.902 38.608 38.460 -1.256 0.000 1.218 330 Y HN 0.225 nan 8.280 nan 0.000 0.508 331 D N 6.808 126.381 120.400 -1.378 0.000 2.477 331 D HA 0.047 4.687 4.640 -0.000 0.000 0.239 331 D C 0.982 176.637 176.300 -1.074 0.000 1.102 331 D CA -0.024 53.417 54.000 -0.932 0.000 0.901 331 D CB 0.631 41.144 40.800 -0.478 0.000 1.026 331 D HN 0.944 nan 8.370 nan 0.000 0.515 332 E N 2.358 122.055 120.200 -0.839 0.000 2.330 332 E HA -0.351 3.999 4.350 -0.000 0.000 0.239 332 E C 0.568 177.033 176.600 -0.226 0.000 1.097 332 E CA 2.040 58.217 56.400 -0.371 0.000 1.031 332 E CB -0.376 29.232 29.700 -0.154 0.000 0.885 332 E HN 0.318 nan 8.360 nan 0.000 0.479 333 S N 0.856 116.433 115.700 -0.205 0.000 2.335 333 S HA -0.091 4.379 4.470 -0.000 0.000 0.217 333 S C 2.340 176.889 174.600 -0.085 0.000 1.032 333 S CA 1.448 59.583 58.200 -0.108 0.000 0.985 333 S CB -0.267 62.879 63.200 -0.090 0.000 0.896 333 S HN 0.584 nan 8.310 nan 0.000 0.445 334 S N 0.684 116.314 115.700 -0.116 0.000 2.345 334 S HA 0.255 4.725 4.470 -0.000 0.000 0.219 334 S C 1.821 176.404 174.600 -0.027 0.000 1.031 334 S CA 0.981 59.143 58.200 -0.064 0.000 0.984 334 S CB -0.856 62.304 63.200 -0.067 0.000 0.874 334 S HN 0.879 nan 8.310 nan 0.000 0.451 335 G N 1.157 109.906 108.800 -0.084 0.000 2.192 335 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.193 335 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.193 335 G C 0.021 174.990 174.900 0.115 0.000 0.999 335 G CA -0.360 44.806 45.100 0.110 0.000 0.659 335 G HN 0.544 nan 8.290 nan 0.000 0.503 336 R N -0.844 119.635 120.500 -0.036 0.000 2.573 336 R HA 0.605 4.945 4.340 -0.000 0.000 0.272 336 R C -0.189 176.051 176.300 -0.099 0.000 1.009 336 R CA -0.685 55.433 56.100 0.030 0.000 1.059 336 R CB 0.889 31.218 30.300 0.047 0.000 1.112 336 R HN 0.167 nan 8.270 nan 0.000 0.517 337 W N 0.608 121.928 121.300 0.033 0.000 2.213 337 W HA 0.315 4.975 4.660 -0.000 0.000 0.356 337 W C 0.195 176.702 176.519 -0.020 0.000 1.273 337 W CA -0.235 57.118 57.345 0.013 0.000 1.391 337 W CB 0.693 30.143 29.460 -0.016 0.000 1.187 337 W HN 0.302 nan 8.180 nan 0.000 0.649 338 N N 0.770 119.589 118.700 0.199 0.000 2.425 338 N HA 0.287 5.027 4.740 -0.000 0.000 0.289 338 N C -1.977 173.592 175.510 0.098 0.000 1.074 338 N CA -0.486 52.622 53.050 0.096 0.000 0.905 338 N CB 1.613 40.114 38.487 0.024 0.000 1.586 338 N HN 0.232 nan 8.380 nan 0.000 0.490 339 c N 2.766 121.401 118.600 0.058 0.000 2.250 339 c HA 0.382 4.952 4.570 -0.000 0.000 0.319 339 c C 0.400 174.495 174.090 0.010 0.000 1.124 339 c CA -0.829 55.521 56.329 0.036 0.000 1.527 339 c CB -1.147 41.372 42.510 0.015 0.000 2.001 339 c HN 0.530 nan 8.230 nan 0.000 0.435 340 L N 3.454 124.686 121.223 0.015 0.000 2.500 340 L HA 0.062 4.402 4.340 -0.000 0.000 0.272 340 L C 1.534 178.397 176.870 -0.012 0.000 1.149 340 L CA 0.743 55.583 54.840 0.000 0.000 0.897 340 L CB 0.441 42.504 42.059 0.006 0.000 1.178 340 L HN 0.645 nan 8.230 nan 0.000 0.473 341 V N 4.147 124.045 119.914 -0.026 0.000 2.222 341 V HA -0.420 3.700 4.120 -0.000 0.000 0.252 341 V C 2.393 178.460 176.094 -0.044 0.000 1.060 341 V CA 2.215 64.493 62.300 -0.038 0.000 1.027 341 V CB -1.264 30.534 31.823 -0.042 0.000 0.644 341 V HN 1.041 nan 8.190 nan 0.000 0.448 342 A N -0.556 122.238 122.820 -0.043 0.000 2.038 342 A HA -0.362 3.958 4.320 -0.000 0.000 0.224 342 A C 2.313 179.849 177.584 -0.079 0.000 1.190 342 A CA 2.555 54.558 52.037 -0.057 0.000 0.668 342 A CB -0.746 18.230 19.000 -0.040 0.000 0.820 342 A HN 0.546 nan 8.150 nan 0.000 0.474 343 R N -0.314 120.161 120.500 -0.043 0.000 2.313 343 R HA 0.041 4.380 4.340 -0.000 0.000 0.199 343 R C -0.232 176.066 176.300 -0.004 0.000 0.958 343 R CA 0.170 56.264 56.100 -0.010 0.000 1.047 343 R CB 0.023 30.350 30.300 0.045 0.000 0.955 343 R HN 0.734 nan 8.270 nan 0.000 0.481 344 Q N 0.295 120.055 119.800 -0.067 0.000 2.368 344 Q HA 0.178 4.518 4.340 -0.000 0.000 0.256 344 Q C -1.123 174.821 176.000 -0.095 0.000 0.980 344 Q CA -0.489 55.300 55.803 -0.023 0.000 0.887 344 Q CB 1.391 30.117 28.738 -0.019 0.000 1.221 344 Q HN 0.204 nan 8.270 nan 0.000 0.458 345 H N 1.476 120.542 119.070 -0.007 0.000 2.511 345 H HA 0.419 4.975 4.556 -0.000 0.000 0.346 345 H C -0.290 175.001 175.328 -0.063 0.000 1.128 345 H CA -0.208 55.832 56.048 -0.013 0.000 1.342 345 H CB 0.937 30.685 29.762 -0.023 0.000 1.470 345 H HN 0.483 nan 8.280 nan 0.000 0.546 346 I N 1.408 122.002 120.570 0.041 0.000 2.436 346 I HA 0.251 4.421 4.170 -0.000 0.000 0.289 346 I C -0.221 175.825 176.117 -0.118 0.000 1.010 346 I CA -0.548 60.676 61.300 -0.126 0.000 1.098 346 I CB 1.821 39.713 38.000 -0.180 0.000 1.266 346 I HN 0.490 nan 8.210 nan 0.000 0.434 347 E N 7.178 127.264 120.200 -0.191 0.000 2.145 347 E HA 0.533 4.883 4.350 -0.000 0.000 0.262 347 E C -1.181 175.322 176.600 -0.162 0.000 0.883 347 E CA -0.456 55.877 56.400 -0.111 0.000 0.748 347 E CB 1.843 31.510 29.700 -0.054 0.000 1.140 347 E HN 0.551 nan 8.360 nan 0.000 0.417 348 M N 1.171 120.707 119.600 -0.106 0.000 2.821 348 M HA 0.432 4.912 4.480 -0.000 0.000 0.304 348 M C -0.418 175.873 176.300 -0.016 0.000 1.233 348 M CA -0.753 54.508 55.300 -0.066 0.000 0.851 348 M CB 2.308 34.897 32.600 -0.017 0.000 1.723 348 M HN 0.315 nan 8.290 nan 0.000 0.493 349 S N -0.870 114.834 115.700 0.007 0.000 2.584 349 S HA 0.333 4.803 4.470 -0.000 0.000 0.280 349 S C -0.194 174.400 174.600 -0.011 0.000 1.162 349 S CA -0.685 57.506 58.200 -0.016 0.000 0.951 349 S CB 1.231 64.394 63.200 -0.061 0.000 1.108 349 S HN 0.762 nan 8.310 nan 0.000 0.464 350 T N 2.145 116.693 114.554 -0.009 0.000 3.086 350 T HA 0.083 4.433 4.350 -0.000 0.000 0.250 350 T C 1.595 176.276 174.700 -0.032 0.000 1.074 350 T CA 0.798 62.893 62.100 -0.008 0.000 0.988 350 T CB -0.169 68.701 68.868 0.003 0.000 0.988 350 T HN 0.731 nan 8.240 nan 0.000 0.530 351 T N -0.796 113.726 114.554 -0.053 0.000 3.044 351 T HA 0.517 4.867 4.350 -0.000 0.000 0.255 351 T C 1.317 175.828 174.700 -0.315 0.000 1.073 351 T CA 0.429 62.492 62.100 -0.061 0.000 1.125 351 T CB 0.330 69.254 68.868 0.093 0.000 0.908 351 T HN 0.503 nan 8.240 nan 0.000 0.480 352 G N 0.463 108.944 108.800 -0.531 0.000 2.929 352 G HA2 0.472 4.432 3.960 -0.000 0.000 0.123 352 G HA3 0.472 4.432 3.960 -0.000 0.000 0.123 352 G C -1.625 173.103 174.900 -0.286 0.000 1.212 352 G CA -0.549 44.100 45.100 -0.752 0.000 1.238 352 G HN 0.476 nan 8.290 nan 0.000 0.617 353 W N 0.127 121.181 121.300 -0.411 0.000 2.367 353 W HA 0.764 5.424 4.660 -0.000 0.000 0.369 353 W C -0.231 176.222 176.519 -0.111 0.000 1.276 353 W CA -1.300 55.902 57.345 -0.238 0.000 1.415 353 W CB 0.777 30.042 29.460 -0.325 0.000 1.306 353 W HN 0.260 nan 8.180 nan 0.000 0.669 354 V N 2.464 122.418 119.914 0.066 0.000 2.567 354 V HA 0.704 4.824 4.120 -0.000 0.000 0.289 354 V C 0.854 176.975 176.094 0.044 0.000 1.049 354 V CA 0.109 62.406 62.300 -0.005 0.000 0.969 354 V CB 0.156 31.985 31.823 0.010 0.000 0.995 354 V HN 1.238 nan 8.190 nan 0.000 0.471 355 G N 4.073 112.872 108.800 -0.003 0.000 2.953 355 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.421 355 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.421 355 G C 0.527 175.482 174.900 0.093 0.000 1.531 355 G CA 0.363 45.491 45.100 0.046 0.000 0.971 355 G HN 0.735 nan 8.290 nan 0.000 0.558 356 R N -0.162 120.397 120.500 0.100 0.000 2.088 356 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 356 R C 2.018 178.273 176.300 -0.075 0.000 1.136 356 R CA 2.381 58.511 56.100 0.049 0.000 0.926 356 R CB -0.188 30.207 30.300 0.159 0.000 0.837 356 R HN 0.533 nan 8.270 nan 0.000 0.429 357 F N -1.049 119.029 119.950 0.213 0.000 2.784 357 F HA 0.251 4.778 4.527 -0.000 0.000 0.323 357 F C 0.357 176.186 175.800 0.048 0.000 1.085 357 F CA -0.483 57.600 58.000 0.139 0.000 1.196 357 F CB 0.772 39.855 39.000 0.138 0.000 1.053 357 F HN -0.030 nan 8.300 nan 0.000 0.578 358 R N -0.727 119.900 120.500 0.210 0.000 2.728 358 R HA 0.364 4.704 4.340 -0.000 0.000 0.259 358 R C -3.366 172.981 176.300 0.078 0.000 1.057 358 R CA -1.706 54.445 56.100 0.085 0.000 0.908 358 R CB 0.308 30.609 30.300 0.001 0.000 1.259 358 R HN -0.341 nan 8.270 nan 0.000 0.472 359 P HA -0.109 nan 4.420 nan 0.000 0.261 359 P C 0.154 177.459 177.300 0.008 0.000 1.165 359 P CA 0.446 63.557 63.100 0.017 0.000 0.759 359 P CB 0.732 32.423 31.700 -0.015 0.000 0.772 360 S N 2.632 118.349 115.700 0.029 0.000 2.548 360 S HA -0.077 4.392 4.470 -0.000 0.000 0.266 360 S C 0.270 174.862 174.600 -0.013 0.000 1.374 360 S CA -0.020 58.206 58.200 0.042 0.000 0.997 360 S CB 0.081 63.320 63.200 0.065 0.000 0.855 360 S HN 0.572 nan 8.310 nan 0.000 0.534 361 E N 1.473 121.681 120.200 0.014 0.000 2.235 361 E HA 0.621 4.971 4.350 -0.000 0.000 0.265 361 E C -3.063 173.476 176.600 -0.101 0.000 0.940 361 E CA -2.335 54.030 56.400 -0.059 0.000 0.819 361 E CB 1.607 31.294 29.700 -0.023 0.000 1.206 361 E HN 0.496 nan 8.360 nan 0.000 0.409 362 P HA 0.387 nan 4.420 nan 0.000 0.299 362 P C -1.413 175.702 177.300 -0.309 0.000 1.323 362 P CA -0.640 62.198 63.100 -0.437 0.000 0.896 362 P CB 0.917 32.048 31.700 -0.950 0.000 1.081 363 H N 1.266 120.267 119.070 -0.116 0.000 2.685 363 H HA 0.432 4.988 4.556 -0.000 0.000 0.307 363 H C -0.694 174.723 175.328 0.148 0.000 1.017 363 H CA -0.157 55.950 56.048 0.099 0.000 1.237 363 H CB 0.084 29.949 29.762 0.171 0.000 1.409 363 H HN 0.231 nan 8.280 nan 0.000 0.488 364 F N 1.654 121.790 119.950 0.311 0.000 2.385 364 F HA 0.188 4.715 4.527 -0.000 0.000 0.336 364 F C 1.324 177.319 175.800 0.325 0.000 1.100 364 F CA -0.648 57.557 58.000 0.341 0.000 1.116 364 F CB 1.125 40.270 39.000 0.242 0.000 1.166 364 F HN 0.438 nan 8.300 nan 0.000 0.511 365 T N 0.835 115.710 114.554 0.536 0.000 2.667 365 T HA 0.018 4.368 4.350 -0.000 0.000 0.305 365 T C 1.187 176.085 174.700 0.330 0.000 1.022 365 T CA -0.754 61.585 62.100 0.398 0.000 0.995 365 T CB 0.560 69.647 68.868 0.364 0.000 1.026 365 T HN 0.484 nan 8.240 nan 0.000 0.527 366 L N 1.570 122.938 121.223 0.242 0.000 1.970 366 L HA -0.045 4.295 4.340 -0.000 0.000 0.212 366 L C 2.259 179.239 176.870 0.183 0.000 1.071 366 L CA 2.556 57.510 54.840 0.190 0.000 0.751 366 L CB -1.868 40.277 42.059 0.144 0.000 0.889 366 L HN 0.976 nan 8.230 nan 0.000 0.432 367 D N -1.411 119.094 120.400 0.174 0.000 2.312 367 D HA 0.045 4.685 4.640 -0.000 0.000 0.211 367 D C 1.510 177.907 176.300 0.162 0.000 0.964 367 D CA 0.867 54.956 54.000 0.149 0.000 0.877 367 D CB -0.518 40.360 40.800 0.130 0.000 0.924 367 D HN 0.467 nan 8.370 nan 0.000 0.515 368 G N 0.355 109.294 108.800 0.232 0.000 2.198 368 G HA2 -0.336 3.623 3.960 -0.000 0.000 0.260 368 G HA3 -0.336 3.623 3.960 -0.000 0.000 0.260 368 G C 0.738 175.792 174.900 0.258 0.000 1.025 368 G CA 0.341 45.593 45.100 0.254 0.000 0.769 368 G HN 0.344 nan 8.290 nan 0.000 0.507 369 N N 0.033 118.875 118.700 0.235 0.000 2.398 369 N HA 0.145 4.885 4.740 -0.000 0.000 0.188 369 N C 0.685 176.286 175.510 0.152 0.000 1.122 369 N CA 1.121 54.277 53.050 0.177 0.000 0.866 369 N CB 0.365 38.919 38.487 0.113 0.000 0.970 369 N HN 0.696 nan 8.380 nan 0.000 0.462 370 S N -0.281 115.557 115.700 0.230 0.000 2.607 370 S HA 0.775 5.245 4.470 -0.000 0.000 0.273 370 S C -0.772 173.882 174.600 0.090 0.000 1.148 370 S CA -1.027 57.143 58.200 -0.050 0.000 0.833 370 S CB 2.097 65.289 63.200 -0.013 0.000 1.130 370 S HN 0.232 nan 8.310 nan 0.000 0.470 371 F N -1.929 117.850 119.950 -0.285 0.000 2.807 371 F HA 0.773 5.300 4.527 -0.000 0.000 0.316 371 F C -2.483 173.087 175.800 -0.382 0.000 1.162 371 F CA -1.513 56.245 58.000 -0.404 0.000 0.910 371 F CB 0.637 38.840 39.000 -1.327 0.000 1.314 371 F HN 0.553 nan 8.300 nan 0.000 0.454 372 Y N 1.016 121.576 120.300 0.434 0.000 2.468 372 Y HA 0.745 5.295 4.550 -0.000 0.000 0.342 372 Y C -0.263 175.855 175.900 0.363 0.000 1.021 372 Y CA -1.024 57.301 58.100 0.375 0.000 1.079 372 Y CB 2.224 40.807 38.460 0.206 0.000 1.226 372 Y HN 0.535 nan 8.280 nan 0.000 0.460 373 K N 2.119 122.803 120.400 0.472 0.000 2.527 373 K HA 0.525 4.845 4.320 -0.000 0.000 0.260 373 K C -1.626 175.109 176.600 0.226 0.000 0.937 373 K CA -0.705 55.773 56.287 0.318 0.000 0.826 373 K CB 2.385 35.092 32.500 0.344 0.000 1.359 373 K HN 0.647 nan 8.250 nan 0.000 0.434 374 I N 3.692 124.363 120.570 0.168 0.000 2.342 374 I HA 0.292 4.462 4.170 -0.000 0.000 0.291 374 I C -0.402 175.798 176.117 0.140 0.000 1.010 374 I CA -0.533 60.849 61.300 0.136 0.000 1.308 374 I CB 0.753 38.832 38.000 0.131 0.000 1.400 374 I HN 0.389 nan 8.210 nan 0.000 0.488 375 I N 4.483 125.153 120.570 0.167 0.000 2.802 375 I HA 0.173 4.343 4.170 -0.000 0.000 0.298 375 I C -0.006 176.255 176.117 0.239 0.000 1.176 375 I CA -0.198 61.216 61.300 0.189 0.000 1.025 375 I CB 2.320 40.434 38.000 0.191 0.000 1.243 375 I HN 0.390 nan 8.210 nan 0.000 0.424 376 S N 4.018 119.794 115.700 0.127 0.000 2.531 376 S HA 0.263 4.733 4.470 -0.000 0.000 0.279 376 S C 0.126 174.781 174.600 0.092 0.000 1.305 376 S CA -0.338 57.888 58.200 0.043 0.000 1.058 376 S CB -0.084 63.068 63.200 -0.079 0.000 0.899 376 S HN 0.751 nan 8.310 nan 0.000 0.493 377 N N 3.070 121.741 118.700 -0.047 0.000 2.465 377 N HA 0.274 5.014 4.740 -0.000 0.000 0.294 377 N C 0.610 175.995 175.510 -0.209 0.000 1.333 377 N CA -0.700 52.166 53.050 -0.307 0.000 0.932 377 N CB 0.206 38.230 38.487 -0.773 0.000 1.092 377 N HN 0.606 nan 8.380 nan 0.000 0.519 378 E N -1.003 119.039 120.200 -0.264 0.000 2.340 378 E HA -0.001 4.349 4.350 -0.000 0.000 0.194 378 E C 0.524 177.046 176.600 -0.129 0.000 0.996 378 E CA 0.391 56.696 56.400 -0.159 0.000 0.869 378 E CB 0.344 29.954 29.700 -0.150 0.000 0.835 378 E HN 0.497 nan 8.360 nan 0.000 0.493 379 E N -1.036 119.089 120.200 -0.124 0.000 2.479 379 E HA 0.170 4.520 4.350 -0.000 0.000 0.193 379 E C 0.747 177.322 176.600 -0.042 0.000 1.049 379 E CA 0.515 56.888 56.400 -0.046 0.000 0.870 379 E CB 1.013 30.706 29.700 -0.011 0.000 0.944 379 E HN 0.279 nan 8.360 nan 0.000 0.492 380 G N -0.539 108.174 108.800 -0.146 0.000 2.179 380 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.220 380 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.220 380 G C -0.295 174.315 174.900 -0.483 0.000 0.990 380 G CA -0.363 44.532 45.100 -0.343 0.000 0.646 380 G HN 0.220 nan 8.290 nan 0.000 0.517 381 Y N 0.322 120.504 120.300 -0.195 0.000 2.420 381 Y HA 0.739 5.289 4.550 -0.000 0.000 0.334 381 Y C 0.948 176.713 175.900 -0.225 0.000 1.094 381 Y CA -0.928 57.041 58.100 -0.218 0.000 1.126 381 Y CB 1.123 39.455 38.460 -0.213 0.000 1.217 381 Y HN 0.063 nan 8.280 nan 0.000 0.462 382 R N 2.002 122.416 120.500 -0.144 0.000 2.221 382 R HA 0.436 4.775 4.340 -0.000 0.000 0.327 382 R C -1.175 174.925 176.300 -0.333 0.000 1.033 382 R CA -0.313 55.722 56.100 -0.108 0.000 0.887 382 R CB 0.347 30.625 30.300 -0.036 0.000 1.057 382 R HN 0.706 nan 8.270 nan 0.000 0.455 383 H N 0.493 119.625 119.070 0.104 0.000 2.949 383 H HA 0.424 4.980 4.556 -0.000 0.000 0.310 383 H C -0.380 175.008 175.328 0.100 0.000 1.405 383 H CA -0.915 55.164 56.048 0.052 0.000 1.253 383 H CB 1.104 30.852 29.762 -0.023 0.000 1.932 383 H HN 0.315 nan 8.280 nan 0.000 0.602 384 I N 1.075 121.720 120.570 0.125 0.000 2.471 384 I HA 0.085 4.255 4.170 -0.000 0.000 0.286 384 I C -0.298 175.714 176.117 -0.174 0.000 1.079 384 I CA 0.158 61.453 61.300 -0.008 0.000 1.398 384 I CB 0.263 38.206 38.000 -0.096 0.000 1.403 384 I HN 0.258 nan 8.210 nan 0.000 0.530 385 c N 7.291 125.723 118.600 -0.280 0.000 2.351 385 c HA 0.351 4.921 4.570 -0.000 0.000 0.326 385 c C -0.198 173.672 174.090 -0.366 0.000 1.272 385 c CA -0.515 55.432 56.329 -0.636 0.000 1.650 385 c CB 0.477 42.354 42.510 -1.056 0.000 2.257 385 c HN 0.607 nan 8.230 nan 0.000 0.505 386 Y N 4.854 124.796 120.300 -0.596 0.000 2.336 386 Y HA 0.569 5.119 4.550 -0.000 0.000 0.335 386 Y C -0.811 174.583 175.900 -0.843 0.000 1.046 386 Y CA -0.461 57.223 58.100 -0.693 0.000 1.198 386 Y CB 0.111 38.269 38.460 -0.503 0.000 1.182 386 Y HN 0.616 nan 8.280 nan 0.000 0.502 387 F N 4.009 123.242 119.950 -1.195 0.000 2.508 387 F HA 0.472 4.999 4.527 -0.000 0.000 0.325 387 F C -0.200 174.732 175.800 -1.446 0.000 1.090 387 F CA -0.768 56.439 58.000 -1.323 0.000 0.945 387 F CB 1.903 39.748 39.000 -1.924 0.000 1.156 387 F HN 0.338 nan 8.300 nan 0.000 0.463 388 Q N 2.108 121.471 119.800 -0.728 0.000 2.331 388 Q HA 0.368 4.708 4.340 -0.000 0.000 0.267 388 Q C 0.569 176.455 176.000 -0.191 0.000 1.006 388 Q CA -0.584 54.919 55.803 -0.499 0.000 0.818 388 Q CB 1.633 30.148 28.738 -0.372 0.000 1.276 388 Q HN 0.588 nan 8.270 nan 0.000 0.450 389 I N 1.822 122.340 120.570 -0.086 0.000 2.143 389 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 389 I C 0.917 177.109 176.117 0.125 0.000 1.068 389 I CA 1.787 63.155 61.300 0.113 0.000 1.326 389 I CB -0.118 37.970 38.000 0.146 0.000 1.028 389 I HN 0.710 nan 8.210 nan 0.000 0.412 390 D N 1.024 121.453 120.400 0.049 0.000 2.427 390 D HA 0.093 4.733 4.640 -0.000 0.000 0.224 390 D C 0.160 176.462 176.300 0.003 0.000 1.157 390 D CA 0.190 54.206 54.000 0.027 0.000 0.828 390 D CB 0.282 41.093 40.800 0.018 0.000 0.974 390 D HN 0.350 nan 8.370 nan 0.000 0.498 391 K N 0.291 120.698 120.400 0.012 0.000 2.318 391 K HA 0.228 4.548 4.320 -0.000 0.000 0.249 391 K C 1.075 177.691 176.600 0.027 0.000 0.942 391 K CA -0.647 55.637 56.287 -0.005 0.000 0.808 391 K CB 2.507 34.984 32.500 -0.040 0.000 1.189 391 K HN -0.185 nan 8.250 nan 0.000 0.428 392 K N -0.090 120.301 120.400 -0.015 0.000 2.152 392 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 392 K C 0.037 176.669 176.600 0.054 0.000 1.048 392 K CA 1.516 57.785 56.287 -0.030 0.000 0.933 392 K CB 0.120 32.601 32.500 -0.033 0.000 0.721 392 K HN 0.406 nan 8.250 nan 0.000 0.447 393 D N -0.939 119.483 120.400 0.038 0.000 2.727 393 D HA 0.380 5.020 4.640 -0.000 0.000 0.264 393 D C -0.916 175.270 176.300 -0.190 0.000 1.101 393 D CA -0.476 53.524 54.000 -0.000 0.000 1.122 393 D CB 1.631 42.410 40.800 -0.035 0.000 1.390 393 D HN 0.389 nan 8.370 nan 0.000 0.606 394 c N -1.242 117.130 118.600 -0.381 0.000 2.898 394 c HA 0.877 5.447 4.570 -0.000 0.000 0.304 394 c C -0.210 173.591 174.090 -0.481 0.000 1.237 394 c CA -0.527 55.368 56.329 -0.724 0.000 1.529 394 c CB 1.032 42.539 42.510 -1.672 0.000 2.021 394 c HN 0.494 nan 8.230 nan 0.000 0.474 395 T N 1.599 115.906 114.554 -0.412 0.000 2.907 395 T HA 0.536 4.886 4.350 -0.000 0.000 0.284 395 T C -0.830 173.668 174.700 -0.338 0.000 1.004 395 T CA 0.034 62.003 62.100 -0.219 0.000 1.063 395 T CB 0.735 69.574 68.868 -0.047 0.000 0.992 395 T HN 0.523 nan 8.240 nan 0.000 0.483 396 F N 1.962 121.793 119.950 -0.198 0.000 2.390 396 F HA 0.331 4.858 4.527 -0.000 0.000 0.361 396 F C 1.028 176.642 175.800 -0.310 0.000 1.124 396 F CA -0.838 57.025 58.000 -0.228 0.000 1.149 396 F CB 0.553 39.427 39.000 -0.210 0.000 1.160 396 F HN 0.425 nan 8.300 nan 0.000 0.501 397 I N 1.283 121.690 120.570 -0.271 0.000 2.500 397 I HA -0.080 4.090 4.170 -0.000 0.000 0.252 397 I C 1.277 177.220 176.117 -0.290 0.000 1.142 397 I CA 0.898 61.887 61.300 -0.518 0.000 1.451 397 I CB -0.531 37.148 38.000 -0.535 0.000 1.093 397 I HN 0.540 nan 8.210 nan 0.000 0.430 398 T N -1.106 113.344 114.554 -0.172 0.000 2.916 398 T HA 0.782 5.132 4.350 -0.000 0.000 0.292 398 T C -0.465 173.879 174.700 -0.592 0.000 1.055 398 T CA -0.889 61.092 62.100 -0.199 0.000 1.009 398 T CB 2.782 71.649 68.868 -0.001 0.000 1.118 398 T HN 0.144 nan 8.240 nan 0.000 0.497 399 K N -0.126 119.782 120.400 -0.821 0.000 2.318 399 K HA 0.948 5.268 4.320 -0.000 0.000 0.265 399 K C 0.123 176.057 176.600 -1.110 0.000 1.055 399 K CA -0.726 54.785 56.287 -1.293 0.000 0.896 399 K CB 0.827 32.943 32.500 -0.640 0.000 1.479 399 K HN 1.489 nan 8.250 nan 0.000 0.449 400 G N -0.493 107.810 108.800 -0.829 0.000 2.525 400 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.685 400 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.685 400 G C -0.709 173.697 174.900 -0.824 0.000 1.290 400 G CA -0.465 44.265 45.100 -0.617 0.000 0.915 400 G HN 1.029 nan 8.290 nan 0.000 0.548 401 T N -0.363 113.782 114.554 -0.683 0.000 3.855 401 T HA 0.545 4.895 4.350 -0.000 0.000 0.306 401 T C -0.015 174.454 174.700 -0.385 0.000 1.575 401 T CA 0.547 62.076 62.100 -0.952 0.000 1.214 401 T CB -0.930 67.636 68.868 -0.503 0.000 1.262 401 T HN 1.561 nan 8.240 nan 0.000 0.883 402 W N 0.257 121.363 121.300 -0.324 0.000 3.953 402 W HA 0.415 5.075 4.660 -0.000 0.000 0.286 402 W C -0.878 175.603 176.519 -0.064 0.000 1.256 402 W CA -0.901 56.402 57.345 -0.070 0.000 1.244 402 W CB 0.549 29.986 29.460 -0.037 0.000 1.262 402 W HN 0.125 nan 8.180 nan 0.000 0.522 403 E N 1.517 121.883 120.200 0.276 0.000 2.369 403 E HA 0.363 4.713 4.350 -0.000 0.000 0.255 403 E C -0.293 176.497 176.600 0.316 0.000 1.172 403 E CA -0.775 55.663 56.400 0.063 0.000 0.932 403 E CB 2.041 31.835 29.700 0.157 0.000 1.040 403 E HN 0.211 nan 8.360 nan 0.000 0.454 404 V N 2.257 122.248 119.914 0.129 0.000 2.509 404 V HA 0.012 4.132 4.120 -0.000 0.000 0.284 404 V C 1.167 177.403 176.094 0.237 0.000 1.047 404 V CA -0.329 62.150 62.300 0.298 0.000 0.952 404 V CB 1.212 33.131 31.823 0.160 0.000 0.988 404 V HN 0.579 nan 8.190 nan 0.000 0.469 405 I N 2.393 123.107 120.570 0.240 0.000 2.585 405 I HA 0.324 4.494 4.170 -0.000 0.000 0.254 405 I C 1.076 177.313 176.117 0.200 0.000 1.129 405 I CA 1.103 62.512 61.300 0.180 0.000 1.455 405 I CB -0.883 37.149 38.000 0.053 0.000 1.111 405 I HN 0.786 nan 8.210 nan 0.000 0.433 406 G N 0.450 109.376 108.800 0.210 0.000 2.356 406 G HA2 0.526 4.486 3.960 -0.000 0.000 0.294 406 G HA3 0.526 4.486 3.960 -0.000 0.000 0.294 406 G C -1.605 173.403 174.900 0.180 0.000 1.423 406 G CA -0.537 44.679 45.100 0.194 0.000 0.806 406 G HN -0.072 nan 8.290 nan 0.000 0.527 407 I N 0.252 120.879 120.570 0.094 0.000 2.689 407 I HA 0.482 4.652 4.170 -0.000 0.000 0.299 407 I C 0.100 176.158 176.117 -0.099 0.000 1.059 407 I CA -0.869 60.380 61.300 -0.084 0.000 1.055 407 I CB 2.484 40.214 38.000 -0.450 0.000 1.243 407 I HN 0.633 nan 8.210 nan 0.000 0.425 408 E N 3.129 123.282 120.200 -0.079 0.000 2.502 408 E HA 0.370 4.720 4.350 -0.000 0.000 0.206 408 E C -0.258 176.275 176.600 -0.112 0.000 0.821 408 E CA 0.173 56.597 56.400 0.042 0.000 1.354 408 E CB 1.339 31.163 29.700 0.207 0.000 1.336 408 E HN 0.564 nan 8.360 nan 0.000 0.675 409 A N 1.119 123.704 122.820 -0.392 0.000 2.587 409 A HA 0.770 5.090 4.320 -0.000 0.000 0.293 409 A C -1.567 175.833 177.584 -0.307 0.000 1.087 409 A CA -0.758 50.923 52.037 -0.592 0.000 0.692 409 A CB 1.429 19.377 19.000 -1.753 0.000 1.291 409 A HN 0.149 nan 8.150 nan 0.000 0.407 410 L N -0.366 120.758 121.223 -0.166 0.000 2.513 410 L HA 0.924 5.264 4.340 -0.000 0.000 0.261 410 L C -0.322 176.568 176.870 0.034 0.000 0.945 410 L CA -0.010 54.820 54.840 -0.017 0.000 0.848 410 L CB 2.106 44.175 42.059 0.016 0.000 1.334 410 L HN 1.085 nan 8.230 nan 0.000 0.407 411 T N -1.143 113.466 114.554 0.091 0.000 2.762 411 T HA 0.474 4.824 4.350 -0.000 0.000 0.272 411 T C 0.925 175.678 174.700 0.087 0.000 0.982 411 T CA -0.020 62.138 62.100 0.096 0.000 1.013 411 T CB 1.064 70.016 68.868 0.139 0.000 1.309 411 T HN 0.761 nan 8.240 nan 0.000 0.572 412 S N 0.100 115.841 115.700 0.067 0.000 2.423 412 S HA -0.047 4.423 4.470 -0.000 0.000 0.231 412 S C 0.930 175.505 174.600 -0.042 0.000 1.014 412 S CA 0.903 59.124 58.200 0.035 0.000 0.965 412 S CB -0.426 62.792 63.200 0.029 0.000 0.785 412 S HN 0.744 nan 8.310 nan 0.000 0.495 413 D N -0.772 119.581 120.400 -0.079 0.000 2.388 413 D HA 0.194 4.834 4.640 -0.000 0.000 0.208 413 D C -0.648 175.243 176.300 -0.683 0.000 1.035 413 D CA 0.542 54.328 54.000 -0.357 0.000 0.875 413 D CB 0.273 40.858 40.800 -0.358 0.000 0.984 413 D HN 0.363 nan 8.370 nan 0.000 0.508 414 Y N 0.382 120.693 120.300 0.019 0.000 2.457 414 Y HA 0.419 4.969 4.550 -0.000 0.000 0.343 414 Y C -0.430 175.472 175.900 0.003 0.000 0.994 414 Y CA -0.858 57.230 58.100 -0.021 0.000 1.031 414 Y CB 2.130 40.582 38.460 -0.013 0.000 1.246 414 Y HN -0.245 nan 8.280 nan 0.000 0.449 415 L N 3.873 125.139 121.223 0.070 0.000 2.325 415 L HA 0.594 4.934 4.340 -0.000 0.000 0.279 415 L C -1.703 175.250 176.870 0.138 0.000 1.054 415 L CA -0.639 54.216 54.840 0.026 0.000 0.804 415 L CB 0.701 42.618 42.059 -0.237 0.000 1.200 415 L HN 0.551 nan 8.230 nan 0.000 0.436 416 Y N 4.520 124.764 120.300 -0.094 0.000 2.331 416 Y HA 0.482 5.032 4.550 -0.000 0.000 0.334 416 Y C -0.592 175.328 175.900 0.034 0.000 0.960 416 Y CA -0.975 57.081 58.100 -0.073 0.000 1.130 416 Y CB 1.181 39.483 38.460 -0.263 0.000 1.164 416 Y HN 0.462 nan 8.280 nan 0.000 0.458 417 Y N 0.232 120.577 120.300 0.075 0.000 2.576 417 Y HA 0.876 5.426 4.550 -0.000 0.000 0.346 417 Y C -1.452 174.514 175.900 0.111 0.000 1.018 417 Y CA -2.331 55.810 58.100 0.070 0.000 1.050 417 Y CB 1.048 39.542 38.460 0.056 0.000 1.280 417 Y HN 0.407 nan 8.280 nan 0.000 0.474 418 I N 2.987 123.635 120.570 0.129 0.000 2.385 418 I HA 0.566 4.736 4.170 -0.000 0.000 0.294 418 I C 0.175 176.410 176.117 0.197 0.000 0.988 418 I CA -0.079 61.247 61.300 0.043 0.000 1.265 418 I CB 1.658 39.658 38.000 -0.000 0.000 1.388 418 I HN 0.853 nan 8.210 nan 0.000 0.480 419 S N 3.495 119.302 115.700 0.178 0.000 2.740 419 S HA 0.484 4.954 4.470 -0.000 0.000 0.300 419 S C -0.422 174.220 174.600 0.070 0.000 1.147 419 S CA -0.847 57.456 58.200 0.172 0.000 0.871 419 S CB 1.466 64.702 63.200 0.060 0.000 1.173 419 S HN 0.740 nan 8.310 nan 0.000 0.510 420 N N -0.778 117.955 118.700 0.055 0.000 2.535 420 N HA 0.259 4.999 4.740 -0.000 0.000 0.294 420 N C 0.462 175.967 175.510 -0.008 0.000 1.408 420 N CA -0.592 52.468 53.050 0.016 0.000 0.927 420 N CB 0.651 39.155 38.487 0.027 0.000 1.276 420 N HN 0.706 nan 8.380 nan 0.000 0.505 421 E N 0.246 120.334 120.200 -0.186 0.000 2.127 421 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 421 E C -0.370 176.148 176.600 -0.137 0.000 0.964 421 E CA -0.139 55.982 56.400 -0.464 0.000 0.832 421 E CB 0.048 28.878 29.700 -1.452 0.000 0.790 421 E HN 0.463 nan 8.360 nan 0.000 0.465 422 Y N 3.319 123.560 120.300 -0.099 0.000 2.847 422 Y HA -0.196 4.354 4.550 -0.000 0.000 0.370 422 Y C 0.230 176.115 175.900 -0.025 0.000 1.335 422 Y CA 0.893 58.969 58.100 -0.039 0.000 1.693 422 Y CB -0.237 38.203 38.460 -0.033 0.000 1.209 422 Y HN 0.087 nan 8.280 nan 0.000 0.517 423 K N 3.371 123.519 120.400 -0.420 0.000 3.209 423 K HA -0.236 4.084 4.320 -0.000 0.000 0.289 423 K C 0.927 177.502 176.600 -0.041 0.000 1.191 423 K CA 0.780 56.901 56.287 -0.276 0.000 0.851 423 K CB -2.073 30.231 32.500 -0.326 0.000 1.242 423 K HN 1.324 nan 8.250 nan 0.000 0.480 424 G N 0.821 109.616 108.800 -0.009 0.000 2.187 424 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.261 424 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.261 424 G C 0.125 175.066 174.900 0.068 0.000 1.000 424 G CA 0.838 45.983 45.100 0.076 0.000 0.718 424 G HN 0.391 nan 8.290 nan 0.000 0.519 425 M N 0.697 120.275 119.600 -0.037 0.000 2.201 425 M HA 0.248 4.728 4.480 -0.000 0.000 0.345 425 M C -1.230 174.883 176.300 -0.312 0.000 1.352 425 M CA -1.924 53.220 55.300 -0.260 0.000 1.218 425 M CB 1.351 33.881 32.600 -0.118 0.000 1.512 425 M HN -0.069 nan 8.290 nan 0.000 0.447 426 P HA 0.065 nan 4.420 nan 0.000 0.227 426 P C 1.246 178.417 177.300 -0.217 0.000 1.161 426 P CA 0.643 63.587 63.100 -0.260 0.000 0.788 426 P CB 0.163 31.716 31.700 -0.245 0.000 0.822 427 G N -0.034 108.555 108.800 -0.351 0.000 2.443 427 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.219 427 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.219 427 G C 0.903 175.811 174.900 0.013 0.000 1.131 427 G CA 0.409 45.438 45.100 -0.118 0.000 0.775 427 G HN 0.424 nan 8.290 nan 0.000 0.547 428 G N -0.541 108.221 108.800 -0.063 0.000 2.476 428 G HA2 0.546 4.506 3.960 -0.000 0.000 0.269 428 G HA3 0.546 4.506 3.960 -0.000 0.000 0.269 428 G C -0.749 174.055 174.900 -0.160 0.000 1.195 428 G CA -0.515 44.569 45.100 -0.027 0.000 0.843 428 G HN 0.154 nan 8.290 nan 0.000 0.545 429 R N 0.435 120.746 120.500 -0.315 0.000 2.628 429 R HA 0.517 4.857 4.340 -0.000 0.000 0.288 429 R C -0.561 175.604 176.300 -0.225 0.000 0.980 429 R CA -0.835 55.016 56.100 -0.415 0.000 0.891 429 R CB 1.723 31.444 30.300 -0.964 0.000 1.188 429 R HN 0.626 nan 8.270 nan 0.000 0.450 430 N N 1.143 119.742 118.700 -0.168 0.000 2.610 430 N HA 0.375 5.115 4.740 -0.000 0.000 0.264 430 N C -1.696 173.572 175.510 -0.404 0.000 1.348 430 N CA -0.734 52.150 53.050 -0.277 0.000 0.819 430 N CB 2.552 40.761 38.487 -0.464 0.000 1.521 430 N HN 0.279 nan 8.380 nan 0.000 0.497 431 L N 1.036 121.893 121.223 -0.611 0.000 2.322 431 L HA 0.617 4.957 4.340 -0.000 0.000 0.279 431 L C -1.495 174.877 176.870 -0.831 0.000 1.036 431 L CA -0.067 54.439 54.840 -0.557 0.000 0.807 431 L CB 0.644 42.419 42.059 -0.473 0.000 1.226 431 L HN 0.507 nan 8.230 nan 0.000 0.433 432 Y N 2.476 122.378 120.300 -0.662 0.000 2.638 432 Y HA 0.620 5.170 4.550 -0.000 0.000 0.339 432 Y C -0.584 174.943 175.900 -0.621 0.000 1.084 432 Y CA -0.920 56.749 58.100 -0.718 0.000 1.068 432 Y CB 1.875 39.685 38.460 -1.082 0.000 1.294 432 Y HN 0.486 nan 8.280 nan 0.000 0.480 433 K N 2.099 122.353 120.400 -0.243 0.000 2.535 433 K HA 0.598 4.918 4.320 -0.000 0.000 0.250 433 K C -2.023 174.584 176.600 0.011 0.000 0.948 433 K CA -0.367 55.709 56.287 -0.352 0.000 0.796 433 K CB 1.374 33.532 32.500 -0.571 0.000 1.216 433 K HN 0.652 nan 8.250 nan 0.000 0.432 434 I N 3.647 124.303 120.570 0.144 0.000 2.389 434 I HA 0.214 4.384 4.170 -0.000 0.000 0.288 434 I C 0.131 176.355 176.117 0.179 0.000 0.999 434 I CA -0.924 60.496 61.300 0.200 0.000 1.129 434 I CB 1.880 39.978 38.000 0.163 0.000 1.288 434 I HN 0.421 nan 8.210 nan 0.000 0.444 435 Q N 5.214 125.088 119.800 0.123 0.000 2.297 435 Q HA 0.201 4.541 4.340 -0.000 0.000 0.267 435 Q C 0.836 176.760 176.000 -0.127 0.000 1.006 435 Q CA 0.055 55.761 55.803 -0.161 0.000 0.896 435 Q CB 1.723 30.408 28.738 -0.088 0.000 1.186 435 Q HN 0.701 nan 8.270 nan 0.000 0.392 436 L N 1.387 122.467 121.223 -0.238 0.000 2.240 436 L HA -0.139 4.201 4.340 -0.000 0.000 0.211 436 L C 2.129 178.796 176.870 -0.338 0.000 1.106 436 L CA 0.785 55.540 54.840 -0.141 0.000 0.793 436 L CB -0.215 41.770 42.059 -0.124 0.000 0.927 436 L HN 0.591 nan 8.230 nan 0.000 0.446 437 S N -1.654 113.866 115.700 -0.301 0.000 2.387 437 S HA -0.091 4.379 4.470 -0.000 0.000 0.226 437 S C 0.732 175.137 174.600 -0.326 0.000 1.026 437 S CA 0.481 58.506 58.200 -0.292 0.000 0.972 437 S CB -0.099 62.981 63.200 -0.201 0.000 0.814 437 S HN 0.335 nan 8.310 nan 0.000 0.477 438 D N -0.380 119.866 120.400 -0.258 0.000 2.473 438 D HA 0.276 4.916 4.640 -0.000 0.000 0.253 438 D C -0.526 175.732 176.300 -0.070 0.000 1.233 438 D CA -0.747 53.139 54.000 -0.191 0.000 0.908 438 D CB 0.571 41.315 40.800 -0.093 0.000 1.170 438 D HN -0.018 nan 8.370 nan 0.000 0.558 439 Y N 1.394 121.667 120.300 -0.045 0.000 2.574 439 Y HA -0.088 4.462 4.550 -0.000 0.000 0.294 439 Y C 2.408 178.303 175.900 -0.009 0.000 1.142 439 Y CA 1.182 59.262 58.100 -0.034 0.000 1.314 439 Y CB -0.536 37.901 38.460 -0.038 0.000 0.991 439 Y HN 0.416 nan 8.280 nan 0.000 0.555 440 T N -2.901 111.728 114.554 0.126 0.000 3.088 440 T HA 0.020 4.370 4.350 -0.000 0.000 0.259 440 T C 0.624 175.369 174.700 0.075 0.000 1.122 440 T CA 0.124 62.274 62.100 0.084 0.000 1.095 440 T CB 0.013 68.910 68.868 0.049 0.000 0.930 440 T HN -0.147 nan 8.240 nan 0.000 0.508 441 K N 2.387 122.832 120.400 0.075 0.000 2.250 441 K HA 0.537 4.857 4.320 -0.000 0.000 0.280 441 K C -1.163 175.498 176.600 0.102 0.000 1.098 441 K CA -0.376 55.954 56.287 0.071 0.000 0.916 441 K CB 1.264 33.793 32.500 0.049 0.000 1.209 441 K HN 0.095 nan 8.250 nan 0.000 0.461 442 V N 3.041 123.012 119.914 0.096 0.000 2.447 442 V HA 0.211 4.331 4.120 -0.000 0.000 0.292 442 V C -0.439 175.713 176.094 0.097 0.000 1.021 442 V CA -0.666 61.703 62.300 0.115 0.000 0.850 442 V CB 2.024 33.919 31.823 0.119 0.000 1.005 442 V HN 0.604 nan 8.190 nan 0.000 0.426 443 T N 3.794 118.387 114.554 0.065 0.000 2.758 443 T HA 0.220 4.570 4.350 -0.000 0.000 0.285 443 T C -0.135 174.543 174.700 -0.036 0.000 0.981 443 T CA -0.193 61.908 62.100 0.003 0.000 0.965 443 T CB 1.083 69.908 68.868 -0.072 0.000 0.927 443 T HN 0.707 nan 8.240 nan 0.000 0.448 444 C N 5.465 124.725 119.300 -0.068 0.000 2.566 444 C HA 0.332 4.792 4.460 -0.000 0.000 0.393 444 C C 1.679 176.419 174.990 -0.415 0.000 1.309 444 C CA -0.510 58.265 59.018 -0.406 0.000 1.801 444 C CB -1.776 25.696 27.740 -0.445 0.000 2.493 444 C HN 0.945 nan 8.230 nan 0.000 0.575 445 L N 4.819 125.722 121.223 -0.533 0.000 2.554 445 L HA 0.120 4.460 4.340 -0.000 0.000 0.225 445 L C 2.002 178.584 176.870 -0.479 0.000 1.104 445 L CA 0.691 55.280 54.840 -0.418 0.000 0.866 445 L CB -0.414 41.397 42.059 -0.414 0.000 1.047 445 L HN 0.859 nan 8.230 nan 0.000 0.468 446 S N -2.795 112.507 115.700 -0.664 0.000 2.663 446 S HA -0.027 4.443 4.470 -0.000 0.000 0.247 446 S C 1.816 176.057 174.600 -0.598 0.000 1.074 446 S CA 0.073 57.770 58.200 -0.839 0.000 0.955 446 S CB -0.333 61.933 63.200 -1.557 0.000 0.901 446 S HN 0.305 nan 8.310 nan 0.000 0.505 447 C N 2.753 121.687 119.300 -0.610 0.000 2.397 447 C HA -0.072 4.388 4.460 -0.000 0.000 0.279 447 C C 2.118 176.832 174.990 -0.459 0.000 1.206 447 C CA 1.311 59.922 59.018 -0.679 0.000 1.818 447 C CB -0.972 26.338 27.740 -0.717 0.000 2.087 447 C HN 0.628 nan 8.230 nan 0.000 0.488 448 E N -0.552 119.479 120.200 -0.281 0.000 2.562 448 E HA 0.198 4.548 4.350 -0.000 0.000 0.214 448 E C 1.716 178.267 176.600 -0.082 0.000 0.979 448 E CA -0.160 56.152 56.400 -0.147 0.000 1.002 448 E CB -0.100 29.543 29.700 -0.095 0.000 1.048 448 E HN 0.626 nan 8.360 nan 0.000 0.488 449 L N 0.817 121.993 121.223 -0.079 0.000 2.263 449 L HA -0.083 4.257 4.340 -0.000 0.000 0.216 449 L C 0.777 177.653 176.870 0.009 0.000 1.111 449 L CA 0.982 55.815 54.840 -0.013 0.000 0.773 449 L CB -0.130 41.950 42.059 0.036 0.000 0.906 449 L HN 0.072 nan 8.230 nan 0.000 0.439 450 N N -1.731 116.972 118.700 0.006 0.000 4.099 450 N HA 0.010 4.749 4.740 -0.000 0.000 0.152 450 N C -2.228 173.274 175.510 -0.013 0.000 1.436 450 N CA -0.471 52.577 53.050 -0.003 0.000 0.953 450 N CB 0.665 39.150 38.487 -0.003 0.000 1.748 450 N HN -0.254 nan 8.380 nan 0.000 0.751 451 P HA -0.100 nan 4.420 nan 0.000 0.218 451 P C 0.681 177.984 177.300 0.005 0.000 1.148 451 P CA 1.370 64.467 63.100 -0.005 0.000 0.822 451 P CB 0.669 32.390 31.700 0.036 0.000 0.784 452 E N -1.112 119.085 120.200 -0.005 0.000 2.250 452 E HA 0.004 4.354 4.350 -0.000 0.000 0.192 452 E C 2.279 178.856 176.600 -0.038 0.000 0.986 452 E CA 0.235 56.629 56.400 -0.010 0.000 0.849 452 E CB -0.075 29.619 29.700 -0.010 0.000 0.797 452 E HN 0.093 nan 8.360 nan 0.000 0.482 453 R N -0.513 119.951 120.500 -0.060 0.000 2.282 453 R HA 0.169 4.509 4.340 -0.000 0.000 0.195 453 R C -0.514 175.704 176.300 -0.137 0.000 0.909 453 R CA 0.373 56.413 56.100 -0.099 0.000 1.039 453 R CB 0.540 30.776 30.300 -0.106 0.000 1.015 453 R HN 0.080 nan 8.270 nan 0.000 0.513 454 c N 1.155 119.674 118.600 -0.135 0.000 2.383 454 c HA 0.430 5.000 4.570 -0.000 0.000 0.330 454 c C -0.209 173.746 174.090 -0.225 0.000 1.168 454 c CA -0.663 55.507 56.329 -0.265 0.000 1.374 454 c CB 1.329 43.658 42.510 -0.302 0.000 2.014 454 c HN 0.486 nan 8.230 nan 0.000 0.439 455 Q N 0.568 120.239 119.800 -0.216 0.000 2.057 455 Q HA 0.238 4.578 4.340 -0.000 0.000 0.216 455 Q C -1.093 174.879 176.000 -0.045 0.000 0.788 455 Q CA 0.028 55.775 55.803 -0.094 0.000 1.053 455 Q CB 1.207 29.947 28.738 0.003 0.000 1.210 455 Q HN 0.799 nan 8.270 nan 0.000 0.455 456 Y N 0.260 120.354 120.300 -0.344 0.000 2.317 456 Y HA 0.353 4.903 4.550 -0.000 0.000 0.329 456 Y C -1.758 173.938 175.900 -0.339 0.000 1.101 456 Y CA -0.922 57.035 58.100 -0.240 0.000 1.228 456 Y CB 0.911 39.272 38.460 -0.165 0.000 1.123 456 Y HN -0.021 nan 8.280 nan 0.000 0.457 457 Y N 2.381 122.571 120.300 -0.184 0.000 2.377 457 Y HA 0.549 5.099 4.550 -0.000 0.000 0.339 457 Y C 0.249 176.078 175.900 -0.118 0.000 1.011 457 Y CA -0.583 57.434 58.100 -0.138 0.000 1.093 457 Y CB 2.180 40.520 38.460 -0.198 0.000 1.201 457 Y HN 0.473 nan 8.280 nan 0.000 0.455 458 S N 2.501 118.272 115.700 0.118 0.000 2.578 458 S HA 0.861 5.331 4.470 -0.000 0.000 0.301 458 S C -1.372 173.288 174.600 0.100 0.000 1.091 458 S CA -0.465 57.797 58.200 0.104 0.000 1.032 458 S CB 1.607 64.883 63.200 0.128 0.000 1.064 458 S HN 0.549 nan 8.310 nan 0.000 0.508 459 V N 1.465 121.438 119.914 0.100 0.000 3.158 459 V HA 0.925 5.045 4.120 -0.000 0.000 0.311 459 V C -0.979 175.198 176.094 0.137 0.000 1.181 459 V CA -0.288 62.056 62.300 0.073 0.000 1.054 459 V CB 2.472 34.286 31.823 -0.014 0.000 1.085 459 V HN 1.097 nan 8.190 nan 0.000 0.446 460 S N 2.012 117.763 115.700 0.085 0.000 2.545 460 S HA 0.530 5.000 4.470 -0.000 0.000 0.259 460 S C -1.510 173.245 174.600 0.259 0.000 1.092 460 S CA -0.417 57.938 58.200 0.258 0.000 1.054 460 S CB 0.252 63.666 63.200 0.356 0.000 1.146 460 S HN 0.444 nan 8.310 nan 0.000 0.447 461 F N 3.277 123.279 119.950 0.086 0.000 2.379 461 F HA 0.521 5.048 4.527 -0.000 0.000 0.332 461 F C 1.354 176.583 175.800 -0.950 0.000 1.096 461 F CA -0.201 57.632 58.000 -0.278 0.000 1.105 461 F CB 1.710 40.564 39.000 -0.245 0.000 1.189 461 F HN 0.592 nan 8.300 nan 0.000 0.515 462 S N 1.649 116.537 115.700 -1.354 0.000 2.624 462 S HA 0.296 4.765 4.470 -0.000 0.000 0.263 462 S C -0.265 174.104 174.600 -0.385 0.000 1.287 462 S CA -1.172 56.197 58.200 -1.385 0.000 0.990 462 S CB 0.395 62.873 63.200 -1.203 0.000 0.950 462 S HN 0.509 nan 8.310 nan 0.000 0.561 463 K N 1.405 121.729 120.400 -0.127 0.000 2.611 463 K HA -0.111 4.209 4.320 -0.000 0.000 0.280 463 K C 0.646 177.219 176.600 -0.044 0.000 0.964 463 K CA 1.036 57.318 56.287 -0.008 0.000 1.029 463 K CB -0.143 32.402 32.500 0.076 0.000 0.862 463 K HN 0.813 nan 8.250 nan 0.000 0.501 464 E N 0.083 120.270 120.200 -0.021 0.000 3.449 464 E HA -0.361 3.989 4.350 -0.000 0.000 0.289 464 E C 0.046 176.591 176.600 -0.092 0.000 0.870 464 E CA 0.622 57.003 56.400 -0.032 0.000 0.946 464 E CB -1.351 28.345 29.700 -0.006 0.000 1.476 464 E HN 0.836 nan 8.360 nan 0.000 0.466 465 A N -0.503 122.242 122.820 -0.126 0.000 2.846 465 A HA -0.350 3.970 4.320 -0.000 0.000 0.287 465 A C 1.079 178.601 177.584 -0.102 0.000 1.469 465 A CA 2.012 53.983 52.037 -0.109 0.000 0.757 465 A CB -1.709 17.038 19.000 -0.421 0.000 1.033 465 A HN 0.334 nan 8.150 nan 0.000 0.516 466 K N -1.482 118.801 120.400 -0.195 0.000 2.097 466 K HA 0.104 4.424 4.320 -0.000 0.000 0.205 466 K C 0.196 176.361 176.600 -0.725 0.000 1.050 466 K CA 1.810 57.829 56.287 -0.447 0.000 0.938 466 K CB -0.009 32.234 32.500 -0.429 0.000 0.718 466 K HN 0.754 nan 8.250 nan 0.000 0.442 467 Y N -0.864 119.403 120.300 -0.055 0.000 2.512 467 Y HA 0.298 4.848 4.550 -0.000 0.000 0.348 467 Y C -0.918 174.917 175.900 -0.109 0.000 0.990 467 Y CA -1.642 56.436 58.100 -0.035 0.000 1.033 467 Y CB 1.512 40.057 38.460 0.141 0.000 1.259 467 Y HN -0.075 nan 8.280 nan 0.000 0.461 468 Y N -0.244 120.042 120.300 -0.023 0.000 2.446 468 Y HA 0.573 5.123 4.550 -0.000 0.000 0.345 468 Y C -0.787 175.143 175.900 0.049 0.000 0.984 468 Y CA -1.432 56.453 58.100 -0.357 0.000 1.058 468 Y CB 1.456 39.182 38.460 -1.224 0.000 1.220 468 Y HN 0.591 nan 8.280 nan 0.000 0.455 469 Q N 4.681 124.628 119.800 0.245 0.000 2.314 469 Q HA 0.497 4.837 4.340 -0.000 0.000 0.259 469 Q C -1.772 174.328 176.000 0.167 0.000 0.951 469 Q CA -0.556 55.362 55.803 0.192 0.000 0.909 469 Q CB 1.144 29.955 28.738 0.122 0.000 1.236 469 Q HN 0.993 nan 8.270 nan 0.000 0.444 470 L N 3.449 124.791 121.223 0.199 0.000 2.375 470 L HA 0.574 4.914 4.340 -0.000 0.000 0.268 470 L C 0.044 176.968 176.870 0.090 0.000 1.058 470 L CA -0.651 54.281 54.840 0.153 0.000 0.803 470 L CB 1.365 43.516 42.059 0.153 0.000 1.212 470 L HN 0.659 nan 8.230 nan 0.000 0.451 471 R N 1.717 122.243 120.500 0.043 0.000 2.625 471 R HA 0.305 4.645 4.340 -0.000 0.000 0.286 471 R C -0.884 175.263 176.300 -0.254 0.000 1.406 471 R CA -0.452 55.482 56.100 -0.277 0.000 1.052 471 R CB 0.995 31.230 30.300 -0.110 0.000 1.203 471 R HN 0.754 nan 8.270 nan 0.000 0.502 472 c N 1.437 119.804 118.600 -0.389 0.000 2.705 472 c HA 0.444 5.014 4.570 -0.000 0.000 0.365 472 c C 0.988 174.873 174.090 -0.342 0.000 1.353 472 c CA 0.341 56.371 56.329 -0.498 0.000 2.339 472 c CB 1.083 43.336 42.510 -0.428 0.000 2.576 472 c HN 1.016 nan 8.230 nan 0.000 0.716 473 S N -0.372 115.183 115.700 -0.242 0.000 2.227 473 S HA 0.339 4.809 4.470 -0.000 0.000 0.267 473 S C -0.085 174.466 174.600 -0.081 0.000 0.987 473 S CA 0.499 58.632 58.200 -0.112 0.000 1.448 473 S CB 0.282 63.460 63.200 -0.037 0.000 1.118 473 S HN 1.353 nan 8.310 nan 0.000 0.555 474 G N 1.530 110.268 108.800 -0.103 0.000 2.667 474 G HA2 0.527 4.487 3.960 -0.000 0.000 0.294 474 G HA3 0.527 4.487 3.960 -0.000 0.000 0.294 474 G C -3.215 171.637 174.900 -0.080 0.000 1.467 474 G CA -0.852 44.216 45.100 -0.053 0.000 0.852 474 G HN -0.109 nan 8.290 nan 0.000 0.521 475 P HA 0.216 nan 4.420 nan 0.000 0.267 475 P C 1.034 178.303 177.300 -0.052 0.000 1.289 475 P CA 0.390 63.489 63.100 -0.000 0.000 0.866 475 P CB 1.191 32.899 31.700 0.013 0.000 1.309 476 G N 0.317 109.015 108.800 -0.169 0.000 2.606 476 G HA2 0.514 4.474 3.960 -0.000 0.000 0.262 476 G HA3 0.514 4.474 3.960 -0.000 0.000 0.262 476 G C -0.542 174.052 174.900 -0.511 0.000 1.394 476 G CA -0.755 44.153 45.100 -0.319 0.000 1.044 476 G HN 0.034 nan 8.290 nan 0.000 0.553 477 L N 1.312 122.225 121.223 -0.517 0.000 2.417 477 L HA 0.265 4.604 4.340 -0.000 0.000 0.268 477 L C -1.941 174.785 176.870 -0.240 0.000 1.158 477 L CA -1.469 53.090 54.840 -0.468 0.000 0.819 477 L CB 1.047 42.899 42.059 -0.344 0.000 1.112 477 L HN 0.233 nan 8.230 nan 0.000 0.458 478 P HA 0.183 nan 4.420 nan 0.000 0.270 478 P C -1.015 176.205 177.300 -0.133 0.000 1.223 478 P CA -0.081 62.939 63.100 -0.133 0.000 0.785 478 P CB 0.611 32.313 31.700 0.004 0.000 0.923 479 L N 2.496 123.539 121.223 -0.300 0.000 2.476 479 L HA 0.396 4.736 4.340 -0.000 0.000 0.269 479 L C -1.343 175.320 176.870 -0.345 0.000 0.965 479 L CA -0.532 54.188 54.840 -0.200 0.000 0.845 479 L CB 1.196 43.164 42.059 -0.151 0.000 1.259 479 L HN 0.312 nan 8.230 nan 0.000 0.403 480 Y N 2.083 122.339 120.300 -0.073 0.000 2.356 480 Y HA 0.553 5.103 4.550 -0.000 0.000 0.334 480 Y C 0.478 176.264 175.900 -0.190 0.000 0.958 480 Y CA -0.634 57.395 58.100 -0.119 0.000 1.196 480 Y CB 1.806 40.160 38.460 -0.176 0.000 1.137 480 Y HN 0.450 nan 8.280 nan 0.000 0.485 481 T N 1.316 115.864 114.554 -0.010 0.000 2.924 481 T HA 0.734 5.084 4.350 -0.000 0.000 0.291 481 T C -1.272 173.384 174.700 -0.074 0.000 1.045 481 T CA -0.942 61.100 62.100 -0.097 0.000 1.015 481 T CB 2.223 71.040 68.868 -0.085 0.000 1.103 481 T HN 0.381 nan 8.240 nan 0.000 0.496 482 L N 1.988 123.062 121.223 -0.247 0.000 2.381 482 L HA 0.671 5.011 4.340 -0.000 0.000 0.274 482 L C -1.417 175.287 176.870 -0.278 0.000 0.988 482 L CA -0.319 54.454 54.840 -0.110 0.000 0.824 482 L CB 1.364 43.357 42.059 -0.109 0.000 1.263 482 L HN 0.856 nan 8.230 nan 0.000 0.410 483 H N 0.816 119.675 119.070 -0.352 0.000 2.894 483 H HA 0.748 5.304 4.556 -0.000 0.000 0.368 483 H C -0.650 174.487 175.328 -0.318 0.000 1.181 483 H CA -1.062 54.725 56.048 -0.435 0.000 1.146 483 H CB 1.597 30.926 29.762 -0.721 0.000 1.839 483 H HN 0.480 nan 8.280 nan 0.000 0.557 484 S N -0.416 115.290 115.700 0.009 0.000 2.549 484 S HA 0.308 4.778 4.470 -0.000 0.000 0.297 484 S C 0.809 175.400 174.600 -0.015 0.000 1.115 484 S CA -0.420 57.855 58.200 0.124 0.000 1.059 484 S CB 1.903 65.225 63.200 0.204 0.000 1.046 484 S HN 0.519 nan 8.310 nan 0.000 0.506 485 S N 1.901 117.569 115.700 -0.054 0.000 2.355 485 S HA -0.086 4.384 4.470 -0.000 0.000 0.222 485 S C 1.910 176.554 174.600 0.073 0.000 1.031 485 S CA 1.205 59.473 58.200 0.114 0.000 0.993 485 S CB -0.692 62.541 63.200 0.055 0.000 0.859 485 S HN 0.613 nan 8.310 nan 0.000 0.453 486 V N 1.934 121.846 119.914 -0.003 0.000 2.241 486 V HA -0.321 3.799 4.120 -0.000 0.000 0.256 486 V C 0.877 176.992 176.094 0.035 0.000 1.060 486 V CA 2.471 64.782 62.300 0.019 0.000 1.065 486 V CB -0.676 31.149 31.823 0.005 0.000 0.685 486 V HN 0.557 nan 8.190 nan 0.000 0.467 487 N N -0.602 118.117 118.700 0.032 0.000 2.401 487 N HA 0.176 4.916 4.740 -0.000 0.000 0.264 487 N C -0.690 174.841 175.510 0.035 0.000 1.238 487 N CA 0.111 53.177 53.050 0.027 0.000 0.889 487 N CB 0.248 38.750 38.487 0.024 0.000 1.196 487 N HN 0.504 nan 8.380 nan 0.000 0.511 488 D N 0.709 121.150 120.400 0.069 0.000 2.720 488 D HA -0.254 4.386 4.640 -0.000 0.000 0.229 488 D C -0.051 176.301 176.300 0.088 0.000 1.198 488 D CA 1.034 55.109 54.000 0.126 0.000 0.639 488 D CB -0.666 40.200 40.800 0.110 0.000 1.003 488 D HN 0.509 nan 8.370 nan 0.000 0.411 489 K N 0.454 120.888 120.400 0.056 0.000 2.156 489 K HA 0.479 4.799 4.320 -0.000 0.000 0.271 489 K C 0.475 177.081 176.600 0.010 0.000 0.995 489 K CA -0.485 55.821 56.287 0.032 0.000 0.890 489 K CB 1.194 33.703 32.500 0.015 0.000 1.073 489 K HN 0.088 nan 8.250 nan 0.000 0.454 490 G N 4.158 112.932 108.800 -0.044 0.000 2.355 490 G HA2 0.246 4.206 3.960 -0.000 0.000 0.276 490 G HA3 0.246 4.206 3.960 -0.000 0.000 0.276 490 G C 0.550 175.325 174.900 -0.209 0.000 1.198 490 G CA -0.583 44.366 45.100 -0.252 0.000 0.876 490 G HN 0.694 nan 8.290 nan 0.000 0.478 491 L N 1.659 122.731 121.223 -0.252 0.000 2.189 491 L HA 0.382 4.722 4.340 -0.000 0.000 0.199 491 L C 1.421 178.199 176.870 -0.154 0.000 1.074 491 L CA 0.570 55.315 54.840 -0.158 0.000 0.783 491 L CB -0.018 41.964 42.059 -0.129 0.000 0.955 491 L HN 0.368 nan 8.230 nan 0.000 0.460 492 R N -0.881 119.498 120.500 -0.202 0.000 2.707 492 R HA 0.444 4.784 4.340 -0.000 0.000 0.272 492 R C -1.400 174.775 176.300 -0.209 0.000 1.011 492 R CA -0.609 55.391 56.100 -0.167 0.000 0.893 492 R CB 2.941 33.158 30.300 -0.138 0.000 1.233 492 R HN -0.263 nan 8.270 nan 0.000 0.464 493 V N 5.086 124.901 119.914 -0.165 0.000 2.356 493 V HA 0.075 4.195 4.120 -0.000 0.000 0.258 493 V C 1.420 177.394 176.094 -0.200 0.000 1.065 493 V CA 0.112 62.316 62.300 -0.159 0.000 0.935 493 V CB 0.638 32.398 31.823 -0.105 0.000 1.061 493 V HN 0.706 nan 8.190 nan 0.000 0.484 494 L N 2.739 123.776 121.223 -0.311 0.000 2.046 494 L HA -0.003 4.337 4.340 -0.000 0.000 0.208 494 L C 1.008 177.627 176.870 -0.419 0.000 1.077 494 L CA 1.382 55.875 54.840 -0.579 0.000 0.747 494 L CB 0.039 41.420 42.059 -1.130 0.000 0.896 494 L HN 0.660 nan 8.230 nan 0.000 0.432 495 E N -0.580 119.504 120.200 -0.194 0.000 2.307 495 E HA 0.070 4.420 4.350 -0.000 0.000 0.280 495 E C -0.842 175.796 176.600 0.063 0.000 0.900 495 E CA -0.343 56.047 56.400 -0.016 0.000 0.790 495 E CB 1.072 30.796 29.700 0.040 0.000 1.261 495 E HN 0.155 nan 8.360 nan 0.000 0.405 496 D N 3.382 123.802 120.400 0.032 0.000 2.407 496 D HA 0.076 4.716 4.640 -0.000 0.000 0.208 496 D C -0.249 176.064 176.300 0.022 0.000 1.083 496 D CA -0.152 53.858 54.000 0.018 0.000 0.844 496 D CB -0.000 40.791 40.800 -0.014 0.000 0.967 496 D HN 0.466 nan 8.370 nan 0.000 0.506 497 N N 0.393 119.122 118.700 0.048 0.000 2.754 497 N HA -0.176 4.564 4.740 -0.000 0.000 0.248 497 N C 0.766 176.283 175.510 0.011 0.000 1.093 497 N CA 0.875 53.950 53.050 0.042 0.000 0.699 497 N CB -1.286 37.225 38.487 0.039 0.000 1.016 497 N HN 0.451 nan 8.380 nan 0.000 0.552 498 S N -1.008 114.699 115.700 0.011 0.000 2.377 498 S HA 0.072 4.541 4.470 -0.000 0.000 0.223 498 S C 2.082 176.690 174.600 0.014 0.000 1.030 498 S CA 0.689 58.890 58.200 0.001 0.000 0.970 498 S CB -0.197 63.002 63.200 -0.002 0.000 0.830 498 S HN 0.477 nan 8.310 nan 0.000 0.473 499 A N 1.331 124.169 122.820 0.030 0.000 2.194 499 A HA 0.084 4.404 4.320 -0.000 0.000 0.220 499 A C 2.066 179.686 177.584 0.059 0.000 1.162 499 A CA 1.124 53.188 52.037 0.044 0.000 0.674 499 A CB -0.624 18.407 19.000 0.051 0.000 0.789 499 A HN 0.555 nan 8.150 nan 0.000 0.470 500 L N -1.572 119.683 121.223 0.053 0.000 2.357 500 L HA 0.021 4.361 4.340 -0.000 0.000 0.211 500 L C 1.929 178.810 176.870 0.019 0.000 1.075 500 L CA 1.534 56.415 54.840 0.069 0.000 0.830 500 L CB -0.250 41.861 42.059 0.087 0.000 0.996 500 L HN 0.369 nan 8.230 nan 0.000 0.467 501 D N 0.682 121.075 120.400 -0.011 0.000 2.097 501 D HA -0.223 4.417 4.640 -0.000 0.000 0.195 501 D C 2.063 178.346 176.300 -0.027 0.000 0.989 501 D CA 1.508 55.482 54.000 -0.043 0.000 0.827 501 D CB 0.257 41.024 40.800 -0.055 0.000 0.966 501 D HN 0.123 nan 8.370 nan 0.000 0.456 502 K N -0.494 119.902 120.400 -0.005 0.000 2.001 502 K HA -0.167 4.153 4.320 -0.000 0.000 0.214 502 K C 2.389 178.994 176.600 0.008 0.000 1.050 502 K CA 1.446 57.736 56.287 0.005 0.000 0.934 502 K CB -0.208 32.303 32.500 0.018 0.000 0.718 502 K HN 0.194 nan 8.250 nan 0.000 0.443 503 M N 0.653 120.270 119.600 0.028 0.000 2.113 503 M HA -0.268 4.212 4.480 -0.000 0.000 0.255 503 M C 2.004 178.263 176.300 -0.068 0.000 1.073 503 M CA 1.769 57.091 55.300 0.037 0.000 1.091 503 M CB -0.506 32.169 32.600 0.125 0.000 1.309 503 M HN 0.183 nan 8.290 nan 0.000 0.407 504 L N -0.720 120.431 121.223 -0.119 0.000 2.456 504 L HA -0.189 4.151 4.340 -0.000 0.000 0.224 504 L C 2.211 179.023 176.870 -0.095 0.000 1.148 504 L CA 0.809 55.545 54.840 -0.174 0.000 0.825 504 L CB -0.732 41.253 42.059 -0.124 0.000 0.937 504 L HN 0.473 nan 8.230 nan 0.000 0.450 505 Q N 0.006 119.773 119.800 -0.055 0.000 2.230 505 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 505 Q C 1.380 177.372 176.000 -0.013 0.000 0.963 505 Q CA 0.757 56.543 55.803 -0.029 0.000 0.866 505 Q CB 0.142 28.871 28.738 -0.015 0.000 0.931 505 Q HN 0.479 nan 8.270 nan 0.000 0.452 506 N N -0.139 118.555 118.700 -0.010 0.000 2.501 506 N HA 0.001 4.741 4.740 -0.000 0.000 0.195 506 N C -0.522 174.998 175.510 0.016 0.000 1.213 506 N CA 0.247 53.308 53.050 0.018 0.000 0.864 506 N CB 0.652 39.167 38.487 0.048 0.000 0.999 506 N HN -0.009 nan 8.380 nan 0.000 0.454 507 V N 0.337 120.237 119.914 -0.024 0.000 3.001 507 V HA 0.206 4.325 4.120 -0.000 0.000 0.314 507 V C -0.397 175.698 176.094 0.002 0.000 1.099 507 V CA -0.737 61.557 62.300 -0.011 0.000 0.989 507 V CB 2.691 34.455 31.823 -0.098 0.000 1.040 507 V HN -0.049 nan 8.190 nan 0.000 0.434 508 Q N 3.820 123.642 119.800 0.038 0.000 3.027 508 Q HA 0.294 4.634 4.340 -0.000 0.000 0.260 508 Q C -0.480 175.517 176.000 -0.005 0.000 1.379 508 Q CA -0.403 55.408 55.803 0.015 0.000 1.038 508 Q CB 0.321 29.090 28.738 0.052 0.000 1.578 508 Q HN 0.522 nan 8.270 nan 0.000 0.571 509 M N 2.147 121.723 119.600 -0.041 0.000 2.243 509 M HA 0.247 4.727 4.480 -0.000 0.000 0.341 509 M C -2.075 174.178 176.300 -0.080 0.000 1.130 509 M CA -2.309 52.953 55.300 -0.062 0.000 1.162 509 M CB -0.232 32.333 32.600 -0.057 0.000 1.497 509 M HN 0.200 nan 8.290 nan 0.000 0.456 510 P HA 0.322 nan 4.420 nan 0.000 0.279 510 P C -1.045 176.196 177.300 -0.100 0.000 1.252 510 P CA -0.609 62.428 63.100 -0.106 0.000 0.811 510 P CB 0.615 32.241 31.700 -0.124 0.000 1.035 511 S N -0.206 115.426 115.700 -0.113 0.000 2.501 511 S HA 0.486 4.956 4.470 -0.000 0.000 0.301 511 S C -0.408 174.120 174.600 -0.120 0.000 1.096 511 S CA -0.936 57.206 58.200 -0.097 0.000 1.063 511 S CB 1.277 64.415 63.200 -0.103 0.000 1.042 511 S HN 0.324 nan 8.310 nan 0.000 0.494 512 K N 1.674 122.026 120.400 -0.079 0.000 2.258 512 K HA 0.262 4.582 4.320 -0.000 0.000 0.284 512 K C -0.536 176.013 176.600 -0.085 0.000 1.051 512 K CA -0.394 55.847 56.287 -0.076 0.000 0.923 512 K CB 0.603 33.083 32.500 -0.033 0.000 1.046 512 K HN 0.578 nan 8.250 nan 0.000 0.474 513 K N 4.947 125.281 120.400 -0.110 0.000 2.182 513 K HA 0.333 4.652 4.320 -0.000 0.000 0.262 513 K C -1.314 175.226 176.600 -0.100 0.000 0.957 513 K CA -0.636 55.582 56.287 -0.114 0.000 0.842 513 K CB 1.014 33.413 32.500 -0.168 0.000 1.099 513 K HN 0.553 nan 8.250 nan 0.000 0.438 514 L N 4.761 125.941 121.223 -0.072 0.000 2.442 514 L HA 0.334 4.674 4.340 -0.000 0.000 0.261 514 L C -1.120 175.775 176.870 0.041 0.000 1.000 514 L CA -0.180 54.657 54.840 -0.004 0.000 0.882 514 L CB 0.906 43.029 42.059 0.107 0.000 1.207 514 L HN 0.773 nan 8.230 nan 0.000 0.443 515 D N 2.742 122.966 120.400 -0.294 0.000 2.808 515 D HA 0.559 5.199 4.640 -0.000 0.000 0.249 515 D C -1.308 174.695 176.300 -0.495 0.000 1.151 515 D CA 0.040 53.795 54.000 -0.408 0.000 1.089 515 D CB 2.408 42.952 40.800 -0.427 0.000 1.295 515 D HN 0.218 nan 8.370 nan 0.000 0.631 516 F N -0.386 119.361 119.950 -0.339 0.000 2.662 516 F HA 0.628 5.155 4.527 -0.000 0.000 0.312 516 F C -0.882 175.041 175.800 0.205 0.000 1.113 516 F CA -1.067 56.852 58.000 -0.135 0.000 0.951 516 F CB 0.415 38.854 39.000 -0.935 0.000 1.344 516 F HN 0.252 nan 8.300 nan 0.000 0.462 517 I N -0.210 120.691 120.570 0.552 0.000 3.264 517 I HA 0.729 4.899 4.170 -0.000 0.000 0.309 517 I C -1.120 175.212 176.117 0.359 0.000 1.099 517 I CA -1.320 60.176 61.300 0.328 0.000 0.989 517 I CB 1.977 40.010 38.000 0.056 0.000 1.250 517 I HN 0.449 nan 8.210 nan 0.000 0.478 518 I N 2.178 122.882 120.570 0.224 0.000 2.648 518 I HA 0.559 4.729 4.170 -0.000 0.000 0.304 518 I C -0.876 175.357 176.117 0.195 0.000 1.009 518 I CA -0.642 60.777 61.300 0.199 0.000 1.114 518 I CB 1.734 39.813 38.000 0.132 0.000 1.293 518 I HN 0.457 nan 8.210 nan 0.000 0.449 519 L N 4.910 126.282 121.223 0.249 0.000 2.611 519 L HA 0.364 4.704 4.340 -0.000 0.000 0.263 519 L C -0.216 176.769 176.870 0.193 0.000 0.969 519 L CA -0.135 54.841 54.840 0.227 0.000 0.894 519 L CB 0.862 43.124 42.059 0.337 0.000 1.229 519 L HN 0.479 nan 8.230 nan 0.000 0.416 520 N N 3.392 122.153 118.700 0.101 0.000 2.698 520 N HA -0.278 4.462 4.740 -0.000 0.000 0.258 520 N C 0.914 176.470 175.510 0.076 0.000 0.978 520 N CA 1.568 54.663 53.050 0.074 0.000 0.777 520 N CB -0.408 38.118 38.487 0.065 0.000 0.907 520 N HN 0.916 nan 8.380 nan 0.000 0.543 521 E N -3.792 116.447 120.200 0.065 0.000 3.992 521 E HA -0.181 4.169 4.350 -0.000 0.000 0.154 521 E C -0.654 175.948 176.600 0.004 0.000 0.752 521 E CA 1.426 57.844 56.400 0.031 0.000 2.804 521 E CB -1.188 28.522 29.700 0.017 0.000 1.423 521 E HN 0.413 nan 8.360 nan 0.000 0.692 522 T N 1.269 115.829 114.554 0.010 0.000 2.943 522 T HA 0.506 4.856 4.350 -0.000 0.000 0.284 522 T C -0.497 174.063 174.700 -0.233 0.000 1.015 522 T CA -0.577 61.428 62.100 -0.157 0.000 1.042 522 T CB 1.519 70.219 68.868 -0.282 0.000 1.055 522 T HN 0.035 nan 8.240 nan 0.000 0.500 523 K N 1.436 121.584 120.400 -0.420 0.000 2.227 523 K HA 0.471 4.791 4.320 -0.000 0.000 0.280 523 K C -1.198 175.093 176.600 -0.514 0.000 1.041 523 K CA -0.208 55.803 56.287 -0.460 0.000 0.905 523 K CB 0.590 32.634 32.500 -0.760 0.000 1.068 523 K HN 0.384 nan 8.250 nan 0.000 0.470 524 F N 1.414 121.438 119.950 0.124 0.000 2.532 524 F HA 0.393 4.920 4.527 -0.000 0.000 0.321 524 F C -0.431 175.653 175.800 0.474 0.000 1.089 524 F CA -0.746 57.453 58.000 0.331 0.000 0.926 524 F CB 1.184 40.488 39.000 0.507 0.000 1.168 524 F HN 0.438 nan 8.300 nan 0.000 0.459 525 W N 2.773 124.429 121.300 0.593 0.000 2.578 525 W HA 0.602 5.262 4.660 -0.000 0.000 0.346 525 W C -0.976 175.955 176.519 0.686 0.000 1.075 525 W CA -0.514 57.170 57.345 0.566 0.000 1.233 525 W CB 1.395 31.052 29.460 0.328 0.000 1.358 525 W HN 0.427 nan 8.180 nan 0.000 0.574 526 Y N -0.525 120.211 120.300 0.726 0.000 2.638 526 Y HA 0.594 5.143 4.550 -0.000 0.000 0.335 526 Y C -1.027 175.139 175.900 0.444 0.000 1.155 526 Y CA -1.905 56.571 58.100 0.627 0.000 1.046 526 Y CB 0.854 39.790 38.460 0.792 0.000 1.303 526 Y HN 0.569 nan 8.280 nan 0.000 0.460 527 Q N 1.838 121.869 119.800 0.385 0.000 2.416 527 Q HA 0.819 5.159 4.340 -0.000 0.000 0.279 527 Q C -1.611 174.513 176.000 0.207 0.000 1.101 527 Q CA -1.254 54.642 55.803 0.154 0.000 0.830 527 Q CB 3.330 32.145 28.738 0.127 0.000 1.402 527 Q HN 0.841 nan 8.270 nan 0.000 0.445 528 M N 1.969 121.605 119.600 0.060 0.000 2.213 528 M HA 0.365 4.845 4.480 -0.000 0.000 0.286 528 M C -1.500 174.750 176.300 -0.083 0.000 1.008 528 M CA -0.712 54.585 55.300 -0.004 0.000 0.937 528 M CB 2.168 34.737 32.600 -0.052 0.000 1.600 528 M HN 0.598 nan 8.290 nan 0.000 0.450 529 I N 4.643 125.168 120.570 -0.075 0.000 2.347 529 I HA 0.192 4.362 4.170 -0.000 0.000 0.294 529 I C -0.491 175.523 176.117 -0.173 0.000 1.090 529 I CA 0.329 61.558 61.300 -0.119 0.000 1.314 529 I CB -0.067 37.873 38.000 -0.100 0.000 1.423 529 I HN 0.501 nan 8.210 nan 0.000 0.503 530 L N 8.839 129.917 121.223 -0.241 0.000 2.307 530 L HA 0.489 4.829 4.340 -0.000 0.000 0.282 530 L C -2.118 174.635 176.870 -0.194 0.000 1.051 530 L CA -1.899 52.742 54.840 -0.331 0.000 0.804 530 L CB 0.821 42.524 42.059 -0.593 0.000 1.197 530 L HN 0.308 nan 8.230 nan 0.000 0.431 531 P HA 0.044 nan 4.420 nan 0.000 0.267 531 P C -2.434 174.866 177.300 -0.001 0.000 1.200 531 P CA -0.919 62.164 63.100 -0.029 0.000 0.772 531 P CB -0.304 31.438 31.700 0.070 0.000 0.855 532 P HA -0.101 nan 4.420 nan 0.000 0.263 532 P C -0.362 176.914 177.300 -0.041 0.000 1.175 532 P CA 0.836 63.846 63.100 -0.150 0.000 0.761 532 P CB -0.260 31.322 31.700 -0.196 0.000 0.794 533 H N -1.529 117.597 119.070 0.094 0.000 2.941 533 H HA -0.179 4.377 4.556 -0.000 0.000 0.279 533 H C -0.081 175.330 175.328 0.139 0.000 1.247 533 H CA -0.299 55.807 56.048 0.096 0.000 1.129 533 H CB -2.435 27.370 29.762 0.070 0.000 1.313 533 H HN 0.326 nan 8.280 nan 0.000 0.384 534 F N 2.704 122.691 119.950 0.061 0.000 2.477 534 F HA -0.033 4.494 4.527 -0.000 0.000 0.392 534 F C 0.731 176.585 175.800 0.089 0.000 1.028 534 F CA 0.238 58.251 58.000 0.020 0.000 1.069 534 F CB 0.185 39.067 39.000 -0.198 0.000 0.970 534 F HN 0.240 nan 8.300 nan 0.000 0.540 535 D N 6.018 126.294 120.400 -0.206 0.000 2.359 535 D HA 0.089 4.729 4.640 -0.000 0.000 0.230 535 D C 0.614 176.637 176.300 -0.461 0.000 1.118 535 D CA -0.535 53.335 54.000 -0.216 0.000 0.844 535 D CB 0.948 41.678 40.800 -0.115 0.000 1.059 535 D HN 0.665 nan 8.370 nan 0.000 0.493 536 K N 0.880 121.069 120.400 -0.351 0.000 2.551 536 K HA -0.012 4.308 4.320 -0.000 0.000 0.192 536 K C 1.027 177.625 176.600 -0.003 0.000 1.027 536 K CA 0.357 56.497 56.287 -0.245 0.000 1.059 536 K CB -0.012 32.525 32.500 0.061 0.000 0.831 536 K HN 0.171 nan 8.250 nan 0.000 0.508 537 S N -0.514 115.151 115.700 -0.058 0.000 2.556 537 S HA 0.153 4.623 4.470 -0.000 0.000 0.216 537 S C 0.318 174.888 174.600 -0.051 0.000 0.970 537 S CA -0.464 57.725 58.200 -0.018 0.000 0.912 537 S CB 0.096 63.281 63.200 -0.025 0.000 0.790 537 S HN 0.182 nan 8.310 nan 0.000 0.504 538 K N 1.573 121.906 120.400 -0.112 0.000 2.118 538 K HA 0.424 4.744 4.320 -0.000 0.000 0.254 538 K C -0.824 175.697 176.600 -0.132 0.000 0.961 538 K CA -0.572 55.601 56.287 -0.191 0.000 0.876 538 K CB 0.990 33.268 32.500 -0.369 0.000 1.077 538 K HN 0.105 nan 8.250 nan 0.000 0.440 539 K N 3.077 123.387 120.400 -0.150 0.000 2.263 539 K HA 0.218 4.538 4.320 -0.000 0.000 0.272 539 K C -1.007 175.519 176.600 -0.124 0.000 1.033 539 K CA -0.586 55.685 56.287 -0.027 0.000 0.884 539 K CB 0.717 33.195 32.500 -0.036 0.000 1.107 539 K HN 0.350 nan 8.250 nan 0.000 0.460 540 Y N 2.972 123.292 120.300 0.034 0.000 2.300 540 Y HA 0.179 4.728 4.550 -0.000 0.000 0.328 540 Y C -1.681 174.173 175.900 -0.077 0.000 1.270 540 Y CA -2.373 55.733 58.100 0.010 0.000 1.352 540 Y CB -0.128 38.400 38.460 0.114 0.000 1.286 540 Y HN 0.500 nan 8.280 nan 0.000 0.536 541 P HA 0.247 nan 4.420 nan 0.000 0.274 541 P C -1.216 175.992 177.300 -0.153 0.000 1.256 541 P CA -0.289 62.572 63.100 -0.398 0.000 0.795 541 P CB 1.407 32.610 31.700 -0.828 0.000 1.038 542 L N 0.377 121.505 121.223 -0.157 0.000 2.516 542 L HA 0.423 4.763 4.340 -0.000 0.000 0.267 542 L C -1.245 175.836 176.870 0.353 0.000 0.957 542 L CA -0.709 54.213 54.840 0.136 0.000 0.860 542 L CB 1.417 43.527 42.059 0.086 0.000 1.265 542 L HN 0.197 nan 8.230 nan 0.000 0.403 543 L N 5.130 126.554 121.223 0.335 0.000 2.260 543 L HA 0.380 4.720 4.340 -0.000 0.000 0.289 543 L C -0.682 176.392 176.870 0.339 0.000 1.057 543 L CA -0.753 54.298 54.840 0.351 0.000 0.811 543 L CB 1.369 43.558 42.059 0.218 0.000 1.184 543 L HN 0.628 nan 8.230 nan 0.000 0.429 544 L N 5.366 126.828 121.223 0.399 0.000 2.295 544 L HA 0.284 4.624 4.340 -0.000 0.000 0.288 544 L C -0.350 176.722 176.870 0.335 0.000 1.079 544 L CA 0.079 55.147 54.840 0.379 0.000 0.830 544 L CB 0.660 42.976 42.059 0.428 0.000 1.200 544 L HN 0.452 nan 8.230 nan 0.000 0.438 545 D N 3.797 124.382 120.400 0.309 0.000 2.277 545 D HA 0.380 5.020 4.640 -0.000 0.000 0.249 545 D C -1.013 175.357 176.300 0.117 0.000 1.134 545 D CA 0.105 54.208 54.000 0.171 0.000 0.863 545 D CB 1.413 42.371 40.800 0.264 0.000 1.143 545 D HN 0.348 nan 8.370 nan 0.000 0.458 546 V N 5.304 125.217 119.914 -0.002 0.000 2.760 546 V HA 0.447 4.567 4.120 -0.000 0.000 0.309 546 V C -1.255 174.921 176.094 0.137 0.000 1.077 546 V CA -0.491 61.874 62.300 0.109 0.000 0.910 546 V CB 1.564 33.460 31.823 0.121 0.000 1.008 546 V HN 0.666 nan 8.190 nan 0.000 0.424 547 Y N 5.872 126.226 120.300 0.090 0.000 2.891 547 Y HA 0.623 5.173 4.550 -0.000 0.000 0.228 547 Y C 1.662 177.667 175.900 0.174 0.000 1.000 547 Y CA 1.604 59.784 58.100 0.133 0.000 1.491 547 Y CB 0.298 38.820 38.460 0.104 0.000 1.394 547 Y HN 1.511 nan 8.280 nan 0.000 0.477 548 A N 0.806 123.766 122.820 0.233 0.000 2.905 548 A HA -0.131 4.189 4.320 -0.000 0.000 0.260 548 A C 0.801 178.212 177.584 -0.288 0.000 1.398 548 A CA 0.774 52.851 52.037 0.066 0.000 0.840 548 A CB -2.416 16.660 19.000 0.127 0.000 1.059 548 A HN 0.942 nan 8.150 nan 0.000 0.647 549 G N -0.928 107.492 108.800 -0.633 0.000 2.599 549 G HA2 0.522 4.482 3.960 -0.000 0.000 0.264 549 G HA3 0.522 4.482 3.960 -0.000 0.000 0.264 549 G C -2.346 172.309 174.900 -0.408 0.000 1.200 549 G CA -1.018 43.364 45.100 -1.197 0.000 0.896 549 G HN 0.296 nan 8.290 nan 0.000 0.536 550 P HA 0.136 nan 4.420 nan 0.000 0.267 550 P C 0.429 177.683 177.300 -0.078 0.000 1.209 550 P CA 0.081 63.040 63.100 -0.236 0.000 0.763 550 P CB 0.783 32.188 31.700 -0.491 0.000 0.816 551 C N 2.710 121.993 119.300 -0.028 0.000 4.549 551 C HA -0.124 4.336 4.460 -0.000 0.000 0.290 551 C C 0.715 175.758 174.990 0.088 0.000 1.328 551 C CA 1.012 59.968 59.018 -0.103 0.000 2.002 551 C CB -2.743 24.800 27.740 -0.329 0.000 1.238 551 C HN 0.775 nan 8.230 nan 0.000 0.780 552 S N 0.054 115.853 115.700 0.165 0.000 2.687 552 S HA 0.715 5.185 4.470 -0.000 0.000 0.283 552 S C -0.776 173.979 174.600 0.259 0.000 1.170 552 S CA -0.319 58.046 58.200 0.275 0.000 1.008 552 S CB 1.867 65.294 63.200 0.378 0.000 1.026 552 S HN 0.718 nan 8.310 nan 0.000 0.541 553 Q N 0.114 120.092 119.800 0.296 0.000 2.275 553 Q HA 0.371 4.711 4.340 -0.000 0.000 0.266 553 Q C -0.453 175.668 176.000 0.202 0.000 1.002 553 Q CA -0.570 55.399 55.803 0.277 0.000 0.761 553 Q CB 1.423 30.384 28.738 0.373 0.000 1.255 553 Q HN 0.731 nan 8.270 nan 0.000 0.446 554 K N 0.804 121.323 120.400 0.197 0.000 2.367 554 K HA 0.311 4.631 4.320 -0.000 0.000 0.195 554 K C -0.330 176.378 176.600 0.179 0.000 1.060 554 K CA 0.239 56.632 56.287 0.177 0.000 1.022 554 K CB 1.193 33.816 32.500 0.205 0.000 0.894 554 K HN 0.559 nan 8.250 nan 0.000 0.540 555 A N 2.801 125.748 122.820 0.212 0.000 2.249 555 A HA 0.415 4.735 4.320 -0.000 0.000 0.314 555 A C -0.833 176.837 177.584 0.144 0.000 1.290 555 A CA -0.459 51.706 52.037 0.213 0.000 0.893 555 A CB 0.252 19.451 19.000 0.332 0.000 1.165 555 A HN 0.284 nan 8.150 nan 0.000 0.530 556 D N -0.116 120.334 120.400 0.084 0.000 2.759 556 D HA 0.360 5.000 4.640 -0.000 0.000 0.321 556 D C 0.582 176.893 176.300 0.019 0.000 1.267 556 D CA 0.280 54.310 54.000 0.050 0.000 0.933 556 D CB 0.033 40.848 40.800 0.026 0.000 1.431 556 D HN 0.204 nan 8.370 nan 0.000 0.504 557 T N -2.467 112.113 114.554 0.043 0.000 3.113 557 T HA 0.170 4.520 4.350 -0.000 0.000 0.256 557 T C 1.119 175.794 174.700 -0.041 0.000 1.131 557 T CA 0.282 62.403 62.100 0.036 0.000 1.074 557 T CB -0.495 68.433 68.868 0.101 0.000 0.944 557 T HN 0.506 nan 8.240 nan 0.000 0.516 558 V N 0.813 120.609 119.914 -0.197 0.000 3.185 558 V HA 0.556 4.675 4.120 -0.000 0.000 0.305 558 V C -0.390 175.681 176.094 -0.039 0.000 1.090 558 V CA -1.109 61.057 62.300 -0.224 0.000 1.107 558 V CB 0.852 32.375 31.823 -0.499 0.000 1.061 558 V HN 0.408 nan 8.190 nan 0.000 0.480 559 F N 5.507 125.368 119.950 -0.149 0.000 2.427 559 F HA 0.671 5.198 4.527 -0.000 0.000 0.348 559 F C 0.141 175.892 175.800 -0.082 0.000 1.125 559 F CA -0.739 57.199 58.000 -0.104 0.000 0.989 559 F CB 0.794 39.738 39.000 -0.094 0.000 1.165 559 F HN 0.550 nan 8.300 nan 0.000 0.442 560 R N 6.930 127.087 120.500 -0.572 0.000 2.589 560 R HA 0.513 4.853 4.340 -0.000 0.000 0.293 560 R C -1.282 174.655 176.300 -0.604 0.000 0.963 560 R CA -1.059 54.781 56.100 -0.434 0.000 0.905 560 R CB 2.171 32.344 30.300 -0.210 0.000 1.144 560 R HN 0.695 nan 8.270 nan 0.000 0.459 561 L N 4.275 125.311 121.223 -0.312 0.000 2.287 561 L HA 0.329 4.669 4.340 -0.000 0.000 0.280 561 L C 0.038 176.901 176.870 -0.012 0.000 1.055 561 L CA -0.254 54.471 54.840 -0.192 0.000 0.863 561 L CB -0.074 42.020 42.059 0.058 0.000 1.245 561 L HN 0.815 nan 8.230 nan 0.000 0.432 562 N N -0.342 118.270 118.700 -0.146 0.000 2.972 562 N HA 0.171 4.911 4.740 -0.000 0.000 0.262 562 N C 0.269 175.557 175.510 -0.370 0.000 1.478 562 N CA -0.926 51.936 53.050 -0.313 0.000 0.841 562 N CB 0.765 39.178 38.487 -0.123 0.000 1.512 562 N HN 0.200 nan 8.380 nan 0.000 0.548 563 W N 1.078 121.888 121.300 -0.817 0.000 2.302 563 W HA -0.150 4.510 4.660 -0.000 0.000 0.320 563 W C 2.395 178.892 176.519 -0.036 0.000 1.241 563 W CA 2.911 59.996 57.345 -0.433 0.000 1.264 563 W CB -1.095 28.165 29.460 -0.333 0.000 1.154 563 W HN 0.770 nan 8.180 nan 0.000 0.483 564 A N -0.074 122.738 122.820 -0.013 0.000 1.896 564 A HA -0.372 3.948 4.320 -0.000 0.000 0.220 564 A C 2.011 179.522 177.584 -0.122 0.000 1.206 564 A CA 3.552 55.515 52.037 -0.123 0.000 0.647 564 A CB -1.596 17.398 19.000 -0.010 0.000 0.828 564 A HN 0.371 nan 8.150 nan 0.000 0.455 565 T N -1.345 113.151 114.554 -0.097 0.000 2.594 565 T HA -0.324 4.026 4.350 -0.000 0.000 0.266 565 T C 1.750 176.521 174.700 0.118 0.000 1.070 565 T CA 2.358 64.381 62.100 -0.127 0.000 1.166 565 T CB -0.644 68.019 68.868 -0.342 0.000 0.862 565 T HN 0.767 nan 8.240 nan 0.000 0.436 566 Y N 1.224 121.685 120.300 0.267 0.000 2.352 566 Y HA 0.120 4.670 4.550 -0.000 0.000 0.292 566 Y C 1.840 177.797 175.900 0.095 0.000 1.136 566 Y CA 0.808 59.101 58.100 0.323 0.000 1.227 566 Y CB -0.498 38.126 38.460 0.272 0.000 0.991 566 Y HN 0.185 nan 8.280 nan 0.000 0.545 567 L N -0.016 120.866 121.223 -0.569 0.000 2.610 567 L HA 0.063 4.403 4.340 -0.000 0.000 0.232 567 L C 2.055 178.711 176.870 -0.357 0.000 1.149 567 L CA 0.787 55.196 54.840 -0.719 0.000 0.872 567 L CB -0.336 41.338 42.059 -0.641 0.000 0.992 567 L HN 0.493 nan 8.230 nan 0.000 0.447 568 A N -2.200 120.488 122.820 -0.220 0.000 2.009 568 A HA 0.043 4.363 4.320 -0.000 0.000 0.197 568 A C 2.171 179.730 177.584 -0.042 0.000 1.471 568 A CA 0.503 52.480 52.037 -0.100 0.000 0.973 568 A CB 0.072 19.012 19.000 -0.100 0.000 1.020 568 A HN 0.127 nan 8.150 nan 0.000 0.476 569 S N 0.131 115.818 115.700 -0.020 0.000 2.404 569 S HA -0.142 4.328 4.470 -0.000 0.000 0.216 569 S C 2.110 176.742 174.600 0.053 0.000 1.039 569 S CA 2.455 60.689 58.200 0.056 0.000 1.062 569 S CB -0.555 62.754 63.200 0.182 0.000 1.046 569 S HN 0.602 nan 8.310 nan 0.000 0.415 570 T N 2.299 116.879 114.554 0.043 0.000 2.595 570 T HA -0.080 4.270 4.350 -0.000 0.000 0.264 570 T C 1.688 176.373 174.700 -0.026 0.000 1.058 570 T CA 1.476 63.594 62.100 0.030 0.000 1.166 570 T CB -0.567 68.346 68.868 0.075 0.000 0.863 570 T HN 0.328 nan 8.240 nan 0.000 0.415 571 E N 1.184 121.291 120.200 -0.156 0.000 2.427 571 E HA 0.047 4.397 4.350 -0.000 0.000 0.196 571 E C 0.340 176.955 176.600 0.026 0.000 1.028 571 E CA -0.024 56.329 56.400 -0.080 0.000 0.864 571 E CB -0.476 29.124 29.700 -0.166 0.000 0.813 571 E HN 0.413 nan 8.360 nan 0.000 0.514 572 N N 0.520 119.248 118.700 0.046 0.000 2.696 572 N HA -0.220 4.520 4.740 -0.000 0.000 0.256 572 N C -0.740 174.902 175.510 0.219 0.000 1.031 572 N CA 0.694 53.846 53.050 0.169 0.000 0.730 572 N CB -1.326 37.288 38.487 0.210 0.000 0.894 572 N HN 0.260 nan 8.380 nan 0.000 0.544 573 I N 1.290 121.921 120.570 0.102 0.000 2.418 573 I HA 0.331 4.501 4.170 -0.000 0.000 0.287 573 I C 0.762 176.908 176.117 0.048 0.000 1.008 573 I CA -0.786 60.584 61.300 0.117 0.000 1.104 573 I CB 1.508 39.566 38.000 0.097 0.000 1.264 573 I HN -0.001 nan 8.210 nan 0.000 0.438 574 I N 6.946 127.558 120.570 0.071 0.000 2.505 574 I HA 0.040 4.210 4.170 -0.000 0.000 0.287 574 I C -0.110 176.027 176.117 0.033 0.000 1.104 574 I CA -0.085 61.216 61.300 0.002 0.000 1.387 574 I CB 0.549 38.565 38.000 0.026 0.000 1.404 574 I HN 0.214 nan 8.210 nan 0.000 0.528 575 V N 7.589 127.505 119.914 0.002 0.000 2.259 575 V HA 0.427 4.546 4.120 -0.000 0.000 0.267 575 V C 0.749 176.890 176.094 0.079 0.000 1.051 575 V CA -0.555 61.782 62.300 0.062 0.000 0.830 575 V CB 0.514 32.364 31.823 0.044 0.000 1.080 575 V HN 0.842 nan 8.190 nan 0.000 0.467 576 A N 3.717 126.586 122.820 0.082 0.000 2.272 576 A HA 0.838 5.158 4.320 -0.000 0.000 0.275 576 A C 0.319 178.062 177.584 0.265 0.000 1.096 576 A CA -0.219 51.870 52.037 0.086 0.000 0.822 576 A CB 0.940 19.799 19.000 -0.235 0.000 1.088 576 A HN 0.665 nan 8.150 nan 0.000 0.495 577 S N -1.193 114.742 115.700 0.392 0.000 2.535 577 S HA 0.610 5.080 4.470 -0.000 0.000 0.272 577 S C -1.796 173.193 174.600 0.648 0.000 1.149 577 S CA -0.323 58.144 58.200 0.444 0.000 0.888 577 S CB 1.116 64.505 63.200 0.316 0.000 1.110 577 S HN 0.935 nan 8.310 nan 0.000 0.463 578 F N 2.548 122.740 119.950 0.403 0.000 2.573 578 F HA 0.476 5.002 4.527 -0.000 0.000 0.316 578 F C -1.570 174.425 175.800 0.325 0.000 1.148 578 F CA -0.834 57.415 58.000 0.415 0.000 0.940 578 F CB 1.401 40.596 39.000 0.325 0.000 1.214 578 F HN 0.407 nan 8.300 nan 0.000 0.448 579 D N 4.736 124.898 120.400 -0.396 0.000 2.359 579 D HA 0.417 5.057 4.640 -0.000 0.000 0.230 579 D C 0.287 176.161 176.300 -0.710 0.000 1.118 579 D CA 0.115 53.925 54.000 -0.316 0.000 0.844 579 D CB 1.762 42.592 40.800 0.050 0.000 1.059 579 D HN 0.782 nan 8.370 nan 0.000 0.493 580 G N 1.426 109.901 108.800 -0.540 0.000 2.702 580 G HA2 0.311 4.271 3.960 -0.000 0.000 0.254 580 G HA3 0.311 4.271 3.960 -0.000 0.000 0.254 580 G C 0.098 174.938 174.900 -0.101 0.000 1.380 580 G CA -0.772 44.037 45.100 -0.485 0.000 1.042 580 G HN 0.312 nan 8.290 nan 0.000 0.557 581 R N -0.639 119.789 120.500 -0.120 0.000 2.566 581 R HA 0.300 4.640 4.340 -0.000 0.000 0.273 581 R C 1.354 177.712 176.300 0.097 0.000 0.981 581 R CA 1.773 57.911 56.100 0.065 0.000 1.091 581 R CB 0.242 30.548 30.300 0.010 0.000 0.924 581 R HN 1.088 nan 8.270 nan 0.000 0.411 582 G N 1.299 110.168 108.800 0.114 0.000 2.490 582 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.214 582 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.214 582 G C 0.057 174.998 174.900 0.069 0.000 1.151 582 G CA 0.005 45.173 45.100 0.113 0.000 0.684 582 G HN 0.797 nan 8.290 nan 0.000 0.518 583 S N 1.232 116.967 115.700 0.058 0.000 2.550 583 S HA 0.459 4.929 4.470 -0.000 0.000 0.285 583 S C 0.977 175.574 174.600 -0.005 0.000 1.326 583 S CA 0.819 59.049 58.200 0.049 0.000 1.037 583 S CB 1.131 64.381 63.200 0.083 0.000 0.838 583 S HN 1.892 nan 8.310 nan 0.000 0.519 584 G N 0.076 108.813 108.800 -0.105 0.000 2.535 584 G HA2 0.485 4.445 3.960 -0.000 0.000 0.303 584 G HA3 0.485 4.445 3.960 -0.000 0.000 0.303 584 G C -0.729 174.010 174.900 -0.270 0.000 1.237 584 G CA -0.875 44.005 45.100 -0.367 0.000 0.986 584 G HN 1.058 nan 8.290 nan 0.000 0.494 585 Y N -2.607 117.726 120.300 0.056 0.000 4.841 585 Y HA -0.211 4.339 4.550 -0.000 0.000 0.242 585 Y C 1.297 177.240 175.900 0.072 0.000 1.002 585 Y CA 0.973 59.114 58.100 0.068 0.000 2.011 585 Y CB -2.280 36.235 38.460 0.092 0.000 1.554 585 Y HN 0.554 nan 8.280 nan 0.000 0.618 586 Q N 0.285 120.146 119.800 0.102 0.000 2.129 586 Q HA 0.515 4.854 4.340 -0.000 0.000 0.274 586 Q C 0.958 176.869 176.000 -0.149 0.000 0.854 586 Q CA 0.131 55.993 55.803 0.099 0.000 1.123 586 Q CB 1.342 30.134 28.738 0.090 0.000 1.226 586 Q HN 0.571 nan 8.270 nan 0.000 0.454 587 G N 0.989 109.594 108.800 -0.325 0.000 2.755 587 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.686 587 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.686 587 G C -0.239 174.303 174.900 -0.597 0.000 1.427 587 G CA -0.462 44.164 45.100 -0.790 0.000 0.873 587 G HN 0.252 nan 8.290 nan 0.000 0.580 588 D N 0.107 120.113 120.400 -0.657 0.000 2.221 588 D HA -0.080 4.560 4.640 -0.000 0.000 0.204 588 D C 2.189 178.195 176.300 -0.490 0.000 0.982 588 D CA 1.332 54.887 54.000 -0.741 0.000 0.857 588 D CB 0.052 40.336 40.800 -0.861 0.000 0.934 588 D HN 0.546 nan 8.370 nan 0.000 0.475 589 K N 0.268 120.441 120.400 -0.379 0.000 2.097 589 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 589 K C 2.062 178.574 176.600 -0.147 0.000 1.049 589 K CA 0.655 56.810 56.287 -0.221 0.000 0.933 589 K CB -0.056 32.333 32.500 -0.185 0.000 0.717 589 K HN 0.154 nan 8.250 nan 0.000 0.442 590 I N 0.513 120.992 120.570 -0.151 0.000 2.339 590 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 590 I C 2.623 178.726 176.117 -0.024 0.000 1.096 590 I CA 0.712 61.995 61.300 -0.028 0.000 1.408 590 I CB -0.072 37.941 38.000 0.021 0.000 1.092 590 I HN 0.206 nan 8.210 nan 0.000 0.423 591 M N 0.069 119.596 119.600 -0.121 0.000 2.117 591 M HA -0.249 4.231 4.480 -0.000 0.000 0.262 591 M C 1.839 178.186 176.300 0.079 0.000 1.065 591 M CA 2.016 57.277 55.300 -0.065 0.000 1.114 591 M CB -0.401 32.088 32.600 -0.185 0.000 1.361 591 M HN 0.257 nan 8.290 nan 0.000 0.408 592 H N -0.297 118.692 119.070 -0.135 0.000 2.553 592 H HA 0.160 4.716 4.556 -0.000 0.000 0.269 592 H C 1.491 176.838 175.328 0.032 0.000 1.011 592 H CA 0.044 56.025 56.048 -0.113 0.000 1.150 592 H CB 0.051 29.648 29.762 -0.273 0.000 1.339 592 H HN 0.557 nan 8.280 nan 0.000 0.604 593 A N 0.460 123.371 122.820 0.152 0.000 2.248 593 A HA -0.036 4.284 4.320 -0.000 0.000 0.210 593 A C 1.536 179.299 177.584 0.298 0.000 1.174 593 A CA 0.964 53.059 52.037 0.097 0.000 0.750 593 A CB -0.135 18.825 19.000 -0.066 0.000 0.780 593 A HN 0.339 nan 8.150 nan 0.000 0.478 594 I N -1.713 119.049 120.570 0.320 0.000 4.541 594 I HA 0.110 4.280 4.170 -0.000 0.000 0.337 594 I C 0.332 176.591 176.117 0.236 0.000 1.338 594 I CA -0.423 61.070 61.300 0.322 0.000 1.244 594 I CB 0.095 38.257 38.000 0.271 0.000 1.417 594 I HN 0.318 nan 8.210 nan 0.000 0.501 595 N N 2.867 121.747 118.700 0.300 0.000 2.036 595 N HA -0.193 4.547 4.740 -0.000 0.000 0.288 595 N C 0.334 175.905 175.510 0.102 0.000 1.293 595 N CA 0.694 53.898 53.050 0.257 0.000 0.808 595 N CB 0.131 38.714 38.487 0.160 0.000 1.040 595 N HN 0.237 nan 8.380 nan 0.000 0.489 596 R N 1.137 121.659 120.500 0.036 0.000 3.387 596 R HA -0.254 4.086 4.340 -0.000 0.000 0.254 596 R C -0.573 175.676 176.300 -0.084 0.000 1.006 596 R CA 1.082 57.163 56.100 -0.031 0.000 0.677 596 R CB -2.177 28.119 30.300 -0.005 0.000 1.063 596 R HN 0.729 nan 8.270 nan 0.000 0.453 597 R N -0.107 120.344 120.500 -0.082 0.000 2.430 597 R HA 0.238 4.578 4.340 -0.000 0.000 0.325 597 R C -0.270 176.062 176.300 0.052 0.000 1.048 597 R CA -0.444 55.529 56.100 -0.211 0.000 1.183 597 R CB 0.502 30.580 30.300 -0.371 0.000 1.406 597 R HN 0.067 nan 8.270 nan 0.000 0.694 598 L N 0.669 121.934 121.223 0.071 0.000 2.554 598 L HA 0.070 4.410 4.340 -0.000 0.000 0.293 598 L C 1.275 178.411 176.870 0.444 0.000 1.252 598 L CA 1.471 56.409 54.840 0.163 0.000 0.862 598 L CB 0.254 42.180 42.059 -0.220 0.000 1.113 598 L HN 0.727 nan 8.230 nan 0.000 0.510 599 G N 1.264 110.373 108.800 0.515 0.000 2.248 599 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.263 599 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.263 599 G C 0.078 175.106 174.900 0.214 0.000 1.082 599 G CA 0.338 45.710 45.100 0.453 0.000 0.863 599 G HN 0.860 nan 8.290 nan 0.000 0.495 600 T N -2.235 112.406 114.554 0.146 0.000 3.250 600 T HA 0.384 4.734 4.350 -0.000 0.000 0.110 600 T C 1.478 176.188 174.700 0.017 0.000 0.774 600 T CA 0.970 63.058 62.100 -0.021 0.000 0.677 600 T CB -0.417 68.301 68.868 -0.250 0.000 1.457 600 T HN 0.175 nan 8.240 nan 0.000 0.267 601 F N 3.334 123.329 119.950 0.076 0.000 2.236 601 F HA 0.016 4.543 4.527 -0.000 0.000 0.302 601 F C 2.527 178.358 175.800 0.052 0.000 1.073 601 F CA 1.684 59.714 58.000 0.050 0.000 1.336 601 F CB -0.226 38.801 39.000 0.044 0.000 1.040 601 F HN 0.499 nan 8.300 nan 0.000 0.507 602 E N 0.012 120.367 120.200 0.259 0.000 2.318 602 E HA -0.049 4.301 4.350 -0.000 0.000 0.193 602 E C 1.996 178.698 176.600 0.170 0.000 0.998 602 E CA 0.975 57.493 56.400 0.195 0.000 0.859 602 E CB -0.798 29.024 29.700 0.202 0.000 0.812 602 E HN 0.281 nan 8.360 nan 0.000 0.492 603 V N 1.859 121.859 119.914 0.143 0.000 2.273 603 V HA -0.196 3.924 4.120 -0.000 0.000 0.242 603 V C 2.252 178.404 176.094 0.097 0.000 1.035 603 V CA 2.017 64.369 62.300 0.086 0.000 1.013 603 V CB -0.752 31.081 31.823 0.017 0.000 0.652 603 V HN 0.167 nan 8.190 nan 0.000 0.452 604 E N 0.445 120.702 120.200 0.096 0.000 2.187 604 E HA -0.281 4.068 4.350 -0.000 0.000 0.199 604 E C 1.838 178.488 176.600 0.082 0.000 1.004 604 E CA 1.729 58.181 56.400 0.088 0.000 0.813 604 E CB -0.214 29.554 29.700 0.113 0.000 0.736 604 E HN 0.591 nan 8.360 nan 0.000 0.468 605 D N -0.091 120.375 120.400 0.110 0.000 2.162 605 D HA -0.092 4.548 4.640 -0.000 0.000 0.203 605 D C 2.003 178.401 176.300 0.163 0.000 0.967 605 D CA 0.628 54.693 54.000 0.108 0.000 0.840 605 D CB -0.072 40.788 40.800 0.100 0.000 0.972 605 D HN 0.100 nan 8.370 nan 0.000 0.482 606 Q N 0.375 120.304 119.800 0.215 0.000 2.084 606 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 606 Q C 2.534 178.645 176.000 0.184 0.000 0.978 606 Q CA 0.591 56.540 55.803 0.243 0.000 0.844 606 Q CB -0.177 28.696 28.738 0.225 0.000 0.898 606 Q HN 0.424 nan 8.270 nan 0.000 0.426 607 I N 0.841 121.513 120.570 0.170 0.000 2.163 607 I HA -0.283 3.887 4.170 -0.000 0.000 0.243 607 I C 2.380 178.478 176.117 -0.033 0.000 1.085 607 I CA 1.712 63.106 61.300 0.156 0.000 1.347 607 I CB -0.377 37.683 38.000 0.100 0.000 1.044 607 I HN 0.224 nan 8.210 nan 0.000 0.408 608 E N 1.510 121.653 120.200 -0.095 0.000 2.230 608 E HA -0.065 4.285 4.350 -0.000 0.000 0.192 608 E C 1.969 178.340 176.600 -0.381 0.000 0.987 608 E CA 1.229 57.516 56.400 -0.189 0.000 0.841 608 E CB -0.026 29.593 29.700 -0.135 0.000 0.783 608 E HN 0.369 nan 8.360 nan 0.000 0.481 609 A N 1.413 123.885 122.820 -0.581 0.000 1.841 609 A HA 0.036 4.356 4.320 -0.000 0.000 0.214 609 A C 2.553 179.511 177.584 -1.044 0.000 1.195 609 A CA 2.093 53.450 52.037 -1.133 0.000 0.611 609 A CB -1.378 16.561 19.000 -1.768 0.000 0.835 609 A HN 0.415 nan 8.150 nan 0.000 0.443 610 A N -0.414 122.124 122.820 -0.471 0.000 1.915 610 A HA -0.298 4.022 4.320 -0.000 0.000 0.220 610 A C 2.280 179.749 177.584 -0.192 0.000 1.198 610 A CA 2.179 54.169 52.037 -0.079 0.000 0.647 610 A CB -0.648 18.369 19.000 0.029 0.000 0.825 610 A HN 0.555 nan 8.150 nan 0.000 0.456 611 R N -1.028 119.308 120.500 -0.275 0.000 2.082 611 R HA -0.208 4.132 4.340 -0.000 0.000 0.234 611 R C 2.516 178.692 176.300 -0.207 0.000 1.136 611 R CA 2.083 58.047 56.100 -0.227 0.000 0.935 611 R CB -0.406 29.773 30.300 -0.202 0.000 0.842 611 R HN 0.732 nan 8.270 nan 0.000 0.430 612 Q N -0.939 118.688 119.800 -0.289 0.000 2.234 612 Q HA -0.179 4.161 4.340 -0.000 0.000 0.206 612 Q C 1.819 177.733 176.000 -0.144 0.000 0.980 612 Q CA 1.375 57.028 55.803 -0.251 0.000 0.869 612 Q CB -0.006 28.521 28.738 -0.352 0.000 0.912 612 Q HN 0.253 nan 8.270 nan 0.000 0.436 613 F N -0.295 119.503 119.950 -0.253 0.000 2.163 613 F HA -0.152 4.375 4.527 -0.000 0.000 0.297 613 F C 2.701 178.352 175.800 -0.249 0.000 1.094 613 F CA 1.259 59.106 58.000 -0.254 0.000 1.290 613 F CB -1.093 37.787 39.000 -0.200 0.000 1.017 613 F HN 0.106 nan 8.300 nan 0.000 0.483 614 S N -0.034 115.659 115.700 -0.012 0.000 2.343 614 S HA -0.188 4.282 4.470 -0.000 0.000 0.219 614 S C 2.045 176.568 174.600 -0.128 0.000 1.033 614 S CA 0.804 58.948 58.200 -0.093 0.000 1.014 614 S CB -0.580 62.554 63.200 -0.109 0.000 0.915 614 S HN 0.078 nan 8.310 nan 0.000 0.435 615 K N 1.411 121.742 120.400 -0.115 0.000 2.207 615 K HA -0.046 4.273 4.320 -0.000 0.000 0.208 615 K C 1.062 177.585 176.600 -0.128 0.000 1.046 615 K CA 1.072 57.294 56.287 -0.107 0.000 0.929 615 K CB -1.016 31.428 32.500 -0.094 0.000 0.720 615 K HN 0.598 nan 8.250 nan 0.000 0.463 616 M N -1.038 118.446 119.600 -0.193 0.000 2.207 616 M HA 0.028 4.507 4.480 -0.000 0.000 0.311 616 M C 1.532 177.650 176.300 -0.303 0.000 1.127 616 M CA 0.702 55.826 55.300 -0.293 0.000 1.181 616 M CB 0.411 32.668 32.600 -0.571 0.000 1.409 616 M HN 0.068 nan 8.290 nan 0.000 0.461 617 G N 0.412 109.091 108.800 -0.202 0.000 3.233 617 G HA2 0.229 4.189 3.960 -0.000 0.000 0.227 617 G HA3 0.229 4.189 3.960 -0.000 0.000 0.227 617 G C 0.379 175.323 174.900 0.073 0.000 1.175 617 G CA -0.179 44.900 45.100 -0.035 0.000 0.781 617 G HN 0.767 nan 8.290 nan 0.000 0.542 618 F N -0.530 119.483 119.950 0.106 0.000 2.798 618 F HA 0.449 4.976 4.527 -0.000 0.000 0.328 618 F C 0.017 175.933 175.800 0.192 0.000 1.098 618 F CA -1.284 56.810 58.000 0.158 0.000 1.172 618 F CB -0.033 39.137 39.000 0.283 0.000 1.072 618 F HN -0.019 nan 8.300 nan 0.000 0.555 619 V N 0.003 119.833 119.914 -0.140 0.000 2.370 619 V HA 0.460 4.580 4.120 -0.000 0.000 0.283 619 V C -0.556 175.498 176.094 -0.065 0.000 1.023 619 V CA -0.617 61.647 62.300 -0.061 0.000 0.857 619 V CB 1.357 33.087 31.823 -0.156 0.000 0.985 619 V HN 0.174 nan 8.190 nan 0.000 0.443 620 D N 4.981 125.352 120.400 -0.049 0.000 2.398 620 D HA 0.056 4.696 4.640 -0.000 0.000 0.250 620 D C 1.558 177.800 176.300 -0.097 0.000 1.287 620 D CA 0.449 54.399 54.000 -0.084 0.000 0.992 620 D CB 0.192 40.923 40.800 -0.114 0.000 1.071 620 D HN 0.824 nan 8.370 nan 0.000 0.514 621 N N 2.966 121.614 118.700 -0.087 0.000 2.586 621 N HA -0.226 4.514 4.740 -0.000 0.000 0.191 621 N C 0.989 176.452 175.510 -0.079 0.000 1.085 621 N CA 0.485 53.482 53.050 -0.088 0.000 0.921 621 N CB 0.109 38.544 38.487 -0.087 0.000 0.954 621 N HN 0.359 nan 8.380 nan 0.000 0.448 622 K N 0.198 120.553 120.400 -0.075 0.000 2.361 622 K HA 0.164 4.484 4.320 -0.000 0.000 0.194 622 K C 0.098 176.672 176.600 -0.043 0.000 1.032 622 K CA 0.055 56.311 56.287 -0.052 0.000 1.048 622 K CB 0.457 32.929 32.500 -0.047 0.000 0.842 622 K HN 0.148 nan 8.250 nan 0.000 0.526 623 R N 0.893 121.327 120.500 -0.109 0.000 2.607 623 R HA 0.321 4.661 4.340 -0.000 0.000 0.278 623 R C -1.285 174.882 176.300 -0.222 0.000 1.637 623 R CA -0.259 55.722 56.100 -0.197 0.000 1.325 623 R CB 0.850 30.845 30.300 -0.509 0.000 1.211 623 R HN -0.051 nan 8.270 nan 0.000 0.565 624 I N 1.940 122.596 120.570 0.144 0.000 2.521 624 I HA 0.340 4.510 4.170 -0.000 0.000 0.277 624 I C 0.134 176.611 176.117 0.599 0.000 1.054 624 I CA -0.295 61.187 61.300 0.303 0.000 1.117 624 I CB 1.783 39.866 38.000 0.139 0.000 1.217 624 I HN 0.462 nan 8.210 nan 0.000 0.469 625 A N 6.627 129.882 122.820 0.724 0.000 2.239 625 A HA 0.907 5.227 4.320 -0.000 0.000 0.303 625 A C -0.495 177.355 177.584 0.445 0.000 1.114 625 A CA -0.472 51.885 52.037 0.533 0.000 0.871 625 A CB 1.141 20.318 19.000 0.295 0.000 1.201 625 A HN 0.703 nan 8.150 nan 0.000 0.506 626 I N -0.787 119.960 120.570 0.294 0.000 2.842 626 I HA 0.606 4.776 4.170 -0.000 0.000 0.297 626 I C -2.286 174.058 176.117 0.377 0.000 1.380 626 I CA -0.683 60.735 61.300 0.197 0.000 1.018 626 I CB 1.815 39.610 38.000 -0.341 0.000 1.311 626 I HN 0.990 nan 8.210 nan 0.000 0.439 627 W N 6.688 128.072 121.300 0.140 0.000 3.479 627 W HA 0.802 5.462 4.660 -0.000 0.000 0.304 627 W C -1.513 175.146 176.519 0.233 0.000 1.243 627 W CA -1.027 56.434 57.345 0.194 0.000 1.202 627 W CB 0.786 30.419 29.460 0.288 0.000 1.346 627 W HN 0.837 nan 8.180 nan 0.000 0.539 628 G N 1.476 110.227 108.800 -0.082 0.000 2.692 628 G HA2 0.551 4.511 3.960 -0.000 0.000 0.291 628 G HA3 0.551 4.511 3.960 -0.000 0.000 0.291 628 G C -2.092 172.817 174.900 0.015 0.000 1.423 628 G CA -0.666 44.290 45.100 -0.241 0.000 0.843 628 G HN 0.622 nan 8.290 nan 0.000 0.486 629 W N 0.147 121.392 121.300 -0.091 0.000 2.639 629 W HA 0.543 5.203 4.660 -0.000 0.000 0.465 629 W C 1.463 178.046 176.519 0.107 0.000 1.742 629 W CA 0.343 57.704 57.345 0.028 0.000 1.798 629 W CB 1.311 30.778 29.460 0.011 0.000 1.950 629 W HN 0.703 nan 8.180 nan 0.000 0.713 630 S N 0.220 116.304 115.700 0.640 0.000 3.827 630 S HA -0.422 4.048 4.470 -0.000 0.000 0.538 630 S C 1.216 175.944 174.600 0.214 0.000 0.916 630 S CA 2.328 60.826 58.200 0.497 0.000 3.392 630 S CB -1.708 61.861 63.200 0.616 0.000 2.356 630 S HN 0.604 nan 8.310 nan 0.000 0.507 631 Y N 2.496 122.759 120.300 -0.062 0.000 2.193 631 Y HA -0.156 4.394 4.550 -0.000 0.000 0.285 631 Y C 2.410 178.206 175.900 -0.174 0.000 1.166 631 Y CA 1.933 59.875 58.100 -0.264 0.000 1.181 631 Y CB -1.103 36.979 38.460 -0.631 0.000 0.976 631 Y HN 0.475 nan 8.280 nan 0.000 0.520 632 G N -0.689 108.121 108.800 0.017 0.000 2.513 632 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.219 632 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.219 632 G C 1.962 176.901 174.900 0.066 0.000 1.160 632 G CA 1.046 46.198 45.100 0.087 0.000 0.767 632 G HN 0.618 nan 8.290 nan 0.000 0.571 633 G N 0.065 108.912 108.800 0.078 0.000 2.480 633 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.216 633 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.216 633 G C 1.654 176.571 174.900 0.029 0.000 1.200 633 G CA 1.336 46.468 45.100 0.052 0.000 0.782 633 G HN 0.511 nan 8.290 nan 0.000 0.554 634 Y N 1.260 121.451 120.300 -0.182 0.000 2.128 634 Y HA -0.147 4.403 4.550 -0.000 0.000 0.284 634 Y C 2.808 178.585 175.900 -0.205 0.000 1.154 634 Y CA 1.970 59.901 58.100 -0.281 0.000 1.149 634 Y CB -0.486 37.638 38.460 -0.559 0.000 0.976 634 Y HN 0.036 nan 8.280 nan 0.000 0.505 635 V N -0.103 119.702 119.914 -0.181 0.000 2.295 635 V HA -0.337 3.783 4.120 -0.000 0.000 0.246 635 V C 2.373 178.369 176.094 -0.163 0.000 1.049 635 V CA 2.417 64.606 62.300 -0.185 0.000 1.024 635 V CB -1.283 30.601 31.823 0.102 0.000 0.648 635 V HN 0.508 nan 8.190 nan 0.000 0.447 636 T N 0.364 114.872 114.554 -0.077 0.000 2.607 636 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 636 T C 2.118 176.751 174.700 -0.112 0.000 1.049 636 T CA 2.222 64.279 62.100 -0.071 0.000 1.162 636 T CB -0.329 68.563 68.868 0.040 0.000 0.863 636 T HN 0.622 nan 8.240 nan 0.000 0.424 637 S N 1.686 117.338 115.700 -0.080 0.000 2.354 637 S HA -0.144 4.326 4.470 -0.000 0.000 0.219 637 S C 2.118 176.584 174.600 -0.223 0.000 1.035 637 S CA 1.279 59.426 58.200 -0.089 0.000 1.037 637 S CB -0.547 62.643 63.200 -0.018 0.000 0.956 637 S HN 0.250 nan 8.310 nan 0.000 0.428 638 M N 0.955 120.345 119.600 -0.350 0.000 2.146 638 M HA -0.142 4.338 4.480 -0.000 0.000 0.251 638 M C 2.177 178.319 176.300 -0.264 0.000 1.083 638 M CA 1.277 56.356 55.300 -0.368 0.000 1.076 638 M CB -1.676 30.595 32.600 -0.550 0.000 1.332 638 M HN 0.227 nan 8.290 nan 0.000 0.400 639 V N -0.348 119.424 119.914 -0.237 0.000 2.346 639 V HA -0.180 3.940 4.120 -0.000 0.000 0.244 639 V C 2.403 178.374 176.094 -0.206 0.000 1.037 639 V CA 0.994 63.193 62.300 -0.168 0.000 1.029 639 V CB -0.278 31.441 31.823 -0.173 0.000 0.663 639 V HN 0.389 nan 8.190 nan 0.000 0.454 640 L N 0.501 121.533 121.223 -0.319 0.000 2.127 640 L HA -0.102 4.238 4.340 -0.000 0.000 0.211 640 L C 2.144 178.580 176.870 -0.723 0.000 1.089 640 L CA 1.694 56.272 54.840 -0.437 0.000 0.757 640 L CB -0.765 41.006 42.059 -0.481 0.000 0.899 640 L HN 0.464 nan 8.230 nan 0.000 0.434 641 G N -1.600 106.729 108.800 -0.785 0.000 3.383 641 G HA2 0.010 3.969 3.960 -0.000 0.000 0.251 641 G HA3 0.010 3.969 3.960 -0.000 0.000 0.251 641 G C 1.350 176.065 174.900 -0.309 0.000 1.203 641 G CA 0.595 45.267 45.100 -0.713 0.000 0.852 641 G HN 0.413 nan 8.290 nan 0.000 0.531 642 S N -1.175 114.389 115.700 -0.225 0.000 2.502 642 S HA 0.356 4.826 4.470 -0.000 0.000 0.215 642 S C 1.861 176.415 174.600 -0.078 0.000 1.009 642 S CA 1.115 59.246 58.200 -0.115 0.000 0.908 642 S CB 0.116 63.274 63.200 -0.071 0.000 0.801 642 S HN 1.331 nan 8.310 nan 0.000 0.505 643 G N 1.610 110.357 108.800 -0.088 0.000 2.143 643 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.249 643 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.249 643 G C 0.994 175.875 174.900 -0.033 0.000 0.981 643 G CA 0.905 45.971 45.100 -0.057 0.000 0.665 643 G HN 1.420 nan 8.290 nan 0.000 0.528 644 S N 0.063 115.751 115.700 -0.020 0.000 2.469 644 S HA 0.256 4.726 4.470 -0.000 0.000 0.238 644 S C 2.275 176.853 174.600 -0.037 0.000 0.998 644 S CA 1.300 59.486 58.200 -0.023 0.000 0.957 644 S CB -0.548 62.648 63.200 -0.007 0.000 0.764 644 S HN 2.330 nan 8.310 nan 0.000 0.514 645 G N 0.261 109.049 108.800 -0.019 0.000 2.421 645 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.300 645 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.300 645 G C 0.365 175.236 174.900 -0.049 0.000 0.974 645 G CA 0.470 45.561 45.100 -0.015 0.000 1.062 645 G HN 0.733 nan 8.290 nan 0.000 0.514 646 V N -1.150 118.707 119.914 -0.096 0.000 3.612 646 V HA 0.410 4.530 4.120 -0.000 0.000 0.268 646 V C 0.489 176.341 176.094 -0.403 0.000 1.365 646 V CA 0.375 62.508 62.300 -0.280 0.000 1.044 646 V CB 0.100 31.662 31.823 -0.436 0.000 0.820 646 V HN 0.334 nan 8.190 nan 0.000 0.444 647 F N 0.306 120.280 119.950 0.040 0.000 2.458 647 F HA 0.379 4.906 4.527 -0.000 0.000 0.336 647 F C 1.001 176.860 175.800 0.097 0.000 1.114 647 F CA -0.607 57.447 58.000 0.089 0.000 0.987 647 F CB 1.806 40.866 39.000 0.099 0.000 1.130 647 F HN -0.166 nan 8.300 nan 0.000 0.458 648 K N 1.706 122.292 120.400 0.309 0.000 2.365 648 K HA 0.165 4.485 4.320 -0.000 0.000 0.197 648 K C -0.225 176.527 176.600 0.253 0.000 1.042 648 K CA 0.681 57.106 56.287 0.230 0.000 0.987 648 K CB 0.094 32.717 32.500 0.205 0.000 0.779 648 K HN 0.719 nan 8.250 nan 0.000 0.484 649 c N -3.345 115.448 118.600 0.323 0.000 3.259 649 c HA 0.897 5.467 4.570 -0.000 0.000 0.344 649 c C -0.311 174.010 174.090 0.384 0.000 1.401 649 c CA -0.564 55.975 56.329 0.351 0.000 1.219 649 c CB 1.074 43.757 42.510 0.287 0.000 1.521 649 c HN 0.337 nan 8.230 nan 0.000 0.455 650 G N -0.160 108.927 108.800 0.479 0.000 2.646 650 G HA2 0.709 4.668 3.960 -0.000 0.000 0.291 650 G HA3 0.709 4.668 3.960 -0.000 0.000 0.291 650 G C -1.913 173.212 174.900 0.375 0.000 1.445 650 G CA -0.729 44.624 45.100 0.421 0.000 0.814 650 G HN 0.996 nan 8.290 nan 0.000 0.495 651 I N 0.335 121.082 120.570 0.294 0.000 2.603 651 I HA 0.690 4.860 4.170 -0.000 0.000 0.300 651 I C 0.168 176.417 176.117 0.219 0.000 1.017 651 I CA -1.049 60.305 61.300 0.089 0.000 1.098 651 I CB 2.358 40.407 38.000 0.082 0.000 1.279 651 I HN 0.660 nan 8.210 nan 0.000 0.437 652 A N 5.538 128.407 122.820 0.083 0.000 2.457 652 A HA 0.648 4.968 4.320 -0.000 0.000 0.283 652 A C -1.027 176.515 177.584 -0.070 0.000 1.166 652 A CA -0.431 51.665 52.037 0.098 0.000 0.740 652 A CB 1.026 20.161 19.000 0.226 0.000 1.181 652 A HN 0.396 nan 8.150 nan 0.000 0.446 653 V N 2.179 121.980 119.914 -0.189 0.000 2.348 653 V HA 0.546 4.666 4.120 -0.000 0.000 0.270 653 V C 1.016 176.770 176.094 -0.566 0.000 1.037 653 V CA 0.635 62.613 62.300 -0.537 0.000 0.872 653 V CB 0.358 31.541 31.823 -1.067 0.000 1.002 653 V HN 2.215 nan 8.190 nan 0.000 0.464 654 A N 5.618 128.214 122.820 -0.373 0.000 2.800 654 A HA -0.082 4.238 4.320 -0.000 0.000 0.292 654 A C -1.840 175.725 177.584 -0.032 0.000 1.474 654 A CA 0.272 52.084 52.037 -0.374 0.000 0.744 654 A CB -1.721 17.119 19.000 -0.266 0.000 1.044 654 A HN 0.617 nan 8.150 nan 0.000 0.489 655 P HA 0.459 nan 4.420 nan 0.000 0.282 655 P C 0.332 177.624 177.300 -0.013 0.000 1.249 655 P CA -0.188 62.927 63.100 0.025 0.000 0.806 655 P CB 1.299 33.019 31.700 0.033 0.000 0.984 656 V N 2.458 122.262 119.914 -0.183 0.000 2.673 656 V HA -0.015 4.105 4.120 -0.000 0.000 0.303 656 V C 1.846 177.750 176.094 -0.317 0.000 1.046 656 V CA 1.334 63.389 62.300 -0.408 0.000 1.126 656 V CB 0.257 31.445 31.823 -1.058 0.000 0.934 656 V HN 0.847 nan 8.190 nan 0.000 0.487 657 S N 3.792 119.341 115.700 -0.251 0.000 2.549 657 S HA 0.265 4.734 4.470 -0.000 0.000 0.225 657 S C 0.553 174.954 174.600 -0.332 0.000 1.039 657 S CA -0.298 57.800 58.200 -0.170 0.000 0.942 657 S CB 0.320 63.481 63.200 -0.064 0.000 0.881 657 S HN 0.770 nan 8.310 nan 0.000 0.503 658 R N -0.847 119.330 120.500 -0.538 0.000 2.572 658 R HA 0.273 4.613 4.340 -0.000 0.000 0.273 658 R C -1.103 174.922 176.300 -0.459 0.000 1.168 658 R CA -0.631 55.114 56.100 -0.592 0.000 1.021 658 R CB 0.202 29.971 30.300 -0.885 0.000 1.249 658 R HN 0.268 nan 8.270 nan 0.000 0.423 659 W N 2.263 123.478 121.300 -0.142 0.000 2.392 659 W HA -0.049 4.611 4.660 -0.000 0.000 0.279 659 W C 1.440 178.096 176.519 0.228 0.000 1.225 659 W CA 0.581 57.938 57.345 0.020 0.000 1.233 659 W CB 0.339 29.756 29.460 -0.071 0.000 1.122 659 W HN 0.686 nan 8.180 nan 0.000 0.561 660 E N -0.373 120.042 120.200 0.358 0.000 2.160 660 E HA -0.245 4.105 4.350 -0.000 0.000 0.195 660 E C 1.646 178.451 176.600 0.340 0.000 0.991 660 E CA 1.179 57.728 56.400 0.248 0.000 0.810 660 E CB -0.428 29.314 29.700 0.070 0.000 0.742 660 E HN 0.376 nan 8.360 nan 0.000 0.466 661 Y N -1.044 119.359 120.300 0.171 0.000 2.497 661 Y HA -0.089 4.461 4.550 -0.000 0.000 0.292 661 Y C 1.164 177.186 175.900 0.203 0.000 1.137 661 Y CA 0.163 58.338 58.100 0.126 0.000 1.285 661 Y CB -0.818 37.663 38.460 0.035 0.000 0.991 661 Y HN 0.055 nan 8.280 nan 0.000 0.556 662 Y N 1.208 121.699 120.300 0.318 0.000 2.436 662 Y HA 0.287 4.837 4.550 -0.000 0.000 0.336 662 Y C 0.098 176.226 175.900 0.381 0.000 1.318 662 Y CA -1.752 56.537 58.100 0.316 0.000 1.493 662 Y CB 0.392 39.088 38.460 0.393 0.000 1.547 662 Y HN 0.095 nan 8.280 nan 0.000 0.549 663 D N -0.822 119.505 120.400 -0.120 0.000 2.210 663 D HA 0.205 4.845 4.640 -0.000 0.000 0.249 663 D C 0.712 177.093 176.300 0.135 0.000 1.078 663 D CA 0.039 53.965 54.000 -0.123 0.000 0.875 663 D CB 1.471 41.950 40.800 -0.535 0.000 1.175 663 D HN 0.513 nan 8.370 nan 0.000 0.440 664 S N 2.179 117.932 115.700 0.089 0.000 2.404 664 S HA -0.310 4.160 4.470 -0.000 0.000 0.230 664 S C 1.995 176.677 174.600 0.136 0.000 1.046 664 S CA 1.490 59.774 58.200 0.140 0.000 1.135 664 S CB -1.255 62.013 63.200 0.113 0.000 1.056 664 S HN 0.429 nan 8.310 nan 0.000 0.426 665 V N 1.143 121.085 119.914 0.046 0.000 2.277 665 V HA -0.255 3.864 4.120 -0.000 0.000 0.253 665 V C 2.309 178.410 176.094 0.010 0.000 1.067 665 V CA 2.606 64.858 62.300 -0.080 0.000 1.047 665 V CB -1.108 30.502 31.823 -0.355 0.000 0.649 665 V HN 0.649 nan 8.190 nan 0.000 0.447 666 Y N 1.003 121.350 120.300 0.077 0.000 2.176 666 Y HA -0.177 4.373 4.550 -0.000 0.000 0.291 666 Y C 2.680 178.732 175.900 0.253 0.000 1.122 666 Y CA 2.224 60.457 58.100 0.222 0.000 1.128 666 Y CB -0.521 38.204 38.460 0.442 0.000 1.005 666 Y HN 0.271 nan 8.280 nan 0.000 0.509 667 T N -0.056 114.770 114.554 0.453 0.000 2.732 667 T HA -0.148 4.202 4.350 -0.000 0.000 0.261 667 T C 1.608 176.324 174.700 0.027 0.000 1.040 667 T CA 1.565 63.800 62.100 0.225 0.000 1.145 667 T CB -0.370 68.751 68.868 0.422 0.000 0.866 667 T HN 0.334 nan 8.240 nan 0.000 0.427 668 E N 0.885 121.146 120.200 0.101 0.000 2.114 668 E HA -0.236 4.113 4.350 -0.000 0.000 0.199 668 E C 2.272 178.810 176.600 -0.104 0.000 1.008 668 E CA 1.159 57.597 56.400 0.063 0.000 0.810 668 E CB -0.189 29.574 29.700 0.105 0.000 0.739 668 E HN 0.368 nan 8.360 nan 0.000 0.456 669 R N -0.459 119.879 120.500 -0.270 0.000 2.211 669 R HA -0.205 4.135 4.340 -0.000 0.000 0.240 669 R C 1.074 176.805 176.300 -0.948 0.000 1.144 669 R CA 1.596 57.328 56.100 -0.614 0.000 0.992 669 R CB -0.013 29.744 30.300 -0.905 0.000 0.869 669 R HN 0.292 nan 8.270 nan 0.000 0.462 670 Y N -2.660 117.307 120.300 -0.556 0.000 2.589 670 Y HA 0.242 4.791 4.550 -0.000 0.000 0.271 670 Y C 1.755 177.420 175.900 -0.392 0.000 1.107 670 Y CA -0.266 57.462 58.100 -0.619 0.000 1.273 670 Y CB 0.333 38.319 38.460 -0.789 0.000 1.266 670 Y HN -0.047 nan 8.280 nan 0.000 0.504 671 M N -0.236 119.219 119.600 -0.242 0.000 2.414 671 M HA 0.359 4.839 4.480 -0.000 0.000 0.251 671 M C 1.026 177.265 176.300 -0.102 0.000 1.116 671 M CA 0.936 56.037 55.300 -0.331 0.000 1.056 671 M CB -0.494 31.627 32.600 -0.797 0.000 1.388 671 M HN 0.428 nan 8.290 nan 0.000 0.487 672 G N 1.089 109.903 108.800 0.023 0.000 2.466 672 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.218 672 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.218 672 G C -0.846 174.195 174.900 0.236 0.000 1.237 672 G CA -0.709 44.468 45.100 0.127 0.000 0.954 672 G HN 0.312 nan 8.290 nan 0.000 0.580 673 L N 1.022 122.384 121.223 0.232 0.000 2.341 673 L HA 0.591 4.931 4.340 -0.000 0.000 0.267 673 L C -2.182 174.708 176.870 0.034 0.000 1.009 673 L CA -2.131 52.798 54.840 0.148 0.000 0.819 673 L CB 2.645 44.739 42.059 0.057 0.000 1.323 673 L HN 0.445 nan 8.230 nan 0.000 0.425 674 P HA 0.137 nan 4.420 nan 0.000 0.247 674 P C -0.879 176.298 177.300 -0.205 0.000 1.756 674 P CA -0.000 62.751 63.100 -0.581 0.000 1.117 674 P CB -0.014 31.129 31.700 -0.929 0.000 1.869 675 T N -0.190 114.318 114.554 -0.078 0.000 2.894 675 T HA 0.402 4.752 4.350 -0.000 0.000 0.309 675 T C -2.552 172.150 174.700 0.005 0.000 1.208 675 T CA -2.200 59.881 62.100 -0.032 0.000 1.016 675 T CB 1.496 70.353 68.868 -0.018 0.000 1.192 675 T HN -0.249 nan 8.240 nan 0.000 0.491 676 P HA -0.164 nan 4.420 nan 0.000 0.216 676 P C 0.966 178.282 177.300 0.027 0.000 1.157 676 P CA 1.438 64.550 63.100 0.020 0.000 0.880 676 P CB -0.049 31.660 31.700 0.014 0.000 0.791 677 E N -1.293 118.919 120.200 0.021 0.000 2.463 677 E HA -0.072 4.278 4.350 -0.000 0.000 0.201 677 E C 0.982 177.601 176.600 0.032 0.000 1.045 677 E CA 0.908 57.321 56.400 0.022 0.000 0.872 677 E CB -0.516 29.192 29.700 0.015 0.000 0.797 677 E HN 0.368 nan 8.360 nan 0.000 0.538 678 D N -0.976 119.451 120.400 0.045 0.000 3.577 678 D HA 0.175 4.815 4.640 -0.000 0.000 0.195 678 D C -0.219 176.142 176.300 0.102 0.000 1.366 678 D CA -0.525 53.515 54.000 0.067 0.000 1.184 678 D CB -0.088 40.754 40.800 0.069 0.000 1.206 678 D HN -0.066 nan 8.370 nan 0.000 0.525 679 N N 0.686 119.485 118.700 0.165 0.000 2.273 679 N HA 0.147 4.887 4.740 -0.000 0.000 0.231 679 N C 1.531 177.270 175.510 0.382 0.000 1.134 679 N CA -0.132 53.063 53.050 0.243 0.000 0.856 679 N CB 0.546 39.173 38.487 0.234 0.000 1.068 679 N HN 0.172 nan 8.380 nan 0.000 0.510 680 L N 0.546 121.901 121.223 0.220 0.000 2.051 680 L HA -0.259 4.081 4.340 -0.000 0.000 0.214 680 L C 1.044 178.028 176.870 0.190 0.000 1.076 680 L CA 1.868 56.795 54.840 0.145 0.000 0.758 680 L CB -0.218 41.858 42.059 0.029 0.000 0.890 680 L HN 0.243 nan 8.230 nan 0.000 0.433 681 D N -1.518 118.977 120.400 0.158 0.000 2.133 681 D HA -0.296 4.344 4.640 -0.000 0.000 0.192 681 D C 2.042 178.449 176.300 0.179 0.000 1.001 681 D CA 1.756 55.839 54.000 0.138 0.000 0.844 681 D CB -0.302 40.566 40.800 0.114 0.000 0.944 681 D HN 0.479 nan 8.370 nan 0.000 0.447 682 H N -1.448 117.691 119.070 0.114 0.000 2.562 682 H HA 0.024 4.580 4.556 -0.000 0.000 0.267 682 H C 1.357 176.750 175.328 0.108 0.000 0.959 682 H CA 0.221 56.313 56.048 0.074 0.000 1.204 682 H CB 0.230 29.997 29.762 0.009 0.000 1.430 682 H HN 0.202 nan 8.280 nan 0.000 0.545 683 Y N 1.286 121.582 120.300 -0.008 0.000 2.070 683 Y HA -0.206 4.344 4.550 -0.000 0.000 0.279 683 Y C 2.924 178.784 175.900 -0.066 0.000 1.134 683 Y CA 1.707 59.804 58.100 -0.004 0.000 1.113 683 Y CB -0.231 38.257 38.460 0.046 0.000 0.981 683 Y HN 0.055 nan 8.280 nan 0.000 0.487 684 R N 0.209 120.806 120.500 0.163 0.000 2.226 684 R HA -0.224 4.116 4.340 -0.000 0.000 0.246 684 R C 1.308 177.601 176.300 -0.012 0.000 1.161 684 R CA 1.799 57.929 56.100 0.051 0.000 0.997 684 R CB -0.338 29.994 30.300 0.052 0.000 0.870 684 R HN 0.312 nan 8.270 nan 0.000 0.465 685 N N -1.645 117.016 118.700 -0.065 0.000 2.184 685 N HA 0.014 4.754 4.740 -0.000 0.000 0.206 685 N C -0.004 175.390 175.510 -0.193 0.000 1.151 685 N CA 0.301 53.300 53.050 -0.085 0.000 0.878 685 N CB 0.776 39.270 38.487 0.011 0.000 1.014 685 N HN 0.128 nan 8.380 nan 0.000 0.512 686 S N -1.574 113.953 115.700 -0.289 0.000 2.650 686 S HA 0.087 4.557 4.470 -0.000 0.000 0.240 686 S C 0.530 175.128 174.600 -0.004 0.000 1.007 686 S CA -0.517 57.572 58.200 -0.185 0.000 0.984 686 S CB -0.592 62.423 63.200 -0.308 0.000 0.910 686 S HN 0.200 nan 8.310 nan 0.000 0.509 687 T N -0.123 114.396 114.554 -0.058 0.000 2.926 687 T HA 0.371 4.721 4.350 -0.000 0.000 0.307 687 T C 1.488 176.144 174.700 -0.074 0.000 1.059 687 T CA -0.344 61.706 62.100 -0.082 0.000 1.122 687 T CB 0.962 69.756 68.868 -0.123 0.000 0.972 687 T HN -0.011 nan 8.240 nan 0.000 0.545 688 V N 3.066 122.930 119.914 -0.083 0.000 2.255 688 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 688 V C 2.729 178.786 176.094 -0.061 0.000 1.051 688 V CA 2.259 64.508 62.300 -0.086 0.000 1.018 688 V CB -1.024 30.746 31.823 -0.088 0.000 0.641 688 V HN 0.862 nan 8.190 nan 0.000 0.445 689 M N 0.881 120.431 119.600 -0.083 0.000 2.116 689 M HA -0.245 4.235 4.480 -0.000 0.000 0.255 689 M C 2.408 178.683 176.300 -0.042 0.000 1.075 689 M CA 2.310 57.566 55.300 -0.074 0.000 1.087 689 M CB -1.419 31.140 32.600 -0.067 0.000 1.340 689 M HN 0.495 nan 8.290 nan 0.000 0.402 690 S N 0.250 115.925 115.700 -0.040 0.000 2.400 690 S HA -0.219 4.251 4.470 -0.000 0.000 0.234 690 S C 1.746 176.342 174.600 -0.006 0.000 1.049 690 S CA 1.505 59.690 58.200 -0.025 0.000 1.039 690 S CB -0.271 62.909 63.200 -0.033 0.000 0.856 690 S HN 0.612 nan 8.310 nan 0.000 0.465 691 R N 0.511 121.016 120.500 0.008 0.000 2.721 691 R HA 0.457 4.797 4.340 -0.000 0.000 0.296 691 R C 1.890 178.277 176.300 0.145 0.000 1.174 691 R CA 0.365 56.486 56.100 0.034 0.000 1.129 691 R CB -0.164 30.125 30.300 -0.018 0.000 1.316 691 R HN 0.480 nan 8.270 nan 0.000 0.571 692 A N 1.473 124.362 122.820 0.116 0.000 1.877 692 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 692 A C 1.808 179.510 177.584 0.196 0.000 1.186 692 A CA 1.113 53.235 52.037 0.142 0.000 0.620 692 A CB -0.054 18.939 19.000 -0.012 0.000 0.822 692 A HN 0.233 nan 8.150 nan 0.000 0.443 693 E N 0.653 120.915 120.200 0.103 0.000 2.065 693 E HA -0.222 4.128 4.350 -0.000 0.000 0.201 693 E C 1.456 178.113 176.600 0.096 0.000 1.016 693 E CA 1.436 57.887 56.400 0.084 0.000 0.818 693 E CB -0.599 29.128 29.700 0.045 0.000 0.749 693 E HN 0.596 nan 8.360 nan 0.000 0.453 694 N N 0.203 118.934 118.700 0.052 0.000 2.588 694 N HA -0.119 4.621 4.740 -0.000 0.000 0.190 694 N C 1.444 176.913 175.510 -0.068 0.000 1.094 694 N CA 0.456 53.489 53.050 -0.028 0.000 0.921 694 N CB -0.312 38.119 38.487 -0.094 0.000 0.959 694 N HN 0.149 nan 8.380 nan 0.000 0.448 695 F N 1.731 121.656 119.950 -0.042 0.000 2.502 695 F HA 0.017 4.543 4.527 -0.000 0.000 0.298 695 F C 2.023 177.844 175.800 0.036 0.000 1.111 695 F CA 0.620 58.598 58.000 -0.037 0.000 1.445 695 F CB 0.188 39.136 39.000 -0.086 0.000 1.081 695 F HN -0.049 nan 8.300 nan 0.000 0.558 696 K N -0.021 120.489 120.400 0.184 0.000 2.152 696 K HA -0.229 4.091 4.320 -0.000 0.000 0.206 696 K C 1.685 178.358 176.600 0.121 0.000 1.048 696 K CA 1.310 57.685 56.287 0.148 0.000 0.933 696 K CB -0.441 32.120 32.500 0.102 0.000 0.721 696 K HN 0.428 nan 8.250 nan 0.000 0.447 697 Q N 0.792 120.640 119.800 0.079 0.000 2.435 697 Q HA -0.021 4.319 4.340 -0.000 0.000 0.207 697 Q C 0.726 176.776 176.000 0.084 0.000 0.956 697 Q CA 0.355 56.194 55.803 0.059 0.000 0.917 697 Q CB 0.299 29.049 28.738 0.020 0.000 0.997 697 Q HN 0.198 nan 8.270 nan 0.000 0.497 698 V N -2.765 117.218 119.914 0.115 0.000 3.046 698 V HA 0.467 4.587 4.120 -0.000 0.000 0.316 698 V C -0.793 175.461 176.094 0.267 0.000 1.104 698 V CA -1.214 61.185 62.300 0.166 0.000 1.006 698 V CB 2.113 33.999 31.823 0.105 0.000 1.058 698 V HN -0.041 nan 8.190 nan 0.000 0.440 699 E N 1.418 121.800 120.200 0.304 0.000 2.231 699 E HA 0.576 4.926 4.350 -0.000 0.000 0.277 699 E C -1.778 175.186 176.600 0.607 0.000 0.999 699 E CA -0.434 56.206 56.400 0.400 0.000 0.827 699 E CB 1.998 31.866 29.700 0.280 0.000 1.101 699 E HN 0.758 nan 8.360 nan 0.000 0.393 700 Y N 2.676 123.256 120.300 0.466 0.000 2.401 700 Y HA 0.417 4.967 4.550 -0.000 0.000 0.330 700 Y C -2.234 173.791 175.900 0.208 0.000 1.071 700 Y CA -1.253 57.067 58.100 0.367 0.000 1.049 700 Y CB 1.015 39.744 38.460 0.448 0.000 1.239 700 Y HN 0.486 nan 8.280 nan 0.000 0.437 701 L N 7.690 128.583 121.223 -0.549 0.000 2.333 701 L HA 0.739 5.079 4.340 -0.000 0.000 0.280 701 L C -2.158 174.272 176.870 -0.734 0.000 1.004 701 L CA -0.759 53.655 54.840 -0.710 0.000 0.820 701 L CB 1.494 42.875 42.059 -1.130 0.000 1.247 701 L HN 0.704 nan 8.230 nan 0.000 0.416 702 L N 6.655 127.555 121.223 -0.538 0.000 2.325 702 L HA 0.704 5.044 4.340 -0.000 0.000 0.281 702 L C -1.343 175.423 176.870 -0.174 0.000 1.004 702 L CA -0.025 54.579 54.840 -0.394 0.000 0.823 702 L CB 1.210 43.065 42.059 -0.341 0.000 1.236 702 L HN 0.598 nan 8.230 nan 0.000 0.415 703 I N 4.614 125.097 120.570 -0.146 0.000 2.533 703 I HA 0.435 4.605 4.170 -0.000 0.000 0.290 703 I C -1.263 174.858 176.117 0.007 0.000 1.056 703 I CA -0.667 60.585 61.300 -0.080 0.000 1.057 703 I CB 1.965 39.875 38.000 -0.151 0.000 1.240 703 I HN 0.693 nan 8.210 nan 0.000 0.423 704 H N 3.193 122.307 119.070 0.073 0.000 3.042 704 H HA 0.482 5.038 4.556 -0.000 0.000 0.345 704 H C -0.263 175.323 175.328 0.430 0.000 1.052 704 H CA -0.526 55.630 56.048 0.180 0.000 1.311 704 H CB 1.767 31.553 29.762 0.041 0.000 1.810 704 H HN 0.756 nan 8.280 nan 0.000 0.505 705 G N 1.421 110.554 108.800 0.555 0.000 2.467 705 G HA2 0.184 4.144 3.960 -0.000 0.000 0.257 705 G HA3 0.184 4.144 3.960 -0.000 0.000 0.257 705 G C 1.076 176.303 174.900 0.545 0.000 1.227 705 G CA 0.109 45.528 45.100 0.532 0.000 0.835 705 G HN 0.748 nan 8.290 nan 0.000 0.556 706 T N -1.271 113.454 114.554 0.285 0.000 3.023 706 T HA 0.176 4.526 4.350 -0.000 0.000 0.266 706 T C 1.607 176.324 174.700 0.029 0.000 1.093 706 T CA 1.011 63.095 62.100 -0.027 0.000 1.129 706 T CB 0.269 69.049 68.868 -0.146 0.000 0.899 706 T HN 0.691 nan 8.240 nan 0.000 0.491 707 A N 1.364 124.281 122.820 0.162 0.000 2.833 707 A HA 0.327 4.647 4.320 -0.000 0.000 0.293 707 A C 0.246 177.873 177.584 0.070 0.000 1.338 707 A CA -0.540 51.592 52.037 0.159 0.000 0.959 707 A CB -0.332 18.962 19.000 0.489 0.000 1.094 707 A HN 0.316 nan 8.150 nan 0.000 0.569 708 D N 1.360 121.792 120.400 0.053 0.000 2.336 708 D HA 0.029 4.669 4.640 -0.000 0.000 0.249 708 D C 0.356 176.648 176.300 -0.014 0.000 1.213 708 D CA -0.028 54.067 54.000 0.160 0.000 0.870 708 D CB 0.775 41.785 40.800 0.351 0.000 1.076 708 D HN 0.546 nan 8.370 nan 0.000 0.483 709 D N 2.309 122.769 120.400 0.099 0.000 2.323 709 D HA -0.118 4.522 4.640 -0.000 0.000 0.209 709 D C 1.040 177.289 176.300 -0.086 0.000 0.973 709 D CA 0.218 54.230 54.000 0.021 0.000 0.874 709 D CB 0.324 41.180 40.800 0.093 0.000 0.930 709 D HN 0.500 nan 8.370 nan 0.000 0.521 710 N N 0.331 119.043 118.700 0.021 0.000 2.418 710 N HA -0.043 4.697 4.740 -0.000 0.000 0.199 710 N C -0.199 175.106 175.510 -0.341 0.000 1.044 710 N CA 0.095 53.165 53.050 0.034 0.000 0.943 710 N CB 0.807 39.496 38.487 0.338 0.000 1.154 710 N HN -0.177 nan 8.380 nan 0.000 0.467 711 V N 2.576 122.295 119.914 -0.326 0.000 2.353 711 V HA 0.203 4.323 4.120 -0.000 0.000 0.264 711 V C -0.819 175.273 176.094 -0.004 0.000 1.049 711 V CA -0.296 61.892 62.300 -0.186 0.000 0.896 711 V CB 0.058 31.762 31.823 -0.197 0.000 1.025 711 V HN 0.308 nan 8.190 nan 0.000 0.475 712 H N 3.568 122.613 119.070 -0.041 0.000 2.764 712 H HA 0.090 4.646 4.556 -0.000 0.000 0.341 712 H C 0.702 175.912 175.328 -0.196 0.000 1.072 712 H CA -0.364 55.597 56.048 -0.145 0.000 1.444 712 H CB 0.856 30.426 29.762 -0.321 0.000 1.458 712 H HN 0.624 nan 8.280 nan 0.000 0.572 713 F N 2.182 121.933 119.950 -0.332 0.000 2.214 713 F HA -0.341 4.185 4.527 -0.000 0.000 0.302 713 F C 2.589 178.125 175.800 -0.440 0.000 1.063 713 F CA 1.840 59.426 58.000 -0.688 0.000 1.319 713 F CB -0.142 38.652 39.000 -0.345 0.000 1.046 713 F HN 0.681 nan 8.300 nan 0.000 0.505 714 Q N 0.173 119.862 119.800 -0.185 0.000 2.082 714 Q HA -0.326 4.014 4.340 -0.000 0.000 0.211 714 Q C 2.115 177.909 176.000 -0.343 0.000 1.002 714 Q CA 2.410 58.043 55.803 -0.284 0.000 0.868 714 Q CB -0.374 28.142 28.738 -0.370 0.000 0.931 714 Q HN 0.566 nan 8.270 nan 0.000 0.414 715 Q N 0.010 119.660 119.800 -0.249 0.000 1.998 715 Q HA -0.188 4.152 4.340 -0.000 0.000 0.209 715 Q C 2.373 178.304 176.000 -0.115 0.000 1.002 715 Q CA 1.955 57.751 55.803 -0.013 0.000 0.858 715 Q CB -0.531 28.252 28.738 0.075 0.000 0.932 715 Q HN 0.340 nan 8.270 nan 0.000 0.416 716 S N 0.825 116.337 115.700 -0.313 0.000 2.353 716 S HA -0.159 4.311 4.470 -0.000 0.000 0.222 716 S C 2.130 176.502 174.600 -0.380 0.000 1.035 716 S CA 1.114 59.106 58.200 -0.346 0.000 1.025 716 S CB -0.479 62.444 63.200 -0.462 0.000 0.902 716 S HN 0.544 nan 8.310 nan 0.000 0.440 717 A N 1.644 124.134 122.820 -0.550 0.000 1.915 717 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 717 A C 2.109 179.593 177.584 -0.166 0.000 1.198 717 A CA 1.788 53.631 52.037 -0.324 0.000 0.647 717 A CB -0.812 18.052 19.000 -0.227 0.000 0.825 717 A HN 0.452 nan 8.150 nan 0.000 0.456 718 Q N -0.591 119.134 119.800 -0.125 0.000 2.170 718 Q HA -0.113 4.227 4.340 -0.000 0.000 0.203 718 Q C 2.161 178.119 176.000 -0.069 0.000 0.976 718 Q CA 1.343 57.127 55.803 -0.033 0.000 0.858 718 Q CB -0.428 28.387 28.738 0.128 0.000 0.907 718 Q HN 0.821 nan 8.270 nan 0.000 0.433 719 I N 0.874 121.374 120.570 -0.117 0.000 2.226 719 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 719 I C 2.256 178.208 176.117 -0.275 0.000 1.100 719 I CA 1.424 62.610 61.300 -0.191 0.000 1.374 719 I CB -0.312 37.573 38.000 -0.193 0.000 1.057 719 I HN 0.155 nan 8.210 nan 0.000 0.413 720 S N 0.320 115.878 115.700 -0.236 0.000 2.428 720 S HA -0.166 4.304 4.470 -0.000 0.000 0.230 720 S C 1.928 176.470 174.600 -0.097 0.000 1.014 720 S CA 0.654 58.715 58.200 -0.231 0.000 0.957 720 S CB -0.285 62.943 63.200 0.047 0.000 0.784 720 S HN 0.396 nan 8.310 nan 0.000 0.499 721 K N 1.543 121.900 120.400 -0.071 0.000 2.296 721 K HA 0.170 4.490 4.320 -0.000 0.000 0.200 721 K C 2.126 178.699 176.600 -0.046 0.000 1.048 721 K CA 0.769 57.038 56.287 -0.030 0.000 0.966 721 K CB -0.345 32.142 32.500 -0.020 0.000 0.754 721 K HN 0.405 nan 8.250 nan 0.000 0.466 722 A N 1.113 123.879 122.820 -0.090 0.000 1.897 722 A HA -0.050 4.270 4.320 -0.000 0.000 0.215 722 A C 1.990 179.507 177.584 -0.113 0.000 1.181 722 A CA 0.888 52.869 52.037 -0.094 0.000 0.620 722 A CB -0.416 18.514 19.000 -0.116 0.000 0.821 722 A HN 0.260 nan 8.150 nan 0.000 0.443 723 L N -0.754 120.347 121.223 -0.202 0.000 2.093 723 L HA -0.117 4.222 4.340 -0.000 0.000 0.208 723 L C 2.420 179.274 176.870 -0.026 0.000 1.085 723 L CA 0.806 55.525 54.840 -0.203 0.000 0.755 723 L CB -0.711 41.073 42.059 -0.458 0.000 0.904 723 L HN 0.191 nan 8.230 nan 0.000 0.435 724 V N -0.071 119.855 119.914 0.019 0.000 2.307 724 V HA -0.282 3.838 4.120 -0.000 0.000 0.245 724 V C 2.170 178.289 176.094 0.042 0.000 1.045 724 V CA 1.951 64.297 62.300 0.077 0.000 1.024 724 V CB -0.439 31.432 31.823 0.081 0.000 0.651 724 V HN 0.416 nan 8.190 nan 0.000 0.449 725 D N -0.507 119.902 120.400 0.015 0.000 2.158 725 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 725 D C 1.353 177.663 176.300 0.017 0.000 0.995 725 D CA 1.443 55.449 54.000 0.011 0.000 0.846 725 D CB -0.070 40.729 40.800 -0.001 0.000 0.941 725 D HN 0.376 nan 8.370 nan 0.000 0.456 726 V N -0.191 119.733 119.914 0.018 0.000 2.894 726 V HA 0.416 4.536 4.120 -0.000 0.000 0.373 726 V C 0.643 176.764 176.094 0.045 0.000 1.286 726 V CA 0.414 62.731 62.300 0.029 0.000 1.331 726 V CB -0.163 31.677 31.823 0.027 0.000 1.415 726 V HN 0.321 nan 8.190 nan 0.000 0.585 727 G N 2.137 110.969 108.800 0.053 0.000 2.395 727 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.300 727 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.300 727 G C 0.086 175.041 174.900 0.092 0.000 0.998 727 G CA 0.669 45.810 45.100 0.069 0.000 1.046 727 G HN 0.840 nan 8.290 nan 0.000 0.513 728 V N 0.936 120.916 119.914 0.109 0.000 2.368 728 V HA 0.307 4.427 4.120 -0.000 0.000 0.266 728 V C 0.548 176.789 176.094 0.245 0.000 1.045 728 V CA -0.290 62.102 62.300 0.154 0.000 0.899 728 V CB 1.419 33.316 31.823 0.124 0.000 1.006 728 V HN 0.573 nan 8.190 nan 0.000 0.470 729 D N 5.038 125.572 120.400 0.222 0.000 2.345 729 D HA 0.507 5.147 4.640 -0.000 0.000 0.247 729 D C -0.535 175.969 176.300 0.339 0.000 1.108 729 D CA 0.060 54.191 54.000 0.218 0.000 0.894 729 D CB 0.735 41.607 40.800 0.120 0.000 1.203 729 D HN 0.368 nan 8.370 nan 0.000 0.430 730 F N -0.073 119.929 119.950 0.087 0.000 2.773 730 F HA 0.415 4.942 4.527 -0.000 0.000 0.314 730 F C -1.677 174.149 175.800 0.043 0.000 1.160 730 F CA -1.072 56.992 58.000 0.107 0.000 0.920 730 F CB 0.808 39.885 39.000 0.129 0.000 1.323 730 F HN 0.227 nan 8.300 nan 0.000 0.457 731 Q N 1.506 121.223 119.800 -0.137 0.000 2.235 731 Q HA 0.819 5.159 4.340 -0.000 0.000 0.256 731 Q C -0.890 174.984 176.000 -0.210 0.000 0.951 731 Q CA -0.961 54.700 55.803 -0.235 0.000 0.890 731 Q CB 2.205 30.940 28.738 -0.006 0.000 1.279 731 Q HN 1.027 nan 8.270 nan 0.000 0.444 732 A N 2.144 124.834 122.820 -0.217 0.000 2.593 732 A HA 0.896 5.216 4.320 -0.000 0.000 0.290 732 A C -1.257 176.235 177.584 -0.154 0.000 1.126 732 A CA -0.620 51.360 52.037 -0.096 0.000 0.695 732 A CB 2.109 21.136 19.000 0.045 0.000 1.290 732 A HN 0.667 nan 8.150 nan 0.000 0.414 733 M N 0.628 120.139 119.600 -0.148 0.000 2.346 733 M HA 0.256 4.736 4.480 -0.000 0.000 0.287 733 M C -2.016 174.182 176.300 -0.170 0.000 1.100 733 M CA 0.015 55.102 55.300 -0.354 0.000 0.950 733 M CB 1.818 34.015 32.600 -0.670 0.000 1.815 733 M HN 0.976 nan 8.290 nan 0.000 0.497 734 W N 2.525 123.716 121.300 -0.182 0.000 2.449 734 W HA 0.724 5.384 4.660 -0.000 0.000 0.331 734 W C -1.927 174.403 176.519 -0.315 0.000 1.119 734 W CA -0.685 56.642 57.345 -0.031 0.000 1.240 734 W CB 0.216 29.706 29.460 0.051 0.000 1.251 734 W HN 0.459 nan 8.180 nan 0.000 0.576 735 Y N 2.432 122.878 120.300 0.245 0.000 2.334 735 Y HA 0.301 4.851 4.550 -0.000 0.000 0.336 735 Y C 0.616 176.685 175.900 0.281 0.000 0.960 735 Y CA -0.995 57.179 58.100 0.123 0.000 1.164 735 Y CB 1.471 39.950 38.460 0.033 0.000 1.155 735 Y HN 0.426 nan 8.280 nan 0.000 0.478 736 T N 4.635 119.442 114.554 0.421 0.000 2.829 736 T HA 0.019 4.369 4.350 -0.000 0.000 0.293 736 T C 0.085 174.909 174.700 0.207 0.000 0.970 736 T CA 0.646 62.934 62.100 0.314 0.000 1.168 736 T CB -0.225 68.791 68.868 0.246 0.000 0.911 736 T HN 0.725 nan 8.240 nan 0.000 0.535 737 D N 1.045 121.535 120.400 0.151 0.000 3.077 737 D HA -0.118 4.522 4.640 -0.000 0.000 0.212 737 D C 0.428 176.881 176.300 0.255 0.000 1.125 737 D CA 1.156 55.196 54.000 0.066 0.000 0.970 737 D CB -0.286 40.419 40.800 -0.158 0.000 1.110 737 D HN 0.517 nan 8.370 nan 0.000 0.419 738 E N 0.215 120.580 120.200 0.276 0.000 2.280 738 E HA 0.448 4.798 4.350 -0.000 0.000 0.261 738 E C 0.648 177.439 176.600 0.318 0.000 1.088 738 E CA -0.274 56.298 56.400 0.286 0.000 0.915 738 E CB 1.127 30.982 29.700 0.257 0.000 1.141 738 E HN 0.342 nan 8.360 nan 0.000 0.433 739 D N -1.664 118.923 120.400 0.311 0.000 2.658 739 D HA 0.035 4.675 4.640 -0.000 0.000 0.243 739 D C 1.047 177.579 176.300 0.387 0.000 1.159 739 D CA -0.152 54.055 54.000 0.345 0.000 1.084 739 D CB -0.284 40.731 40.800 0.358 0.000 1.227 739 D HN 0.343 nan 8.370 nan 0.000 0.636 740 H N -1.343 117.888 119.070 0.269 0.000 2.423 740 H HA 0.144 4.699 4.556 -0.000 0.000 0.297 740 H C 1.905 177.441 175.328 0.346 0.000 1.075 740 H CA 2.136 58.357 56.048 0.288 0.000 1.342 740 H CB -0.461 29.458 29.762 0.261 0.000 1.395 740 H HN 0.497 nan 8.280 nan 0.000 0.530 741 G N -0.336 108.573 108.800 0.183 0.000 2.623 741 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.214 741 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.214 741 G C 0.655 175.638 174.900 0.137 0.000 1.138 741 G CA 0.267 45.352 45.100 -0.025 0.000 0.794 741 G HN 0.481 nan 8.290 nan 0.000 0.535 742 I N 0.076 120.810 120.570 0.274 0.000 5.071 742 I HA -0.311 3.858 4.170 -0.000 0.000 0.126 742 I C 1.370 177.574 176.117 0.146 0.000 1.290 742 I CA 0.287 61.724 61.300 0.227 0.000 2.644 742 I CB -0.766 37.385 38.000 0.253 0.000 2.208 742 I HN 0.235 nan 8.210 nan 0.000 0.322 743 A N 1.994 124.871 122.820 0.095 0.000 2.538 743 A HA 0.371 4.691 4.320 -0.000 0.000 0.269 743 A C 1.020 178.628 177.584 0.040 0.000 1.231 743 A CA 0.450 52.503 52.037 0.027 0.000 0.948 743 A CB 0.218 19.185 19.000 -0.055 0.000 1.110 743 A HN 0.654 nan 8.150 nan 0.000 0.529 744 S N 0.440 116.187 115.700 0.078 0.000 2.573 744 S HA 0.047 4.516 4.470 -0.000 0.000 0.297 744 S C 1.354 175.998 174.600 0.073 0.000 1.280 744 S CA 0.499 58.746 58.200 0.078 0.000 1.061 744 S CB 0.746 64.003 63.200 0.096 0.000 0.812 744 S HN 1.077 nan 8.310 nan 0.000 0.500 745 S N 3.600 119.334 115.700 0.057 0.000 2.372 745 S HA -0.231 4.238 4.470 -0.000 0.000 0.227 745 S C 1.961 176.612 174.600 0.085 0.000 1.044 745 S CA 2.337 60.575 58.200 0.063 0.000 1.050 745 S CB -1.829 61.391 63.200 0.032 0.000 0.901 745 S HN 1.089 nan 8.310 nan 0.000 0.447 746 T N 0.981 115.572 114.554 0.061 0.000 2.614 746 T HA 0.074 4.424 4.350 -0.000 0.000 0.263 746 T C 2.157 176.888 174.700 0.053 0.000 1.055 746 T CA 1.708 63.839 62.100 0.052 0.000 1.162 746 T CB -1.543 67.358 68.868 0.056 0.000 0.863 746 T HN 0.700 nan 8.240 nan 0.000 0.414 747 A N 2.415 125.256 122.820 0.035 0.000 1.906 747 A HA -0.370 3.950 4.320 -0.000 0.000 0.222 747 A C 2.140 179.633 177.584 -0.151 0.000 1.282 747 A CA 3.043 55.011 52.037 -0.115 0.000 0.675 747 A CB -1.757 17.197 19.000 -0.076 0.000 0.838 747 A HN 0.832 nan 8.150 nan 0.000 0.469 748 H N -0.308 118.707 119.070 -0.091 0.000 2.371 748 H HA -0.234 4.322 4.556 -0.000 0.000 0.292 748 H C 2.170 177.501 175.328 0.005 0.000 1.066 748 H CA 2.631 58.666 56.048 -0.021 0.000 1.153 748 H CB -0.791 28.974 29.762 0.005 0.000 1.375 748 H HN 0.659 nan 8.280 nan 0.000 0.558 749 Q N -0.940 118.756 119.800 -0.175 0.000 2.103 749 Q HA -0.333 4.007 4.340 -0.000 0.000 0.213 749 Q C 2.390 178.349 176.000 -0.068 0.000 1.008 749 Q CA 2.091 57.779 55.803 -0.193 0.000 0.879 749 Q CB -0.609 28.070 28.738 -0.098 0.000 0.946 749 Q HN 0.746 nan 8.270 nan 0.000 0.413 750 H N 0.212 119.204 119.070 -0.130 0.000 2.254 750 H HA -0.202 4.353 4.556 -0.000 0.000 0.294 750 H C 2.278 177.568 175.328 -0.063 0.000 1.071 750 H CA 1.659 57.669 56.048 -0.063 0.000 1.228 750 H CB -0.143 29.624 29.762 0.007 0.000 1.358 750 H HN 0.350 nan 8.280 nan 0.000 0.495 751 I N 0.018 120.483 120.570 -0.175 0.000 2.151 751 I HA -0.363 3.806 4.170 -0.000 0.000 0.243 751 I C 1.727 177.676 176.117 -0.280 0.000 1.080 751 I CA 1.690 62.829 61.300 -0.268 0.000 1.339 751 I CB -0.378 37.291 38.000 -0.553 0.000 1.039 751 I HN 0.325 nan 8.210 nan 0.000 0.409 752 Y N 1.104 121.221 120.300 -0.305 0.000 2.403 752 Y HA -0.184 4.366 4.550 -0.000 0.000 0.291 752 Y C 2.699 178.401 175.900 -0.330 0.000 1.143 752 Y CA 1.744 59.551 58.100 -0.489 0.000 1.257 752 Y CB -0.919 37.217 38.460 -0.539 0.000 0.984 752 Y HN 0.228 nan 8.280 nan 0.000 0.550 753 T N -2.079 112.454 114.554 -0.035 0.000 2.942 753 T HA -0.144 4.206 4.350 -0.000 0.000 0.265 753 T C 1.525 176.212 174.700 -0.023 0.000 1.062 753 T CA 1.346 63.412 62.100 -0.058 0.000 1.139 753 T CB -0.227 68.641 68.868 -0.001 0.000 0.883 753 T HN 0.379 nan 8.240 nan 0.000 0.468 754 H N 0.865 119.948 119.070 0.021 0.000 2.363 754 H HA 0.190 4.746 4.556 -0.000 0.000 0.301 754 H C 2.128 177.485 175.328 0.049 0.000 1.074 754 H CA 1.435 57.529 56.048 0.077 0.000 1.354 754 H CB -0.121 29.661 29.762 0.034 0.000 1.397 754 H HN 0.228 nan 8.280 nan 0.000 0.516 755 M N -0.991 118.596 119.600 -0.023 0.000 2.229 755 M HA -0.127 4.353 4.480 -0.000 0.000 0.264 755 M C 2.325 178.752 176.300 0.212 0.000 1.063 755 M CA 1.094 56.375 55.300 -0.031 0.000 1.114 755 M CB 0.053 32.434 32.600 -0.364 0.000 1.387 755 M HN 0.180 nan 8.290 nan 0.000 0.420 756 S N -0.616 115.210 115.700 0.210 0.000 2.368 756 S HA -0.141 4.329 4.470 -0.000 0.000 0.225 756 S C 1.681 176.400 174.600 0.197 0.000 1.030 756 S CA 0.971 59.390 58.200 0.365 0.000 0.999 756 S CB -0.425 62.978 63.200 0.339 0.000 0.844 756 S HN 0.448 nan 8.310 nan 0.000 0.459 757 H N 0.025 119.170 119.070 0.124 0.000 2.319 757 H HA -0.057 4.499 4.556 -0.000 0.000 0.299 757 H C 1.927 177.268 175.328 0.021 0.000 1.092 757 H CA 1.398 57.472 56.048 0.042 0.000 1.302 757 H CB -0.853 28.888 29.762 -0.036 0.000 1.373 757 H HN 0.505 nan 8.280 nan 0.000 0.497 758 F N 0.514 120.463 119.950 -0.002 0.000 2.171 758 F HA -0.132 4.395 4.527 -0.000 0.000 0.300 758 F C 2.345 178.110 175.800 -0.058 0.000 1.090 758 F CA 0.821 58.791 58.000 -0.051 0.000 1.293 758 F CB -0.331 38.620 39.000 -0.082 0.000 1.013 758 F HN -0.020 nan 8.300 nan 0.000 0.486 759 I N 0.585 121.182 120.570 0.044 0.000 2.233 759 I HA -0.217 3.953 4.170 -0.000 0.000 0.243 759 I C 2.360 178.259 176.117 -0.364 0.000 1.093 759 I CA 1.117 62.261 61.300 -0.261 0.000 1.380 759 I CB -0.537 37.380 38.000 -0.138 0.000 1.067 759 I HN -0.012 nan 8.210 nan 0.000 0.413 760 K N 0.296 120.636 120.400 -0.099 0.000 1.988 760 K HA -0.347 3.973 4.320 -0.000 0.000 0.221 760 K C 2.090 178.662 176.600 -0.047 0.000 1.053 760 K CA 2.584 58.864 56.287 -0.011 0.000 0.959 760 K CB -0.603 31.957 32.500 0.100 0.000 0.728 760 K HN 0.467 nan 8.250 nan 0.000 0.447 761 Q N 0.919 120.675 119.800 -0.073 0.000 2.118 761 Q HA -0.250 4.090 4.340 -0.000 0.000 0.211 761 Q C 2.267 178.189 176.000 -0.129 0.000 0.998 761 Q CA 2.318 58.063 55.803 -0.096 0.000 0.872 761 Q CB -1.410 27.262 28.738 -0.110 0.000 0.925 761 Q HN 0.428 nan 8.270 nan 0.000 0.414 762 c N -0.502 117.917 118.600 -0.303 0.000 2.403 762 c HA -0.104 4.466 4.570 -0.000 0.000 0.279 762 c C 1.470 175.646 174.090 0.144 0.000 1.269 762 c CA 0.590 56.781 56.329 -0.229 0.000 1.774 762 c CB -1.288 40.930 42.510 -0.486 0.000 1.993 762 c HN 0.644 nan 8.230 nan 0.000 0.496 763 F N 1.175 121.091 119.950 -0.057 0.000 2.639 763 F HA 0.285 4.812 4.527 -0.000 0.000 0.300 763 F C 1.573 177.364 175.800 -0.015 0.000 1.109 763 F CA 0.079 58.068 58.000 -0.018 0.000 1.335 763 F CB -1.377 37.623 39.000 -0.001 0.000 1.014 763 F HN 0.157 nan 8.300 nan 0.000 0.537 764 S N 1.207 116.994 115.700 0.145 0.000 3.614 764 S HA -0.185 4.285 4.470 -0.000 0.000 0.360 764 S C -0.001 174.647 174.600 0.080 0.000 1.023 764 S CA 0.249 58.496 58.200 0.079 0.000 1.114 764 S CB -1.518 61.715 63.200 0.054 0.000 0.907 764 S HN 0.211 nan 8.310 nan 0.000 0.470 765 L N 1.228 122.510 121.223 0.099 0.000 2.305 765 L HA 0.511 4.851 4.340 -0.000 0.000 0.284 765 L C -1.841 175.073 176.870 0.075 0.000 1.013 765 L CA -1.794 53.101 54.840 0.093 0.000 0.819 765 L CB 1.342 43.479 42.059 0.131 0.000 1.227 765 L HN 0.035 nan 8.230 nan 0.000 0.417 766 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 31.725 31.700 0.042 0.000 0.726