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_A 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 0.000 174.649 174.600 0.081 0.000 1.055 39 S CA 0.000 58.252 58.200 0.086 0.000 1.107 39 S CB 0.000 63.228 63.200 0.047 0.000 0.593 40 R N 2.367 122.921 120.500 0.089 0.000 3.902 40 R HA -0.260 4.079 4.340 -0.002 0.000 0.356 40 R C 0.650 177.005 176.300 0.091 0.000 0.284 40 R CA 2.347 58.496 56.100 0.082 0.000 1.171 40 R CB -1.764 28.576 30.300 0.067 0.000 0.939 40 R HN 0.719 nan 8.270 nan 0.000 0.580 41 K N 2.117 122.571 120.400 0.091 0.000 2.234 41 K HA 0.107 4.426 4.320 -0.002 0.000 0.251 41 K C 0.241 176.908 176.600 0.112 0.000 1.011 41 K CA 0.863 57.212 56.287 0.103 0.000 0.889 41 K CB 0.500 33.070 32.500 0.116 0.000 1.011 41 K HN 0.585 nan 8.250 nan 0.000 0.505 42 T N -0.023 114.608 114.554 0.128 0.000 2.942 42 T HA 0.184 4.533 4.350 -0.002 0.000 0.289 42 T C -1.263 173.560 174.700 0.205 0.000 1.044 42 T CA -0.760 61.429 62.100 0.147 0.000 1.023 42 T CB 0.516 69.467 68.868 0.138 0.000 1.123 42 T HN 0.468 nan 8.240 nan 0.000 0.512 43 Y N 2.604 122.955 120.300 0.085 0.000 2.650 43 Y HA 0.328 4.877 4.550 -0.002 0.000 0.342 43 Y C 0.701 176.748 175.900 0.246 0.000 1.110 43 Y CA 0.389 58.565 58.100 0.127 0.000 1.438 43 Y CB -0.154 38.353 38.460 0.079 0.000 1.181 43 Y HN 0.640 nan 8.280 nan 0.000 0.526 44 T N 7.321 121.805 114.554 -0.117 0.000 2.882 44 T HA 0.109 4.458 4.350 -0.002 0.000 0.287 44 T C 1.123 175.668 174.700 -0.258 0.000 0.992 44 T CA -0.673 61.404 62.100 -0.039 0.000 1.076 44 T CB 0.879 69.740 68.868 -0.011 0.000 0.961 44 T HN 0.770 nan 8.240 nan 0.000 0.490 45 L N 4.604 125.605 121.223 -0.369 0.000 2.089 45 L HA -0.113 4.225 4.340 -0.002 0.000 0.213 45 L C 2.350 178.987 176.870 -0.387 0.000 1.079 45 L CA 2.180 56.512 54.840 -0.846 0.000 0.758 45 L CB -1.011 40.409 42.059 -1.065 0.000 0.891 45 L HN 0.802 nan 8.230 nan 0.000 0.433 46 T N -1.740 112.665 114.554 -0.249 0.000 3.035 46 T HA -0.088 4.261 4.350 -0.002 0.000 0.268 46 T C 1.474 176.070 174.700 -0.173 0.000 1.109 46 T CA 0.961 62.954 62.100 -0.179 0.000 1.119 46 T CB -0.361 68.441 68.868 -0.111 0.000 0.900 46 T HN 0.386 nan 8.240 nan 0.000 0.503 47 D N 0.463 120.732 120.400 -0.218 0.000 2.123 47 D HA -0.047 4.591 4.640 -0.002 0.000 0.200 47 D C 1.717 177.934 176.300 -0.138 0.000 0.976 47 D CA 0.866 54.746 54.000 -0.201 0.000 0.831 47 D CB -0.216 40.409 40.800 -0.291 0.000 0.974 47 D HN 0.414 nan 8.370 nan 0.000 0.469 48 Y N 1.378 121.465 120.300 -0.355 0.000 2.163 48 Y HA -0.150 4.398 4.550 -0.002 0.000 0.288 48 Y C 1.982 177.847 175.900 -0.058 0.000 1.136 48 Y CA 0.895 58.954 58.100 -0.069 0.000 1.147 48 Y CB -0.504 37.942 38.460 -0.024 0.000 0.987 48 Y HN -0.161 nan 8.280 nan 0.000 0.509 49 L N 0.795 121.767 121.223 -0.418 0.000 1.976 49 L HA -0.174 4.165 4.340 -0.002 0.000 0.209 49 L C 2.068 178.787 176.870 -0.252 0.000 1.071 49 L CA 1.917 56.474 54.840 -0.471 0.000 0.746 49 L CB -0.996 40.865 42.059 -0.329 0.000 0.890 49 L HN 0.126 nan 8.230 nan 0.000 0.432 50 K N -0.528 119.775 120.400 -0.162 0.000 2.444 50 K HA 0.042 4.361 4.320 -0.002 0.000 0.193 50 K C 0.450 177.007 176.600 -0.071 0.000 1.024 50 K CA -0.060 56.168 56.287 -0.098 0.000 1.077 50 K CB -0.528 31.922 32.500 -0.082 0.000 0.833 50 K HN 0.343 nan 8.250 nan 0.000 0.517 51 N N 1.484 120.150 118.700 -0.057 0.000 2.771 51 N HA -0.126 4.613 4.740 -0.002 0.000 0.249 51 N C -0.406 175.100 175.510 -0.008 0.000 1.069 51 N CA 0.809 53.868 53.050 0.016 0.000 0.688 51 N CB -1.192 37.304 38.487 0.015 0.000 0.928 51 N HN 0.128 nan 8.380 nan 0.000 0.551 52 T N -0.448 114.065 114.554 -0.070 0.000 3.160 52 T HA -0.013 4.335 4.350 -0.002 0.000 0.257 52 T C 0.040 174.390 174.700 -0.584 0.000 1.147 52 T CA 0.937 62.849 62.100 -0.312 0.000 1.064 52 T CB -0.111 68.501 68.868 -0.426 0.000 0.949 52 T HN 0.358 nan 8.240 nan 0.000 0.526 53 Y N 0.988 121.393 120.300 0.174 0.000 2.349 53 Y HA 0.507 5.056 4.550 -0.002 0.000 0.324 53 Y C 0.230 176.227 175.900 0.161 0.000 1.005 53 Y CA -1.365 56.845 58.100 0.184 0.000 1.240 53 Y CB 0.969 39.581 38.460 0.255 0.000 1.117 53 Y HN -0.161 nan 8.280 nan 0.000 0.463 54 R N 3.077 123.701 120.500 0.207 0.000 2.407 54 R HA 0.608 4.947 4.340 -0.002 0.000 0.303 54 R C -1.191 175.212 176.300 0.172 0.000 0.981 54 R CA -0.702 55.492 56.100 0.157 0.000 0.905 54 R CB 0.907 31.262 30.300 0.092 0.000 1.099 54 R HN 0.699 nan 8.270 nan 0.000 0.459 55 L N 4.628 125.951 121.223 0.167 0.000 2.260 55 L HA 0.307 4.646 4.340 -0.002 0.000 0.289 55 L C 0.185 177.144 176.870 0.149 0.000 1.057 55 L CA -0.291 54.655 54.840 0.177 0.000 0.811 55 L CB 1.164 43.339 42.059 0.193 0.000 1.184 55 L HN 0.465 nan 8.230 nan 0.000 0.429 56 K N 3.671 124.158 120.400 0.144 0.000 2.401 56 K HA 0.352 4.670 4.320 -0.002 0.000 0.278 56 K C -0.591 176.093 176.600 0.139 0.000 1.018 56 K CA -0.178 56.180 56.287 0.119 0.000 0.981 56 K CB 0.757 33.323 32.500 0.110 0.000 0.933 56 K HN 0.326 nan 8.250 nan 0.000 0.477 57 L N 1.786 123.005 121.223 -0.006 0.000 2.267 57 L HA 0.450 4.788 4.340 -0.002 0.000 0.264 57 L C -0.688 175.762 176.870 -0.700 0.000 1.021 57 L CA -0.813 53.852 54.840 -0.291 0.000 0.861 57 L CB 0.370 42.389 42.059 -0.066 0.000 1.443 57 L HN 0.467 nan 8.230 nan 0.000 0.475 58 Y N -0.124 119.379 120.300 -1.329 0.000 2.513 58 Y HA 0.377 4.925 4.550 -0.002 0.000 0.341 58 Y C -0.606 175.020 175.900 -0.457 0.000 1.075 58 Y CA -0.376 57.203 58.100 -0.869 0.000 1.190 58 Y CB 1.162 39.001 38.460 -1.035 0.000 1.111 58 Y HN 0.452 nan 8.280 nan 0.000 0.644 59 S N 5.899 121.416 115.700 -0.304 0.000 2.411 59 S HA 0.374 4.843 4.470 -0.002 0.000 0.304 59 S C -0.227 174.245 174.600 -0.213 0.000 1.098 59 S CA -0.531 57.565 58.200 -0.174 0.000 1.068 59 S CB -0.250 62.899 63.200 -0.085 0.000 1.032 59 S HN 0.556 nan 8.310 nan 0.000 0.511 60 L N 1.697 122.727 121.223 -0.321 0.000 2.335 60 L HA 0.765 5.104 4.340 -0.002 0.000 0.268 60 L C -0.385 176.314 176.870 -0.285 0.000 1.016 60 L CA -0.878 53.707 54.840 -0.424 0.000 0.805 60 L CB 0.880 42.340 42.059 -0.997 0.000 1.311 60 L HN 0.421 nan 8.230 nan 0.000 0.456 61 R N 0.834 121.205 120.500 -0.216 0.000 2.631 61 R HA 0.290 4.629 4.340 -0.002 0.000 0.289 61 R C -1.658 174.658 176.300 0.027 0.000 1.303 61 R CA -0.357 55.711 56.100 -0.053 0.000 0.989 61 R CB 1.181 31.530 30.300 0.082 0.000 1.208 61 R HN 0.698 nan 8.270 nan 0.000 0.461 62 W N 4.445 125.860 121.300 0.192 0.000 2.223 62 W HA 0.063 4.722 4.660 -0.002 0.000 0.334 62 W C 1.734 178.326 176.519 0.122 0.000 1.334 62 W CA -0.372 57.084 57.345 0.185 0.000 1.246 62 W CB 0.553 30.125 29.460 0.186 0.000 1.184 62 W HN 0.537 nan 8.180 nan 0.000 0.563 63 I N 0.749 121.515 120.570 0.327 0.000 3.966 63 I HA 0.371 4.540 4.170 -0.002 0.000 0.324 63 I C 0.067 176.264 176.117 0.134 0.000 1.517 63 I CA 0.009 61.406 61.300 0.163 0.000 1.117 63 I CB -0.775 37.241 38.000 0.026 0.000 1.190 63 I HN 0.399 nan 8.210 nan 0.000 0.466 64 S N 0.677 116.499 115.700 0.203 0.000 2.682 64 S HA 0.171 4.640 4.470 -0.002 0.000 0.280 64 S C -0.066 174.651 174.600 0.195 0.000 1.207 64 S CA 0.176 58.477 58.200 0.167 0.000 0.987 64 S CB 0.562 63.841 63.200 0.132 0.000 1.263 64 S HN 0.215 nan 8.310 nan 0.000 0.494 65 D N 0.469 121.001 120.400 0.220 0.000 2.347 65 D HA 0.014 4.653 4.640 -0.002 0.000 0.213 65 D C 1.055 177.545 176.300 0.317 0.000 0.985 65 D CA 1.411 55.527 54.000 0.194 0.000 0.879 65 D CB -0.571 40.341 40.800 0.186 0.000 0.919 65 D HN 0.845 nan 8.370 nan 0.000 0.526 66 H N -1.213 117.953 119.070 0.160 0.000 3.007 66 H HA 0.448 5.002 4.556 -0.002 0.000 0.251 66 H C -0.945 174.447 175.328 0.106 0.000 1.188 66 H CA -0.495 55.589 56.048 0.060 0.000 1.017 66 H CB -0.218 29.569 29.762 0.041 0.000 1.805 66 H HN 0.058 nan 8.280 nan 0.000 0.659 67 E N 1.014 121.258 120.200 0.073 0.000 2.366 67 E HA 0.412 4.760 4.350 -0.002 0.000 0.278 67 E C -1.666 175.064 176.600 0.217 0.000 0.923 67 E CA -1.124 55.259 56.400 -0.029 0.000 0.761 67 E CB 2.564 32.083 29.700 -0.302 0.000 1.231 67 E HN 0.265 nan 8.360 nan 0.000 0.443 68 Y N -0.444 119.882 120.300 0.043 0.000 2.581 68 Y HA 0.689 5.237 4.550 -0.002 0.000 0.345 68 Y C -1.731 174.162 175.900 -0.011 0.000 1.036 68 Y CA -1.667 56.353 58.100 -0.132 0.000 1.042 68 Y CB 0.711 38.759 38.460 -0.687 0.000 1.289 68 Y HN 0.409 nan 8.280 nan 0.000 0.471 69 L N 3.250 124.653 121.223 0.300 0.000 2.325 69 L HA 0.595 4.933 4.340 -0.002 0.000 0.279 69 L C -1.118 175.980 176.870 0.380 0.000 1.054 69 L CA -0.933 54.092 54.840 0.308 0.000 0.804 69 L CB 1.348 43.493 42.059 0.143 0.000 1.200 69 L HN 0.778 nan 8.230 nan 0.000 0.436 70 Y N 2.434 122.892 120.300 0.263 0.000 2.482 70 Y HA 0.365 4.914 4.550 -0.002 0.000 0.334 70 Y C -1.348 174.623 175.900 0.118 0.000 1.091 70 Y CA -1.408 56.708 58.100 0.027 0.000 1.027 70 Y CB 1.550 39.851 38.460 -0.264 0.000 1.306 70 Y HN 0.489 nan 8.280 nan 0.000 0.446 71 K N 4.903 124.887 120.400 -0.693 0.000 2.292 71 K HA 0.316 4.635 4.320 -0.002 0.000 0.270 71 K C -0.943 175.213 176.600 -0.741 0.000 1.062 71 K CA -0.688 55.311 56.287 -0.480 0.000 0.916 71 K CB 1.732 34.094 32.500 -0.230 0.000 1.166 71 K HN 0.741 nan 8.250 nan 0.000 0.458 72 Q N 2.308 121.886 119.800 -0.370 0.000 2.293 72 Q HA 0.077 4.415 4.340 -0.002 0.000 0.251 72 Q C 0.108 176.045 176.000 -0.105 0.000 0.930 72 Q CA 0.526 56.232 55.803 -0.162 0.000 0.893 72 Q CB 0.844 29.630 28.738 0.079 0.000 1.215 72 Q HN 0.742 nan 8.270 nan 0.000 0.425 73 E N 1.930 122.090 120.200 -0.067 0.000 3.481 73 E HA -0.442 3.906 4.350 -0.002 0.000 0.436 73 E C -0.257 176.301 176.600 -0.070 0.000 1.609 73 E CA 2.534 58.905 56.400 -0.048 0.000 1.448 73 E CB -0.717 28.970 29.700 -0.020 0.000 1.457 73 E HN 0.879 nan 8.360 nan 0.000 0.431 74 N N 0.327 118.996 118.700 -0.052 0.000 2.187 74 N HA 0.167 4.906 4.740 -0.002 0.000 0.212 74 N C -0.981 174.499 175.510 -0.050 0.000 1.152 74 N CA -0.105 52.917 53.050 -0.046 0.000 0.872 74 N CB 0.293 38.763 38.487 -0.028 0.000 1.025 74 N HN 0.212 nan 8.380 nan 0.000 0.514 75 N N 0.529 119.193 118.700 -0.060 0.000 2.482 75 N HA 0.353 5.092 4.740 -0.002 0.000 0.279 75 N C -0.848 174.623 175.510 -0.065 0.000 1.182 75 N CA -0.472 52.540 53.050 -0.064 0.000 0.969 75 N CB 1.836 40.288 38.487 -0.059 0.000 1.201 75 N HN -0.082 nan 8.380 nan 0.000 0.523 76 I N 2.198 122.734 120.570 -0.056 0.000 2.306 76 I HA 0.206 4.375 4.170 -0.002 0.000 0.288 76 I C -0.476 175.660 176.117 0.032 0.000 1.036 76 I CA -0.413 60.871 61.300 -0.026 0.000 1.221 76 I CB 0.498 38.458 38.000 -0.066 0.000 1.385 76 I HN 0.277 nan 8.210 nan 0.000 0.472 77 L N 6.891 128.146 121.223 0.054 0.000 2.325 77 L HA 0.543 4.881 4.340 -0.002 0.000 0.279 77 L C -0.058 176.816 176.870 0.007 0.000 1.054 77 L CA -0.763 54.067 54.840 -0.017 0.000 0.804 77 L CB 1.890 43.902 42.059 -0.078 0.000 1.200 77 L HN 0.287 nan 8.230 nan 0.000 0.436 78 V N 2.955 122.771 119.914 -0.165 0.000 2.612 78 V HA 0.534 4.653 4.120 -0.002 0.000 0.301 78 V C -0.987 174.832 176.094 -0.459 0.000 1.046 78 V CA -0.230 61.964 62.300 -0.177 0.000 0.946 78 V CB 1.720 33.414 31.823 -0.216 0.000 1.003 78 V HN 0.486 nan 8.190 nan 0.000 0.459 79 F N 4.465 124.152 119.950 -0.439 0.000 2.529 79 F HA 0.457 4.983 4.527 -0.002 0.000 0.320 79 F C 0.302 175.767 175.800 -0.558 0.000 1.118 79 F CA -0.642 56.999 58.000 -0.598 0.000 0.915 79 F CB 1.672 39.942 39.000 -1.217 0.000 1.161 79 F HN 0.507 nan 8.300 nan 0.000 0.445 80 N N 2.057 120.668 118.700 -0.148 0.000 2.442 80 N HA 0.214 4.953 4.740 -0.002 0.000 0.265 80 N C 0.461 175.928 175.510 -0.072 0.000 1.138 80 N CA 0.271 53.277 53.050 -0.073 0.000 0.956 80 N CB 1.735 40.284 38.487 0.103 0.000 1.067 80 N HN 0.846 nan 8.380 nan 0.000 0.474 81 A N 3.575 126.301 122.820 -0.157 0.000 1.970 81 A HA -0.100 4.219 4.320 -0.002 0.000 0.216 81 A C 1.705 179.099 177.584 -0.317 0.000 1.170 81 A CA 1.011 52.940 52.037 -0.181 0.000 0.645 81 A CB -0.218 18.695 19.000 -0.144 0.000 0.816 81 A HN 0.778 nan 8.150 nan 0.000 0.447 82 E N -1.825 118.096 120.200 -0.465 0.000 2.502 82 E HA -0.040 4.308 4.350 -0.002 0.000 0.194 82 E C 0.439 176.659 176.600 -0.632 0.000 1.062 82 E CA 0.875 56.988 56.400 -0.478 0.000 0.867 82 E CB -0.199 29.215 29.700 -0.477 0.000 0.888 82 E HN 0.690 nan 8.360 nan 0.000 0.510 83 Y N -2.420 117.883 120.300 0.004 0.000 2.476 83 Y HA 0.360 4.908 4.550 -0.002 0.000 0.261 83 Y C 1.656 177.572 175.900 0.028 0.000 1.077 83 Y CA -0.035 58.077 58.100 0.020 0.000 1.240 83 Y CB 1.002 39.475 38.460 0.021 0.000 1.317 83 Y HN 0.092 nan 8.280 nan 0.000 0.540 84 G N 1.336 110.224 108.800 0.147 0.000 2.302 84 G HA2 -0.385 3.574 3.960 -0.002 0.000 0.263 84 G HA3 -0.385 3.574 3.960 -0.002 0.000 0.263 84 G C 0.361 175.379 174.900 0.198 0.000 0.995 84 G CA 0.467 45.670 45.100 0.172 0.000 0.622 84 G HN 0.503 nan 8.290 nan 0.000 0.538 85 N N 0.888 119.672 118.700 0.140 0.000 2.458 85 N HA 0.380 5.119 4.740 -0.002 0.000 0.258 85 N C 0.072 175.543 175.510 -0.065 0.000 1.219 85 N CA 0.963 54.041 53.050 0.046 0.000 0.902 85 N CB 1.178 39.676 38.487 0.019 0.000 1.076 85 N HN 0.890 nan 8.380 nan 0.000 0.455 86 S N 0.478 116.062 115.700 -0.192 0.000 2.671 86 S HA 0.785 5.253 4.470 -0.002 0.000 0.299 86 S C -0.670 173.748 174.600 -0.303 0.000 1.116 86 S CA -0.828 57.090 58.200 -0.469 0.000 0.912 86 S CB 1.503 64.028 63.200 -1.126 0.000 1.130 86 S HN 0.893 nan 8.310 nan 0.000 0.501 87 S N -0.506 115.011 115.700 -0.304 0.000 2.579 87 S HA 0.635 5.104 4.470 -0.002 0.000 0.272 87 S C -0.372 174.144 174.600 -0.140 0.000 1.141 87 S CA -0.574 57.519 58.200 -0.177 0.000 0.843 87 S CB 0.728 63.866 63.200 -0.104 0.000 1.122 87 S HN 1.979 nan 8.310 nan 0.000 0.468 88 V N 1.213 121.072 119.914 -0.091 0.000 2.450 88 V HA 0.368 4.487 4.120 -0.002 0.000 0.281 88 V C 0.603 176.699 176.094 0.002 0.000 1.019 88 V CA 0.038 62.304 62.300 -0.055 0.000 1.062 88 V CB -0.414 31.366 31.823 -0.072 0.000 0.979 88 V HN 0.907 nan 8.190 nan 0.000 0.477 89 F N 5.319 125.190 119.950 -0.131 0.000 2.219 89 F HA 0.451 4.976 4.527 -0.002 0.000 0.294 89 F C 0.505 176.228 175.800 -0.127 0.000 1.086 89 F CA 1.021 58.948 58.000 -0.121 0.000 1.330 89 F CB 0.520 39.451 39.000 -0.114 0.000 1.047 89 F HN 0.582 nan 8.300 nan 0.000 0.495 90 L N 0.544 121.693 121.223 -0.123 0.000 2.493 90 L HA 0.410 4.748 4.340 -0.002 0.000 0.265 90 L C -0.888 175.882 176.870 -0.167 0.000 0.954 90 L CA -0.556 54.148 54.840 -0.226 0.000 0.844 90 L CB 1.523 43.444 42.059 -0.231 0.000 1.302 90 L HN -0.076 nan 8.230 nan 0.000 0.405 91 E N 1.695 121.779 120.200 -0.193 0.000 2.391 91 E HA 0.173 4.522 4.350 -0.002 0.000 0.255 91 E C 0.474 176.991 176.600 -0.139 0.000 1.187 91 E CA 0.274 56.584 56.400 -0.150 0.000 0.941 91 E CB 0.309 29.922 29.700 -0.145 0.000 1.010 91 E HN 0.720 nan 8.360 nan 0.000 0.458 92 N N -0.281 118.362 118.700 -0.095 0.000 2.457 92 N HA -0.122 4.617 4.740 -0.002 0.000 0.180 92 N C 0.773 176.246 175.510 -0.062 0.000 1.050 92 N CA 0.900 53.913 53.050 -0.061 0.000 0.906 92 N CB -0.083 38.378 38.487 -0.045 0.000 0.968 92 N HN 0.316 nan 8.380 nan 0.000 0.445 93 S N -2.127 113.512 115.700 -0.100 0.000 2.554 93 S HA 0.153 4.621 4.470 -0.002 0.000 0.226 93 S C 1.071 175.572 174.600 -0.165 0.000 0.980 93 S CA -0.394 57.749 58.200 -0.095 0.000 0.939 93 S CB -0.500 62.651 63.200 -0.081 0.000 0.832 93 S HN 0.147 nan 8.310 nan 0.000 0.486 94 T N 1.280 115.655 114.554 -0.299 0.000 2.867 94 T HA 0.114 4.463 4.350 -0.002 0.000 0.268 94 T C 0.250 174.569 174.700 -0.635 0.000 1.057 94 T CA 1.034 62.798 62.100 -0.560 0.000 1.136 94 T CB -0.395 67.939 68.868 -0.891 0.000 0.874 94 T HN 0.525 nan 8.240 nan 0.000 0.466 95 F N 1.160 121.031 119.950 -0.132 0.000 2.708 95 F HA 0.317 4.843 4.527 -0.002 0.000 0.300 95 F C 0.964 176.764 175.800 0.001 0.000 1.118 95 F CA -1.314 56.630 58.000 -0.094 0.000 1.307 95 F CB 0.087 38.959 39.000 -0.213 0.000 0.986 95 F HN 0.007 nan 8.300 nan 0.000 0.522 96 D N 0.279 120.733 120.400 0.090 0.000 2.351 96 D HA -0.130 4.508 4.640 -0.002 0.000 0.216 96 D C 1.468 177.814 176.300 0.077 0.000 0.968 96 D CA 0.953 54.994 54.000 0.069 0.000 0.899 96 D CB 0.204 41.013 40.800 0.014 0.000 0.907 96 D HN 0.317 nan 8.370 nan 0.000 0.514 97 E N -0.672 119.594 120.200 0.110 0.000 2.887 97 E HA 0.017 4.365 4.350 -0.002 0.000 0.206 97 E C 0.684 177.359 176.600 0.126 0.000 0.983 97 E CA -0.446 56.001 56.400 0.077 0.000 1.141 97 E CB 0.095 29.820 29.700 0.042 0.000 1.061 97 E HN 0.057 nan 8.360 nan 0.000 0.468 98 F N 1.116 121.091 119.950 0.041 0.000 2.102 98 F HA -0.018 4.508 4.527 -0.002 0.000 0.298 98 F C 1.613 177.348 175.800 -0.109 0.000 1.105 98 F CA 2.458 60.471 58.000 0.021 0.000 1.239 98 F CB 0.060 39.068 39.000 0.014 0.000 0.991 98 F HN 0.238 nan 8.300 nan 0.000 0.474 99 G N -0.156 108.499 108.800 -0.242 0.000 2.130 99 G HA2 -0.245 3.713 3.960 -0.002 0.000 0.216 99 G HA3 -0.245 3.713 3.960 -0.002 0.000 0.216 99 G C -0.315 174.116 174.900 -0.782 0.000 0.999 99 G CA 0.138 44.952 45.100 -0.477 0.000 0.686 99 G HN 0.722 nan 8.290 nan 0.000 0.515 100 H N -0.934 117.959 119.070 -0.295 0.000 3.038 100 H HA 0.567 5.122 4.556 -0.002 0.000 0.362 100 H C -0.116 175.259 175.328 0.077 0.000 1.167 100 H CA -0.055 55.861 56.048 -0.219 0.000 1.197 100 H CB 1.608 30.964 29.762 -0.675 0.000 1.840 100 H HN 0.251 nan 8.280 nan 0.000 0.540 101 S N 2.381 118.194 115.700 0.189 0.000 2.515 101 S HA 0.111 4.579 4.470 -0.002 0.000 0.285 101 S C -0.146 174.544 174.600 0.150 0.000 1.265 101 S CA -0.501 57.783 58.200 0.140 0.000 1.079 101 S CB -0.543 62.717 63.200 0.099 0.000 0.877 101 S HN 0.357 nan 8.310 nan 0.000 0.493 102 I N 6.195 126.806 120.570 0.068 0.000 2.396 102 I HA 0.258 4.427 4.170 -0.002 0.000 0.289 102 I C 1.565 177.661 176.117 -0.036 0.000 1.056 102 I CA 0.028 61.312 61.300 -0.026 0.000 1.365 102 I CB 0.607 38.514 38.000 -0.156 0.000 1.407 102 I HN 0.744 nan 8.210 nan 0.000 0.509 103 N N 3.710 122.378 118.700 -0.053 0.000 2.439 103 N HA -0.010 4.729 4.740 -0.002 0.000 0.176 103 N C -0.278 175.149 175.510 -0.138 0.000 1.029 103 N CA 0.573 53.553 53.050 -0.117 0.000 0.886 103 N CB 0.633 39.022 38.487 -0.164 0.000 1.057 103 N HN 0.711 nan 8.380 nan 0.000 0.437 104 D N -1.158 119.172 120.400 -0.117 0.000 2.706 104 D HA 0.186 4.825 4.640 -0.002 0.000 0.225 104 D C -1.416 174.851 176.300 -0.055 0.000 1.241 104 D CA -0.497 53.426 54.000 -0.128 0.000 0.784 104 D CB 0.961 41.676 40.800 -0.142 0.000 1.521 104 D HN 0.177 nan 8.370 nan 0.000 0.461 105 Y N -0.116 120.172 120.300 -0.019 0.000 2.675 105 Y HA 0.836 5.384 4.550 -0.002 0.000 0.328 105 Y C -0.649 175.321 175.900 0.117 0.000 1.092 105 Y CA -1.237 56.873 58.100 0.018 0.000 1.190 105 Y CB 1.460 39.922 38.460 0.004 0.000 1.350 105 Y HN 0.184 nan 8.280 nan 0.000 0.525 106 S N 1.412 117.481 115.700 0.615 0.000 2.392 106 S HA 0.424 4.892 4.470 -0.002 0.000 0.246 106 S C -1.417 173.608 174.600 0.707 0.000 0.999 106 S CA -0.679 57.879 58.200 0.597 0.000 1.059 106 S CB -0.608 62.852 63.200 0.434 0.000 1.194 106 S HN 0.729 nan 8.310 nan 0.000 0.421 107 I N 4.021 124.892 120.570 0.502 0.000 2.720 107 I HA 0.283 4.452 4.170 -0.002 0.000 0.287 107 I C 1.223 177.252 176.117 -0.148 0.000 1.090 107 I CA -0.414 61.008 61.300 0.203 0.000 1.384 107 I CB 1.405 39.481 38.000 0.127 0.000 1.420 107 I HN 0.780 nan 8.210 nan 0.000 0.575 108 S N 4.444 119.803 115.700 -0.568 0.000 2.652 108 S HA 0.328 4.796 4.470 -0.002 0.000 0.270 108 S C -1.990 172.380 174.600 -0.383 0.000 1.243 108 S CA -1.154 56.458 58.200 -0.981 0.000 0.999 108 S CB 1.385 63.777 63.200 -1.346 0.000 0.973 108 S HN 0.366 nan 8.310 nan 0.000 0.544 109 P HA -0.155 nan 4.420 nan 0.000 0.213 109 P C 0.935 178.180 177.300 -0.093 0.000 1.170 109 P CA 1.671 64.699 63.100 -0.120 0.000 0.902 109 P CB -0.295 31.355 31.700 -0.083 0.000 0.789 110 D N -1.154 119.203 120.400 -0.072 0.000 2.389 110 D HA -0.076 4.563 4.640 -0.002 0.000 0.221 110 D C 1.380 177.644 176.300 -0.060 0.000 0.974 110 D CA 1.265 55.245 54.000 -0.034 0.000 0.923 110 D CB -1.472 39.350 40.800 0.037 0.000 0.892 110 D HN 0.314 nan 8.370 nan 0.000 0.518 111 G N -0.018 108.724 108.800 -0.097 0.000 2.168 111 G HA2 -0.411 3.548 3.960 -0.002 0.000 0.257 111 G HA3 -0.411 3.548 3.960 -0.002 0.000 0.257 111 G C 0.796 175.702 174.900 0.010 0.000 0.997 111 G CA 0.606 45.688 45.100 -0.030 0.000 0.708 111 G HN 0.510 nan 8.290 nan 0.000 0.520 112 Q N -1.685 118.009 119.800 -0.176 0.000 2.392 112 Q HA 0.437 4.775 4.340 -0.002 0.000 0.203 112 Q C -0.146 175.366 176.000 -0.814 0.000 0.917 112 Q CA 0.501 56.017 55.803 -0.477 0.000 0.939 112 Q CB 0.535 28.883 28.738 -0.649 0.000 1.063 112 Q HN 0.536 nan 8.270 nan 0.000 0.516 113 F N -0.262 119.638 119.950 -0.084 0.000 2.628 113 F HA 0.436 4.961 4.527 -0.002 0.000 0.309 113 F C -0.787 175.064 175.800 0.086 0.000 1.108 113 F CA -1.144 56.864 58.000 0.014 0.000 0.971 113 F CB 1.539 40.534 39.000 -0.009 0.000 1.279 113 F HN -0.194 nan 8.300 nan 0.000 0.441 114 I N 3.747 124.617 120.570 0.499 0.000 2.493 114 I HA 0.530 4.698 4.170 -0.002 0.000 0.298 114 I C -1.552 174.890 176.117 0.543 0.000 0.998 114 I CA -0.883 60.692 61.300 0.458 0.000 1.137 114 I CB 1.646 39.836 38.000 0.317 0.000 1.310 114 I HN 0.576 nan 8.210 nan 0.000 0.445 115 L N 8.031 129.604 121.223 0.584 0.000 2.272 115 L HA 0.493 4.831 4.340 -0.002 0.000 0.289 115 L C -1.294 175.707 176.870 0.219 0.000 1.032 115 L CA -0.750 54.327 54.840 0.395 0.000 0.810 115 L CB 1.144 43.390 42.059 0.311 0.000 1.205 115 L HN 0.562 nan 8.230 nan 0.000 0.422 116 L N 4.757 126.033 121.223 0.089 0.000 2.296 116 L HA 0.472 4.811 4.340 -0.002 0.000 0.286 116 L C -0.106 176.719 176.870 -0.074 0.000 1.023 116 L CA -0.338 54.453 54.840 -0.083 0.000 0.812 116 L CB 1.539 43.340 42.059 -0.431 0.000 1.223 116 L HN 0.523 nan 8.230 nan 0.000 0.421 117 E N 2.820 122.912 120.200 -0.181 0.000 2.146 117 E HA 0.372 4.721 4.350 -0.002 0.000 0.282 117 E C -1.385 175.133 176.600 -0.135 0.000 0.989 117 E CA -0.422 55.714 56.400 -0.441 0.000 0.799 117 E CB 0.953 30.421 29.700 -0.386 0.000 1.088 117 E HN 0.481 nan 8.360 nan 0.000 0.397 118 Y N 1.320 121.439 120.300 -0.302 0.000 2.857 118 Y HA 0.390 4.938 4.550 -0.002 0.000 0.318 118 Y C 0.360 176.188 175.900 -0.120 0.000 1.313 118 Y CA -1.594 56.419 58.100 -0.144 0.000 1.117 118 Y CB 0.117 38.540 38.460 -0.062 0.000 1.344 118 Y HN 0.396 nan 8.280 nan 0.000 0.525 119 N N -1.030 117.715 118.700 0.076 0.000 2.677 119 N HA -0.338 4.401 4.740 -0.002 0.000 0.249 119 N C -0.631 174.875 175.510 -0.006 0.000 1.073 119 N CA 1.186 54.244 53.050 0.014 0.000 0.737 119 N CB -1.922 36.527 38.487 -0.064 0.000 0.999 119 N HN 0.812 nan 8.380 nan 0.000 0.543 120 Y N 0.770 120.993 120.300 -0.129 0.000 2.846 120 Y HA 0.158 4.707 4.550 -0.002 0.000 0.352 120 Y C -0.136 175.708 175.900 -0.094 0.000 1.298 120 Y CA 0.040 58.044 58.100 -0.159 0.000 1.634 120 Y CB 0.392 38.700 38.460 -0.254 0.000 1.214 120 Y HN 0.008 nan 8.280 nan 0.000 0.529 121 V N 8.207 127.826 119.914 -0.492 0.000 2.409 121 V HA 0.239 4.357 4.120 -0.002 0.000 0.291 121 V C -0.408 175.358 176.094 -0.547 0.000 1.020 121 V CA -1.201 60.863 62.300 -0.393 0.000 0.848 121 V CB 1.563 33.290 31.823 -0.160 0.000 0.990 121 V HN 0.717 nan 8.190 nan 0.000 0.430 122 K N 4.496 124.620 120.400 -0.460 0.000 2.276 122 K HA 0.386 4.705 4.320 -0.002 0.000 0.283 122 K C 0.317 176.762 176.600 -0.258 0.000 1.044 122 K CA 0.035 56.123 56.287 -0.331 0.000 0.944 122 K CB 1.431 33.889 32.500 -0.071 0.000 1.012 122 K HN 0.729 nan 8.250 nan 0.000 0.472 123 Q N 3.475 123.083 119.800 -0.320 0.000 2.674 123 Q HA 0.233 4.572 4.340 -0.002 0.000 0.357 123 Q C -0.047 175.714 176.000 -0.398 0.000 1.089 123 Q CA -0.208 55.217 55.803 -0.631 0.000 0.577 123 Q CB -0.011 28.167 28.738 -0.934 0.000 4.433 123 Q HN 0.752 nan 8.270 nan 0.000 0.364 124 W N -0.020 121.246 121.300 -0.057 0.000 1.677 124 W HA 0.314 4.972 4.660 -0.002 0.000 0.641 124 W C 2.043 178.527 176.519 -0.059 0.000 1.432 124 W CA -0.657 56.680 57.345 -0.014 0.000 1.360 124 W CB -0.239 29.170 29.460 -0.084 0.000 3.422 124 W HN 0.267 nan 8.180 nan 0.000 0.773 125 R N -0.605 119.948 120.500 0.088 0.000 2.119 125 R HA -0.091 4.248 4.340 -0.002 0.000 0.222 125 R C 1.630 177.783 176.300 -0.245 0.000 1.088 125 R CA 1.384 57.385 56.100 -0.165 0.000 0.984 125 R CB -0.241 29.818 30.300 -0.401 0.000 0.884 125 R HN 0.492 nan 8.270 nan 0.000 0.447 126 H N -1.647 117.488 119.070 0.108 0.000 3.091 126 H HA 0.166 4.721 4.556 -0.002 0.000 0.249 126 H C 0.864 176.253 175.328 0.102 0.000 0.985 126 H CA 0.359 56.484 56.048 0.128 0.000 1.177 126 H CB 0.211 30.029 29.762 0.094 0.000 1.456 126 H HN 0.098 nan 8.280 nan 0.000 0.467 127 S N 1.050 116.714 115.700 -0.061 0.000 2.634 127 S HA 0.450 4.918 4.470 -0.002 0.000 0.261 127 S C -0.258 174.175 174.600 -0.279 0.000 1.271 127 S CA -0.411 57.451 58.200 -0.564 0.000 0.985 127 S CB 0.998 63.159 63.200 -1.731 0.000 0.968 127 S HN 0.448 nan 8.310 nan 0.000 0.568 128 Y N -3.260 116.824 120.300 -0.360 0.000 2.810 128 Y HA 0.555 5.103 4.550 -0.002 0.000 0.355 128 Y C -0.613 175.237 175.900 -0.083 0.000 1.211 128 Y CA -0.948 56.977 58.100 -0.291 0.000 1.112 128 Y CB 0.193 38.419 38.460 -0.390 0.000 1.383 128 Y HN 0.900 nan 8.280 nan 0.000 0.458 129 T N -0.179 114.421 114.554 0.077 0.000 2.944 129 T HA 0.974 5.322 4.350 -0.002 0.000 0.284 129 T C -0.312 174.515 174.700 0.212 0.000 1.010 129 T CA -0.061 62.131 62.100 0.154 0.000 1.025 129 T CB 1.635 70.546 68.868 0.072 0.000 1.079 129 T HN 1.750 nan 8.240 nan 0.000 0.516 130 A N 0.974 123.935 122.820 0.236 0.000 2.594 130 A HA 0.707 5.026 4.320 -0.002 0.000 0.295 130 A C -0.404 177.156 177.584 -0.040 0.000 1.071 130 A CA -0.971 51.100 52.037 0.057 0.000 0.685 130 A CB 1.428 20.468 19.000 0.067 0.000 1.285 130 A HN 0.835 nan 8.150 nan 0.000 0.405 131 S N 0.042 115.480 115.700 -0.436 0.000 2.565 131 S HA 0.759 5.227 4.470 -0.002 0.000 0.290 131 S C -1.088 172.976 174.600 -0.894 0.000 1.150 131 S CA -0.095 57.754 58.200 -0.585 0.000 1.058 131 S CB 0.580 63.258 63.200 -0.870 0.000 1.032 131 S HN 0.490 nan 8.310 nan 0.000 0.510 132 Y N 0.016 120.009 120.300 -0.511 0.000 2.602 132 Y HA 0.562 5.110 4.550 -0.002 0.000 0.342 132 Y C 0.114 176.028 175.900 0.023 0.000 1.029 132 Y CA -0.909 57.048 58.100 -0.239 0.000 1.080 132 Y CB 1.762 40.071 38.460 -0.251 0.000 1.284 132 Y HN 0.505 nan 8.280 nan 0.000 0.485 133 D N 1.162 121.749 120.400 0.312 0.000 2.756 133 D HA 0.485 5.124 4.640 -0.002 0.000 0.226 133 D C -1.272 175.161 176.300 0.223 0.000 1.186 133 D CA -0.318 53.860 54.000 0.297 0.000 0.845 133 D CB 2.672 43.764 40.800 0.487 0.000 1.610 133 D HN 0.376 nan 8.370 nan 0.000 0.465 134 I N 1.701 122.388 120.570 0.196 0.000 2.441 134 I HA 0.354 4.523 4.170 -0.002 0.000 0.295 134 I C -0.928 175.391 176.117 0.337 0.000 0.994 134 I CA -0.951 60.494 61.300 0.242 0.000 1.144 134 I CB 1.780 39.852 38.000 0.120 0.000 1.314 134 I HN 0.285 nan 8.210 nan 0.000 0.445 135 Y N 4.653 125.129 120.300 0.292 0.000 2.361 135 Y HA 0.344 4.892 4.550 -0.002 0.000 0.337 135 Y C -0.782 175.339 175.900 0.369 0.000 0.965 135 Y CA -0.818 57.465 58.100 0.305 0.000 1.091 135 Y CB 1.515 40.168 38.460 0.321 0.000 1.182 135 Y HN 0.519 nan 8.280 nan 0.000 0.450 136 D N 5.782 126.118 120.400 -0.106 0.000 2.316 136 D HA 0.157 4.796 4.640 -0.002 0.000 0.245 136 D C 0.171 176.266 176.300 -0.343 0.000 1.171 136 D CA -0.112 53.841 54.000 -0.077 0.000 0.856 136 D CB 1.196 41.995 40.800 -0.002 0.000 1.090 136 D HN 0.716 nan 8.370 nan 0.000 0.476 137 L N 2.439 123.566 121.223 -0.159 0.000 2.585 137 L HA 0.310 4.649 4.340 -0.002 0.000 0.226 137 L C 1.498 178.255 176.870 -0.189 0.000 1.113 137 L CA -0.225 54.574 54.840 -0.069 0.000 0.876 137 L CB -0.503 41.543 42.059 -0.021 0.000 1.072 137 L HN 0.109 nan 8.230 nan 0.000 0.468 138 N N 1.632 120.174 118.700 -0.263 0.000 2.158 138 N HA -0.003 4.736 4.740 -0.002 0.000 0.190 138 N C 0.345 175.749 175.510 -0.177 0.000 1.060 138 N CA 0.706 53.626 53.050 -0.216 0.000 0.872 138 N CB -0.269 38.073 38.487 -0.243 0.000 1.055 138 N HN 0.326 nan 8.380 nan 0.000 0.452 139 K N 1.243 121.539 120.400 -0.173 0.000 2.527 139 K HA -0.000 4.318 4.320 -0.002 0.000 0.278 139 K C 0.297 176.773 176.600 -0.207 0.000 0.981 139 K CA 0.409 56.608 56.287 -0.147 0.000 1.009 139 K CB 0.621 33.053 32.500 -0.114 0.000 0.895 139 K HN 0.111 nan 8.250 nan 0.000 0.493 140 R N 2.442 122.835 120.500 -0.177 0.000 3.534 140 R HA -0.009 4.329 4.340 -0.002 0.000 0.312 140 R C -0.390 175.752 176.300 -0.264 0.000 1.419 140 R CA -0.084 55.903 56.100 -0.189 0.000 1.262 140 R CB 0.066 30.320 30.300 -0.076 0.000 1.437 140 R HN 0.539 nan 8.270 nan 0.000 0.627 141 Q N 0.180 119.692 119.800 -0.480 0.000 2.534 141 Q HA 0.168 4.506 4.340 -0.002 0.000 0.290 141 Q C -1.421 174.339 176.000 -0.401 0.000 0.991 141 Q CA -0.910 54.680 55.803 -0.355 0.000 0.783 141 Q CB 0.806 29.483 28.738 -0.101 0.000 1.470 141 Q HN -0.009 nan 8.270 nan 0.000 0.406 142 L N 1.028 122.241 121.223 -0.015 0.000 2.467 142 L HA 0.341 4.680 4.340 -0.002 0.000 0.270 142 L C 0.587 177.511 176.870 0.090 0.000 1.205 142 L CA 0.061 55.006 54.840 0.175 0.000 0.828 142 L CB -0.507 41.752 42.059 0.333 0.000 1.101 142 L HN 0.619 nan 8.230 nan 0.000 0.479 143 I N 0.392 121.035 120.570 0.122 0.000 2.428 143 I HA 0.303 4.471 4.170 -0.002 0.000 0.296 143 I C 0.943 177.094 176.117 0.057 0.000 0.985 143 I CA 0.509 61.851 61.300 0.070 0.000 1.260 143 I CB 1.555 39.589 38.000 0.056 0.000 1.389 143 I HN 0.906 nan 8.210 nan 0.000 0.484 144 T N 0.263 114.832 114.554 0.025 0.000 2.969 144 T HA 0.272 4.621 4.350 -0.002 0.000 0.258 144 T C 0.427 175.120 174.700 -0.011 0.000 0.962 144 T CA -0.256 61.851 62.100 0.013 0.000 0.903 144 T CB -0.131 68.746 68.868 0.014 0.000 1.177 144 T HN 0.439 nan 8.240 nan 0.000 0.511 145 E N 3.180 123.371 120.200 -0.016 0.000 1.865 145 E HA 0.188 4.537 4.350 -0.002 0.000 0.269 145 E C -0.541 176.028 176.600 -0.052 0.000 1.177 145 E CA -0.154 56.228 56.400 -0.030 0.000 0.932 145 E CB -0.007 29.680 29.700 -0.022 0.000 1.066 145 E HN 0.357 nan 8.360 nan 0.000 0.405 146 E N 1.108 121.267 120.200 -0.070 0.000 2.399 146 E HA -0.169 4.180 4.350 -0.002 0.000 0.273 146 E C -0.649 175.868 176.600 -0.138 0.000 1.059 146 E CA 0.139 56.476 56.400 -0.105 0.000 0.789 146 E CB -1.577 28.066 29.700 -0.094 0.000 1.327 146 E HN 0.531 nan 8.360 nan 0.000 0.398 147 R N 0.460 120.884 120.500 -0.127 0.000 2.756 147 R HA 0.255 4.593 4.340 -0.002 0.000 0.264 147 R C 1.357 177.500 176.300 -0.262 0.000 1.026 147 R CA -0.157 55.858 56.100 -0.141 0.000 1.121 147 R CB 0.454 30.708 30.300 -0.076 0.000 0.999 147 R HN 0.147 nan 8.270 nan 0.000 0.449 148 I N 2.689 123.061 120.570 -0.330 0.000 2.880 148 I HA -0.047 4.122 4.170 -0.002 0.000 0.296 148 I C -1.722 174.112 176.117 -0.470 0.000 1.220 148 I CA -1.170 59.786 61.300 -0.574 0.000 1.435 148 I CB -0.018 37.601 38.000 -0.636 0.000 1.339 148 I HN 0.337 nan 8.210 nan 0.000 0.583 149 P HA 0.133 nan 4.420 nan 0.000 0.275 149 P C -0.587 176.524 177.300 -0.314 0.000 1.228 149 P CA -0.436 62.306 63.100 -0.597 0.000 0.786 149 P CB 0.412 31.346 31.700 -1.277 0.000 0.927 150 N N 2.281 120.889 118.700 -0.153 0.000 2.297 150 N HA -0.021 4.718 4.740 -0.002 0.000 0.232 150 N C 0.294 175.894 175.510 0.149 0.000 1.311 150 N CA 0.345 53.380 53.050 -0.026 0.000 0.897 150 N CB -0.278 38.201 38.487 -0.013 0.000 1.137 150 N HN 0.433 nan 8.380 nan 0.000 0.449 151 N N -0.791 117.981 118.700 0.120 0.000 2.705 151 N HA -0.168 4.570 4.740 -0.002 0.000 0.255 151 N C -0.742 174.934 175.510 0.278 0.000 1.008 151 N CA 0.813 53.961 53.050 0.162 0.000 0.742 151 N CB -1.538 37.030 38.487 0.134 0.000 0.906 151 N HN 0.444 nan 8.380 nan 0.000 0.541 152 T N 0.346 115.043 114.554 0.238 0.000 2.882 152 T HA 0.242 4.591 4.350 -0.002 0.000 0.287 152 T C 1.581 176.401 174.700 0.199 0.000 0.992 152 T CA -0.186 62.051 62.100 0.227 0.000 1.076 152 T CB 1.498 70.366 68.868 -0.001 0.000 0.961 152 T HN 0.201 nan 8.240 nan 0.000 0.490 153 Q N 1.755 121.673 119.800 0.197 0.000 2.324 153 Q HA 0.211 4.549 4.340 -0.002 0.000 0.207 153 Q C 0.006 176.177 176.000 0.286 0.000 0.928 153 Q CA 0.345 56.302 55.803 0.258 0.000 0.890 153 Q CB 0.921 29.804 28.738 0.243 0.000 1.001 153 Q HN 0.657 nan 8.270 nan 0.000 0.517 154 W N 0.733 121.985 121.300 -0.079 0.000 3.256 154 W HA 0.521 5.179 4.660 -0.002 0.000 0.324 154 W C -1.983 174.442 176.519 -0.156 0.000 1.196 154 W CA -0.827 56.436 57.345 -0.137 0.000 1.206 154 W CB 1.601 30.936 29.460 -0.209 0.000 1.385 154 W HN -0.284 nan 8.180 nan 0.000 0.522 155 V N 2.510 121.694 119.914 -1.216 0.000 2.760 155 V HA 0.766 4.884 4.120 -0.002 0.000 0.309 155 V C -0.587 174.867 176.094 -1.066 0.000 1.077 155 V CA -0.725 60.989 62.300 -0.976 0.000 0.910 155 V CB 1.228 32.416 31.823 -1.057 0.000 1.008 155 V HN 0.528 nan 8.190 nan 0.000 0.424 156 T N 2.532 116.777 114.554 -0.515 0.000 2.982 156 T HA 0.538 4.887 4.350 -0.002 0.000 0.321 156 T C -1.504 173.164 174.700 -0.053 0.000 1.229 156 T CA -0.363 61.603 62.100 -0.224 0.000 1.044 156 T CB 1.020 69.993 68.868 0.176 0.000 1.184 156 T HN 0.633 nan 8.240 nan 0.000 0.477 157 W N 3.278 124.590 121.300 0.021 0.000 2.170 157 W HA 0.421 5.079 4.660 -0.002 0.000 0.336 157 W C 1.338 177.615 176.519 -0.403 0.000 1.283 157 W CA -0.648 56.640 57.345 -0.095 0.000 1.224 157 W CB 0.515 29.945 29.460 -0.050 0.000 1.132 157 W HN 0.780 nan 8.180 nan 0.000 0.571 158 S N 2.184 117.549 115.700 -0.558 0.000 2.576 158 S HA 0.097 4.565 4.470 -0.002 0.000 0.272 158 S C -1.540 172.757 174.600 -0.505 0.000 1.352 158 S CA -0.917 56.486 58.200 -1.327 0.000 1.021 158 S CB 0.892 63.378 63.200 -1.190 0.000 0.887 158 S HN 0.389 nan 8.310 nan 0.000 0.542 159 P HA 0.289 nan 4.420 nan 0.000 0.249 159 P C -0.195 177.052 177.300 -0.088 0.000 1.229 159 P CA 0.135 63.174 63.100 -0.102 0.000 0.788 159 P CB 0.118 31.816 31.700 -0.003 0.000 1.072 160 V N -1.580 118.241 119.914 -0.156 0.000 3.159 160 V HA 0.642 4.761 4.120 -0.002 0.000 0.308 160 V C 0.953 176.963 176.094 -0.140 0.000 1.190 160 V CA 0.080 62.315 62.300 -0.110 0.000 1.037 160 V CB 1.246 33.018 31.823 -0.085 0.000 1.060 160 V HN 0.362 nan 8.190 nan 0.000 0.437 161 G N 1.970 110.716 108.800 -0.091 0.000 2.627 161 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.312 161 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.312 161 G C 0.235 175.102 174.900 -0.055 0.000 1.299 161 G CA 0.907 45.953 45.100 -0.089 0.000 0.989 161 G HN 1.852 nan 8.290 nan 0.000 0.547 162 H N -0.309 118.759 119.070 -0.002 0.000 2.767 162 H HA 0.435 4.990 4.556 -0.002 0.000 0.235 162 H C 0.350 175.788 175.328 0.185 0.000 1.256 162 H CA -0.179 55.907 56.048 0.063 0.000 0.957 162 H CB -0.246 29.627 29.762 0.183 0.000 2.117 162 H HN 0.510 nan 8.280 nan 0.000 0.602 163 K N 1.358 121.755 120.400 -0.004 0.000 2.180 163 K HA 0.460 4.779 4.320 -0.002 0.000 0.251 163 K C -0.289 176.417 176.600 0.177 0.000 1.014 163 K CA -0.430 55.874 56.287 0.029 0.000 0.913 163 K CB 1.534 33.933 32.500 -0.168 0.000 1.008 163 K HN 0.147 nan 8.250 nan 0.000 0.490 164 L N 0.585 121.930 121.223 0.204 0.000 2.401 164 L HA 0.577 4.916 4.340 -0.002 0.000 0.266 164 L C -1.050 176.022 176.870 0.336 0.000 0.991 164 L CA -0.721 54.230 54.840 0.185 0.000 0.818 164 L CB 2.146 44.239 42.059 0.056 0.000 1.321 164 L HN 0.773 nan 8.230 nan 0.000 0.413 165 A N 2.588 125.615 122.820 0.345 0.000 2.498 165 A HA 0.933 5.252 4.320 -0.002 0.000 0.298 165 A C -1.784 175.885 177.584 0.141 0.000 1.075 165 A CA -0.393 51.768 52.037 0.207 0.000 0.714 165 A CB 1.855 20.955 19.000 0.166 0.000 1.299 165 A HN 0.726 nan 8.150 nan 0.000 0.407 166 Y N -2.226 118.041 120.300 -0.056 0.000 2.774 166 Y HA 0.657 5.206 4.550 -0.002 0.000 0.346 166 Y C -1.834 174.068 175.900 0.003 0.000 1.222 166 Y CA -1.366 56.668 58.100 -0.111 0.000 1.088 166 Y CB 0.673 38.986 38.460 -0.246 0.000 1.354 166 Y HN 0.616 nan 8.280 nan 0.000 0.455 167 V N 1.777 121.817 119.914 0.211 0.000 2.577 167 V HA 0.396 4.515 4.120 -0.002 0.000 0.303 167 V C -1.767 174.514 176.094 0.310 0.000 1.042 167 V CA -0.594 61.794 62.300 0.146 0.000 0.872 167 V CB 1.751 33.574 31.823 0.001 0.000 0.998 167 V HN 0.853 nan 8.190 nan 0.000 0.423 168 W N 6.255 127.631 121.300 0.128 0.000 2.687 168 W HA 0.545 5.203 4.660 -0.002 0.000 0.328 168 W C 0.101 176.658 176.519 0.063 0.000 1.012 168 W CA -0.700 56.702 57.345 0.094 0.000 1.262 168 W CB 1.135 30.637 29.460 0.070 0.000 1.331 168 W HN 0.779 nan 8.180 nan 0.000 0.433 169 N N 4.721 123.178 118.700 -0.404 0.000 2.780 169 N HA -0.296 4.443 4.740 -0.002 0.000 0.247 169 N C -0.321 175.046 175.510 -0.237 0.000 1.076 169 N CA 0.944 53.734 53.050 -0.434 0.000 0.688 169 N CB -1.635 36.435 38.487 -0.694 0.000 0.957 169 N HN 0.624 nan 8.380 nan 0.000 0.551 170 N N -1.825 116.774 118.700 -0.168 0.000 2.725 170 N HA -0.182 4.557 4.740 -0.002 0.000 0.249 170 N C -1.469 173.941 175.510 -0.168 0.000 1.103 170 N CA 1.648 54.598 53.050 -0.167 0.000 0.707 170 N CB -0.659 37.675 38.487 -0.255 0.000 1.043 170 N HN 0.655 nan 8.380 nan 0.000 0.553 171 D N -0.097 120.217 120.400 -0.143 0.000 2.619 171 D HA 0.439 5.078 4.640 -0.002 0.000 0.241 171 D C 0.347 176.438 176.300 -0.349 0.000 1.087 171 D CA -0.488 53.344 54.000 -0.280 0.000 0.851 171 D CB 1.614 42.221 40.800 -0.321 0.000 1.474 171 D HN -0.013 nan 8.370 nan 0.000 0.478 172 I N 2.006 122.224 120.570 -0.587 0.000 2.365 172 I HA 0.219 4.388 4.170 -0.002 0.000 0.291 172 I C -0.748 174.897 176.117 -0.787 0.000 1.004 172 I CA -0.424 60.521 61.300 -0.592 0.000 1.311 172 I CB 0.473 38.051 38.000 -0.704 0.000 1.401 172 I HN 0.155 nan 8.210 nan 0.000 0.491 173 Y N 4.653 124.559 120.300 -0.656 0.000 2.391 173 Y HA 0.538 5.087 4.550 -0.002 0.000 0.341 173 Y C -0.010 175.561 175.900 -0.549 0.000 0.965 173 Y CA -0.887 56.799 58.100 -0.690 0.000 1.067 173 Y CB 1.803 39.588 38.460 -1.125 0.000 1.199 173 Y HN 0.190 nan 8.280 nan 0.000 0.450 174 V N 2.261 122.122 119.914 -0.088 0.000 3.096 174 V HA 0.526 4.645 4.120 -0.002 0.000 0.319 174 V C -0.331 175.888 176.094 0.208 0.000 1.082 174 V CA -1.282 61.065 62.300 0.077 0.000 1.022 174 V CB 1.850 33.727 31.823 0.091 0.000 1.103 174 V HN 0.711 nan 8.190 nan 0.000 0.455 175 K N 1.472 122.019 120.400 0.245 0.000 3.088 175 K HA 0.301 4.620 4.320 -0.002 0.000 0.193 175 K C 0.449 177.176 176.600 0.213 0.000 1.176 175 K CA -0.436 55.996 56.287 0.242 0.000 0.907 175 K CB 0.354 32.978 32.500 0.207 0.000 1.139 175 K HN 0.482 nan 8.250 nan 0.000 0.597 176 I N 0.888 121.596 120.570 0.230 0.000 2.151 176 I HA -0.332 3.837 4.170 -0.002 0.000 0.236 176 I C 0.723 176.938 176.117 0.165 0.000 1.000 176 I CA 1.852 63.249 61.300 0.161 0.000 1.285 176 I CB -0.519 37.581 38.000 0.168 0.000 0.994 176 I HN 0.571 nan 8.210 nan 0.000 0.396 177 E N 0.445 120.753 120.200 0.180 0.000 2.204 177 E HA 0.212 4.560 4.350 -0.002 0.000 0.276 177 E C -1.775 174.862 176.600 0.062 0.000 0.974 177 E CA -1.884 54.622 56.400 0.176 0.000 0.815 177 E CB 1.036 30.834 29.700 0.163 0.000 1.119 177 E HN 0.069 nan 8.360 nan 0.000 0.393 178 P HA -0.151 nan 4.420 nan 0.000 0.221 178 P C 0.761 177.981 177.300 -0.134 0.000 1.145 178 P CA 1.316 64.296 63.100 -0.200 0.000 0.795 178 P CB 0.250 31.550 31.700 -0.668 0.000 0.775 179 N N -1.679 116.972 118.700 -0.081 0.000 2.171 179 N HA 0.041 4.780 4.740 -0.002 0.000 0.212 179 N C 0.043 175.544 175.510 -0.016 0.000 1.184 179 N CA 0.065 53.090 53.050 -0.042 0.000 0.888 179 N CB -0.253 38.224 38.487 -0.017 0.000 1.038 179 N HN 0.087 nan 8.380 nan 0.000 0.517 180 L N 0.562 121.787 121.223 0.002 0.000 2.431 180 L HA 0.567 4.905 4.340 -0.002 0.000 0.260 180 L C -2.189 174.664 176.870 -0.028 0.000 1.098 180 L CA -2.122 52.718 54.840 0.000 0.000 0.800 180 L CB 0.488 42.569 42.059 0.037 0.000 1.210 180 L HN -0.181 nan 8.230 nan 0.000 0.465 181 P HA 0.041 nan 4.420 nan 0.000 0.271 181 P C -0.575 176.641 177.300 -0.139 0.000 1.220 181 P CA -0.280 62.748 63.100 -0.120 0.000 0.768 181 P CB 0.705 32.307 31.700 -0.164 0.000 0.848 182 S N 2.969 118.636 115.700 -0.054 0.000 2.585 182 S HA 0.283 4.751 4.470 -0.002 0.000 0.273 182 S C -0.515 174.089 174.600 0.007 0.000 1.339 182 S CA -0.167 58.071 58.200 0.063 0.000 1.028 182 S CB -0.003 63.284 63.200 0.145 0.000 0.906 182 S HN 0.250 nan 8.310 nan 0.000 0.528 183 Y N 0.257 120.589 120.300 0.052 0.000 2.419 183 Y HA 0.533 5.081 4.550 -0.002 0.000 0.328 183 Y C 0.844 176.710 175.900 -0.056 0.000 1.162 183 Y CA -1.000 57.113 58.100 0.022 0.000 1.174 183 Y CB 1.154 39.622 38.460 0.014 0.000 1.228 183 Y HN 0.669 nan 8.280 nan 0.000 0.473 184 R N 2.571 123.069 120.500 -0.003 0.000 2.255 184 R HA 0.356 4.694 4.340 -0.002 0.000 0.326 184 R C -0.339 175.718 176.300 -0.405 0.000 0.986 184 R CA -0.275 55.543 56.100 -0.470 0.000 0.847 184 R CB 0.433 30.300 30.300 -0.721 0.000 1.111 184 R HN 0.710 nan 8.270 nan 0.000 0.452 185 I N 1.946 122.195 120.570 -0.536 0.000 3.081 185 I HA 0.006 4.175 4.170 -0.002 0.000 0.274 185 I C 1.159 177.089 176.117 -0.311 0.000 1.178 185 I CA 0.933 62.036 61.300 -0.329 0.000 1.460 185 I CB -0.361 37.418 38.000 -0.369 0.000 1.137 185 I HN 0.629 nan 8.210 nan 0.000 0.443 186 T N -3.910 110.333 114.554 -0.518 0.000 2.903 186 T HA 0.404 4.753 4.350 -0.002 0.000 0.299 186 T C -0.958 173.480 174.700 -0.436 0.000 1.093 186 T CA -0.502 61.398 62.100 -0.333 0.000 1.002 186 T CB 1.748 70.391 68.868 -0.373 0.000 1.127 186 T HN 0.126 nan 8.240 nan 0.000 0.488 187 W N 0.360 121.546 121.300 -0.190 0.000 2.499 187 W HA 0.246 4.905 4.660 -0.002 0.000 0.362 187 W C 1.944 178.400 176.519 -0.105 0.000 0.945 187 W CA 0.001 57.266 57.345 -0.133 0.000 1.721 187 W CB 0.035 29.443 29.460 -0.088 0.000 1.156 187 W HN 0.935 nan 8.180 nan 0.000 0.547 188 T N -2.456 112.141 114.554 0.071 0.000 3.067 188 T HA 0.185 4.533 4.350 -0.002 0.000 0.261 188 T C 1.439 176.131 174.700 -0.013 0.000 1.110 188 T CA 0.454 62.576 62.100 0.036 0.000 1.113 188 T CB -0.399 68.484 68.868 0.025 0.000 0.917 188 T HN 0.048 nan 8.240 nan 0.000 0.499 189 G N 1.329 110.090 108.800 -0.065 0.000 2.238 189 G HA2 0.239 4.198 3.960 -0.002 0.000 0.234 189 G HA3 0.239 4.198 3.960 -0.002 0.000 0.234 189 G C -0.454 174.379 174.900 -0.113 0.000 1.181 189 G CA -0.255 44.774 45.100 -0.117 0.000 0.871 189 G HN 0.664 nan 8.290 nan 0.000 0.490 190 K N 1.829 122.132 120.400 -0.162 0.000 2.636 190 K HA 0.117 4.436 4.320 -0.002 0.000 0.286 190 K C -0.025 176.451 176.600 -0.206 0.000 1.100 190 K CA -0.617 55.582 56.287 -0.148 0.000 0.991 190 K CB 0.804 33.254 32.500 -0.083 0.000 1.323 190 K HN 0.733 nan 8.250 nan 0.000 0.478 191 E N 4.110 124.191 120.200 -0.198 0.000 2.900 191 E HA -0.212 4.137 4.350 -0.002 0.000 0.259 191 E C -0.613 175.892 176.600 -0.158 0.000 0.918 191 E CA 1.320 57.604 56.400 -0.195 0.000 0.960 191 E CB 0.227 29.849 29.700 -0.131 0.000 0.908 191 E HN 0.714 nan 8.360 nan 0.000 0.511 192 D N 2.391 122.684 120.400 -0.180 0.000 3.076 192 D HA -0.226 4.413 4.640 -0.002 0.000 0.218 192 D C 0.278 176.615 176.300 0.062 0.000 1.156 192 D CA 1.429 55.444 54.000 0.025 0.000 0.921 192 D CB -0.836 40.005 40.800 0.068 0.000 1.113 192 D HN 0.560 nan 8.370 nan 0.000 0.418 193 I N -1.291 119.230 120.570 -0.082 0.000 4.147 193 I HA 0.090 4.258 4.170 -0.002 0.000 0.278 193 I C -0.018 176.142 176.117 0.072 0.000 1.133 193 I CA 0.092 61.420 61.300 0.046 0.000 1.317 193 I CB 0.709 38.712 38.000 0.007 0.000 1.688 193 I HN -0.155 nan 8.210 nan 0.000 0.432 194 I N 0.623 121.134 120.570 -0.100 0.000 2.530 194 I HA 0.358 4.526 4.170 -0.002 0.000 0.297 194 I C -1.457 174.548 176.117 -0.186 0.000 1.011 194 I CA -1.143 60.158 61.300 0.003 0.000 1.107 194 I CB 1.261 39.266 38.000 0.009 0.000 1.285 194 I HN -0.010 nan 8.210 nan 0.000 0.436 195 Y N 4.400 124.762 120.300 0.103 0.000 2.329 195 Y HA 0.435 4.984 4.550 -0.002 0.000 0.328 195 Y C 0.041 175.982 175.900 0.069 0.000 0.992 195 Y CA -0.753 57.400 58.100 0.089 0.000 1.151 195 Y CB 1.584 40.143 38.460 0.166 0.000 1.150 195 Y HN 0.389 nan 8.280 nan 0.000 0.450 196 N N 2.295 121.023 118.700 0.046 0.000 2.479 196 N HA 0.360 5.099 4.740 -0.002 0.000 0.261 196 N C 0.541 175.924 175.510 -0.212 0.000 0.979 196 N CA 0.233 53.219 53.050 -0.107 0.000 0.930 196 N CB 1.931 40.253 38.487 -0.276 0.000 1.172 196 N HN 0.992 nan 8.380 nan 0.000 0.499 197 G N 1.942 110.632 108.800 -0.182 0.000 2.160 197 G HA2 -0.248 3.710 3.960 -0.002 0.000 0.251 197 G HA3 -0.248 3.710 3.960 -0.002 0.000 0.251 197 G C -0.042 174.694 174.900 -0.273 0.000 1.008 197 G CA 0.710 45.643 45.100 -0.277 0.000 0.724 197 G HN 0.661 nan 8.290 nan 0.000 0.514 198 I N -2.960 117.515 120.570 -0.159 0.000 2.775 198 I HA 0.687 4.856 4.170 -0.002 0.000 0.295 198 I C 0.120 176.161 176.117 -0.126 0.000 1.287 198 I CA -0.758 60.341 61.300 -0.335 0.000 1.029 198 I CB 1.793 39.455 38.000 -0.563 0.000 1.282 198 I HN 0.207 nan 8.210 nan 0.000 0.426 199 T N -0.070 114.330 114.554 -0.257 0.000 2.869 199 T HA 0.333 4.682 4.350 -0.002 0.000 0.295 199 T C 0.057 174.414 174.700 -0.573 0.000 0.987 199 T CA -0.582 61.230 62.100 -0.480 0.000 1.109 199 T CB 0.933 69.670 68.868 -0.217 0.000 0.932 199 T HN 0.800 nan 8.240 nan 0.000 0.518 200 D N 1.929 121.588 120.400 -1.236 0.000 2.346 200 D HA -0.082 4.557 4.640 -0.002 0.000 0.249 200 D C 0.913 177.062 176.300 -0.251 0.000 1.308 200 D CA -0.886 52.473 54.000 -1.069 0.000 0.987 200 D CB 0.158 40.313 40.800 -1.074 0.000 1.114 200 D HN 0.781 nan 8.370 nan 0.000 0.529 201 W N -0.002 121.191 121.300 -0.179 0.000 2.402 201 W HA -0.125 4.534 4.660 -0.002 0.000 0.286 201 W C 1.979 178.407 176.519 -0.152 0.000 1.221 201 W CA 1.999 59.282 57.345 -0.104 0.000 1.257 201 W CB 0.000 29.355 29.460 -0.175 0.000 1.120 201 W HN 0.246 nan 8.180 nan 0.000 0.551 202 V N -2.344 117.748 119.914 0.296 0.000 2.591 202 V HA -0.213 3.905 4.120 -0.002 0.000 0.249 202 V C 1.580 177.629 176.094 -0.076 0.000 1.053 202 V CA 1.350 63.740 62.300 0.149 0.000 1.068 202 V CB -1.558 30.308 31.823 0.072 0.000 0.689 202 V HN 0.188 nan 8.190 nan 0.000 0.462 203 Y N 0.925 121.139 120.300 -0.144 0.000 2.516 203 Y HA 0.086 4.635 4.550 -0.002 0.000 0.291 203 Y C 2.659 178.554 175.900 -0.009 0.000 1.131 203 Y CA 1.396 59.467 58.100 -0.048 0.000 1.281 203 Y CB 0.042 38.441 38.460 -0.102 0.000 1.013 203 Y HN 0.339 nan 8.280 nan 0.000 0.554 204 E N 0.300 120.494 120.200 -0.009 0.000 2.015 204 E HA -0.249 4.100 4.350 -0.002 0.000 0.191 204 E C 1.967 178.521 176.600 -0.077 0.000 0.991 204 E CA 1.376 57.770 56.400 -0.011 0.000 0.802 204 E CB 0.112 29.753 29.700 -0.098 0.000 0.759 204 E HN 0.390 nan 8.360 nan 0.000 0.447 205 E N 0.393 120.331 120.200 -0.437 0.000 2.016 205 E HA -0.169 4.180 4.350 -0.002 0.000 0.190 205 E C 1.837 178.352 176.600 -0.141 0.000 0.985 205 E CA 1.498 57.650 56.400 -0.413 0.000 0.802 205 E CB 0.036 29.189 29.700 -0.911 0.000 0.762 205 E HN 0.099 nan 8.360 nan 0.000 0.448 206 E N -0.547 119.560 120.200 -0.154 0.000 2.318 206 E HA 0.049 4.398 4.350 -0.002 0.000 0.193 206 E C 1.903 178.414 176.600 -0.147 0.000 0.998 206 E CA 0.544 56.899 56.400 -0.075 0.000 0.859 206 E CB 0.502 30.148 29.700 -0.090 0.000 0.812 206 E HN 0.235 nan 8.360 nan 0.000 0.492 207 V N -0.885 118.919 119.914 -0.182 0.000 2.721 207 V HA 0.066 4.185 4.120 -0.002 0.000 0.236 207 V C 1.349 177.258 176.094 -0.309 0.000 1.116 207 V CA 0.742 62.851 62.300 -0.318 0.000 1.148 207 V CB -0.203 31.350 31.823 -0.450 0.000 0.886 207 V HN 0.034 nan 8.190 nan 0.000 0.490 208 F N 0.164 120.156 119.950 0.070 0.000 2.704 208 F HA 0.360 4.885 4.527 -0.002 0.000 0.304 208 F C 1.362 177.182 175.800 0.033 0.000 1.094 208 F CA 0.033 58.094 58.000 0.101 0.000 1.275 208 F CB 0.081 39.197 39.000 0.194 0.000 1.073 208 F HN -0.009 nan 8.300 nan 0.000 0.586 209 S N 1.490 117.298 115.700 0.179 0.000 3.356 209 S HA 0.098 4.566 4.470 -0.002 0.000 0.376 209 S C -0.142 174.338 174.600 -0.199 0.000 0.924 209 S CA 0.440 58.706 58.200 0.109 0.000 1.316 209 S CB -1.405 61.814 63.200 0.031 0.000 0.922 209 S HN 0.707 nan 8.310 nan 0.000 0.553 210 A N 0.937 123.797 122.820 0.066 0.000 2.601 210 A HA 0.523 4.842 4.320 -0.002 0.000 0.303 210 A C -0.372 177.251 177.584 0.065 0.000 1.004 210 A CA -0.488 51.523 52.037 -0.043 0.000 0.742 210 A CB 0.071 19.023 19.000 -0.079 0.000 1.250 210 A HN 0.467 nan 8.150 nan 0.000 0.406 211 Y N 1.932 122.104 120.300 -0.212 0.000 2.395 211 Y HA 0.151 4.699 4.550 -0.002 0.000 0.293 211 Y C 1.658 177.296 175.900 -0.436 0.000 1.123 211 Y CA 1.318 59.272 58.100 -0.244 0.000 1.227 211 Y CB 0.073 38.393 38.460 -0.233 0.000 1.012 211 Y HN 0.893 nan 8.280 nan 0.000 0.552 212 S N 0.463 115.714 115.700 -0.749 0.000 2.565 212 S HA 0.489 4.958 4.470 -0.002 0.000 0.276 212 S C 0.258 174.398 174.600 -0.767 0.000 1.326 212 S CA -0.038 57.522 58.200 -1.067 0.000 1.045 212 S CB 1.005 63.270 63.200 -1.559 0.000 0.918 212 S HN 0.376 nan 8.310 nan 0.000 0.505 213 A N 5.215 127.570 122.820 -0.776 0.000 2.959 213 A HA 0.518 4.837 4.320 -0.002 0.000 0.280 213 A C -0.447 176.363 177.584 -1.290 0.000 0.953 213 A CA -0.554 50.942 52.037 -0.902 0.000 1.047 213 A CB -0.085 18.772 19.000 -0.239 0.000 1.147 213 A HN 0.756 nan 8.150 nan 0.000 0.489 214 L N 0.479 120.800 121.223 -1.503 0.000 2.365 214 L HA 0.603 4.941 4.340 -0.002 0.000 0.273 214 L C -1.227 174.973 176.870 -1.117 0.000 1.000 214 L CA -0.541 53.713 54.840 -0.976 0.000 0.819 214 L CB 1.953 43.748 42.059 -0.439 0.000 1.284 214 L HN 0.461 nan 8.230 nan 0.000 0.418 215 W N 2.301 123.608 121.300 0.011 0.000 2.802 215 W HA 0.226 4.885 4.660 -0.002 0.000 0.331 215 W C -0.956 175.734 176.519 0.286 0.000 1.021 215 W CA -1.099 56.383 57.345 0.229 0.000 1.259 215 W CB 1.270 30.928 29.460 0.331 0.000 1.323 215 W HN 0.497 nan 8.180 nan 0.000 0.432 216 W N 1.570 123.089 121.300 0.365 0.000 2.126 216 W HA 0.247 4.906 4.660 -0.002 0.000 0.346 216 W C 1.104 177.357 176.519 -0.444 0.000 1.279 216 W CA 0.351 57.753 57.345 0.095 0.000 1.259 216 W CB 0.657 30.149 29.460 0.053 0.000 1.133 216 W HN 0.138 nan 8.180 nan 0.000 0.592 217 S N 2.700 118.199 115.700 -0.335 0.000 2.513 217 S HA 0.216 4.685 4.470 -0.002 0.000 0.276 217 S C -1.476 172.908 174.600 -0.360 0.000 1.254 217 S CA -1.369 56.207 58.200 -1.040 0.000 1.053 217 S CB 1.027 63.817 63.200 -0.682 0.000 0.958 217 S HN 0.165 nan 8.310 nan 0.000 0.491 218 P HA -0.187 nan 4.420 nan 0.000 0.220 218 P C 1.281 178.546 177.300 -0.059 0.000 1.155 218 P CA 1.305 64.361 63.100 -0.074 0.000 0.880 218 P CB -0.005 31.689 31.700 -0.011 0.000 0.790 219 N N -1.586 117.071 118.700 -0.073 0.000 2.060 219 N HA -0.159 4.580 4.740 -0.002 0.000 0.195 219 N C 1.635 177.101 175.510 -0.073 0.000 1.028 219 N CA 2.296 55.314 53.050 -0.055 0.000 0.861 219 N CB -0.814 37.642 38.487 -0.050 0.000 1.029 219 N HN 0.289 nan 8.380 nan 0.000 0.428 220 G N -2.567 106.202 108.800 -0.051 0.000 2.259 220 G HA2 -0.277 3.681 3.960 -0.002 0.000 0.217 220 G HA3 -0.277 3.681 3.960 -0.002 0.000 0.217 220 G C 1.225 176.192 174.900 0.112 0.000 1.001 220 G CA 0.854 45.941 45.100 -0.022 0.000 0.627 220 G HN 0.365 nan 8.290 nan 0.000 0.501 221 T N 0.714 115.236 114.554 -0.053 0.000 2.635 221 T HA 0.090 4.438 4.350 -0.002 0.000 0.267 221 T C 0.889 175.399 174.700 -0.316 0.000 1.040 221 T CA 1.590 63.542 62.100 -0.247 0.000 1.156 221 T CB -0.157 68.450 68.868 -0.435 0.000 0.863 221 T HN 0.298 nan 8.240 nan 0.000 0.430 222 F N 0.025 120.022 119.950 0.079 0.000 2.470 222 F HA 0.587 5.112 4.527 -0.002 0.000 0.329 222 F C 0.022 175.886 175.800 0.106 0.000 1.072 222 F CA -1.393 56.693 58.000 0.143 0.000 0.989 222 F CB 1.061 40.270 39.000 0.348 0.000 1.193 222 F HN -0.061 nan 8.300 nan 0.000 0.481 223 L N 2.620 123.986 121.223 0.239 0.000 2.343 223 L HA 0.751 5.090 4.340 -0.002 0.000 0.278 223 L C -0.909 176.019 176.870 0.096 0.000 0.996 223 L CA -0.525 54.252 54.840 -0.104 0.000 0.831 223 L CB 1.047 42.869 42.059 -0.394 0.000 1.232 223 L HN 0.792 nan 8.230 nan 0.000 0.413 224 A N 4.868 127.810 122.820 0.203 0.000 2.325 224 A HA 0.821 5.140 4.320 -0.002 0.000 0.333 224 A C -1.485 176.146 177.584 0.078 0.000 1.155 224 A CA -0.331 51.728 52.037 0.037 0.000 0.814 224 A CB 1.255 20.362 19.000 0.179 0.000 1.206 224 A HN 0.725 nan 8.150 nan 0.000 0.482 225 Y N -1.765 118.269 120.300 -0.443 0.000 2.662 225 Y HA 0.706 5.255 4.550 -0.002 0.000 0.334 225 Y C -0.586 175.071 175.900 -0.406 0.000 1.185 225 Y CA -0.852 57.072 58.100 -0.293 0.000 1.074 225 Y CB 0.471 38.757 38.460 -0.290 0.000 1.330 225 Y HN 1.130 nan 8.280 nan 0.000 0.458 226 A N 2.381 125.292 122.820 0.152 0.000 2.322 226 A HA 0.803 5.121 4.320 -0.002 0.000 0.327 226 A C -1.318 176.290 177.584 0.041 0.000 1.134 226 A CA -0.831 51.205 52.037 -0.001 0.000 0.831 226 A CB 1.998 20.891 19.000 -0.179 0.000 1.288 226 A HN 0.871 nan 8.150 nan 0.000 0.472 227 Q N 0.887 120.634 119.800 -0.088 0.000 2.263 227 Q HA 0.584 4.923 4.340 -0.002 0.000 0.266 227 Q C -2.083 173.837 176.000 -0.134 0.000 1.002 227 Q CA -0.326 55.515 55.803 0.063 0.000 0.790 227 Q CB 1.218 30.140 28.738 0.307 0.000 1.272 227 Q HN 0.652 nan 8.270 nan 0.000 0.435 228 F N 1.703 121.716 119.950 0.106 0.000 2.480 228 F HA 0.483 5.009 4.527 -0.002 0.000 0.329 228 F C 0.492 176.400 175.800 0.181 0.000 1.091 228 F CA -1.254 56.782 58.000 0.059 0.000 0.972 228 F CB 1.156 40.071 39.000 -0.142 0.000 1.150 228 F HN 0.396 nan 8.300 nan 0.000 0.467 229 N N 1.611 120.515 118.700 0.339 0.000 2.457 229 N HA 0.170 4.909 4.740 -0.002 0.000 0.250 229 N C -0.796 174.866 175.510 0.253 0.000 0.982 229 N CA -0.237 52.974 53.050 0.269 0.000 0.941 229 N CB 0.901 39.496 38.487 0.181 0.000 1.120 229 N HN 0.577 nan 8.380 nan 0.000 0.505 230 D N 1.708 122.280 120.400 0.285 0.000 2.427 230 D HA 0.118 4.756 4.640 -0.002 0.000 0.224 230 D C 1.222 177.623 176.300 0.168 0.000 1.157 230 D CA 0.112 54.255 54.000 0.237 0.000 0.828 230 D CB 0.453 41.448 40.800 0.326 0.000 0.974 230 D HN 0.442 nan 8.370 nan 0.000 0.498 231 T N 0.238 114.873 114.554 0.136 0.000 2.607 231 T HA -0.181 4.168 4.350 -0.002 0.000 0.267 231 T C 1.366 176.114 174.700 0.080 0.000 1.049 231 T CA 1.286 63.442 62.100 0.095 0.000 1.162 231 T CB -0.025 68.889 68.868 0.076 0.000 0.863 231 T HN 0.206 nan 8.240 nan 0.000 0.424 232 E N 0.513 120.759 120.200 0.077 0.000 2.403 232 E HA 0.148 4.496 4.350 -0.002 0.000 0.188 232 E C -0.553 176.086 176.600 0.064 0.000 1.056 232 E CA -0.305 56.131 56.400 0.060 0.000 0.892 232 E CB 0.382 30.111 29.700 0.049 0.000 1.049 232 E HN 0.186 nan 8.360 nan 0.000 0.465 233 V N 3.268 123.232 119.914 0.082 0.000 2.508 233 V HA 0.101 4.220 4.120 -0.002 0.000 0.281 233 V C -1.908 174.227 176.094 0.069 0.000 1.041 233 V CA -1.557 60.794 62.300 0.084 0.000 1.016 233 V CB 0.463 32.351 31.823 0.107 0.000 0.984 233 V HN 0.099 nan 8.190 nan 0.000 0.478 234 P HA 0.249 nan 4.420 nan 0.000 0.271 234 P C -0.742 176.577 177.300 0.032 0.000 1.233 234 P CA -0.259 62.865 63.100 0.039 0.000 0.789 234 P CB 0.528 32.252 31.700 0.039 0.000 0.951 235 L N 1.388 122.608 121.223 -0.004 0.000 2.329 235 L HA 0.451 4.790 4.340 -0.002 0.000 0.279 235 L C 0.125 176.935 176.870 -0.100 0.000 1.014 235 L CA -1.082 53.736 54.840 -0.036 0.000 0.814 235 L CB 1.376 43.409 42.059 -0.043 0.000 1.257 235 L HN 0.273 nan 8.230 nan 0.000 0.424 236 I N 2.527 122.993 120.570 -0.173 0.000 2.365 236 I HA 0.268 4.436 4.170 -0.002 0.000 0.291 236 I C -0.285 175.674 176.117 -0.263 0.000 1.004 236 I CA 0.152 61.256 61.300 -0.327 0.000 1.311 236 I CB 1.152 38.735 38.000 -0.695 0.000 1.401 236 I HN 0.559 nan 8.210 nan 0.000 0.491 237 E N 6.585 126.651 120.200 -0.222 0.000 2.222 237 E HA 0.610 4.958 4.350 -0.002 0.000 0.267 237 E C -1.707 174.834 176.600 -0.098 0.000 0.884 237 E CA -0.436 55.839 56.400 -0.209 0.000 0.764 237 E CB 1.853 31.456 29.700 -0.161 0.000 1.169 237 E HN 0.526 nan 8.360 nan 0.000 0.413 238 Y N -1.486 118.706 120.300 -0.179 0.000 2.670 238 Y HA 0.606 5.154 4.550 -0.002 0.000 0.334 238 Y C -0.737 175.064 175.900 -0.164 0.000 1.185 238 Y CA -1.372 56.620 58.100 -0.179 0.000 1.053 238 Y CB 0.881 39.230 38.460 -0.185 0.000 1.298 238 Y HN 0.192 nan 8.280 nan 0.000 0.459 239 S N 1.462 117.125 115.700 -0.061 0.000 2.537 239 S HA 0.476 4.944 4.470 -0.002 0.000 0.275 239 S C -1.508 172.928 174.600 -0.273 0.000 1.272 239 S CA -0.416 57.613 58.200 -0.286 0.000 1.050 239 S CB 0.273 63.133 63.200 -0.567 0.000 0.961 239 S HN 0.498 nan 8.310 nan 0.000 0.496 240 F N 3.396 123.115 119.950 -0.385 0.000 2.403 240 F HA 0.418 4.944 4.527 -0.002 0.000 0.355 240 F C -0.241 175.390 175.800 -0.281 0.000 1.119 240 F CA -0.969 56.868 58.000 -0.271 0.000 1.007 240 F CB 0.615 39.582 39.000 -0.055 0.000 1.194 240 F HN 0.616 nan 8.300 nan 0.000 0.443 241 Y N 2.612 122.698 120.300 -0.357 0.000 2.516 241 Y HA 0.074 4.623 4.550 -0.002 0.000 0.291 241 Y C 1.753 177.510 175.900 -0.240 0.000 1.131 241 Y CA 0.862 58.817 58.100 -0.241 0.000 1.281 241 Y CB -0.940 37.389 38.460 -0.219 0.000 1.013 241 Y HN 0.712 nan 8.280 nan 0.000 0.554 242 S N -0.197 115.284 115.700 -0.366 0.000 3.175 242 S HA -0.264 4.204 4.470 -0.002 0.000 0.637 242 S C -0.354 174.232 174.600 -0.024 0.000 2.824 242 S CA 0.418 58.557 58.200 -0.102 0.000 3.014 242 S CB -0.778 62.507 63.200 0.143 0.000 0.331 242 S HN 0.523 nan 8.310 nan 0.000 1.796 243 D N 1.389 121.810 120.400 0.036 0.000 2.368 243 D HA 0.260 4.898 4.640 -0.002 0.000 0.240 243 D C 1.379 177.691 176.300 0.021 0.000 1.169 243 D CA 0.344 54.361 54.000 0.028 0.000 0.906 243 D CB 0.211 41.036 40.800 0.042 0.000 1.187 243 D HN 0.565 nan 8.370 nan 0.000 0.435 244 E N 0.571 120.775 120.200 0.006 0.000 2.108 244 E HA -0.328 4.021 4.350 -0.002 0.000 0.203 244 E C 1.812 178.412 176.600 -0.000 0.000 1.022 244 E CA 1.765 58.161 56.400 -0.007 0.000 0.823 244 E CB -0.035 29.658 29.700 -0.011 0.000 0.744 244 E HN 0.514 nan 8.360 nan 0.000 0.456 245 S N 0.300 116.007 115.700 0.012 0.000 2.428 245 S HA -0.206 4.262 4.470 -0.002 0.000 0.240 245 S C 1.104 175.720 174.600 0.025 0.000 1.036 245 S CA 0.534 58.745 58.200 0.017 0.000 1.009 245 S CB -0.373 62.843 63.200 0.026 0.000 0.803 245 S HN 0.294 nan 8.310 nan 0.000 0.486 246 L N 2.333 123.577 121.223 0.036 0.000 2.433 246 L HA 0.143 4.482 4.340 -0.002 0.000 0.284 246 L C 1.607 178.501 176.870 0.041 0.000 1.120 246 L CA 0.020 54.895 54.840 0.058 0.000 0.879 246 L CB 0.676 42.783 42.059 0.081 0.000 1.232 246 L HN 0.533 nan 8.230 nan 0.000 0.454 247 Q N 4.266 124.092 119.800 0.043 0.000 2.030 247 Q HA -0.162 4.177 4.340 -0.002 0.000 0.204 247 Q C -0.518 175.401 176.000 -0.136 0.000 0.986 247 Q CA 1.735 57.508 55.803 -0.050 0.000 0.843 247 Q CB 0.101 28.829 28.738 -0.018 0.000 0.904 247 Q HN 0.590 nan 8.270 nan 0.000 0.420 248 Y N 0.584 120.897 120.300 0.023 0.000 2.331 248 Y HA 0.380 4.929 4.550 -0.002 0.000 0.338 248 Y C -1.995 173.935 175.900 0.050 0.000 0.992 248 Y CA -2.931 55.185 58.100 0.028 0.000 1.121 248 Y CB 1.236 39.706 38.460 0.016 0.000 1.184 248 Y HN 0.199 nan 8.280 nan 0.000 0.469 249 P HA 0.043 nan 4.420 nan 0.000 0.269 249 P C -0.387 176.982 177.300 0.116 0.000 1.215 249 P CA -0.391 62.824 63.100 0.193 0.000 0.780 249 P CB 0.764 32.628 31.700 0.273 0.000 0.898 250 K N 0.957 121.403 120.400 0.077 0.000 2.087 250 K HA 0.375 4.694 4.320 -0.002 0.000 0.255 250 K C -0.352 176.230 176.600 -0.031 0.000 0.988 250 K CA -0.163 56.152 56.287 0.046 0.000 0.915 250 K CB 0.903 33.463 32.500 0.099 0.000 1.043 250 K HN 0.355 nan 8.250 nan 0.000 0.457 251 T N 1.797 116.310 114.554 -0.069 0.000 2.758 251 T HA 0.289 4.638 4.350 -0.002 0.000 0.285 251 T C -0.513 174.056 174.700 -0.218 0.000 0.981 251 T CA -0.579 61.432 62.100 -0.149 0.000 0.965 251 T CB 1.061 69.856 68.868 -0.123 0.000 0.927 251 T HN 0.163 nan 8.240 nan 0.000 0.448 252 V N 5.330 124.993 119.914 -0.417 0.000 2.439 252 V HA 0.521 4.639 4.120 -0.002 0.000 0.282 252 V C 0.356 176.123 176.094 -0.545 0.000 1.039 252 V CA -0.759 61.225 62.300 -0.526 0.000 0.913 252 V CB 1.092 32.395 31.823 -0.866 0.000 0.983 252 V HN 0.708 nan 8.190 nan 0.000 0.460 253 R N 3.009 123.340 120.500 -0.281 0.000 2.599 253 R HA 0.840 5.179 4.340 -0.002 0.000 0.295 253 R C -1.712 174.540 176.300 -0.080 0.000 0.963 253 R CA -0.676 55.309 56.100 -0.192 0.000 0.883 253 R CB 2.450 32.679 30.300 -0.120 0.000 1.171 253 R HN 0.562 nan 8.270 nan 0.000 0.450 254 V N 2.566 122.437 119.914 -0.071 0.000 2.612 254 V HA 0.301 4.419 4.120 -0.002 0.000 0.301 254 V C -2.537 173.566 176.094 0.016 0.000 1.059 254 V CA -2.295 60.012 62.300 0.012 0.000 0.886 254 V CB 1.967 33.741 31.823 -0.082 0.000 1.007 254 V HN 0.667 nan 8.190 nan 0.000 0.426 255 P HA 0.179 nan 4.420 nan 0.000 0.264 255 P C -1.267 176.083 177.300 0.082 0.000 1.236 255 P CA 0.366 63.531 63.100 0.108 0.000 0.811 255 P CB -0.260 31.548 31.700 0.180 0.000 0.840 256 Y N 6.559 126.784 120.300 -0.125 0.000 2.317 256 Y HA 0.392 4.941 4.550 -0.002 0.000 0.325 256 Y C -2.804 173.024 175.900 -0.121 0.000 1.066 256 Y CA -3.140 54.816 58.100 -0.240 0.000 1.203 256 Y CB 1.674 39.863 38.460 -0.452 0.000 1.127 256 Y HN 0.256 nan 8.280 nan 0.000 0.451 257 P HA 0.227 nan 4.420 nan 0.000 0.287 257 P C -0.762 176.599 177.300 0.101 0.000 1.294 257 P CA -0.183 62.960 63.100 0.072 0.000 0.776 257 P CB 1.397 33.118 31.700 0.035 0.000 0.889 258 K N 1.961 122.496 120.400 0.224 0.000 2.102 258 K HA 0.457 4.776 4.320 -0.002 0.000 0.244 258 K C 0.482 177.176 176.600 0.156 0.000 1.021 258 K CA -0.722 55.715 56.287 0.249 0.000 0.913 258 K CB 0.830 33.469 32.500 0.232 0.000 1.062 258 K HN 0.489 nan 8.250 nan 0.000 0.485 259 A N 0.349 123.280 122.820 0.185 0.000 2.591 259 A HA 0.249 4.567 4.320 -0.002 0.000 0.244 259 A C 1.215 178.833 177.584 0.056 0.000 1.031 259 A CA 1.337 53.463 52.037 0.148 0.000 0.767 259 A CB -1.116 18.019 19.000 0.225 0.000 0.942 259 A HN 0.908 nan 8.150 nan 0.000 0.514 260 G N 1.054 109.884 108.800 0.050 0.000 2.258 260 G HA2 0.144 4.102 3.960 -0.002 0.000 0.233 260 G HA3 0.144 4.102 3.960 -0.002 0.000 0.233 260 G C 0.732 175.650 174.900 0.030 0.000 1.006 260 G CA 0.606 45.714 45.100 0.014 0.000 0.620 260 G HN 2.220 nan 8.290 nan 0.000 0.511 261 A N 0.181 123.030 122.820 0.049 0.000 2.280 261 A HA 0.715 5.033 4.320 -0.002 0.000 0.268 261 A C 0.994 178.608 177.584 0.050 0.000 1.111 261 A CA 0.427 52.494 52.037 0.049 0.000 0.814 261 A CB 0.514 19.554 19.000 0.066 0.000 1.093 261 A HN 1.219 nan 8.150 nan 0.000 0.498 262 V N 1.540 121.482 119.914 0.047 0.000 2.694 262 V HA -0.036 4.083 4.120 -0.002 0.000 0.306 262 V C 0.687 176.821 176.094 0.066 0.000 1.054 262 V CA 0.613 62.941 62.300 0.047 0.000 1.161 262 V CB -0.103 31.747 31.823 0.045 0.000 0.916 262 V HN 0.901 nan 8.190 nan 0.000 0.490 263 N N 5.182 123.923 118.700 0.068 0.000 2.472 263 N HA 0.479 5.217 4.740 -0.002 0.000 0.289 263 N C -2.571 173.017 175.510 0.130 0.000 1.156 263 N CA -1.445 51.670 53.050 0.109 0.000 0.940 263 N CB 1.531 40.081 38.487 0.106 0.000 1.200 263 N HN 0.467 nan 8.380 nan 0.000 0.511 264 P HA 0.026 nan 4.420 nan 0.000 0.271 264 P C -0.498 176.940 177.300 0.229 0.000 1.216 264 P CA -0.106 63.133 63.100 0.232 0.000 0.771 264 P CB 0.525 32.402 31.700 0.296 0.000 0.864 265 T N -0.100 114.556 114.554 0.170 0.000 2.862 265 T HA 0.560 4.909 4.350 -0.002 0.000 0.276 265 T C 0.127 174.929 174.700 0.170 0.000 0.974 265 T CA -0.680 61.485 62.100 0.108 0.000 0.966 265 T CB 1.300 70.196 68.868 0.046 0.000 1.072 265 T HN 0.368 nan 8.240 nan 0.000 0.538 266 V N -0.793 119.192 119.914 0.119 0.000 3.181 266 V HA 0.880 4.999 4.120 -0.002 0.000 0.308 266 V C -1.748 174.389 176.094 0.071 0.000 1.214 266 V CA -1.010 61.306 62.300 0.026 0.000 1.053 266 V CB 2.188 34.016 31.823 0.009 0.000 1.069 266 V HN 1.173 nan 8.190 nan 0.000 0.441 267 K N 2.375 122.764 120.400 -0.018 0.000 2.583 267 K HA 0.491 4.810 4.320 -0.002 0.000 0.260 267 K C -2.378 174.048 176.600 -0.289 0.000 0.931 267 K CA -0.374 55.858 56.287 -0.093 0.000 0.849 267 K CB 2.030 34.509 32.500 -0.034 0.000 1.347 267 K HN 0.603 nan 8.250 nan 0.000 0.425 268 F N 3.999 123.516 119.950 -0.722 0.000 2.540 268 F HA 0.668 5.194 4.527 -0.002 0.000 0.317 268 F C -1.423 173.749 175.800 -1.046 0.000 1.104 268 F CA -0.393 57.206 58.000 -0.668 0.000 0.913 268 F CB 0.951 39.758 39.000 -0.321 0.000 1.170 268 F HN 0.423 nan 8.300 nan 0.000 0.450 269 F N 2.986 122.288 119.950 -1.080 0.000 2.692 269 F HA 0.809 5.335 4.527 -0.002 0.000 0.320 269 F C -1.109 174.038 175.800 -1.088 0.000 1.123 269 F CA -1.317 56.137 58.000 -0.910 0.000 0.961 269 F CB 1.834 40.224 39.000 -1.016 0.000 1.383 269 F HN 0.119 nan 8.300 nan 0.000 0.483 270 V N 1.745 121.376 119.914 -0.473 0.000 2.697 270 V HA 0.488 4.607 4.120 -0.002 0.000 0.300 270 V C -1.349 174.720 176.094 -0.041 0.000 1.115 270 V CA -0.691 61.381 62.300 -0.379 0.000 0.912 270 V CB 1.901 33.264 31.823 -0.766 0.000 1.024 270 V HN 0.574 nan 8.190 nan 0.000 0.431 271 V N 3.725 123.714 119.914 0.125 0.000 2.495 271 V HA 0.478 4.596 4.120 -0.002 0.000 0.298 271 V C 0.031 176.334 176.094 0.347 0.000 1.031 271 V CA -0.742 61.689 62.300 0.217 0.000 0.871 271 V CB 2.085 33.998 31.823 0.150 0.000 0.988 271 V HN 0.868 nan 8.190 nan 0.000 0.432 272 N N 2.955 121.859 118.700 0.339 0.000 2.411 272 N HA 0.156 4.895 4.740 -0.002 0.000 0.259 272 N C 0.680 176.183 175.510 -0.012 0.000 1.103 272 N CA 0.276 53.418 53.050 0.153 0.000 0.954 272 N CB 1.679 40.275 38.487 0.180 0.000 1.085 272 N HN 0.683 nan 8.380 nan 0.000 0.485 273 T N 1.297 115.794 114.554 -0.095 0.000 3.014 273 T HA 0.107 4.456 4.350 -0.002 0.000 0.250 273 T C 0.085 174.727 174.700 -0.097 0.000 1.060 273 T CA 0.336 62.404 62.100 -0.054 0.000 1.040 273 T CB 0.209 69.124 68.868 0.078 0.000 0.971 273 T HN 0.455 nan 8.240 nan 0.000 0.497 274 D N 1.521 121.842 120.400 -0.132 0.000 2.370 274 D HA 0.133 4.772 4.640 -0.002 0.000 0.230 274 D C 1.248 177.501 176.300 -0.078 0.000 1.143 274 D CA 0.181 54.118 54.000 -0.104 0.000 0.834 274 D CB 0.311 41.041 40.800 -0.116 0.000 0.944 274 D HN 0.467 nan 8.370 nan 0.000 0.504 275 S N -1.421 114.230 115.700 -0.082 0.000 2.893 275 S HA 0.170 4.639 4.470 -0.002 0.000 0.258 275 S C 0.735 175.295 174.600 -0.066 0.000 1.034 275 S CA -0.452 57.724 58.200 -0.039 0.000 1.167 275 S CB 0.316 63.523 63.200 0.012 0.000 1.137 275 S HN -0.004 nan 8.310 nan 0.000 0.650 276 L N 2.651 123.767 121.223 -0.179 0.000 2.444 276 L HA 0.520 4.859 4.340 -0.002 0.000 0.251 276 L C 0.671 177.432 176.870 -0.181 0.000 1.247 276 L CA 0.480 55.134 54.840 -0.310 0.000 0.825 276 L CB 0.351 41.918 42.059 -0.821 0.000 1.129 276 L HN 0.639 nan 8.230 nan 0.000 0.527 277 S N -2.172 113.519 115.700 -0.016 0.000 2.680 277 S HA 0.082 4.551 4.470 -0.002 0.000 0.284 277 S C -0.102 174.799 174.600 0.502 0.000 1.055 277 S CA -0.234 58.156 58.200 0.316 0.000 0.849 277 S CB 0.951 64.242 63.200 0.153 0.000 1.068 277 S HN 0.660 nan 8.310 nan 0.000 0.453 278 S N 1.005 116.929 115.700 0.374 0.000 2.524 278 S HA 0.123 4.592 4.470 -0.002 0.000 0.216 278 S C 1.511 176.184 174.600 0.122 0.000 0.987 278 S CA 0.805 59.104 58.200 0.165 0.000 0.909 278 S CB -0.368 62.822 63.200 -0.018 0.000 0.781 278 S HN 0.781 nan 8.310 nan 0.000 0.521 279 V N 2.202 122.188 119.914 0.121 0.000 2.239 279 V HA -0.027 4.092 4.120 -0.002 0.000 0.242 279 V C 1.561 177.712 176.094 0.095 0.000 1.038 279 V CA 1.706 64.059 62.300 0.089 0.000 1.002 279 V CB -1.238 30.630 31.823 0.075 0.000 0.641 279 V HN 0.532 nan 8.190 nan 0.000 0.449 280 T N 1.794 116.411 114.554 0.105 0.000 2.828 280 T HA 0.306 4.655 4.350 -0.002 0.000 0.290 280 T C -0.045 174.736 174.700 0.136 0.000 1.019 280 T CA -0.420 61.739 62.100 0.099 0.000 1.031 280 T CB 0.584 69.505 68.868 0.088 0.000 1.001 280 T HN 0.592 nan 8.240 nan 0.000 0.531 281 N N 0.077 118.852 118.700 0.126 0.000 2.530 281 N HA 0.586 5.324 4.740 -0.002 0.000 0.283 281 N C -0.861 174.729 175.510 0.134 0.000 1.238 281 N CA -1.127 52.026 53.050 0.172 0.000 0.971 281 N CB 0.274 38.914 38.487 0.257 0.000 1.195 281 N HN 0.720 nan 8.380 nan 0.000 0.583 282 A N -0.718 122.189 122.820 0.144 0.000 2.366 282 A HA 0.449 4.768 4.320 -0.002 0.000 0.272 282 A C -0.347 177.291 177.584 0.091 0.000 1.135 282 A CA -0.404 51.691 52.037 0.096 0.000 0.804 282 A CB -0.426 18.613 19.000 0.065 0.000 1.064 282 A HN 0.590 nan 8.150 nan 0.000 0.499 283 T N 3.098 117.707 114.554 0.092 0.000 3.016 283 T HA 0.268 4.616 4.350 -0.002 0.000 0.335 283 T C 0.435 175.205 174.700 0.116 0.000 1.176 283 T CA 0.121 62.281 62.100 0.100 0.000 0.987 283 T CB -0.024 68.909 68.868 0.109 0.000 1.073 283 T HN 0.594 nan 8.240 nan 0.000 0.547 284 S N 3.427 119.179 115.700 0.087 0.000 2.568 284 S HA 0.265 4.733 4.470 -0.002 0.000 0.282 284 S C 0.581 175.272 174.600 0.152 0.000 1.338 284 S CA -0.486 57.766 58.200 0.086 0.000 1.045 284 S CB 0.184 63.359 63.200 -0.041 0.000 0.873 284 S HN 0.462 nan 8.310 nan 0.000 0.516 285 I N 2.821 123.486 120.570 0.158 0.000 2.428 285 I HA 0.296 4.464 4.170 -0.002 0.000 0.296 285 I C 0.444 176.633 176.117 0.120 0.000 0.985 285 I CA -0.283 61.122 61.300 0.175 0.000 1.260 285 I CB 1.383 39.537 38.000 0.256 0.000 1.389 285 I HN 0.594 nan 8.210 nan 0.000 0.484 286 Q N 5.131 124.991 119.800 0.100 0.000 2.290 286 Q HA 0.480 4.819 4.340 -0.002 0.000 0.259 286 Q C -1.199 174.728 176.000 -0.120 0.000 0.941 286 Q CA -0.722 55.007 55.803 -0.123 0.000 0.912 286 Q CB 1.615 30.277 28.738 -0.126 0.000 1.244 286 Q HN 0.517 nan 8.270 nan 0.000 0.441 287 I N 3.957 124.427 120.570 -0.165 0.000 2.297 287 I HA 0.136 4.305 4.170 -0.002 0.000 0.291 287 I C 0.184 176.263 176.117 -0.064 0.000 1.033 287 I CA -0.152 61.108 61.300 -0.066 0.000 1.253 287 I CB 1.465 39.437 38.000 -0.047 0.000 1.396 287 I HN 0.574 nan 8.210 nan 0.000 0.476 288 T N 3.724 118.222 114.554 -0.093 0.000 2.913 288 T HA 0.637 4.985 4.350 -0.002 0.000 0.297 288 T C 0.468 175.003 174.700 -0.274 0.000 1.029 288 T CA -0.954 61.047 62.100 -0.165 0.000 1.104 288 T CB 1.344 70.124 68.868 -0.147 0.000 0.964 288 T HN 0.575 nan 8.240 nan 0.000 0.532 289 A N 3.307 125.786 122.820 -0.569 0.000 2.366 289 A HA 0.569 4.888 4.320 -0.002 0.000 0.250 289 A C -2.040 175.117 177.584 -0.711 0.000 1.099 289 A CA -1.380 49.966 52.037 -1.151 0.000 0.794 289 A CB -0.892 16.965 19.000 -1.905 0.000 1.056 289 A HN 0.692 nan 8.150 nan 0.000 0.499 290 P HA 0.262 nan 4.420 nan 0.000 0.271 290 P C 0.686 177.791 177.300 -0.325 0.000 1.244 290 P CA 0.510 63.384 63.100 -0.376 0.000 0.793 290 P CB 0.548 32.083 31.700 -0.274 0.000 0.984 291 A N 1.132 123.834 122.820 -0.198 0.000 1.898 291 A HA -0.140 4.178 4.320 -0.002 0.000 0.216 291 A C 1.928 179.424 177.584 -0.146 0.000 1.181 291 A CA 2.050 53.992 52.037 -0.158 0.000 0.620 291 A CB -1.729 17.209 19.000 -0.103 0.000 0.819 291 A HN 0.604 nan 8.150 nan 0.000 0.442 292 S N -1.457 114.177 115.700 -0.110 0.000 2.603 292 S HA 0.075 4.544 4.470 -0.002 0.000 0.229 292 S C 1.434 175.979 174.600 -0.091 0.000 0.972 292 S CA 0.944 59.104 58.200 -0.067 0.000 0.935 292 S CB -0.115 63.108 63.200 0.038 0.000 0.769 292 S HN 0.376 nan 8.310 nan 0.000 0.536 293 M N 0.048 119.523 119.600 -0.207 0.000 2.730 293 M HA 0.363 4.841 4.480 -0.002 0.000 0.258 293 M C 1.080 177.201 176.300 -0.298 0.000 1.279 293 M CA 0.366 55.489 55.300 -0.294 0.000 1.183 293 M CB -0.967 31.276 32.600 -0.595 0.000 1.291 293 M HN 0.301 nan 8.290 nan 0.000 0.518 294 L N 0.734 121.767 121.223 -0.316 0.000 2.642 294 L HA -0.033 4.306 4.340 -0.002 0.000 0.236 294 L C 1.980 178.809 176.870 -0.069 0.000 1.169 294 L CA 1.084 55.810 54.840 -0.189 0.000 0.851 294 L CB -1.290 40.650 42.059 -0.198 0.000 0.968 294 L HN 0.191 nan 8.230 nan 0.000 0.453 295 I N -1.588 118.941 120.570 -0.068 0.000 2.617 295 I HA 0.048 4.217 4.170 -0.002 0.000 0.256 295 I C 1.238 177.341 176.117 -0.023 0.000 1.167 295 I CA 0.646 61.916 61.300 -0.051 0.000 1.469 295 I CB 0.205 38.161 38.000 -0.073 0.000 1.098 295 I HN 0.328 nan 8.210 nan 0.000 0.436 296 G N -1.312 107.494 108.800 0.011 0.000 2.489 296 G HA2 0.188 4.147 3.960 -0.002 0.000 0.305 296 G HA3 0.188 4.147 3.960 -0.002 0.000 0.305 296 G C -1.736 173.182 174.900 0.030 0.000 1.311 296 G CA -0.728 44.375 45.100 0.005 0.000 0.813 296 G HN -0.133 nan 8.290 nan 0.000 0.480 297 D N 0.622 120.988 120.400 -0.058 0.000 2.449 297 D HA 0.480 5.118 4.640 -0.002 0.000 0.236 297 D C 0.469 176.645 176.300 -0.208 0.000 1.149 297 D CA 1.025 54.909 54.000 -0.192 0.000 0.878 297 D CB 0.763 41.442 40.800 -0.202 0.000 1.198 297 D HN 0.709 nan 8.370 nan 0.000 0.446 298 H N -2.188 116.698 119.070 -0.307 0.000 2.902 298 H HA 0.607 5.162 4.556 -0.002 0.000 0.297 298 H C -1.630 173.496 175.328 -0.337 0.000 1.406 298 H CA -0.995 54.868 56.048 -0.308 0.000 1.134 298 H CB 0.448 30.186 29.762 -0.040 0.000 1.833 298 H HN 0.330 nan 8.280 nan 0.000 0.527 299 Y N -0.502 120.107 120.300 0.514 0.000 2.553 299 Y HA 0.378 4.927 4.550 -0.002 0.000 0.347 299 Y C -0.427 175.816 175.900 0.572 0.000 1.019 299 Y CA -1.313 57.102 58.100 0.526 0.000 1.032 299 Y CB 1.840 40.434 38.460 0.223 0.000 1.284 299 Y HN 0.558 nan 8.280 nan 0.000 0.466 300 L N 2.518 124.101 121.223 0.599 0.000 2.410 300 L HA 0.119 4.457 4.340 -0.002 0.000 0.273 300 L C 0.609 177.550 176.870 0.119 0.000 1.152 300 L CA 0.072 54.877 54.840 -0.058 0.000 0.855 300 L CB 0.594 42.608 42.059 -0.074 0.000 1.129 300 L HN 1.162 nan 8.230 nan 0.000 0.463 301 C N 0.288 119.486 119.300 -0.170 0.000 3.730 301 C HA 0.425 4.883 4.460 -0.002 0.000 0.397 301 C C 0.186 174.932 174.990 -0.407 0.000 1.468 301 C CA -0.426 58.422 59.018 -0.282 0.000 1.931 301 C CB -0.251 27.371 27.740 -0.195 0.000 2.773 301 C HN 0.836 nan 8.230 nan 0.000 0.692 302 D N -0.033 120.183 120.400 -0.308 0.000 2.756 302 D HA 0.663 5.302 4.640 -0.002 0.000 0.226 302 D C -1.442 174.614 176.300 -0.407 0.000 1.186 302 D CA -0.267 53.578 54.000 -0.259 0.000 0.845 302 D CB 2.462 43.109 40.800 -0.255 0.000 1.610 302 D HN 0.068 nan 8.370 nan 0.000 0.465 303 V N 2.083 121.733 119.914 -0.440 0.000 2.668 303 V HA 0.629 4.747 4.120 -0.002 0.000 0.304 303 V C -0.867 174.922 176.094 -0.508 0.000 1.071 303 V CA -0.549 61.291 62.300 -0.767 0.000 0.894 303 V CB 2.193 33.079 31.823 -1.561 0.000 1.008 303 V HN 0.765 nan 8.190 nan 0.000 0.425 304 T N 3.427 117.754 114.554 -0.379 0.000 3.186 304 T HA 0.287 4.636 4.350 -0.002 0.000 0.320 304 T C -0.751 173.894 174.700 -0.092 0.000 0.955 304 T CA -0.463 61.564 62.100 -0.122 0.000 1.030 304 T CB 0.522 69.360 68.868 -0.051 0.000 1.013 304 T HN 0.519 nan 8.240 nan 0.000 0.454 305 W N 1.808 123.069 121.300 -0.066 0.000 2.148 305 W HA 0.442 5.100 4.660 -0.002 0.000 0.347 305 W C 1.191 177.600 176.519 -0.184 0.000 1.288 305 W CA 0.157 57.457 57.345 -0.075 0.000 1.252 305 W CB 0.556 30.049 29.460 0.056 0.000 1.156 305 W HN 0.760 nan 8.180 nan 0.000 0.580 306 A N 0.903 123.683 122.820 -0.066 0.000 2.026 306 A HA 0.291 4.610 4.320 -0.002 0.000 0.198 306 A C 0.526 178.033 177.584 -0.127 0.000 1.390 306 A CA 1.247 52.948 52.037 -0.560 0.000 0.915 306 A CB -0.172 17.834 19.000 -1.657 0.000 0.974 306 A HN 0.524 nan 8.150 nan 0.000 0.477 307 T N -5.369 109.256 114.554 0.118 0.000 2.645 307 T HA 0.293 4.642 4.350 -0.002 0.000 0.300 307 T C -0.111 174.743 174.700 0.257 0.000 1.210 307 T CA -0.331 61.869 62.100 0.167 0.000 1.034 307 T CB 0.488 69.433 68.868 0.129 0.000 1.537 307 T HN -0.097 nan 8.240 nan 0.000 0.492 308 Q N 0.468 120.378 119.800 0.183 0.000 2.443 308 Q HA -0.028 4.311 4.340 -0.002 0.000 0.213 308 Q C 0.481 176.696 176.000 0.358 0.000 0.982 308 Q CA 1.421 57.336 55.803 0.185 0.000 0.894 308 Q CB -0.205 28.619 28.738 0.144 0.000 0.947 308 Q HN 0.827 nan 8.270 nan 0.000 0.480 309 E N -0.302 120.129 120.200 0.385 0.000 3.293 309 E HA 0.215 4.564 4.350 -0.002 0.000 0.174 309 E C -0.480 176.314 176.600 0.324 0.000 0.958 309 E CA -0.147 56.470 56.400 0.361 0.000 1.352 309 E CB 0.944 30.788 29.700 0.239 0.000 1.066 309 E HN 0.006 nan 8.360 nan 0.000 0.448 310 R N 2.026 122.821 120.500 0.492 0.000 2.603 310 R HA 0.261 4.600 4.340 -0.002 0.000 0.280 310 R C -1.394 174.971 176.300 0.108 0.000 1.185 310 R CA -0.339 55.933 56.100 0.286 0.000 1.039 310 R CB 0.715 31.076 30.300 0.102 0.000 1.247 310 R HN 0.030 nan 8.270 nan 0.000 0.413 311 I N 1.338 121.839 120.570 -0.115 0.000 2.498 311 I HA 0.467 4.636 4.170 -0.002 0.000 0.301 311 I C -0.095 175.787 176.117 -0.392 0.000 0.984 311 I CA -0.920 60.047 61.300 -0.555 0.000 1.204 311 I CB 1.799 39.225 38.000 -0.958 0.000 1.362 311 I HN 0.524 nan 8.210 nan 0.000 0.471 312 S N 6.402 121.847 115.700 -0.424 0.000 2.552 312 S HA 0.778 5.246 4.470 -0.002 0.000 0.314 312 S C -0.908 173.432 174.600 -0.432 0.000 1.099 312 S CA -0.622 57.399 58.200 -0.298 0.000 1.070 312 S CB 0.559 63.704 63.200 -0.092 0.000 0.998 312 S HN 0.532 nan 8.310 nan 0.000 0.474 313 L N 3.872 124.829 121.223 -0.444 0.000 2.370 313 L HA 0.647 4.986 4.340 -0.002 0.000 0.266 313 L C -0.353 176.227 176.870 -0.484 0.000 1.002 313 L CA -0.997 53.478 54.840 -0.608 0.000 0.818 313 L CB 1.912 43.425 42.059 -0.909 0.000 1.325 313 L HN 0.531 nan 8.230 nan 0.000 0.418 314 Q N 0.831 120.305 119.800 -0.542 0.000 2.266 314 Q HA 0.558 4.897 4.340 -0.002 0.000 0.261 314 Q C -1.692 173.978 176.000 -0.550 0.000 0.985 314 Q CA -0.694 54.885 55.803 -0.374 0.000 0.873 314 Q CB 2.227 30.822 28.738 -0.239 0.000 1.306 314 Q HN 0.506 nan 8.270 nan 0.000 0.447 315 W N 1.329 122.574 121.300 -0.092 0.000 2.850 315 W HA 0.722 5.381 4.660 -0.002 0.000 0.349 315 W C -0.909 175.635 176.519 0.042 0.000 1.133 315 W CA -0.758 56.580 57.345 -0.012 0.000 1.117 315 W CB 1.217 30.638 29.460 -0.064 0.000 1.442 315 W HN 0.447 nan 8.180 nan 0.000 0.575 316 L N 2.203 123.668 121.223 0.403 0.000 2.528 316 L HA 0.503 4.842 4.340 -0.002 0.000 0.267 316 L C -0.034 177.044 176.870 0.346 0.000 0.961 316 L CA -0.788 54.249 54.840 0.329 0.000 0.866 316 L CB 0.986 43.214 42.059 0.281 0.000 1.248 316 L HN 0.455 nan 8.230 nan 0.000 0.404 317 R N 2.450 123.114 120.500 0.273 0.000 2.817 317 R HA -0.023 4.316 4.340 -0.002 0.000 0.264 317 R C 0.902 177.272 176.300 0.116 0.000 1.009 317 R CA 0.090 56.289 56.100 0.165 0.000 1.133 317 R CB 0.433 30.805 30.300 0.119 0.000 1.013 317 R HN 0.663 nan 8.270 nan 0.000 0.453 318 R N 1.164 121.655 120.500 -0.015 0.000 2.189 318 R HA -0.044 4.294 4.340 -0.002 0.000 0.223 318 R C 0.133 176.492 176.300 0.098 0.000 1.092 318 R CA 0.916 56.996 56.100 -0.034 0.000 0.989 318 R CB 0.046 30.273 30.300 -0.121 0.000 0.876 318 R HN 0.422 nan 8.270 nan 0.000 0.457 319 I N 1.703 122.316 120.570 0.073 0.000 2.325 319 I HA 0.075 4.244 4.170 -0.002 0.000 0.291 319 I C 0.196 176.384 176.117 0.119 0.000 1.019 319 I CA 0.037 61.384 61.300 0.077 0.000 1.302 319 I CB 1.792 39.817 38.000 0.041 0.000 1.401 319 I HN 0.035 nan 8.210 nan 0.000 0.485 320 Q N 4.498 124.364 119.800 0.109 0.000 2.286 320 Q HA 0.113 4.452 4.340 -0.002 0.000 0.281 320 Q C 0.288 176.369 176.000 0.134 0.000 0.897 320 Q CA -0.134 55.747 55.803 0.130 0.000 1.023 320 Q CB -0.135 28.643 28.738 0.067 0.000 1.151 320 Q HN 0.668 nan 8.270 nan 0.000 0.445 321 N N -0.361 118.426 118.700 0.146 0.000 2.235 321 N HA -0.006 4.732 4.740 -0.002 0.000 0.209 321 N C -0.979 174.649 175.510 0.196 0.000 1.122 321 N CA -0.085 53.048 53.050 0.138 0.000 0.845 321 N CB 0.305 38.853 38.487 0.102 0.000 1.004 321 N HN 0.180 nan 8.380 nan 0.000 0.499 322 Y N 0.662 120.992 120.300 0.051 0.000 2.436 322 Y HA 0.531 5.080 4.550 -0.002 0.000 0.327 322 Y C -1.466 174.472 175.900 0.064 0.000 1.138 322 Y CA -0.970 57.158 58.100 0.047 0.000 1.042 322 Y CB 1.395 39.876 38.460 0.035 0.000 1.302 322 Y HN 0.163 nan 8.280 nan 0.000 0.439 323 S N 4.088 119.681 115.700 -0.179 0.000 2.547 323 S HA 0.862 5.330 4.470 -0.002 0.000 0.270 323 S C -2.414 172.097 174.600 -0.147 0.000 1.150 323 S CA -0.760 57.420 58.200 -0.034 0.000 0.850 323 S CB 1.598 64.801 63.200 0.005 0.000 1.118 323 S HN 0.573 nan 8.310 nan 0.000 0.461 324 V N 3.140 123.060 119.914 0.010 0.000 2.656 324 V HA 0.593 4.712 4.120 -0.002 0.000 0.307 324 V C -0.372 175.759 176.094 0.060 0.000 1.051 324 V CA -0.629 61.681 62.300 0.016 0.000 0.893 324 V CB 1.852 33.714 31.823 0.065 0.000 0.999 324 V HN 1.017 nan 8.190 nan 0.000 0.426 325 M N 3.460 123.068 119.600 0.014 0.000 2.404 325 M HA 0.595 5.074 4.480 -0.002 0.000 0.338 325 M C -1.562 174.757 176.300 0.031 0.000 1.150 325 M CA -0.251 55.032 55.300 -0.029 0.000 1.016 325 M CB 1.501 34.032 32.600 -0.116 0.000 1.672 325 M HN 0.679 nan 8.290 nan 0.000 0.448 326 D N 3.973 124.370 120.400 -0.005 0.000 2.780 326 D HA 0.533 5.172 4.640 -0.002 0.000 0.242 326 D C -1.486 174.801 176.300 -0.022 0.000 1.135 326 D CA -0.147 53.865 54.000 0.021 0.000 0.859 326 D CB 1.790 42.629 40.800 0.064 0.000 1.530 326 D HN 0.501 nan 8.370 nan 0.000 0.493 327 I N 2.491 123.080 120.570 0.032 0.000 2.362 327 I HA 0.417 4.585 4.170 -0.002 0.000 0.289 327 I C -0.645 175.499 176.117 0.045 0.000 0.994 327 I CA -0.469 60.856 61.300 0.041 0.000 1.158 327 I CB 1.338 39.415 38.000 0.128 0.000 1.315 327 I HN 0.255 nan 8.210 nan 0.000 0.451 328 c N 3.847 122.471 118.600 0.040 0.000 2.431 328 c HA 0.548 5.117 4.570 -0.002 0.000 0.321 328 c C -0.808 173.455 174.090 0.288 0.000 1.202 328 c CA -0.968 55.445 56.329 0.140 0.000 1.398 328 c CB 0.703 43.282 42.510 0.114 0.000 2.047 328 c HN 0.717 nan 8.230 nan 0.000 0.465 329 D N 0.814 121.341 120.400 0.212 0.000 2.185 329 D HA 0.336 4.974 4.640 -0.002 0.000 0.247 329 D C -0.599 175.563 176.300 -0.230 0.000 1.027 329 D CA -0.541 53.502 54.000 0.072 0.000 0.861 329 D CB 0.598 41.408 40.800 0.016 0.000 1.202 329 D HN 0.510 nan 8.370 nan 0.000 0.453 330 Y N 1.545 121.241 120.300 -1.007 0.000 2.650 330 Y HA 0.051 4.599 4.550 -0.002 0.000 0.331 330 Y C 0.167 175.740 175.900 -0.545 0.000 1.165 330 Y CA -0.216 57.095 58.100 -1.315 0.000 1.473 330 Y CB 0.295 38.032 38.460 -1.205 0.000 1.224 330 Y HN 0.344 nan 8.280 nan 0.000 0.533 331 D N 5.945 125.952 120.400 -0.654 0.000 2.402 331 D HA 0.000 4.639 4.640 -0.002 0.000 0.235 331 D C 1.056 176.843 176.300 -0.855 0.000 1.226 331 D CA 0.176 53.855 54.000 -0.536 0.000 0.918 331 D CB 0.419 41.040 40.800 -0.298 0.000 1.043 331 D HN 0.893 nan 8.370 nan 0.000 0.506 332 E N 1.782 121.530 120.200 -0.754 0.000 2.164 332 E HA -0.304 4.045 4.350 -0.002 0.000 0.206 332 E C 1.623 177.988 176.600 -0.393 0.000 1.032 332 E CA 2.039 58.068 56.400 -0.618 0.000 0.832 332 E CB 0.231 29.779 29.700 -0.254 0.000 0.742 332 E HN 0.471 nan 8.360 nan 0.000 0.460 333 S N -1.427 114.111 115.700 -0.270 0.000 2.446 333 S HA 0.025 4.494 4.470 -0.002 0.000 0.225 333 S C 2.011 176.539 174.600 -0.119 0.000 1.016 333 S CA 1.068 59.179 58.200 -0.147 0.000 0.943 333 S CB 0.320 63.459 63.200 -0.101 0.000 0.786 333 S HN 0.125 nan 8.310 nan 0.000 0.508 334 S N -0.388 115.217 115.700 -0.157 0.000 2.492 334 S HA 0.405 4.873 4.470 -0.002 0.000 0.218 334 S C 1.400 175.982 174.600 -0.030 0.000 1.016 334 S CA 0.737 58.891 58.200 -0.078 0.000 0.916 334 S CB -0.439 62.722 63.200 -0.064 0.000 0.791 334 S HN 1.267 nan 8.310 nan 0.000 0.513 335 G N 1.686 110.427 108.800 -0.098 0.000 2.155 335 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.257 335 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.257 335 G C 0.195 175.252 174.900 0.261 0.000 0.983 335 G CA 0.290 45.501 45.100 0.185 0.000 0.676 335 G HN 0.453 nan 8.290 nan 0.000 0.528 336 R N -1.566 118.975 120.500 0.069 0.000 2.549 336 R HA 0.646 4.985 4.340 -0.002 0.000 0.259 336 R C -0.570 175.759 176.300 0.047 0.000 1.095 336 R CA -0.392 55.794 56.100 0.144 0.000 1.148 336 R CB 0.652 30.997 30.300 0.076 0.000 1.181 336 R HN 0.185 nan 8.270 nan 0.000 0.571 337 W N 0.192 121.530 121.300 0.064 0.000 2.819 337 W HA 0.390 5.048 4.660 -0.002 0.000 0.337 337 W C -0.356 176.163 176.519 -0.000 0.000 1.077 337 W CA -0.543 56.820 57.345 0.031 0.000 1.226 337 W CB 1.212 30.663 29.460 -0.015 0.000 1.419 337 W HN 0.323 nan 8.180 nan 0.000 0.502 338 N N 1.803 120.608 118.700 0.174 0.000 2.269 338 N HA 0.505 5.243 4.740 -0.002 0.000 0.304 338 N C -1.601 173.964 175.510 0.090 0.000 1.072 338 N CA -0.585 52.523 53.050 0.097 0.000 0.802 338 N CB 1.931 40.441 38.487 0.040 0.000 1.348 338 N HN 0.246 nan 8.380 nan 0.000 0.484 339 c N 2.403 121.036 118.600 0.055 0.000 2.409 339 c HA 0.349 4.918 4.570 -0.002 0.000 0.297 339 c C -0.046 174.055 174.090 0.019 0.000 1.083 339 c CA -1.000 55.353 56.329 0.039 0.000 1.515 339 c CB -1.364 41.160 42.510 0.023 0.000 1.869 339 c HN 0.492 nan 8.230 nan 0.000 0.413 340 L N 2.914 124.151 121.223 0.024 0.000 2.455 340 L HA 0.078 4.417 4.340 -0.002 0.000 0.272 340 L C 1.683 178.554 176.870 0.002 0.000 1.174 340 L CA 0.255 55.101 54.840 0.010 0.000 0.869 340 L CB -0.145 41.922 42.059 0.013 0.000 1.130 340 L HN 0.627 nan 8.230 nan 0.000 0.474 341 V N 1.458 121.363 119.914 -0.015 0.000 2.527 341 V HA -0.339 3.779 4.120 -0.002 0.000 0.255 341 V C 2.277 178.345 176.094 -0.043 0.000 1.081 341 V CA 1.731 64.013 62.300 -0.030 0.000 1.092 341 V CB -1.677 30.125 31.823 -0.034 0.000 0.673 341 V HN 0.922 nan 8.190 nan 0.000 0.470 342 A N 0.640 123.442 122.820 -0.030 0.000 1.940 342 A HA -0.177 4.142 4.320 -0.002 0.000 0.219 342 A C 2.351 179.904 177.584 -0.051 0.000 1.176 342 A CA 1.808 53.822 52.037 -0.038 0.000 0.631 342 A CB -0.396 18.596 19.000 -0.013 0.000 0.814 342 A HN 0.526 nan 8.150 nan 0.000 0.446 343 R N -0.117 120.385 120.500 0.003 0.000 2.246 343 R HA 0.100 4.439 4.340 -0.002 0.000 0.199 343 R C 0.435 176.784 176.300 0.082 0.000 0.984 343 R CA -0.012 56.141 56.100 0.087 0.000 1.015 343 R CB -0.497 29.886 30.300 0.138 0.000 0.930 343 R HN 0.660 nan 8.270 nan 0.000 0.475 344 Q N 1.324 121.111 119.800 -0.021 0.000 2.283 344 Q HA -0.065 4.274 4.340 -0.002 0.000 0.301 344 Q C -0.843 175.058 176.000 -0.165 0.000 1.063 344 Q CA 1.020 56.808 55.803 -0.026 0.000 0.952 344 Q CB 0.275 28.984 28.738 -0.048 0.000 1.166 344 Q HN 0.211 nan 8.270 nan 0.000 0.381 345 H N 1.920 120.991 119.070 0.002 0.000 2.727 345 H HA 0.324 4.879 4.556 -0.002 0.000 0.330 345 H C -0.820 174.476 175.328 -0.054 0.000 0.986 345 H CA -0.567 55.485 56.048 0.006 0.000 1.251 345 H CB 0.806 30.599 29.762 0.051 0.000 1.493 345 H HN 0.435 nan 8.280 nan 0.000 0.515 346 I N 1.785 122.353 120.570 -0.003 0.000 2.764 346 I HA 0.173 4.342 4.170 -0.002 0.000 0.294 346 I C 0.357 176.403 176.117 -0.118 0.000 1.045 346 I CA 0.143 61.353 61.300 -0.149 0.000 1.340 346 I CB 0.670 38.550 38.000 -0.201 0.000 1.436 346 I HN 0.597 nan 8.210 nan 0.000 0.567 347 E N 5.442 125.502 120.200 -0.234 0.000 2.448 347 E HA 0.376 4.725 4.350 -0.002 0.000 0.288 347 E C -1.461 175.048 176.600 -0.153 0.000 0.936 347 E CA -0.434 55.889 56.400 -0.128 0.000 0.809 347 E CB 1.028 30.687 29.700 -0.068 0.000 1.408 347 E HN 0.519 nan 8.360 nan 0.000 0.393 348 M N 1.461 121.011 119.600 -0.085 0.000 2.654 348 M HA 0.457 4.936 4.480 -0.002 0.000 0.310 348 M C -0.434 175.874 176.300 0.013 0.000 1.211 348 M CA -0.635 54.654 55.300 -0.019 0.000 0.947 348 M CB 2.217 34.835 32.600 0.031 0.000 1.647 348 M HN 0.340 nan 8.290 nan 0.000 0.481 349 S N -0.599 115.124 115.700 0.040 0.000 2.575 349 S HA 0.474 4.943 4.470 -0.002 0.000 0.278 349 S C 0.088 174.707 174.600 0.032 0.000 1.139 349 S CA -0.670 57.541 58.200 0.019 0.000 0.954 349 S CB 1.307 64.501 63.200 -0.011 0.000 1.054 349 S HN 0.786 nan 8.310 nan 0.000 0.483 350 T N 0.787 115.355 114.554 0.023 0.000 3.023 350 T HA 0.089 4.437 4.350 -0.002 0.000 0.253 350 T C 1.513 176.223 174.700 0.016 0.000 1.038 350 T CA 0.584 62.699 62.100 0.024 0.000 0.962 350 T CB -0.065 68.817 68.868 0.024 0.000 1.018 350 T HN 0.676 nan 8.240 nan 0.000 0.521 351 T N -1.116 113.451 114.554 0.020 0.000 3.037 351 T HA 0.569 4.918 4.350 -0.002 0.000 0.252 351 T C 1.256 175.925 174.700 -0.052 0.000 1.073 351 T CA 0.446 62.574 62.100 0.047 0.000 1.091 351 T CB 0.406 69.346 68.868 0.120 0.000 0.935 351 T HN 0.532 nan 8.240 nan 0.000 0.488 352 G N 0.482 109.160 108.800 -0.203 0.000 2.704 352 G HA2 0.452 4.410 3.960 -0.002 0.000 0.118 352 G HA3 0.452 4.410 3.960 -0.002 0.000 0.118 352 G C -1.525 173.246 174.900 -0.214 0.000 1.197 352 G CA -0.470 44.350 45.100 -0.467 0.000 1.152 352 G HN 0.482 nan 8.290 nan 0.000 0.571 353 W N 0.460 121.529 121.300 -0.385 0.000 2.116 353 W HA 0.705 5.364 4.660 -0.002 0.000 0.374 353 W C -0.204 176.271 176.519 -0.072 0.000 1.445 353 W CA -1.123 56.096 57.345 -0.210 0.000 1.582 353 W CB 0.441 29.715 29.460 -0.309 0.000 1.263 353 W HN 0.292 nan 8.180 nan 0.000 0.683 354 V N 2.613 122.604 119.914 0.128 0.000 2.407 354 V HA 0.718 4.837 4.120 -0.002 0.000 0.278 354 V C 0.761 176.894 176.094 0.065 0.000 1.037 354 V CA -0.184 62.136 62.300 0.033 0.000 0.900 354 V CB -0.101 31.749 31.823 0.045 0.000 0.983 354 V HN 1.371 nan 8.190 nan 0.000 0.459 355 G N 4.524 113.306 108.800 -0.029 0.000 2.880 355 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.617 355 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.617 355 G C 0.451 175.390 174.900 0.065 0.000 1.493 355 G CA 0.250 45.355 45.100 0.009 0.000 0.916 355 G HN 0.724 nan 8.290 nan 0.000 0.553 356 R N -0.106 120.429 120.500 0.058 0.000 2.147 356 R HA -0.084 4.255 4.340 -0.002 0.000 0.225 356 R C 2.151 178.477 176.300 0.042 0.000 1.120 356 R CA 2.373 58.488 56.100 0.025 0.000 0.891 356 R CB -0.357 29.967 30.300 0.041 0.000 0.822 356 R HN 0.501 nan 8.270 nan 0.000 0.433 357 F N -0.267 119.796 119.950 0.188 0.000 2.721 357 F HA 0.246 4.772 4.527 -0.002 0.000 0.301 357 F C 0.957 176.776 175.800 0.031 0.000 1.096 357 F CA -0.257 57.812 58.000 0.116 0.000 1.308 357 F CB 0.504 39.559 39.000 0.092 0.000 1.086 357 F HN 0.114 nan 8.300 nan 0.000 0.587 358 R N -0.620 119.998 120.500 0.197 0.000 3.033 358 R HA 0.246 4.585 4.340 -0.002 0.000 0.284 358 R C -3.482 172.854 176.300 0.059 0.000 0.997 358 R CA -1.442 54.703 56.100 0.075 0.000 0.851 358 R CB 0.187 30.474 30.300 -0.023 0.000 1.297 358 R HN -0.329 nan 8.270 nan 0.000 0.518 359 P HA 0.010 nan 4.420 nan 0.000 0.265 359 P C -0.234 177.058 177.300 -0.013 0.000 1.193 359 P CA 0.116 63.211 63.100 -0.009 0.000 0.765 359 P CB 0.687 32.359 31.700 -0.046 0.000 0.823 360 S N 1.731 117.437 115.700 0.009 0.000 2.563 360 S HA 0.043 4.512 4.470 -0.002 0.000 0.284 360 S C -0.019 174.578 174.600 -0.005 0.000 1.331 360 S CA -0.625 57.595 58.200 0.034 0.000 1.047 360 S CB -0.208 63.030 63.200 0.064 0.000 0.859 360 S HN 0.412 nan 8.310 nan 0.000 0.514 361 E N 2.801 123.023 120.200 0.035 0.000 2.384 361 E HA 0.335 4.684 4.350 -0.002 0.000 0.266 361 E C -2.344 174.280 176.600 0.041 0.000 1.012 361 E CA -1.533 54.871 56.400 0.007 0.000 0.901 361 E CB -0.382 29.344 29.700 0.043 0.000 0.967 361 E HN 0.489 nan 8.360 nan 0.000 0.435 362 P HA 0.143 nan 4.420 nan 0.000 0.286 362 P C -0.944 176.385 177.300 0.049 0.000 1.261 362 P CA -0.350 62.677 63.100 -0.122 0.000 0.821 362 P CB 0.833 32.153 31.700 -0.633 0.000 1.013 363 H N 1.736 120.842 119.070 0.062 0.000 2.505 363 H HA 0.353 4.908 4.556 -0.002 0.000 0.338 363 H C -0.563 174.899 175.328 0.224 0.000 1.057 363 H CA -0.373 55.786 56.048 0.185 0.000 1.202 363 H CB 0.988 30.863 29.762 0.188 0.000 1.466 363 H HN 0.328 nan 8.280 nan 0.000 0.499 364 F N 1.367 121.524 119.950 0.344 0.000 2.432 364 F HA 0.141 4.667 4.527 -0.002 0.000 0.329 364 F C 1.125 177.124 175.800 0.331 0.000 1.076 364 F CA -0.601 57.604 58.000 0.343 0.000 1.018 364 F CB 1.685 40.817 39.000 0.221 0.000 1.201 364 F HN 0.412 nan 8.300 nan 0.000 0.489 365 T N 1.032 115.898 114.554 0.521 0.000 2.910 365 T HA 0.202 4.551 4.350 -0.002 0.000 0.293 365 T C 1.423 176.313 174.700 0.317 0.000 1.015 365 T CA -0.757 61.575 62.100 0.386 0.000 1.094 365 T CB 0.913 69.996 68.868 0.359 0.000 0.968 365 T HN 0.693 nan 8.240 nan 0.000 0.521 366 L N 1.523 122.888 121.223 0.236 0.000 2.119 366 L HA -0.309 4.029 4.340 -0.002 0.000 0.226 366 L C 2.260 179.241 176.870 0.186 0.000 1.093 366 L CA 2.877 57.830 54.840 0.188 0.000 0.806 366 L CB -0.673 41.473 42.059 0.145 0.000 0.902 366 L HN 0.993 nan 8.230 nan 0.000 0.444 367 D N -2.376 118.140 120.400 0.194 0.000 2.347 367 D HA 0.055 4.694 4.640 -0.002 0.000 0.213 367 D C 1.477 177.890 176.300 0.189 0.000 0.985 367 D CA 0.844 54.945 54.000 0.169 0.000 0.879 367 D CB 0.085 40.976 40.800 0.151 0.000 0.919 367 D HN 0.433 nan 8.370 nan 0.000 0.526 368 G N 0.603 109.560 108.800 0.261 0.000 2.234 368 G HA2 -0.370 3.589 3.960 -0.002 0.000 0.260 368 G HA3 -0.370 3.589 3.960 -0.002 0.000 0.260 368 G C 1.015 176.145 174.900 0.385 0.000 0.987 368 G CA 0.380 45.658 45.100 0.297 0.000 0.625 368 G HN 0.375 nan 8.290 nan 0.000 0.532 369 N N 0.741 119.615 118.700 0.291 0.000 2.521 369 N HA 0.160 4.899 4.740 -0.002 0.000 0.188 369 N C 0.897 176.540 175.510 0.223 0.000 1.146 369 N CA 1.344 54.536 53.050 0.236 0.000 0.893 369 N CB 0.329 38.910 38.487 0.157 0.000 0.975 369 N HN 1.088 nan 8.380 nan 0.000 0.451 370 S N -0.436 115.437 115.700 0.288 0.000 2.587 370 S HA 0.709 5.177 4.470 -0.002 0.000 0.269 370 S C -1.095 173.557 174.600 0.087 0.000 1.154 370 S CA -1.026 57.215 58.200 0.068 0.000 0.824 370 S CB 1.450 64.630 63.200 -0.033 0.000 1.118 370 S HN 0.136 nan 8.310 nan 0.000 0.462 371 F N -1.547 118.219 119.950 -0.307 0.000 2.745 371 F HA 0.873 5.399 4.527 -0.002 0.000 0.316 371 F C -2.314 173.331 175.800 -0.257 0.000 1.155 371 F CA -1.489 56.309 58.000 -0.336 0.000 0.937 371 F CB 0.537 38.938 39.000 -0.998 0.000 1.361 371 F HN 0.623 nan 8.300 nan 0.000 0.472 372 Y N 0.945 121.396 120.300 0.252 0.000 2.446 372 Y HA 0.713 5.262 4.550 -0.002 0.000 0.345 372 Y C -0.437 175.611 175.900 0.245 0.000 0.984 372 Y CA -1.078 57.158 58.100 0.227 0.000 1.058 372 Y CB 2.287 40.830 38.460 0.139 0.000 1.220 372 Y HN 0.795 nan 8.280 nan 0.000 0.455 373 K N 3.145 123.752 120.400 0.345 0.000 2.583 373 K HA 0.414 4.733 4.320 -0.002 0.000 0.260 373 K C -1.993 174.732 176.600 0.208 0.000 0.931 373 K CA -0.511 55.913 56.287 0.230 0.000 0.849 373 K CB 1.460 34.025 32.500 0.108 0.000 1.347 373 K HN 0.742 nan 8.250 nan 0.000 0.425 374 I N 3.818 124.476 120.570 0.148 0.000 2.529 374 I HA 0.246 4.415 4.170 -0.002 0.000 0.284 374 I C -0.167 176.038 176.117 0.146 0.000 1.082 374 I CA -0.686 60.695 61.300 0.135 0.000 1.406 374 I CB 0.359 38.407 38.000 0.081 0.000 1.405 374 I HN 0.427 nan 8.210 nan 0.000 0.548 375 I N 4.008 124.705 120.570 0.211 0.000 2.802 375 I HA 0.180 4.349 4.170 -0.002 0.000 0.298 375 I C 0.110 176.348 176.117 0.201 0.000 1.176 375 I CA -0.652 60.781 61.300 0.222 0.000 1.025 375 I CB 2.066 40.250 38.000 0.306 0.000 1.243 375 I HN 0.465 nan 8.210 nan 0.000 0.424 376 S N 4.584 120.338 115.700 0.091 0.000 2.531 376 S HA 0.274 4.743 4.470 -0.002 0.000 0.279 376 S C 0.162 174.799 174.600 0.060 0.000 1.305 376 S CA -0.355 57.843 58.200 -0.003 0.000 1.058 376 S CB -0.250 62.891 63.200 -0.099 0.000 0.899 376 S HN 0.741 nan 8.310 nan 0.000 0.493 377 N N 2.989 121.626 118.700 -0.106 0.000 2.418 377 N HA 0.218 4.957 4.740 -0.002 0.000 0.283 377 N C 0.815 176.255 175.510 -0.117 0.000 1.267 377 N CA -0.783 52.111 53.050 -0.259 0.000 0.975 377 N CB 0.332 38.320 38.487 -0.832 0.000 1.167 377 N HN 0.647 nan 8.380 nan 0.000 0.581 378 E N -0.160 119.978 120.200 -0.102 0.000 2.136 378 E HA -0.266 4.083 4.350 -0.002 0.000 0.202 378 E C 1.029 177.583 176.600 -0.076 0.000 1.019 378 E CA 1.901 58.262 56.400 -0.065 0.000 0.819 378 E CB -0.043 29.618 29.700 -0.065 0.000 0.739 378 E HN 0.596 nan 8.360 nan 0.000 0.458 379 E N -1.417 118.725 120.200 -0.096 0.000 2.511 379 E HA 0.054 4.402 4.350 -0.002 0.000 0.196 379 E C 0.996 177.589 176.600 -0.011 0.000 1.066 379 E CA 0.595 56.986 56.400 -0.015 0.000 0.871 379 E CB 0.476 30.191 29.700 0.025 0.000 0.863 379 E HN 0.401 nan 8.360 nan 0.000 0.520 380 G N -0.165 108.571 108.800 -0.107 0.000 2.159 380 G HA2 -0.320 3.639 3.960 -0.002 0.000 0.256 380 G HA3 -0.320 3.639 3.960 -0.002 0.000 0.256 380 G C -0.369 174.320 174.900 -0.352 0.000 0.977 380 G CA -0.026 44.930 45.100 -0.240 0.000 0.652 380 G HN 0.277 nan 8.290 nan 0.000 0.531 381 Y N 0.351 120.532 120.300 -0.199 0.000 2.323 381 Y HA 0.622 5.171 4.550 -0.002 0.000 0.331 381 Y C 1.222 177.035 175.900 -0.145 0.000 1.092 381 Y CA -0.758 57.236 58.100 -0.177 0.000 1.150 381 Y CB 0.987 39.350 38.460 -0.161 0.000 1.200 381 Y HN 0.079 nan 8.280 nan 0.000 0.472 382 R N 3.654 124.088 120.500 -0.110 0.000 2.234 382 R HA 0.309 4.647 4.340 -0.002 0.000 0.324 382 R C -0.846 175.237 176.300 -0.362 0.000 1.054 382 R CA -0.206 55.804 56.100 -0.151 0.000 0.912 382 R CB 0.267 30.497 30.300 -0.116 0.000 1.030 382 R HN 0.675 nan 8.270 nan 0.000 0.455 383 H N 1.907 120.914 119.070 -0.104 0.000 2.946 383 H HA 0.303 4.858 4.556 -0.002 0.000 0.365 383 H C -0.155 175.230 175.328 0.095 0.000 1.197 383 H CA -0.920 55.049 56.048 -0.132 0.000 1.131 383 H CB 1.888 31.424 29.762 -0.377 0.000 1.849 383 H HN 0.351 nan 8.280 nan 0.000 0.555 384 I N 1.958 122.607 120.570 0.132 0.000 2.389 384 I HA -0.010 4.158 4.170 -0.002 0.000 0.295 384 I C 0.666 176.908 176.117 0.208 0.000 1.117 384 I CA 0.200 61.573 61.300 0.121 0.000 1.317 384 I CB -0.270 37.699 38.000 -0.052 0.000 1.431 384 I HN 0.135 nan 8.210 nan 0.000 0.521 385 c N 7.109 125.802 118.600 0.155 0.000 2.398 385 c HA 0.372 4.941 4.570 -0.002 0.000 0.364 385 c C -0.067 173.931 174.090 -0.154 0.000 1.219 385 c CA -0.306 55.879 56.329 -0.241 0.000 2.312 385 c CB 0.850 42.917 42.510 -0.738 0.000 2.428 385 c HN 0.629 nan 8.230 nan 0.000 0.564 386 Y N 3.121 123.072 120.300 -0.582 0.000 2.377 386 Y HA 0.689 5.237 4.550 -0.003 0.000 0.339 386 Y C -1.193 174.154 175.900 -0.922 0.000 1.011 386 Y CA -1.161 56.518 58.100 -0.702 0.000 1.093 386 Y CB 0.644 38.733 38.460 -0.618 0.000 1.201 386 Y HN 0.610 nan 8.280 nan 0.000 0.455 387 F N 4.301 123.348 119.950 -1.504 0.000 2.518 387 F HA 0.460 4.986 4.527 -0.002 0.000 0.323 387 F C -0.369 174.550 175.800 -1.469 0.000 1.129 387 F CA -0.730 56.370 58.000 -1.500 0.000 0.920 387 F CB 1.980 39.641 39.000 -2.232 0.000 1.160 387 F HN 0.383 nan 8.300 nan 0.000 0.440 388 Q N 3.700 123.010 119.800 -0.816 0.000 2.290 388 Q HA 0.302 4.641 4.340 -0.002 0.000 0.259 388 Q C 0.871 176.760 176.000 -0.185 0.000 0.941 388 Q CA -0.709 54.802 55.803 -0.487 0.000 0.912 388 Q CB 2.437 30.966 28.738 -0.349 0.000 1.244 388 Q HN 0.637 nan 8.270 nan 0.000 0.441 389 I N 2.157 122.707 120.570 -0.033 0.000 2.113 389 I HA -0.325 3.843 4.170 -0.002 0.000 0.242 389 I C 1.385 177.636 176.117 0.222 0.000 1.064 389 I CA 1.852 63.256 61.300 0.173 0.000 1.320 389 I CB -0.325 37.821 38.000 0.243 0.000 1.028 389 I HN 0.761 nan 8.210 nan 0.000 0.406 390 D N 0.404 120.872 120.400 0.112 0.000 2.348 390 D HA -0.069 4.570 4.640 -0.002 0.000 0.216 390 D C 0.637 176.962 176.300 0.042 0.000 0.970 390 D CA 0.696 54.742 54.000 0.075 0.000 0.889 390 D CB 0.435 41.259 40.800 0.040 0.000 0.912 390 D HN 0.293 nan 8.370 nan 0.000 0.524 391 K N 1.104 121.534 120.400 0.051 0.000 2.221 391 K HA 0.269 4.588 4.320 -0.002 0.000 0.243 391 K C 0.234 176.834 176.600 -0.000 0.000 0.968 391 K CA -0.698 55.584 56.287 -0.008 0.000 0.846 391 K CB 1.925 34.388 32.500 -0.062 0.000 1.141 391 K HN -0.040 nan 8.250 nan 0.000 0.434 392 K N 1.076 121.444 120.400 -0.053 0.000 2.258 392 K HA 0.122 4.441 4.320 -0.002 0.000 0.264 392 K C -0.499 176.043 176.600 -0.096 0.000 1.007 392 K CA -0.202 56.045 56.287 -0.067 0.000 0.941 392 K CB 0.314 32.772 32.500 -0.069 0.000 0.966 392 K HN 0.560 nan 8.250 nan 0.000 0.480 393 D N -1.270 119.073 120.400 -0.096 0.000 4.160 393 D HA -0.220 4.418 4.640 -0.002 0.000 0.291 393 D C -0.418 175.651 176.300 -0.385 0.000 2.226 393 D CA 1.014 54.902 54.000 -0.186 0.000 1.157 393 D CB -1.006 39.680 40.800 -0.189 0.000 1.020 393 D HN 1.075 nan 8.370 nan 0.000 1.219 394 c N -2.787 115.443 118.600 -0.617 0.000 3.318 394 c HA 0.769 5.338 4.570 -0.002 0.000 0.322 394 c C -0.443 173.224 174.090 -0.706 0.000 1.398 394 c CA -0.514 55.206 56.329 -1.014 0.000 1.339 394 c CB 1.766 43.033 42.510 -2.072 0.000 1.668 394 c HN 0.653 nan 8.230 nan 0.000 0.462 395 T N 2.163 116.361 114.554 -0.594 0.000 2.770 395 T HA 0.567 4.915 4.350 -0.002 0.000 0.283 395 T C -0.553 173.957 174.700 -0.317 0.000 0.988 395 T CA 0.201 62.114 62.100 -0.312 0.000 0.957 395 T CB 0.133 68.970 68.868 -0.051 0.000 0.930 395 T HN 0.451 nan 8.240 nan 0.000 0.443 396 F N 3.227 123.074 119.950 -0.171 0.000 2.444 396 F HA 0.373 4.899 4.527 -0.003 0.000 0.331 396 F C 1.470 177.142 175.800 -0.215 0.000 1.167 396 F CA -0.665 57.227 58.000 -0.181 0.000 1.262 396 F CB 0.580 39.472 39.000 -0.179 0.000 1.196 396 F HN 0.546 nan 8.300 nan 0.000 0.583 397 I N -1.904 118.660 120.570 -0.011 0.000 4.967 397 I HA 0.205 4.373 4.170 -0.002 0.000 0.361 397 I C -0.300 175.745 176.117 -0.120 0.000 1.230 397 I CA 0.030 61.183 61.300 -0.245 0.000 1.420 397 I CB 0.440 38.005 38.000 -0.724 0.000 1.716 397 I HN 0.498 nan 8.210 nan 0.000 0.578 398 T N 0.614 115.125 114.554 -0.071 0.000 2.924 398 T HA 0.768 5.116 4.350 -0.002 0.000 0.291 398 T C -0.694 173.656 174.700 -0.582 0.000 1.045 398 T CA -0.560 61.490 62.100 -0.084 0.000 1.015 398 T CB 2.527 71.477 68.868 0.136 0.000 1.103 398 T HN 0.471 nan 8.240 nan 0.000 0.496 399 K N -0.268 119.592 120.400 -0.900 0.000 2.660 399 K HA 0.677 4.995 4.320 -0.002 0.000 0.285 399 K C -0.602 175.419 176.600 -0.966 0.000 0.997 399 K CA -1.088 54.371 56.287 -1.379 0.000 0.861 399 K CB 1.151 33.228 32.500 -0.704 0.000 1.469 399 K HN 1.552 nan 8.250 nan 0.000 0.395 400 G N 0.121 108.365 108.800 -0.925 0.000 2.351 400 G HA2 0.090 4.049 3.960 -0.002 0.000 0.353 400 G HA3 0.090 4.049 3.960 -0.002 0.000 0.353 400 G C -0.888 173.511 174.900 -0.836 0.000 1.358 400 G CA -0.446 44.264 45.100 -0.651 0.000 0.995 400 G HN 0.926 nan 8.290 nan 0.000 0.611 401 T N -0.058 114.165 114.554 -0.552 0.000 3.781 401 T HA 0.555 4.904 4.350 -0.002 0.000 0.286 401 T C 0.129 174.753 174.700 -0.127 0.000 1.277 401 T CA 0.657 62.327 62.100 -0.716 0.000 1.136 401 T CB -1.031 67.605 68.868 -0.386 0.000 1.202 401 T HN 1.850 nan 8.240 nan 0.000 0.884 402 W N -0.153 121.053 121.300 -0.157 0.000 3.184 402 W HA 0.352 5.011 4.660 -0.002 0.000 0.334 402 W C -1.832 174.696 176.519 0.014 0.000 1.022 402 W CA -0.803 56.555 57.345 0.023 0.000 1.035 402 W CB 0.300 29.742 29.460 -0.029 0.000 1.446 402 W HN 0.242 nan 8.180 nan 0.000 0.551 403 E N 1.254 121.657 120.200 0.338 0.000 2.227 403 E HA 0.503 4.852 4.350 -0.002 0.000 0.268 403 E C -0.594 176.113 176.600 0.179 0.000 0.907 403 E CA -1.184 55.205 56.400 -0.019 0.000 0.786 403 E CB 3.307 33.060 29.700 0.088 0.000 1.191 403 E HN 0.213 nan 8.360 nan 0.000 0.411 404 V N 2.838 122.670 119.914 -0.136 0.000 2.686 404 V HA -0.002 4.116 4.120 -0.002 0.000 0.295 404 V C 1.106 177.268 176.094 0.112 0.000 1.055 404 V CA 0.323 62.670 62.300 0.078 0.000 1.050 404 V CB 0.866 32.627 31.823 -0.103 0.000 0.984 404 V HN 0.658 nan 8.190 nan 0.000 0.482 405 I N 2.494 123.164 120.570 0.166 0.000 2.429 405 I HA 0.337 4.506 4.170 -0.002 0.000 0.247 405 I C 1.087 177.307 176.117 0.172 0.000 1.099 405 I CA 1.297 62.698 61.300 0.168 0.000 1.422 405 I CB -0.002 38.053 38.000 0.092 0.000 1.112 405 I HN 0.776 nan 8.210 nan 0.000 0.430 406 G N -0.463 108.437 108.800 0.166 0.000 2.673 406 G HA2 0.537 4.496 3.960 -0.002 0.000 0.292 406 G HA3 0.537 4.496 3.960 -0.002 0.000 0.292 406 G C -1.270 173.710 174.900 0.135 0.000 1.450 406 G CA -0.586 44.610 45.100 0.161 0.000 0.837 406 G HN -0.071 nan 8.290 nan 0.000 0.505 407 I N 1.035 121.633 120.570 0.046 0.000 2.428 407 I HA 0.316 4.484 4.170 -0.002 0.000 0.289 407 I C 0.507 176.576 176.117 -0.080 0.000 1.019 407 I CA -0.486 60.702 61.300 -0.188 0.000 1.351 407 I CB 1.717 39.294 38.000 -0.705 0.000 1.412 407 I HN 0.510 nan 8.210 nan 0.000 0.513 408 E N 3.870 124.045 120.200 -0.042 0.000 2.399 408 E HA 0.396 4.745 4.350 -0.002 0.000 0.206 408 E C -0.119 176.429 176.600 -0.087 0.000 0.812 408 E CA 0.210 56.654 56.400 0.073 0.000 1.138 408 E CB 1.188 30.963 29.700 0.126 0.000 1.140 408 E HN 0.690 nan 8.360 nan 0.000 0.536 409 A N 0.469 123.128 122.820 -0.269 0.000 2.601 409 A HA 0.727 5.046 4.320 -0.002 0.000 0.291 409 A C -1.901 175.575 177.584 -0.179 0.000 1.075 409 A CA -0.562 51.242 52.037 -0.387 0.000 0.671 409 A CB 1.259 19.540 19.000 -1.199 0.000 1.277 409 A HN 0.059 nan 8.150 nan 0.000 0.417 410 L N 1.496 122.657 121.223 -0.104 0.000 2.580 410 L HA 0.651 4.990 4.340 -0.002 0.000 0.266 410 L C -0.227 176.662 176.870 0.032 0.000 0.955 410 L CA -0.113 54.724 54.840 -0.005 0.000 0.886 410 L CB 2.143 44.227 42.059 0.041 0.000 1.263 410 L HN 1.176 nan 8.230 nan 0.000 0.406 411 T N -1.331 113.274 114.554 0.086 0.000 2.762 411 T HA 0.281 4.630 4.350 -0.002 0.000 0.272 411 T C 0.933 175.686 174.700 0.088 0.000 0.982 411 T CA 0.029 62.189 62.100 0.099 0.000 1.013 411 T CB 1.480 70.443 68.868 0.158 0.000 1.309 411 T HN 0.513 nan 8.240 nan 0.000 0.572 412 S N -1.040 114.707 115.700 0.079 0.000 2.607 412 S HA 0.061 4.530 4.470 -0.002 0.000 0.224 412 S C 0.244 174.833 174.600 -0.018 0.000 0.969 412 S CA 0.361 58.590 58.200 0.048 0.000 0.927 412 S CB -0.472 62.758 63.200 0.051 0.000 0.772 412 S HN 0.623 nan 8.310 nan 0.000 0.533 413 D N -0.786 119.590 120.400 -0.040 0.000 2.531 413 D HA 0.279 4.918 4.640 -0.002 0.000 0.263 413 D C -0.641 175.330 176.300 -0.547 0.000 1.057 413 D CA 0.551 54.368 54.000 -0.306 0.000 0.909 413 D CB 0.316 40.943 40.800 -0.289 0.000 1.236 413 D HN 0.401 nan 8.370 nan 0.000 0.494 414 Y N 0.025 120.318 120.300 -0.012 0.000 2.545 414 Y HA 0.542 5.091 4.550 -0.002 0.000 0.348 414 Y C -0.666 175.172 175.900 -0.103 0.000 1.002 414 Y CA -0.998 57.041 58.100 -0.101 0.000 1.039 414 Y CB 2.344 40.684 38.460 -0.200 0.000 1.271 414 Y HN -0.264 nan 8.280 nan 0.000 0.467 415 L N 2.758 123.969 121.223 -0.020 0.000 2.333 415 L HA 0.604 4.943 4.340 -0.002 0.000 0.280 415 L C -1.831 175.036 176.870 -0.005 0.000 1.004 415 L CA -0.591 54.212 54.840 -0.061 0.000 0.820 415 L CB 0.796 42.710 42.059 -0.241 0.000 1.247 415 L HN 0.562 nan 8.230 nan 0.000 0.416 416 Y N 4.854 125.080 120.300 -0.124 0.000 2.342 416 Y HA 0.581 5.130 4.550 -0.002 0.000 0.334 416 Y C -0.424 175.461 175.900 -0.025 0.000 1.067 416 Y CA -0.424 57.585 58.100 -0.152 0.000 1.128 416 Y CB 1.343 39.553 38.460 -0.416 0.000 1.200 416 Y HN 0.539 nan 8.280 nan 0.000 0.464 417 Y N 0.450 120.782 120.300 0.054 0.000 2.689 417 Y HA 0.768 5.317 4.550 -0.002 0.000 0.333 417 Y C -1.930 174.020 175.900 0.082 0.000 1.208 417 Y CA -1.770 56.353 58.100 0.039 0.000 1.055 417 Y CB 1.108 39.570 38.460 0.003 0.000 1.304 417 Y HN 0.307 nan 8.280 nan 0.000 0.455 418 I N 2.833 123.555 120.570 0.254 0.000 2.441 418 I HA 0.641 4.809 4.170 -0.002 0.000 0.295 418 I C -0.203 176.046 176.117 0.220 0.000 0.994 418 I CA -0.439 60.940 61.300 0.132 0.000 1.144 418 I CB 1.737 39.793 38.000 0.093 0.000 1.314 418 I HN 0.860 nan 8.210 nan 0.000 0.445 419 S N 4.172 119.926 115.700 0.091 0.000 2.671 419 S HA 0.406 4.875 4.470 -0.002 0.000 0.277 419 S C -0.570 173.984 174.600 -0.076 0.000 1.165 419 S CA -0.868 57.355 58.200 0.037 0.000 0.822 419 S CB 1.900 65.028 63.200 -0.121 0.000 1.150 419 S HN 0.781 nan 8.310 nan 0.000 0.479 420 N N -0.282 118.371 118.700 -0.079 0.000 2.467 420 N HA 0.213 4.951 4.740 -0.002 0.000 0.278 420 N C 0.682 176.081 175.510 -0.185 0.000 1.306 420 N CA -0.428 52.566 53.050 -0.093 0.000 0.905 420 N CB 0.536 38.994 38.487 -0.049 0.000 1.236 420 N HN 0.725 nan 8.380 nan 0.000 0.509 421 E N 0.582 120.471 120.200 -0.518 0.000 2.047 421 E HA -0.214 4.135 4.350 -0.002 0.000 0.191 421 E C -0.250 176.197 176.600 -0.255 0.000 0.987 421 E CA 0.476 56.386 56.400 -0.817 0.000 0.799 421 E CB -0.053 28.740 29.700 -1.512 0.000 0.752 421 E HN 0.429 nan 8.360 nan 0.000 0.449 422 Y N 2.346 122.530 120.300 -0.193 0.000 2.887 422 Y HA -0.206 4.342 4.550 -0.002 0.000 0.350 422 Y C 0.111 175.982 175.900 -0.049 0.000 1.294 422 Y CA 1.086 59.143 58.100 -0.071 0.000 1.622 422 Y CB -0.156 38.291 38.460 -0.022 0.000 1.201 422 Y HN 0.109 nan 8.280 nan 0.000 0.546 423 K N 3.278 123.493 120.400 -0.309 0.000 3.035 423 K HA -0.234 4.085 4.320 -0.002 0.000 0.262 423 K C 0.806 177.405 176.600 -0.001 0.000 1.024 423 K CA 0.658 56.827 56.287 -0.197 0.000 0.748 423 K CB -2.065 30.285 32.500 -0.250 0.000 1.247 423 K HN 1.245 nan 8.250 nan 0.000 0.482 424 G N 0.700 109.503 108.800 0.005 0.000 2.422 424 G HA2 -0.328 3.631 3.960 -0.002 0.000 0.301 424 G HA3 -0.328 3.631 3.960 -0.002 0.000 0.301 424 G C 0.025 174.982 174.900 0.095 0.000 0.981 424 G CA 0.862 46.015 45.100 0.089 0.000 0.994 424 G HN 0.448 nan 8.290 nan 0.000 0.514 425 M N 0.069 119.629 119.600 -0.067 0.000 2.131 425 M HA 0.251 4.729 4.480 -0.002 0.000 0.345 425 M C -1.399 174.699 176.300 -0.336 0.000 1.060 425 M CA -2.198 52.910 55.300 -0.321 0.000 1.011 425 M CB 1.768 34.272 32.600 -0.160 0.000 1.328 425 M HN -0.078 nan 8.290 nan 0.000 0.396 426 P HA -0.017 nan 4.420 nan 0.000 0.221 426 P C 1.007 178.172 177.300 -0.225 0.000 1.150 426 P CA 0.836 63.777 63.100 -0.264 0.000 0.800 426 P CB 0.194 31.731 31.700 -0.271 0.000 0.787 427 G N -0.669 107.939 108.800 -0.320 0.000 3.496 427 G HA2 0.411 4.370 3.960 -0.002 0.000 0.273 427 G HA3 0.411 4.370 3.960 -0.002 0.000 0.273 427 G C 0.371 175.283 174.900 0.021 0.000 1.279 427 G CA -0.017 45.017 45.100 -0.111 0.000 1.041 427 G HN 0.377 nan 8.290 nan 0.000 0.539 428 G N -0.182 108.572 108.800 -0.076 0.000 2.605 428 G HA2 0.722 4.681 3.960 -0.002 0.000 0.296 428 G HA3 0.722 4.681 3.960 -0.002 0.000 0.296 428 G C -1.127 173.629 174.900 -0.239 0.000 1.304 428 G CA -0.899 44.165 45.100 -0.059 0.000 0.941 428 G HN 0.158 nan 8.290 nan 0.000 0.475 429 R N 0.898 121.220 120.500 -0.297 0.000 2.548 429 R HA 0.414 4.753 4.340 -0.002 0.000 0.280 429 R C -1.436 174.812 176.300 -0.087 0.000 1.061 429 R CA -0.826 55.093 56.100 -0.300 0.000 0.915 429 R CB 2.206 32.125 30.300 -0.634 0.000 1.210 429 R HN 0.638 nan 8.270 nan 0.000 0.442 430 N N 1.636 120.322 118.700 -0.025 0.000 2.357 430 N HA 0.403 5.142 4.740 -0.002 0.000 0.284 430 N C -1.166 174.295 175.510 -0.081 0.000 1.236 430 N CA -0.855 52.147 53.050 -0.079 0.000 0.774 430 N CB 2.785 41.153 38.487 -0.198 0.000 1.534 430 N HN 0.320 nan 8.380 nan 0.000 0.478 431 L N 1.337 122.386 121.223 -0.290 0.000 2.289 431 L HA 0.511 4.850 4.340 -0.002 0.000 0.285 431 L C -1.477 175.163 176.870 -0.384 0.000 1.049 431 L CA -0.127 54.572 54.840 -0.235 0.000 0.804 431 L CB 0.279 42.214 42.059 -0.207 0.000 1.195 431 L HN 0.410 nan 8.230 nan 0.000 0.428 432 Y N 3.481 123.423 120.300 -0.596 0.000 2.570 432 Y HA 0.594 5.143 4.550 -0.002 0.000 0.345 432 Y C -0.288 175.210 175.900 -0.670 0.000 1.014 432 Y CA -0.809 56.878 58.100 -0.688 0.000 1.063 432 Y CB 1.956 39.825 38.460 -0.984 0.000 1.272 432 Y HN 0.470 nan 8.280 nan 0.000 0.477 433 K N 2.595 122.801 120.400 -0.323 0.000 2.316 433 K HA 0.688 5.006 4.320 -0.002 0.000 0.251 433 K C -1.472 175.131 176.600 0.004 0.000 0.934 433 K CA -0.670 55.408 56.287 -0.347 0.000 0.802 433 K CB 1.791 33.938 32.500 -0.588 0.000 1.171 433 K HN 0.573 nan 8.250 nan 0.000 0.426 434 I N 0.484 121.117 120.570 0.105 0.000 2.474 434 I HA 0.341 4.510 4.170 -0.002 0.000 0.294 434 I C -0.319 175.890 176.117 0.153 0.000 1.005 434 I CA -1.056 60.352 61.300 0.179 0.000 1.113 434 I CB 1.773 39.865 38.000 0.155 0.000 1.289 434 I HN 0.444 nan 8.210 nan 0.000 0.436 435 Q N 4.123 123.991 119.800 0.113 0.000 2.294 435 Q HA 0.321 4.660 4.340 -0.002 0.000 0.257 435 Q C 0.587 176.561 176.000 -0.043 0.000 0.955 435 Q CA -0.388 55.350 55.803 -0.108 0.000 0.936 435 Q CB 1.442 30.128 28.738 -0.087 0.000 1.188 435 Q HN 0.785 nan 8.270 nan 0.000 0.420 436 L N 2.022 123.152 121.223 -0.154 0.000 2.131 436 L HA -0.194 4.145 4.340 -0.002 0.000 0.210 436 L C 1.999 178.789 176.870 -0.133 0.000 1.092 436 L CA 1.551 56.373 54.840 -0.029 0.000 0.759 436 L CB -0.318 41.687 42.059 -0.090 0.000 0.903 436 L HN 0.661 nan 8.230 nan 0.000 0.435 437 S N -2.907 112.669 115.700 -0.206 0.000 2.524 437 S HA 0.005 4.474 4.470 -0.002 0.000 0.216 437 S C 0.452 174.878 174.600 -0.290 0.000 0.987 437 S CA -0.134 57.922 58.200 -0.241 0.000 0.909 437 S CB 0.227 63.321 63.200 -0.176 0.000 0.781 437 S HN 0.290 nan 8.310 nan 0.000 0.521 438 D N -0.084 120.175 120.400 -0.235 0.000 2.319 438 D HA 0.261 4.900 4.640 -0.002 0.000 0.237 438 D C -0.502 175.782 176.300 -0.027 0.000 1.353 438 D CA -0.577 53.316 54.000 -0.179 0.000 0.992 438 D CB 0.331 41.074 40.800 -0.095 0.000 1.368 438 D HN -0.062 nan 8.370 nan 0.000 0.564 439 Y N 1.054 121.336 120.300 -0.031 0.000 2.483 439 Y HA -0.109 4.440 4.550 -0.002 0.000 0.291 439 Y C 2.376 178.289 175.900 0.021 0.000 1.143 439 Y CA 1.154 59.249 58.100 -0.007 0.000 1.289 439 Y CB -0.806 37.649 38.460 -0.008 0.000 0.983 439 Y HN 0.351 nan 8.280 nan 0.000 0.556 440 T N -1.321 113.319 114.554 0.143 0.000 2.951 440 T HA -0.060 4.289 4.350 -0.002 0.000 0.268 440 T C 0.728 175.487 174.700 0.100 0.000 1.073 440 T CA 0.485 62.647 62.100 0.104 0.000 1.134 440 T CB -0.066 68.836 68.868 0.057 0.000 0.884 440 T HN 0.117 nan 8.240 nan 0.000 0.479 441 K N 2.701 123.156 120.400 0.093 0.000 2.250 441 K HA 0.451 4.770 4.320 -0.002 0.000 0.285 441 K C -1.147 175.530 176.600 0.128 0.000 1.097 441 K CA -0.160 56.182 56.287 0.093 0.000 0.913 441 K CB 1.185 33.729 32.500 0.074 0.000 1.179 441 K HN 0.090 nan 8.250 nan 0.000 0.462 442 V N 2.983 122.975 119.914 0.129 0.000 2.407 442 V HA 0.188 4.306 4.120 -0.002 0.000 0.291 442 V C -0.101 176.056 176.094 0.105 0.000 1.018 442 V CA -0.753 61.642 62.300 0.159 0.000 0.842 442 V CB 1.655 33.612 31.823 0.225 0.000 0.996 442 V HN 0.617 nan 8.190 nan 0.000 0.426 443 T N 3.613 118.183 114.554 0.026 0.000 2.771 443 T HA 0.240 4.589 4.350 -0.002 0.000 0.281 443 T C -0.103 174.440 174.700 -0.261 0.000 0.982 443 T CA -0.234 61.811 62.100 -0.092 0.000 0.978 443 T CB 1.197 69.987 68.868 -0.129 0.000 0.930 443 T HN 0.763 nan 8.240 nan 0.000 0.447 444 C N 4.976 124.028 119.300 -0.414 0.000 2.585 444 C HA 0.324 4.783 4.460 -0.002 0.000 0.406 444 C C 1.690 176.325 174.990 -0.592 0.000 1.312 444 C CA -0.472 58.016 59.018 -0.884 0.000 1.924 444 C CB -1.383 25.816 27.740 -0.901 0.000 2.578 444 C HN 0.934 nan 8.230 nan 0.000 0.580 445 L N 4.279 125.126 121.223 -0.626 0.000 2.463 445 L HA 0.075 4.414 4.340 -0.002 0.000 0.219 445 L C 2.207 178.804 176.870 -0.454 0.000 1.088 445 L CA 1.068 55.663 54.840 -0.409 0.000 0.849 445 L CB -0.127 41.748 42.059 -0.308 0.000 1.012 445 L HN 0.927 nan 8.230 nan 0.000 0.468 446 S N -2.879 112.447 115.700 -0.624 0.000 2.554 446 S HA -0.046 4.422 4.470 -0.002 0.000 0.227 446 S C 1.966 176.264 174.600 -0.502 0.000 1.050 446 S CA -0.043 57.705 58.200 -0.753 0.000 0.927 446 S CB -0.300 62.045 63.200 -1.425 0.000 0.859 446 S HN 0.283 nan 8.310 nan 0.000 0.494 447 C N 2.534 121.484 119.300 -0.583 0.000 2.375 447 C HA -0.076 4.382 4.460 -0.002 0.000 0.274 447 C C 2.474 177.226 174.990 -0.396 0.000 1.190 447 C CA 1.310 59.902 59.018 -0.711 0.000 1.775 447 C CB -0.942 26.234 27.740 -0.940 0.000 2.067 447 C HN 0.585 nan 8.230 nan 0.000 0.463 448 E N -0.022 120.026 120.200 -0.253 0.000 2.481 448 E HA 0.187 4.536 4.350 -0.002 0.000 0.198 448 E C 1.927 178.487 176.600 -0.067 0.000 1.027 448 E CA -0.016 56.317 56.400 -0.112 0.000 0.900 448 E CB -0.301 29.351 29.700 -0.079 0.000 0.993 448 E HN 0.626 nan 8.360 nan 0.000 0.482 449 L N 0.637 121.815 121.223 -0.075 0.000 2.013 449 L HA -0.153 4.186 4.340 -0.002 0.000 0.212 449 L C 1.071 177.952 176.870 0.019 0.000 1.073 449 L CA 1.217 56.052 54.840 -0.008 0.000 0.753 449 L CB -0.124 41.947 42.059 0.022 0.000 0.890 449 L HN 0.050 nan 8.230 nan 0.000 0.432 450 N N -1.703 117.017 118.700 0.033 0.000 2.639 450 N HA 0.109 4.848 4.740 -0.002 0.000 0.265 450 N C -2.049 173.468 175.510 0.012 0.000 1.689 450 N CA -0.467 52.593 53.050 0.017 0.000 0.813 450 N CB 1.004 39.497 38.487 0.011 0.000 1.353 450 N HN -0.034 nan 8.380 nan 0.000 0.510 451 P HA -0.166 nan 4.420 nan 0.000 0.217 451 P C 0.889 178.213 177.300 0.041 0.000 1.148 451 P CA 1.518 64.645 63.100 0.045 0.000 0.834 451 P CB 0.682 32.422 31.700 0.067 0.000 0.783 452 E N -0.941 119.266 120.200 0.012 0.000 2.140 452 E HA -0.021 4.327 4.350 -0.002 0.000 0.191 452 E C 2.243 178.826 176.600 -0.028 0.000 0.973 452 E CA 0.652 57.051 56.400 -0.002 0.000 0.829 452 E CB -0.640 29.054 29.700 -0.010 0.000 0.781 452 E HN 0.192 nan 8.360 nan 0.000 0.466 453 R N -0.831 119.639 120.500 -0.049 0.000 2.093 453 R HA 0.094 4.432 4.340 -0.002 0.000 0.224 453 R C -0.004 176.231 176.300 -0.107 0.000 1.101 453 R CA 0.894 56.940 56.100 -0.091 0.000 0.979 453 R CB 0.157 30.394 30.300 -0.104 0.000 0.877 453 R HN 0.041 nan 8.270 nan 0.000 0.441 454 c N 1.139 119.685 118.600 -0.090 0.000 2.521 454 c HA 0.365 4.934 4.570 -0.002 0.000 0.291 454 c C -0.412 173.619 174.090 -0.098 0.000 1.074 454 c CA -0.660 55.564 56.329 -0.174 0.000 1.495 454 c CB 0.904 43.280 42.510 -0.223 0.000 1.862 454 c HN 0.527 nan 8.230 nan 0.000 0.418 455 Q N 0.616 120.384 119.800 -0.054 0.000 2.157 455 Q HA 0.250 4.589 4.340 -0.002 0.000 0.229 455 Q C -0.827 175.220 176.000 0.078 0.000 0.827 455 Q CA 0.078 55.908 55.803 0.044 0.000 1.055 455 Q CB 0.976 29.771 28.738 0.094 0.000 1.157 455 Q HN 0.752 nan 8.270 nan 0.000 0.482 456 Y N 0.274 120.462 120.300 -0.187 0.000 2.379 456 Y HA 0.306 4.854 4.550 -0.002 0.000 0.342 456 Y C -1.811 173.944 175.900 -0.242 0.000 1.126 456 Y CA -1.141 56.873 58.100 -0.142 0.000 1.310 456 Y CB 0.523 38.914 38.460 -0.115 0.000 1.115 456 Y HN -0.018 nan 8.280 nan 0.000 0.505 457 Y N 2.072 122.294 120.300 -0.129 0.000 2.420 457 Y HA 0.642 5.191 4.550 -0.002 0.000 0.334 457 Y C 0.498 176.345 175.900 -0.088 0.000 1.094 457 Y CA -0.463 57.586 58.100 -0.086 0.000 1.126 457 Y CB 2.099 40.485 38.460 -0.124 0.000 1.217 457 Y HN 0.477 nan 8.280 nan 0.000 0.462 458 S N 1.349 117.151 115.700 0.170 0.000 2.677 458 S HA 0.865 5.334 4.470 -0.002 0.000 0.304 458 S C -1.383 173.318 174.600 0.168 0.000 1.108 458 S CA -0.667 57.623 58.200 0.150 0.000 0.944 458 S CB 1.808 65.101 63.200 0.155 0.000 1.127 458 S HN 0.662 nan 8.310 nan 0.000 0.511 459 V N 0.288 120.305 119.914 0.172 0.000 3.141 459 V HA 0.900 5.018 4.120 -0.002 0.000 0.312 459 V C -1.118 175.114 176.094 0.230 0.000 1.157 459 V CA -0.284 62.114 62.300 0.162 0.000 1.041 459 V CB 2.196 34.081 31.823 0.104 0.000 1.071 459 V HN 1.243 nan 8.190 nan 0.000 0.441 460 S N 3.305 119.139 115.700 0.222 0.000 2.733 460 S HA 0.664 5.132 4.470 -0.002 0.000 0.294 460 S C -1.185 173.645 174.600 0.384 0.000 1.149 460 S CA -0.440 57.984 58.200 0.373 0.000 1.034 460 S CB 0.549 63.995 63.200 0.411 0.000 1.015 460 S HN 0.545 nan 8.310 nan 0.000 0.486 461 F N 3.024 123.104 119.950 0.216 0.000 2.371 461 F HA 0.474 5.000 4.527 -0.002 0.000 0.329 461 F C 1.396 176.909 175.800 -0.479 0.000 1.107 461 F CA -0.195 57.783 58.000 -0.037 0.000 1.137 461 F CB 1.474 40.390 39.000 -0.140 0.000 1.214 461 F HN 0.676 nan 8.300 nan 0.000 0.536 462 S N 2.160 117.369 115.700 -0.819 0.000 2.655 462 S HA 0.355 4.823 4.470 -0.002 0.000 0.265 462 S C -0.255 174.146 174.600 -0.332 0.000 1.240 462 S CA -1.170 56.286 58.200 -1.239 0.000 0.986 462 S CB 0.682 63.048 63.200 -1.390 0.000 0.985 462 S HN 0.378 nan 8.310 nan 0.000 0.562 463 K N 1.265 121.580 120.400 -0.142 0.000 2.469 463 K HA 0.064 4.382 4.320 -0.002 0.000 0.274 463 K C 0.963 177.562 176.600 -0.002 0.000 0.983 463 K CA 0.489 56.779 56.287 0.005 0.000 0.974 463 K CB -0.182 32.362 32.500 0.073 0.000 0.913 463 K HN 0.869 nan 8.250 nan 0.000 0.493 464 E N -0.061 120.152 120.200 0.022 0.000 3.812 464 E HA -0.351 3.998 4.350 -0.002 0.000 0.321 464 E C -0.048 176.540 176.600 -0.021 0.000 0.674 464 E CA 1.311 57.722 56.400 0.017 0.000 1.113 464 E CB -0.979 28.743 29.700 0.037 0.000 1.602 464 E HN 0.849 nan 8.360 nan 0.000 0.440 465 A N -0.567 122.230 122.820 -0.039 0.000 3.095 465 A HA -0.276 4.043 4.320 -0.002 0.000 0.248 465 A C 1.198 178.762 177.584 -0.033 0.000 1.369 465 A CA 1.697 53.718 52.037 -0.026 0.000 0.843 465 A CB -1.300 17.563 19.000 -0.228 0.000 1.064 465 A HN 0.203 nan 8.150 nan 0.000 0.636 466 K N -1.512 118.833 120.400 -0.093 0.000 2.103 466 K HA 0.087 4.406 4.320 -0.002 0.000 0.204 466 K C 0.460 176.677 176.600 -0.637 0.000 1.052 466 K CA 1.728 57.808 56.287 -0.344 0.000 0.945 466 K CB -0.101 32.237 32.500 -0.270 0.000 0.722 466 K HN 0.795 nan 8.250 nan 0.000 0.443 467 Y N -1.308 118.967 120.300 -0.042 0.000 2.677 467 Y HA 0.384 4.933 4.550 -0.002 0.000 0.334 467 Y C -0.556 175.305 175.900 -0.065 0.000 1.154 467 Y CA -1.739 56.336 58.100 -0.040 0.000 1.070 467 Y CB 1.542 39.971 38.460 -0.051 0.000 1.294 467 Y HN 0.013 nan 8.280 nan 0.000 0.475 468 Y N -1.420 118.868 120.300 -0.020 0.000 2.624 468 Y HA 0.499 5.047 4.550 -0.002 0.000 0.334 468 Y C -1.528 174.407 175.900 0.059 0.000 1.155 468 Y CA -1.553 56.403 58.100 -0.240 0.000 1.046 468 Y CB 1.496 39.255 38.460 -1.169 0.000 1.316 468 Y HN 0.599 nan 8.280 nan 0.000 0.457 469 Q N 2.895 122.831 119.800 0.227 0.000 2.325 469 Q HA 0.581 4.920 4.340 -0.002 0.000 0.262 469 Q C -1.737 174.317 176.000 0.089 0.000 0.968 469 Q CA -0.671 55.218 55.803 0.143 0.000 0.877 469 Q CB 1.298 30.129 28.738 0.154 0.000 1.253 469 Q HN 0.912 nan 8.270 nan 0.000 0.448 470 L N 3.999 125.228 121.223 0.012 0.000 2.334 470 L HA 0.540 4.878 4.340 -0.002 0.000 0.277 470 L C -0.279 176.646 176.870 0.091 0.000 1.075 470 L CA -0.563 54.292 54.840 0.024 0.000 0.804 470 L CB 1.177 43.126 42.059 -0.183 0.000 1.174 470 L HN 0.672 nan 8.230 nan 0.000 0.438 471 R N 2.719 123.297 120.500 0.129 0.000 2.483 471 R HA 0.443 4.781 4.340 -0.002 0.000 0.303 471 R C -1.431 174.734 176.300 -0.224 0.000 0.987 471 R CA -0.468 55.554 56.100 -0.131 0.000 0.881 471 R CB 1.190 31.478 30.300 -0.021 0.000 1.177 471 R HN 0.574 nan 8.270 nan 0.000 0.451 472 c N 3.769 122.076 118.600 -0.488 0.000 2.322 472 c HA 0.640 5.208 4.570 -0.002 0.000 0.324 472 c C 0.598 174.446 174.090 -0.404 0.000 1.284 472 c CA -0.172 55.802 56.329 -0.592 0.000 1.606 472 c CB 1.096 43.206 42.510 -0.666 0.000 2.251 472 c HN 1.006 nan 8.230 nan 0.000 0.502 473 S N 3.423 118.976 115.700 -0.246 0.000 2.603 473 S HA 0.623 5.091 4.470 -0.002 0.000 0.232 473 S C 0.510 175.054 174.600 -0.093 0.000 1.016 473 S CA 0.227 58.350 58.200 -0.129 0.000 0.976 473 S CB 0.466 63.627 63.200 -0.066 0.000 0.921 473 S HN 1.680 nan 8.310 nan 0.000 0.516 474 G N 2.058 110.782 108.800 -0.126 0.000 2.341 474 G HA2 0.315 4.274 3.960 -0.002 0.000 0.293 474 G HA3 0.315 4.274 3.960 -0.002 0.000 0.293 474 G C -3.067 171.795 174.900 -0.064 0.000 1.298 474 G CA -0.553 44.501 45.100 -0.077 0.000 0.868 474 G HN -0.146 nan 8.290 nan 0.000 0.540 475 P HA 0.172 nan 4.420 nan 0.000 0.245 475 P C 1.141 178.405 177.300 -0.061 0.000 1.212 475 P CA 1.147 64.248 63.100 0.002 0.000 0.774 475 P CB 0.332 32.038 31.700 0.009 0.000 0.999 476 G N 0.252 108.951 108.800 -0.169 0.000 2.543 476 G HA2 0.441 4.400 3.960 -0.002 0.000 0.290 476 G HA3 0.441 4.400 3.960 -0.002 0.000 0.290 476 G C -0.211 174.376 174.900 -0.521 0.000 1.310 476 G CA -0.768 44.136 45.100 -0.327 0.000 1.025 476 G HN 0.035 nan 8.290 nan 0.000 0.502 477 L N 0.781 121.626 121.223 -0.630 0.000 2.482 477 L HA 0.135 4.474 4.340 -0.002 0.000 0.273 477 L C -1.757 174.941 176.870 -0.287 0.000 1.228 477 L CA -1.176 53.318 54.840 -0.577 0.000 0.827 477 L CB 0.156 41.976 42.059 -0.399 0.000 1.099 477 L HN 0.245 nan 8.230 nan 0.000 0.494 478 P HA -0.007 nan 4.420 nan 0.000 0.266 478 P C -0.895 176.305 177.300 -0.167 0.000 1.180 478 P CA 0.504 63.520 63.100 -0.141 0.000 0.765 478 P CB 0.417 32.146 31.700 0.049 0.000 0.806 479 L N 3.297 124.320 121.223 -0.334 0.000 2.470 479 L HA 0.416 4.755 4.340 -0.002 0.000 0.268 479 L C -1.367 175.249 176.870 -0.423 0.000 0.964 479 L CA -0.696 53.998 54.840 -0.243 0.000 0.839 479 L CB 1.475 43.423 42.059 -0.185 0.000 1.276 479 L HN 0.362 nan 8.230 nan 0.000 0.403 480 Y N 1.763 122.004 120.300 -0.098 0.000 2.326 480 Y HA 0.529 5.077 4.550 -0.002 0.000 0.331 480 Y C 0.363 176.145 175.900 -0.196 0.000 0.962 480 Y CA -0.599 57.420 58.100 -0.135 0.000 1.167 480 Y CB 2.222 40.567 38.460 -0.191 0.000 1.148 480 Y HN 0.485 nan 8.280 nan 0.000 0.463 481 T N 1.346 115.911 114.554 0.019 0.000 2.906 481 T HA 0.663 5.011 4.350 -0.002 0.000 0.295 481 T C -1.520 173.243 174.700 0.106 0.000 1.075 481 T CA -0.932 61.191 62.100 0.039 0.000 1.005 481 T CB 2.009 70.996 68.868 0.199 0.000 1.136 481 T HN 0.452 nan 8.240 nan 0.000 0.498 482 L N 1.899 123.152 121.223 0.050 0.000 2.341 482 L HA 0.618 4.957 4.340 -0.002 0.000 0.278 482 L C -1.319 175.516 176.870 -0.058 0.000 1.005 482 L CA -0.518 54.357 54.840 0.058 0.000 0.818 482 L CB 1.531 43.579 42.059 -0.019 0.000 1.259 482 L HN 0.918 nan 8.230 nan 0.000 0.418 483 H N 1.002 119.842 119.070 -0.383 0.000 2.821 483 H HA 0.414 4.969 4.556 -0.002 0.000 0.373 483 H C -0.614 174.406 175.328 -0.513 0.000 1.165 483 H CA -0.543 55.161 56.048 -0.573 0.000 1.154 483 H CB 2.106 31.276 29.762 -0.986 0.000 1.765 483 H HN 0.429 nan 8.280 nan 0.000 0.549 484 S N 0.405 116.002 115.700 -0.172 0.000 2.456 484 S HA 0.231 4.699 4.470 -0.002 0.000 0.316 484 S C 0.323 174.909 174.600 -0.022 0.000 1.089 484 S CA -0.585 57.581 58.200 -0.055 0.000 1.101 484 S CB 0.492 63.721 63.200 0.048 0.000 0.995 484 S HN 0.631 nan 8.310 nan 0.000 0.468 485 S N 3.810 119.554 115.700 0.072 0.000 2.595 485 S HA -0.041 4.428 4.470 -0.002 0.000 0.235 485 S C 1.590 176.231 174.600 0.068 0.000 0.974 485 S CA 0.371 58.724 58.200 0.254 0.000 0.942 485 S CB -0.442 62.896 63.200 0.230 0.000 0.766 485 S HN 0.601 nan 8.310 nan 0.000 0.536 486 V N 3.009 122.902 119.914 -0.035 0.000 2.255 486 V HA -0.167 3.952 4.120 -0.002 0.000 0.243 486 V C 1.451 177.542 176.094 -0.006 0.000 1.038 486 V CA 2.022 64.305 62.300 -0.030 0.000 1.008 486 V CB -0.754 31.030 31.823 -0.064 0.000 0.645 486 V HN 0.653 nan 8.190 nan 0.000 0.449 487 N N -1.451 117.244 118.700 -0.009 0.000 2.177 487 N HA 0.145 4.884 4.740 -0.002 0.000 0.218 487 N C -0.466 175.041 175.510 -0.004 0.000 1.182 487 N CA 0.162 53.205 53.050 -0.012 0.000 0.882 487 N CB 0.606 39.087 38.487 -0.010 0.000 1.052 487 N HN 0.242 nan 8.380 nan 0.000 0.519 488 D N 0.253 120.671 120.400 0.032 0.000 2.947 488 D HA -0.173 4.466 4.640 -0.002 0.000 0.224 488 D C -0.203 176.112 176.300 0.025 0.000 1.132 488 D CA 0.800 54.851 54.000 0.085 0.000 0.801 488 D CB -0.928 39.925 40.800 0.089 0.000 1.097 488 D HN 0.487 nan 8.370 nan 0.000 0.431 489 K N 0.206 120.591 120.400 -0.025 0.000 2.344 489 K HA 0.244 4.563 4.320 -0.002 0.000 0.260 489 K C 0.967 177.465 176.600 -0.171 0.000 0.988 489 K CA 0.885 57.128 56.287 -0.072 0.000 0.909 489 K CB 0.419 32.882 32.500 -0.062 0.000 0.968 489 K HN 0.162 nan 8.250 nan 0.000 0.505 490 G N 3.595 112.256 108.800 -0.231 0.000 4.373 490 G HA2 0.209 4.168 3.960 -0.002 0.000 0.337 490 G HA3 0.209 4.168 3.960 -0.002 0.000 0.337 490 G C 0.831 175.516 174.900 -0.360 0.000 1.442 490 G CA -0.447 44.375 45.100 -0.463 0.000 1.150 490 G HN 0.607 nan 8.290 nan 0.000 0.517 491 L N -0.179 120.852 121.223 -0.320 0.000 1.951 491 L HA -0.035 4.304 4.340 -0.002 0.000 0.222 491 L C 1.534 178.307 176.870 -0.161 0.000 1.078 491 L CA 1.346 56.076 54.840 -0.183 0.000 0.778 491 L CB -0.126 41.857 42.059 -0.126 0.000 0.893 491 L HN 0.389 nan 8.230 nan 0.000 0.436 492 R N -1.557 118.829 120.500 -0.191 0.000 2.604 492 R HA 0.439 4.777 4.340 -0.002 0.000 0.270 492 R C -1.651 174.556 176.300 -0.156 0.000 1.052 492 R CA -0.473 55.547 56.100 -0.134 0.000 0.902 492 R CB 2.133 32.375 30.300 -0.098 0.000 1.233 492 R HN -0.219 nan 8.270 nan 0.000 0.455 493 V N 6.651 126.483 119.914 -0.137 0.000 2.348 493 V HA 0.176 4.294 4.120 -0.002 0.000 0.270 493 V C 1.201 177.150 176.094 -0.242 0.000 1.037 493 V CA -0.256 61.953 62.300 -0.151 0.000 0.872 493 V CB 1.114 32.877 31.823 -0.100 0.000 1.002 493 V HN 0.724 nan 8.190 nan 0.000 0.464 494 L N 2.667 123.641 121.223 -0.414 0.000 1.982 494 L HA 0.167 4.506 4.340 -0.002 0.000 0.206 494 L C 0.949 177.440 176.870 -0.632 0.000 1.078 494 L CA 1.124 55.445 54.840 -0.866 0.000 0.749 494 L CB -0.108 40.871 42.059 -1.799 0.000 0.894 494 L HN 0.568 nan 8.230 nan 0.000 0.436 495 E N -0.066 119.894 120.200 -0.401 0.000 2.293 495 E HA 0.158 4.506 4.350 -0.002 0.000 0.270 495 E C -1.062 175.558 176.600 0.033 0.000 0.879 495 E CA -0.485 55.861 56.400 -0.089 0.000 0.756 495 E CB 1.594 31.299 29.700 0.009 0.000 1.208 495 E HN 0.276 nan 8.360 nan 0.000 0.428 496 D N 3.265 123.682 120.400 0.028 0.000 2.562 496 D HA 0.082 4.721 4.640 -0.002 0.000 0.246 496 D C -0.432 175.877 176.300 0.013 0.000 1.347 496 D CA -0.187 53.819 54.000 0.010 0.000 0.800 496 D CB -0.312 40.474 40.800 -0.023 0.000 1.111 496 D HN 0.556 nan 8.370 nan 0.000 0.508 497 N N 0.745 119.476 118.700 0.051 0.000 2.713 497 N HA -0.296 4.443 4.740 -0.002 0.000 0.251 497 N C 1.167 176.694 175.510 0.028 0.000 1.117 497 N CA 0.960 54.040 53.050 0.051 0.000 0.770 497 N CB -1.302 37.213 38.487 0.046 0.000 1.137 497 N HN 0.386 nan 8.380 nan 0.000 0.566 498 S N 0.272 115.984 115.700 0.019 0.000 2.412 498 S HA -0.325 4.143 4.470 -0.002 0.000 0.246 498 S C 2.021 176.637 174.600 0.028 0.000 1.073 498 S CA 2.649 60.857 58.200 0.013 0.000 1.186 498 S CB -0.334 62.875 63.200 0.015 0.000 1.084 498 S HN 0.572 nan 8.310 nan 0.000 0.434 499 A N 2.211 125.057 122.820 0.044 0.000 1.842 499 A HA -0.088 4.230 4.320 -0.002 0.000 0.217 499 A C 2.393 180.023 177.584 0.077 0.000 1.206 499 A CA 1.929 54.001 52.037 0.059 0.000 0.630 499 A CB -1.434 17.605 19.000 0.065 0.000 0.839 499 A HN 0.680 nan 8.150 nan 0.000 0.447 500 L N -0.577 120.701 121.223 0.091 0.000 2.054 500 L HA -0.336 4.003 4.340 -0.002 0.000 0.220 500 L C 2.401 179.326 176.870 0.091 0.000 1.081 500 L CA 2.710 57.625 54.840 0.125 0.000 0.780 500 L CB -0.674 41.456 42.059 0.119 0.000 0.893 500 L HN 0.602 nan 8.230 nan 0.000 0.438 501 D N 0.510 120.931 120.400 0.036 0.000 2.182 501 D HA -0.279 4.360 4.640 -0.002 0.000 0.193 501 D C 1.982 178.292 176.300 0.016 0.000 0.999 501 D CA 2.498 56.495 54.000 -0.004 0.000 0.850 501 D CB -0.128 40.659 40.800 -0.022 0.000 0.994 501 D HN 0.463 nan 8.370 nan 0.000 0.450 502 K N -0.033 120.384 120.400 0.029 0.000 2.360 502 K HA -0.091 4.228 4.320 -0.002 0.000 0.201 502 K C 2.349 178.990 176.600 0.069 0.000 1.046 502 K CA 1.059 57.368 56.287 0.038 0.000 0.940 502 K CB -0.483 32.039 32.500 0.036 0.000 0.748 502 K HN 0.284 nan 8.250 nan 0.000 0.465 503 M N 0.485 120.150 119.600 0.108 0.000 2.099 503 M HA -0.030 4.449 4.480 -0.002 0.000 0.262 503 M C 1.923 178.303 176.300 0.133 0.000 1.067 503 M CA 1.572 56.984 55.300 0.186 0.000 1.124 503 M CB -0.246 32.548 32.600 0.324 0.000 1.353 503 M HN 0.127 nan 8.290 nan 0.000 0.410 504 L N -0.523 120.730 121.223 0.051 0.000 2.275 504 L HA -0.205 4.134 4.340 -0.002 0.000 0.215 504 L C 2.226 179.073 176.870 -0.038 0.000 1.119 504 L CA 0.929 55.730 54.840 -0.066 0.000 0.790 504 L CB -0.515 41.507 42.059 -0.062 0.000 0.919 504 L HN 0.396 nan 8.230 nan 0.000 0.443 505 Q N -0.318 119.481 119.800 -0.002 0.000 2.364 505 Q HA -0.113 4.226 4.340 -0.002 0.000 0.207 505 Q C 1.591 177.597 176.000 0.011 0.000 0.970 505 Q CA 0.774 56.575 55.803 -0.003 0.000 0.888 505 Q CB 0.130 28.871 28.738 0.005 0.000 0.951 505 Q HN 0.388 nan 8.270 nan 0.000 0.469 506 N N -0.649 118.069 118.700 0.030 0.000 2.270 506 N HA 0.064 4.803 4.740 -0.002 0.000 0.198 506 N C -1.046 174.497 175.510 0.054 0.000 1.117 506 N CA 0.135 53.217 53.050 0.053 0.000 0.845 506 N CB 0.934 39.472 38.487 0.086 0.000 0.980 506 N HN -0.052 nan 8.380 nan 0.000 0.486 507 V N 1.066 120.989 119.914 0.015 0.000 2.769 507 V HA 0.217 4.336 4.120 -0.002 0.000 0.312 507 V C 0.085 176.178 176.094 -0.002 0.000 1.061 507 V CA -0.773 61.534 62.300 0.011 0.000 0.931 507 V CB 2.333 34.116 31.823 -0.066 0.000 1.010 507 V HN 0.017 nan 8.190 nan 0.000 0.433 508 Q N 3.557 123.372 119.800 0.024 0.000 3.004 508 Q HA 0.247 4.586 4.340 -0.002 0.000 0.256 508 Q C -0.271 175.708 176.000 -0.034 0.000 1.387 508 Q CA -0.318 55.478 55.803 -0.012 0.000 0.962 508 Q CB 0.135 28.895 28.738 0.037 0.000 1.676 508 Q HN 0.511 nan 8.270 nan 0.000 0.568 509 M N 2.291 121.852 119.600 -0.065 0.000 2.240 509 M HA 0.192 4.670 4.480 -0.002 0.000 0.317 509 M C -2.016 174.226 176.300 -0.097 0.000 1.087 509 M CA -2.180 53.068 55.300 -0.087 0.000 1.176 509 M CB -0.669 31.879 32.600 -0.086 0.000 1.439 509 M HN 0.212 nan 8.290 nan 0.000 0.452 510 P HA 0.338 nan 4.420 nan 0.000 0.280 510 P C -0.912 176.317 177.300 -0.119 0.000 1.272 510 P CA -0.625 62.403 63.100 -0.120 0.000 0.819 510 P CB 0.794 32.414 31.700 -0.133 0.000 1.122 511 S N -0.312 115.301 115.700 -0.145 0.000 2.681 511 S HA 0.583 5.052 4.470 -0.002 0.000 0.299 511 S C -0.478 174.028 174.600 -0.156 0.000 1.113 511 S CA -0.656 57.462 58.200 -0.137 0.000 1.013 511 S CB 1.219 64.329 63.200 -0.150 0.000 1.076 511 S HN 0.441 nan 8.310 nan 0.000 0.534 512 K N 0.677 121.006 120.400 -0.119 0.000 2.259 512 K HA 0.417 4.736 4.320 -0.002 0.000 0.249 512 K C -1.350 175.182 176.600 -0.114 0.000 0.942 512 K CA -0.695 55.527 56.287 -0.109 0.000 0.816 512 K CB 1.285 33.748 32.500 -0.061 0.000 1.155 512 K HN 0.637 nan 8.250 nan 0.000 0.428 513 K N 4.801 125.135 120.400 -0.109 0.000 2.559 513 K HA 0.296 4.615 4.320 -0.002 0.000 0.249 513 K C -1.140 175.399 176.600 -0.100 0.000 0.958 513 K CA -0.515 55.705 56.287 -0.112 0.000 0.901 513 K CB 0.990 33.411 32.500 -0.131 0.000 1.124 513 K HN 0.623 nan 8.250 nan 0.000 0.437 514 L N 4.105 125.280 121.223 -0.080 0.000 2.260 514 L HA 0.310 4.649 4.340 -0.002 0.000 0.289 514 L C -0.079 176.716 176.870 -0.124 0.000 1.057 514 L CA 0.246 55.061 54.840 -0.041 0.000 0.811 514 L CB 0.656 42.759 42.059 0.073 0.000 1.184 514 L HN 0.687 nan 8.230 nan 0.000 0.429 515 D N 2.427 122.583 120.400 -0.407 0.000 2.812 515 D HA 0.465 5.104 4.640 -0.002 0.000 0.318 515 D C -1.457 174.384 176.300 -0.765 0.000 1.234 515 D CA -0.181 53.407 54.000 -0.687 0.000 0.989 515 D CB 2.424 42.802 40.800 -0.702 0.000 1.442 515 D HN 0.140 nan 8.370 nan 0.000 0.537 516 F N -0.030 119.583 119.950 -0.562 0.000 2.620 516 F HA 0.723 5.248 4.527 -0.002 0.000 0.320 516 F C -0.469 175.365 175.800 0.058 0.000 1.069 516 F CA -1.129 56.605 58.000 -0.443 0.000 0.953 516 F CB 0.648 38.997 39.000 -1.085 0.000 1.322 516 F HN 0.200 nan 8.300 nan 0.000 0.479 517 I N -0.493 120.382 120.570 0.509 0.000 2.828 517 I HA 0.728 4.897 4.170 -0.002 0.000 0.302 517 I C -1.317 175.032 176.117 0.387 0.000 1.101 517 I CA -1.232 60.333 61.300 0.442 0.000 1.031 517 I CB 2.347 40.602 38.000 0.425 0.000 1.231 517 I HN 0.585 nan 8.210 nan 0.000 0.427 518 I N 4.127 124.863 120.570 0.277 0.000 2.392 518 I HA 0.380 4.548 4.170 -0.002 0.000 0.295 518 I C 0.265 176.533 176.117 0.251 0.000 0.985 518 I CA -0.426 61.013 61.300 0.231 0.000 1.221 518 I CB 1.576 39.648 38.000 0.121 0.000 1.366 518 I HN 0.685 nan 8.210 nan 0.000 0.467 519 L N 4.003 125.431 121.223 0.341 0.000 2.546 519 L HA 0.191 4.530 4.340 -0.002 0.000 0.182 519 L C 1.854 178.807 176.870 0.139 0.000 1.167 519 L CA 0.407 55.376 54.840 0.215 0.000 0.845 519 L CB -0.309 41.845 42.059 0.159 0.000 1.134 519 L HN 0.612 nan 8.230 nan 0.000 0.500 520 N N 0.278 119.082 118.700 0.174 0.000 2.244 520 N HA -0.038 4.701 4.740 -0.002 0.000 0.189 520 N C 0.243 175.796 175.510 0.072 0.000 1.047 520 N CA 1.326 54.430 53.050 0.090 0.000 0.870 520 N CB 0.352 38.885 38.487 0.076 0.000 1.041 520 N HN 0.341 nan 8.380 nan 0.000 0.448 521 E N -0.833 119.410 120.200 0.072 0.000 2.904 521 E HA 0.194 4.542 4.350 -0.002 0.000 0.162 521 E C -0.947 175.659 176.600 0.010 0.000 0.909 521 E CA -0.149 56.275 56.400 0.040 0.000 1.368 521 E CB 0.237 29.946 29.700 0.014 0.000 1.007 521 E HN -0.089 nan 8.360 nan 0.000 0.451 522 T N 1.418 115.999 114.554 0.045 0.000 2.909 522 T HA 0.272 4.621 4.350 -0.002 0.000 0.289 522 T C -0.035 174.556 174.700 -0.182 0.000 1.005 522 T CA -0.315 61.726 62.100 -0.099 0.000 1.084 522 T CB 1.063 69.870 68.868 -0.101 0.000 0.975 522 T HN -0.016 nan 8.240 nan 0.000 0.509 523 K N 1.991 122.166 120.400 -0.375 0.000 2.227 523 K HA 0.424 4.742 4.320 -0.002 0.000 0.280 523 K C -1.087 175.201 176.600 -0.519 0.000 1.041 523 K CA -0.198 55.879 56.287 -0.351 0.000 0.905 523 K CB 0.557 32.764 32.500 -0.489 0.000 1.068 523 K HN 0.441 nan 8.250 nan 0.000 0.470 524 F N 2.610 122.605 119.950 0.075 0.000 2.445 524 F HA 0.314 4.839 4.527 -0.002 0.000 0.348 524 F C -0.445 175.411 175.800 0.094 0.000 1.125 524 F CA -1.039 57.009 58.000 0.080 0.000 0.983 524 F CB 0.737 39.748 39.000 0.017 0.000 1.198 524 F HN 0.414 nan 8.300 nan 0.000 0.436 525 W N 3.412 124.806 121.300 0.156 0.000 2.126 525 W HA 0.426 5.084 4.660 -0.002 0.000 0.346 525 W C -0.294 176.315 176.519 0.151 0.000 1.279 525 W CA -0.467 56.974 57.345 0.161 0.000 1.259 525 W CB 0.088 29.610 29.460 0.103 0.000 1.133 525 W HN 0.501 nan 8.180 nan 0.000 0.592 526 Y N -1.102 119.460 120.300 0.437 0.000 2.638 526 Y HA 0.558 5.106 4.550 -0.002 0.000 0.335 526 Y C -0.938 175.140 175.900 0.296 0.000 1.155 526 Y CA -1.859 56.486 58.100 0.408 0.000 1.046 526 Y CB 0.960 39.820 38.460 0.667 0.000 1.303 526 Y HN 0.563 nan 8.280 nan 0.000 0.460 527 Q N 2.061 122.125 119.800 0.440 0.000 2.433 527 Q HA 0.798 5.136 4.340 -0.002 0.000 0.279 527 Q C -1.845 174.312 176.000 0.261 0.000 1.105 527 Q CA -1.179 54.759 55.803 0.225 0.000 0.815 527 Q CB 3.364 32.178 28.738 0.126 0.000 1.403 527 Q HN 0.908 nan 8.270 nan 0.000 0.435 528 M N 1.738 121.400 119.600 0.102 0.000 2.446 528 M HA 0.449 4.927 4.480 -0.002 0.000 0.294 528 M C -1.564 174.689 176.300 -0.078 0.000 1.158 528 M CA -0.897 54.401 55.300 -0.003 0.000 0.899 528 M CB 2.418 34.981 32.600 -0.062 0.000 1.687 528 M HN 0.623 nan 8.290 nan 0.000 0.455 529 I N 4.398 124.913 120.570 -0.092 0.000 2.336 529 I HA 0.445 4.613 4.170 -0.002 0.000 0.292 529 I C -0.771 175.231 176.117 -0.192 0.000 0.991 529 I CA -0.395 60.826 61.300 -0.131 0.000 1.227 529 I CB 0.906 38.842 38.000 -0.105 0.000 1.366 529 I HN 0.607 nan 8.210 nan 0.000 0.466 530 L N 8.040 129.112 121.223 -0.251 0.000 2.341 530 L HA 0.475 4.813 4.340 -0.002 0.000 0.278 530 L C -2.275 174.460 176.870 -0.224 0.000 1.005 530 L CA -1.832 52.799 54.840 -0.349 0.000 0.818 530 L CB 1.929 43.578 42.059 -0.685 0.000 1.259 530 L HN 0.288 nan 8.230 nan 0.000 0.418 531 P HA -0.025 nan 4.420 nan 0.000 0.266 531 P C -2.384 174.900 177.300 -0.027 0.000 1.186 531 P CA -0.531 62.526 63.100 -0.072 0.000 0.767 531 P CB -0.296 31.366 31.700 -0.063 0.000 0.820 532 P HA -0.052 nan 4.420 nan 0.000 0.270 532 P C -0.431 176.839 177.300 -0.050 0.000 1.227 532 P CA 0.224 63.239 63.100 -0.142 0.000 0.788 532 P CB -0.236 31.344 31.700 -0.199 0.000 0.926 533 H N -2.364 116.738 119.070 0.054 0.000 2.315 533 H HA -0.226 4.328 4.556 -0.002 0.000 0.324 533 H C -0.095 175.286 175.328 0.088 0.000 0.996 533 H CA 0.027 56.111 56.048 0.061 0.000 1.090 533 H CB -2.626 27.162 29.762 0.043 0.000 1.580 533 H HN 0.289 nan 8.280 nan 0.000 0.374 534 F N 2.283 122.221 119.950 -0.021 0.000 2.590 534 F HA 0.097 4.622 4.527 -0.002 0.000 0.389 534 F C 0.505 176.311 175.800 0.010 0.000 1.049 534 F CA -0.357 57.587 58.000 -0.093 0.000 1.199 534 F CB 0.433 39.277 39.000 -0.261 0.000 1.058 534 F HN 0.389 nan 8.300 nan 0.000 0.556 535 D N 6.714 126.868 120.400 -0.409 0.000 2.461 535 D HA 0.077 4.716 4.640 -0.002 0.000 0.240 535 D C 0.569 176.585 176.300 -0.473 0.000 1.094 535 D CA -0.563 53.276 54.000 -0.269 0.000 0.868 535 D CB 0.822 41.565 40.800 -0.095 0.000 1.062 535 D HN 0.664 nan 8.370 nan 0.000 0.530 536 K N 2.068 122.192 120.400 -0.460 0.000 2.616 536 K HA -0.053 4.266 4.320 -0.002 0.000 0.192 536 K C 0.196 176.787 176.600 -0.016 0.000 1.031 536 K CA 0.521 56.622 56.287 -0.310 0.000 1.004 536 K CB -0.164 32.340 32.500 0.006 0.000 0.810 536 K HN 0.222 nan 8.250 nan 0.000 0.497 537 S N -0.550 115.113 115.700 -0.061 0.000 2.557 537 S HA 0.239 4.708 4.470 -0.002 0.000 0.223 537 S C 0.151 174.718 174.600 -0.055 0.000 0.969 537 S CA -0.582 57.606 58.200 -0.021 0.000 0.927 537 S CB 0.258 63.441 63.200 -0.028 0.000 0.806 537 S HN 0.060 nan 8.310 nan 0.000 0.489 538 K N 2.033 122.373 120.400 -0.101 0.000 2.203 538 K HA 0.435 4.754 4.320 -0.002 0.000 0.251 538 K C -0.742 175.746 176.600 -0.186 0.000 0.944 538 K CA -0.521 55.636 56.287 -0.217 0.000 0.829 538 K CB 1.348 33.595 32.500 -0.422 0.000 1.125 538 K HN 0.017 nan 8.250 nan 0.000 0.430 539 K N 2.901 123.181 120.400 -0.201 0.000 2.312 539 K HA 0.202 4.521 4.320 -0.002 0.000 0.287 539 K C -0.417 176.057 176.600 -0.209 0.000 1.062 539 K CA -0.132 56.084 56.287 -0.118 0.000 0.934 539 K CB 0.128 32.565 32.500 -0.104 0.000 1.027 539 K HN 0.427 nan 8.250 nan 0.000 0.478 540 Y N 3.691 123.990 120.300 -0.002 0.000 2.377 540 Y HA 0.245 4.793 4.550 -0.002 0.000 0.339 540 Y C -1.778 174.065 175.900 -0.096 0.000 1.011 540 Y CA -2.114 55.982 58.100 -0.007 0.000 1.093 540 Y CB 1.798 40.332 38.460 0.124 0.000 1.201 540 Y HN 0.471 nan 8.280 nan 0.000 0.455 541 P HA 0.207 nan 4.420 nan 0.000 0.277 541 P C -1.171 175.942 177.300 -0.311 0.000 1.240 541 P CA -0.256 62.604 63.100 -0.400 0.000 0.798 541 P CB 1.920 33.236 31.700 -0.639 0.000 0.979 542 L N 2.832 123.818 121.223 -0.396 0.000 2.409 542 L HA 0.520 4.858 4.340 -0.002 0.000 0.272 542 L C -1.062 175.876 176.870 0.112 0.000 0.980 542 L CA -1.025 53.763 54.840 -0.087 0.000 0.826 542 L CB 1.664 43.685 42.059 -0.063 0.000 1.268 542 L HN 0.282 nan 8.230 nan 0.000 0.407 543 L N 5.652 127.003 121.223 0.213 0.000 2.325 543 L HA 0.445 4.784 4.340 -0.002 0.000 0.281 543 L C -1.125 175.955 176.870 0.350 0.000 1.004 543 L CA -0.632 54.428 54.840 0.366 0.000 0.823 543 L CB 1.621 43.879 42.059 0.330 0.000 1.236 543 L HN 0.577 nan 8.230 nan 0.000 0.415 544 L N 5.110 126.602 121.223 0.448 0.000 2.259 544 L HA 0.274 4.613 4.340 -0.002 0.000 0.288 544 L C -0.712 176.406 176.870 0.412 0.000 1.051 544 L CA -0.151 54.950 54.840 0.435 0.000 0.824 544 L CB 1.152 43.526 42.059 0.524 0.000 1.206 544 L HN 0.616 nan 8.230 nan 0.000 0.429 545 D N 4.690 125.304 120.400 0.357 0.000 2.380 545 D HA 0.309 4.948 4.640 -0.002 0.000 0.230 545 D C -0.519 175.876 176.300 0.159 0.000 1.154 545 D CA -0.182 53.948 54.000 0.216 0.000 0.859 545 D CB 1.171 42.184 40.800 0.355 0.000 1.045 545 D HN 0.172 nan 8.370 nan 0.000 0.495 546 V N 4.114 124.071 119.914 0.072 0.000 2.850 546 V HA 0.392 4.511 4.120 -0.002 0.000 0.315 546 V C 0.076 176.273 176.094 0.173 0.000 1.064 546 V CA -0.710 61.684 62.300 0.157 0.000 0.979 546 V CB 1.465 33.373 31.823 0.143 0.000 1.039 546 V HN 0.634 nan 8.190 nan 0.000 0.452 547 Y N 1.948 122.323 120.300 0.126 0.000 3.266 547 Y HA 0.554 5.102 4.550 -0.002 0.000 0.189 547 Y C 1.423 177.431 175.900 0.180 0.000 0.895 547 Y CA 0.958 59.152 58.100 0.155 0.000 1.706 547 Y CB 0.116 38.657 38.460 0.134 0.000 1.449 547 Y HN 0.890 nan 8.280 nan 0.000 0.391 548 A N 0.982 124.012 122.820 0.349 0.000 3.009 548 A HA -0.009 4.310 4.320 -0.002 0.000 0.264 548 A C 0.391 177.823 177.584 -0.253 0.000 1.408 548 A CA 0.834 52.960 52.037 0.148 0.000 0.789 548 A CB -2.228 16.896 19.000 0.207 0.000 1.040 548 A HN 1.020 nan 8.150 nan 0.000 0.576 549 G N -1.173 107.386 108.800 -0.401 0.000 2.509 549 G HA2 0.683 4.641 3.960 -0.002 0.000 0.328 549 G HA3 0.683 4.641 3.960 -0.002 0.000 0.328 549 G C -2.824 171.909 174.900 -0.278 0.000 1.194 549 G CA -1.795 42.736 45.100 -0.950 0.000 0.967 549 G HN 0.166 nan 8.290 nan 0.000 0.488 550 P HA 0.095 nan 4.420 nan 0.000 0.256 550 P C 0.543 177.782 177.300 -0.103 0.000 1.173 550 P CA 0.357 63.333 63.100 -0.205 0.000 0.768 550 P CB 0.536 31.908 31.700 -0.546 0.000 0.758 551 C N 2.597 121.882 119.300 -0.025 0.000 5.277 551 C HA -0.159 4.299 4.460 -0.002 0.000 0.225 551 C C 1.133 176.207 174.990 0.140 0.000 1.237 551 C CA 1.161 60.106 59.018 -0.122 0.000 1.297 551 C CB -2.424 24.993 27.740 -0.537 0.000 1.947 551 C HN 0.737 nan 8.230 nan 0.000 0.642 552 S N 0.346 116.198 115.700 0.253 0.000 2.608 552 S HA 0.502 4.971 4.470 -0.002 0.000 0.261 552 S C -0.467 174.326 174.600 0.322 0.000 1.314 552 S CA 0.391 58.794 58.200 0.338 0.000 0.992 552 S CB 1.388 64.816 63.200 0.381 0.000 0.935 552 S HN 0.799 nan 8.310 nan 0.000 0.564 553 Q N -0.184 119.799 119.800 0.304 0.000 2.709 553 Q HA 0.269 4.607 4.340 -0.002 0.000 0.232 553 Q C -0.497 175.614 176.000 0.185 0.000 0.856 553 Q CA -0.492 55.470 55.803 0.265 0.000 0.788 553 Q CB 0.804 29.723 28.738 0.302 0.000 1.386 553 Q HN 0.751 nan 8.270 nan 0.000 0.453 554 K N 0.530 121.047 120.400 0.194 0.000 2.393 554 K HA 0.235 4.554 4.320 -0.002 0.000 0.193 554 K C 0.098 176.796 176.600 0.163 0.000 1.026 554 K CA 0.241 56.631 56.287 0.171 0.000 1.064 554 K CB 0.942 33.571 32.500 0.215 0.000 0.833 554 K HN 0.434 nan 8.250 nan 0.000 0.521 555 A N 3.188 126.108 122.820 0.167 0.000 2.253 555 A HA 0.268 4.587 4.320 -0.002 0.000 0.316 555 A C -0.246 177.383 177.584 0.074 0.000 1.327 555 A CA -0.544 51.584 52.037 0.152 0.000 0.917 555 A CB 0.178 19.313 19.000 0.226 0.000 1.162 555 A HN 0.301 nan 8.150 nan 0.000 0.535 556 D N 0.490 120.911 120.400 0.035 0.000 2.825 556 D HA 0.227 4.866 4.640 -0.002 0.000 0.327 556 D C 0.178 176.462 176.300 -0.027 0.000 1.277 556 D CA 0.274 54.274 54.000 -0.000 0.000 0.950 556 D CB 0.690 41.481 40.800 -0.014 0.000 1.438 556 D HN 0.302 nan 8.370 nan 0.000 0.526 557 T N -2.295 112.248 114.554 -0.018 0.000 3.105 557 T HA 0.262 4.610 4.350 -0.002 0.000 0.253 557 T C 0.837 175.468 174.700 -0.115 0.000 1.047 557 T CA -0.219 61.871 62.100 -0.017 0.000 0.944 557 T CB -0.461 68.452 68.868 0.076 0.000 1.016 557 T HN 0.272 nan 8.240 nan 0.000 0.544 558 V N 2.409 122.127 119.914 -0.326 0.000 2.740 558 V HA 0.273 4.392 4.120 -0.002 0.000 0.303 558 V C 0.122 176.152 176.094 -0.106 0.000 1.054 558 V CA -0.802 61.286 62.300 -0.353 0.000 1.106 558 V CB -0.112 31.401 31.823 -0.516 0.000 0.957 558 V HN 0.515 nan 8.190 nan 0.000 0.486 559 F N 6.029 125.868 119.950 -0.185 0.000 2.404 559 F HA 0.528 5.053 4.527 -0.002 0.000 0.358 559 F C 0.536 176.271 175.800 -0.107 0.000 1.120 559 F CA -0.354 57.566 58.000 -0.132 0.000 1.144 559 F CB 0.267 39.197 39.000 -0.116 0.000 1.133 559 F HN 0.432 nan 8.300 nan 0.000 0.495 560 R N 6.820 126.961 120.500 -0.599 0.000 2.711 560 R HA 0.621 4.960 4.340 -0.002 0.000 0.284 560 R C -1.547 174.356 176.300 -0.662 0.000 0.968 560 R CA -1.135 54.688 56.100 -0.462 0.000 0.924 560 R CB 2.218 32.377 30.300 -0.235 0.000 1.162 560 R HN 0.654 nan 8.270 nan 0.000 0.465 561 L N 3.727 124.716 121.223 -0.390 0.000 2.342 561 L HA 0.406 4.744 4.340 -0.002 0.000 0.276 561 L C -0.556 176.299 176.870 -0.025 0.000 0.997 561 L CA -0.638 54.018 54.840 -0.306 0.000 0.838 561 L CB 1.049 42.995 42.059 -0.188 0.000 1.224 561 L HN 0.811 nan 8.230 nan 0.000 0.416 562 N N 0.505 119.146 118.700 -0.098 0.000 3.587 562 N HA 0.164 4.903 4.740 -0.002 0.000 0.339 562 N C 0.152 175.252 175.510 -0.684 0.000 1.636 562 N CA -0.826 52.005 53.050 -0.364 0.000 0.788 562 N CB 0.113 38.492 38.487 -0.180 0.000 2.205 562 N HN 0.347 nan 8.380 nan 0.000 0.600 563 W N 0.819 121.326 121.300 -1.322 0.000 2.333 563 W HA 0.168 4.827 4.660 -0.002 0.000 0.316 563 W C 2.220 178.688 176.519 -0.086 0.000 1.215 563 W CA 3.107 60.078 57.345 -0.624 0.000 1.278 563 W CB -1.160 28.034 29.460 -0.444 0.000 1.154 563 W HN 0.703 nan 8.180 nan 0.000 0.486 564 A N -0.730 122.063 122.820 -0.045 0.000 1.997 564 A HA -0.272 4.046 4.320 -0.002 0.000 0.221 564 A C 1.897 179.397 177.584 -0.139 0.000 1.172 564 A CA 2.520 54.481 52.037 -0.127 0.000 0.645 564 A CB -1.383 17.622 19.000 0.009 0.000 0.813 564 A HN 0.284 nan 8.150 nan 0.000 0.454 565 T N -2.167 112.336 114.554 -0.085 0.000 3.163 565 T HA 0.017 4.365 4.350 -0.002 0.000 0.260 565 T C 1.266 176.050 174.700 0.140 0.000 1.156 565 T CA 1.415 63.463 62.100 -0.087 0.000 1.072 565 T CB -0.276 68.427 68.868 -0.275 0.000 0.937 565 T HN 0.792 nan 8.240 nan 0.000 0.528 566 Y N -0.001 120.339 120.300 0.067 0.000 2.673 566 Y HA 0.353 4.901 4.550 -0.002 0.000 0.278 566 Y C 1.592 177.482 175.900 -0.016 0.000 1.127 566 Y CA -0.059 58.125 58.100 0.141 0.000 1.261 566 Y CB -0.390 38.163 38.460 0.156 0.000 1.412 566 Y HN 0.005 nan 8.280 nan 0.000 0.496 567 L N 1.359 122.023 121.223 -0.931 0.000 2.089 567 L HA -0.245 4.094 4.340 -0.002 0.000 0.213 567 L C 2.778 179.410 176.870 -0.396 0.000 1.079 567 L CA 1.746 56.120 54.840 -0.776 0.000 0.758 567 L CB -1.014 40.671 42.059 -0.623 0.000 0.891 567 L HN 0.458 nan 8.230 nan 0.000 0.433 568 A N -0.326 122.334 122.820 -0.267 0.000 1.832 568 A HA -0.208 4.111 4.320 -0.002 0.000 0.214 568 A C 2.545 180.076 177.584 -0.087 0.000 1.204 568 A CA 1.947 53.895 52.037 -0.147 0.000 0.606 568 A CB -0.919 17.999 19.000 -0.136 0.000 0.849 568 A HN 0.432 nan 8.150 nan 0.000 0.445 569 S N -1.605 114.064 115.700 -0.051 0.000 2.387 569 S HA -0.091 4.377 4.470 -0.002 0.000 0.226 569 S C 1.878 176.502 174.600 0.040 0.000 1.026 569 S CA 2.086 60.294 58.200 0.013 0.000 0.972 569 S CB -0.623 62.612 63.200 0.057 0.000 0.814 569 S HN 0.468 nan 8.310 nan 0.000 0.477 570 T N 1.233 115.792 114.554 0.008 0.000 2.901 570 T HA 0.194 4.543 4.350 -0.002 0.000 0.252 570 T C 0.947 175.618 174.700 -0.047 0.000 1.035 570 T CA 0.734 62.846 62.100 0.019 0.000 1.142 570 T CB -0.139 68.804 68.868 0.125 0.000 0.869 570 T HN 0.292 nan 8.240 nan 0.000 0.442 571 E N 2.190 122.278 120.200 -0.186 0.000 2.411 571 E HA 0.173 4.521 4.350 -0.002 0.000 0.204 571 E C -0.266 176.318 176.600 -0.028 0.000 1.059 571 E CA -0.287 56.045 56.400 -0.114 0.000 1.112 571 E CB -0.567 29.013 29.700 -0.201 0.000 1.168 571 E HN 0.350 nan 8.360 nan 0.000 0.445 572 N N 1.267 119.982 118.700 0.025 0.000 2.885 572 N HA -0.236 4.502 4.740 -0.002 0.000 0.290 572 N C -0.292 175.308 175.510 0.149 0.000 1.013 572 N CA 1.001 54.127 53.050 0.126 0.000 0.851 572 N CB -0.803 37.832 38.487 0.247 0.000 0.945 572 N HN 0.368 nan 8.380 nan 0.000 0.600 573 I N 1.007 121.600 120.570 0.038 0.000 2.608 573 I HA 0.360 4.529 4.170 -0.002 0.000 0.295 573 I C 0.460 176.568 176.117 -0.014 0.000 1.049 573 I CA -0.938 60.388 61.300 0.044 0.000 1.063 573 I CB 1.833 39.854 38.000 0.035 0.000 1.248 573 I HN -0.017 nan 8.210 nan 0.000 0.424 574 I N 5.926 126.499 120.570 0.006 0.000 2.396 574 I HA 0.153 4.322 4.170 -0.002 0.000 0.289 574 I C -0.362 175.747 176.117 -0.013 0.000 1.056 574 I CA -0.353 60.926 61.300 -0.035 0.000 1.365 574 I CB 0.970 38.971 38.000 0.002 0.000 1.407 574 I HN 0.144 nan 8.210 nan 0.000 0.509 575 V N 7.110 127.005 119.914 -0.031 0.000 2.318 575 V HA 0.520 4.639 4.120 -0.002 0.000 0.271 575 V C 0.507 176.627 176.094 0.043 0.000 1.030 575 V CA -0.485 61.834 62.300 0.031 0.000 0.844 575 V CB 0.902 32.736 31.823 0.019 0.000 1.015 575 V HN 0.823 nan 8.190 nan 0.000 0.460 576 A N 4.148 127.011 122.820 0.071 0.000 2.306 576 A HA 0.859 5.178 4.320 -0.002 0.000 0.314 576 A C 0.065 177.795 177.584 0.244 0.000 1.164 576 A CA -0.326 51.748 52.037 0.061 0.000 0.822 576 A CB 1.306 20.203 19.000 -0.171 0.000 1.130 576 A HN 0.654 nan 8.150 nan 0.000 0.496 577 S N -0.041 115.854 115.700 0.325 0.000 2.569 577 S HA 0.804 5.273 4.470 -0.002 0.000 0.280 577 S C -1.426 173.531 174.600 0.595 0.000 1.111 577 S CA -0.331 58.112 58.200 0.405 0.000 0.887 577 S CB 1.209 64.589 63.200 0.300 0.000 1.095 577 S HN 0.847 nan 8.310 nan 0.000 0.476 578 F N 1.515 121.696 119.950 0.385 0.000 2.628 578 F HA 0.500 5.025 4.527 -0.002 0.000 0.309 578 F C -1.862 174.147 175.800 0.350 0.000 1.108 578 F CA -0.671 57.587 58.000 0.429 0.000 0.971 578 F CB 1.521 40.769 39.000 0.413 0.000 1.279 578 F HN 0.383 nan 8.300 nan 0.000 0.441 579 D N 3.964 124.187 120.400 -0.296 0.000 2.460 579 D HA 0.426 5.065 4.640 -0.002 0.000 0.232 579 D C 0.292 176.450 176.300 -0.238 0.000 1.079 579 D CA 0.020 53.969 54.000 -0.085 0.000 0.864 579 D CB 1.604 42.452 40.800 0.081 0.000 1.048 579 D HN 0.787 nan 8.370 nan 0.000 0.523 580 G N 1.496 110.408 108.800 0.187 0.000 2.882 580 G HA2 0.275 4.233 3.960 -0.002 0.000 0.164 580 G HA3 0.275 4.233 3.960 -0.002 0.000 0.164 580 G C 0.113 175.233 174.900 0.367 0.000 1.429 580 G CA -0.591 44.714 45.100 0.340 0.000 1.059 580 G HN 0.278 nan 8.290 nan 0.000 0.581 581 R N -0.616 120.056 120.500 0.286 0.000 2.539 581 R HA 0.433 4.772 4.340 -0.002 0.000 0.275 581 R C 1.048 177.509 176.300 0.270 0.000 1.077 581 R CA 0.931 57.224 56.100 0.322 0.000 1.097 581 R CB 0.901 31.383 30.300 0.303 0.000 1.018 581 R HN 0.978 nan 8.270 nan 0.000 0.483 582 G N 0.883 109.828 108.800 0.243 0.000 2.217 582 G HA2 -0.333 3.626 3.960 -0.002 0.000 0.246 582 G HA3 -0.333 3.626 3.960 -0.002 0.000 0.246 582 G C 0.218 175.203 174.900 0.141 0.000 0.990 582 G CA 0.333 45.549 45.100 0.193 0.000 0.627 582 G HN 0.706 nan 8.290 nan 0.000 0.522 583 S N -0.020 115.778 115.700 0.162 0.000 2.655 583 S HA 0.736 5.204 4.470 -0.002 0.000 0.265 583 S C 0.751 175.393 174.600 0.070 0.000 1.240 583 S CA 0.344 58.630 58.200 0.143 0.000 0.986 583 S CB 1.797 65.114 63.200 0.194 0.000 0.985 583 S HN 1.662 nan 8.310 nan 0.000 0.562 584 G N -1.568 107.261 108.800 0.049 0.000 2.509 584 G HA2 0.515 4.474 3.960 -0.002 0.000 0.328 584 G HA3 0.515 4.474 3.960 -0.002 0.000 0.328 584 G C -1.071 173.802 174.900 -0.044 0.000 1.194 584 G CA -1.051 43.915 45.100 -0.223 0.000 0.967 584 G HN 0.960 nan 8.290 nan 0.000 0.488 585 Y N -2.239 118.075 120.300 0.022 0.000 4.490 585 Y HA -0.225 4.324 4.550 -0.002 0.000 0.233 585 Y C 1.217 177.134 175.900 0.027 0.000 1.101 585 Y CA 1.085 59.200 58.100 0.025 0.000 2.010 585 Y CB -2.260 36.230 38.460 0.049 0.000 1.622 585 Y HN 0.571 nan 8.280 nan 0.000 0.675 586 Q N -0.081 119.752 119.800 0.054 0.000 2.088 586 Q HA 0.520 4.859 4.340 -0.002 0.000 0.270 586 Q C 0.757 176.676 176.000 -0.134 0.000 0.854 586 Q CA 0.126 55.970 55.803 0.069 0.000 1.104 586 Q CB 1.577 30.360 28.738 0.075 0.000 1.251 586 Q HN 0.607 nan 8.270 nan 0.000 0.436 587 G N 0.723 109.304 108.800 -0.365 0.000 2.690 587 G HA2 -0.178 3.781 3.960 -0.002 0.000 0.686 587 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.686 587 G C -0.518 174.004 174.900 -0.630 0.000 1.277 587 G CA -0.625 43.937 45.100 -0.896 0.000 0.799 587 G HN 0.143 nan 8.290 nan 0.000 0.613 588 D N -0.081 119.910 120.400 -0.683 0.000 2.269 588 D HA -0.019 4.620 4.640 -0.002 0.000 0.208 588 D C 2.198 178.227 176.300 -0.452 0.000 0.963 588 D CA 1.177 54.764 54.000 -0.689 0.000 0.864 588 D CB 0.100 40.400 40.800 -0.833 0.000 0.936 588 D HN 0.603 nan 8.370 nan 0.000 0.505 589 K N 0.424 120.632 120.400 -0.320 0.000 2.097 589 K HA -0.076 4.243 4.320 -0.002 0.000 0.206 589 K C 1.947 178.511 176.600 -0.061 0.000 1.049 589 K CA 0.870 57.069 56.287 -0.146 0.000 0.933 589 K CB 0.002 32.427 32.500 -0.124 0.000 0.717 589 K HN 0.081 nan 8.250 nan 0.000 0.442 590 I N 0.354 120.870 120.570 -0.090 0.000 2.339 590 I HA -0.166 4.002 4.170 -0.002 0.000 0.245 590 I C 2.495 178.647 176.117 0.058 0.000 1.096 590 I CA 0.779 62.099 61.300 0.033 0.000 1.408 590 I CB -0.028 37.988 38.000 0.026 0.000 1.092 590 I HN 0.280 nan 8.210 nan 0.000 0.423 591 M N -0.258 119.304 119.600 -0.062 0.000 2.549 591 M HA -0.171 4.307 4.480 -0.002 0.000 0.260 591 M C 0.903 177.315 176.300 0.186 0.000 1.076 591 M CA 1.618 56.918 55.300 -0.000 0.000 1.090 591 M CB -0.087 32.411 32.600 -0.170 0.000 1.418 591 M HN 0.257 nan 8.290 nan 0.000 0.486 592 H N -1.286 117.731 119.070 -0.088 0.000 2.674 592 H HA 0.401 4.955 4.556 -0.002 0.000 0.274 592 H C 1.463 176.847 175.328 0.092 0.000 1.121 592 H CA 0.351 56.352 56.048 -0.078 0.000 1.132 592 H CB 0.121 29.737 29.762 -0.243 0.000 1.606 592 H HN 0.376 nan 8.280 nan 0.000 0.558 593 A N 0.195 123.175 122.820 0.267 0.000 2.014 593 A HA -0.031 4.288 4.320 -0.002 0.000 0.218 593 A C 1.753 179.561 177.584 0.374 0.000 1.163 593 A CA 0.944 53.172 52.037 0.319 0.000 0.652 593 A CB -0.140 19.057 19.000 0.328 0.000 0.808 593 A HN 0.206 nan 8.150 nan 0.000 0.449 594 I N -0.120 120.633 120.570 0.305 0.000 3.728 594 I HA 0.064 4.233 4.170 -0.002 0.000 0.307 594 I C 0.596 176.813 176.117 0.167 0.000 1.276 594 I CA -0.628 60.791 61.300 0.198 0.000 1.285 594 I CB -0.872 37.236 38.000 0.180 0.000 1.038 594 I HN 0.263 nan 8.210 nan 0.000 0.445 595 N N 1.997 120.855 118.700 0.264 0.000 2.131 595 N HA -0.189 4.550 4.740 -0.002 0.000 0.276 595 N C 0.677 176.241 175.510 0.091 0.000 1.295 595 N CA 0.769 53.956 53.050 0.229 0.000 0.818 595 N CB 0.072 38.650 38.487 0.152 0.000 1.049 595 N HN 0.167 nan 8.380 nan 0.000 0.484 596 R N 0.640 121.163 120.500 0.039 0.000 4.016 596 R HA -0.255 4.084 4.340 -0.002 0.000 0.385 596 R C -0.207 176.086 176.300 -0.012 0.000 1.158 596 R CA 1.459 57.551 56.100 -0.013 0.000 1.117 596 R CB -1.186 29.121 30.300 0.012 0.000 1.635 596 R HN 0.682 nan 8.270 nan 0.000 0.560 597 R N 0.488 120.982 120.500 -0.010 0.000 2.661 597 R HA 0.270 4.608 4.340 -0.002 0.000 0.429 597 R C -0.232 176.095 176.300 0.045 0.000 1.044 597 R CA -0.405 55.709 56.100 0.023 0.000 1.065 597 R CB 0.631 30.823 30.300 -0.180 0.000 1.377 597 R HN 0.012 nan 8.270 nan 0.000 0.600 598 L N 0.331 121.549 121.223 -0.008 0.000 2.543 598 L HA -0.012 4.327 4.340 -0.002 0.000 0.285 598 L C 1.426 178.440 176.870 0.241 0.000 1.236 598 L CA 1.302 56.181 54.840 0.065 0.000 0.871 598 L CB 0.139 42.061 42.059 -0.229 0.000 1.121 598 L HN 0.649 nan 8.230 nan 0.000 0.501 599 G N 0.752 109.772 108.800 0.366 0.000 2.162 599 G HA2 -0.326 3.633 3.960 -0.002 0.000 0.260 599 G HA3 -0.326 3.633 3.960 -0.002 0.000 0.260 599 G C 0.589 175.572 174.900 0.138 0.000 0.976 599 G CA 0.746 46.010 45.100 0.274 0.000 0.655 599 G HN 0.873 nan 8.290 nan 0.000 0.533 600 T N -2.546 112.050 114.554 0.070 0.000 3.555 600 T HA 0.450 4.799 4.350 -0.002 0.000 0.201 600 T C 1.796 176.463 174.700 -0.054 0.000 0.850 600 T CA 1.252 63.283 62.100 -0.116 0.000 1.646 600 T CB -0.162 68.405 68.868 -0.502 0.000 1.774 600 T HN 0.196 nan 8.240 nan 0.000 0.447 601 F N 3.259 123.264 119.950 0.092 0.000 2.171 601 F HA 0.128 4.653 4.527 -0.002 0.000 0.300 601 F C 2.800 178.647 175.800 0.078 0.000 1.090 601 F CA 0.943 58.983 58.000 0.067 0.000 1.293 601 F CB -0.899 38.143 39.000 0.070 0.000 1.013 601 F HN 0.538 nan 8.300 nan 0.000 0.486 602 E N 1.119 121.470 120.200 0.253 0.000 2.110 602 E HA -0.142 4.207 4.350 -0.002 0.000 0.193 602 E C 2.025 178.731 176.600 0.177 0.000 0.988 602 E CA 1.795 58.331 56.400 0.227 0.000 0.804 602 E CB -1.035 28.802 29.700 0.229 0.000 0.745 602 E HN 0.309 nan 8.360 nan 0.000 0.458 603 V N 1.468 121.461 119.914 0.131 0.000 2.255 603 V HA -0.208 3.910 4.120 -0.002 0.000 0.243 603 V C 2.410 178.528 176.094 0.040 0.000 1.038 603 V CA 1.952 64.282 62.300 0.050 0.000 1.008 603 V CB -0.884 30.925 31.823 -0.023 0.000 0.645 603 V HN 0.148 nan 8.190 nan 0.000 0.449 604 E N 0.615 120.859 120.200 0.073 0.000 2.082 604 E HA -0.326 4.023 4.350 -0.002 0.000 0.215 604 E C 1.960 178.556 176.600 -0.007 0.000 1.048 604 E CA 2.317 58.754 56.400 0.063 0.000 0.869 604 E CB -0.306 29.493 29.700 0.165 0.000 0.773 604 E HN 0.632 nan 8.360 nan 0.000 0.466 605 D N -0.055 120.343 120.400 -0.003 0.000 2.087 605 D HA -0.185 4.454 4.640 -0.002 0.000 0.192 605 D C 2.014 178.150 176.300 -0.274 0.000 0.993 605 D CA 0.916 54.836 54.000 -0.133 0.000 0.828 605 D CB -0.497 40.271 40.800 -0.053 0.000 0.968 605 D HN 0.124 nan 8.370 nan 0.000 0.448 606 Q N 0.071 119.792 119.800 -0.131 0.000 2.165 606 Q HA -0.219 4.120 4.340 -0.002 0.000 0.215 606 Q C 2.562 178.461 176.000 -0.168 0.000 1.010 606 Q CA 1.202 56.922 55.803 -0.138 0.000 0.896 606 Q CB -0.649 28.109 28.738 0.034 0.000 0.956 606 Q HN 0.459 nan 8.270 nan 0.000 0.413 607 I N 0.434 120.954 120.570 -0.084 0.000 2.193 607 I HA -0.200 3.969 4.170 -0.002 0.000 0.240 607 I C 2.403 178.418 176.117 -0.170 0.000 1.084 607 I CA 0.916 62.207 61.300 -0.015 0.000 1.365 607 I CB -0.279 37.735 38.000 0.023 0.000 1.064 607 I HN 0.114 nan 8.210 nan 0.000 0.410 608 E N 0.920 120.983 120.200 -0.229 0.000 2.209 608 E HA -0.214 4.135 4.350 -0.002 0.000 0.196 608 E C 2.245 178.582 176.600 -0.439 0.000 0.993 608 E CA 1.311 57.550 56.400 -0.267 0.000 0.819 608 E CB -0.049 29.517 29.700 -0.223 0.000 0.745 608 E HN 0.502 nan 8.360 nan 0.000 0.477 609 A N 0.917 123.333 122.820 -0.675 0.000 1.930 609 A HA -0.040 4.279 4.320 -0.002 0.000 0.217 609 A C 2.352 179.214 177.584 -1.204 0.000 1.175 609 A CA 1.687 53.056 52.037 -1.115 0.000 0.627 609 A CB -0.337 17.650 19.000 -1.688 0.000 0.815 609 A HN 0.277 nan 8.150 nan 0.000 0.443 610 A N -0.501 121.933 122.820 -0.643 0.000 1.872 610 A HA -0.072 4.247 4.320 -0.002 0.000 0.214 610 A C 2.182 179.564 177.584 -0.337 0.000 1.187 610 A CA 1.379 53.186 52.037 -0.383 0.000 0.614 610 A CB -0.499 18.333 19.000 -0.279 0.000 0.826 610 A HN 0.491 nan 8.150 nan 0.000 0.442 611 R N -0.479 119.836 120.500 -0.308 0.000 2.133 611 R HA -0.259 4.079 4.340 -0.002 0.000 0.245 611 R C 2.489 178.654 176.300 -0.226 0.000 1.137 611 R CA 2.390 58.352 56.100 -0.230 0.000 0.947 611 R CB -0.339 29.846 30.300 -0.191 0.000 0.865 611 R HN 0.711 nan 8.270 nan 0.000 0.437 612 Q N -1.131 118.481 119.800 -0.314 0.000 2.119 612 Q HA -0.143 4.196 4.340 -0.002 0.000 0.201 612 Q C 1.980 177.906 176.000 -0.123 0.000 0.972 612 Q CA 1.177 56.840 55.803 -0.233 0.000 0.847 612 Q CB -0.050 28.531 28.738 -0.263 0.000 0.903 612 Q HN 0.283 nan 8.270 nan 0.000 0.433 613 F N 0.673 120.490 119.950 -0.221 0.000 2.171 613 F HA -0.174 4.352 4.527 -0.002 0.000 0.300 613 F C 2.698 178.342 175.800 -0.259 0.000 1.090 613 F CA 1.407 59.258 58.000 -0.249 0.000 1.293 613 F CB -1.093 37.769 39.000 -0.231 0.000 1.013 613 F HN 0.091 nan 8.300 nan 0.000 0.486 614 S N -0.606 115.067 115.700 -0.045 0.000 2.470 614 S HA -0.076 4.393 4.470 -0.002 0.000 0.225 614 S C 1.587 176.112 174.600 -0.126 0.000 1.006 614 S CA 0.345 58.477 58.200 -0.114 0.000 0.934 614 S CB -0.486 62.634 63.200 -0.132 0.000 0.778 614 S HN 0.337 nan 8.310 nan 0.000 0.517 615 K N 0.661 120.994 120.400 -0.110 0.000 2.551 615 K HA 0.238 4.557 4.320 -0.002 0.000 0.192 615 K C 0.056 176.586 176.600 -0.117 0.000 1.027 615 K CA 0.217 56.445 56.287 -0.098 0.000 1.059 615 K CB -0.223 32.231 32.500 -0.077 0.000 0.831 615 K HN 0.520 nan 8.250 nan 0.000 0.508 616 M N -0.840 118.645 119.600 -0.192 0.000 2.314 616 M HA 0.152 4.630 4.480 -0.002 0.000 0.342 616 M C 1.461 177.538 176.300 -0.371 0.000 1.171 616 M CA -0.313 54.792 55.300 -0.326 0.000 1.098 616 M CB 1.381 33.627 32.600 -0.591 0.000 1.559 616 M HN 0.048 nan 8.290 nan 0.000 0.459 617 G N 1.354 110.004 108.800 -0.251 0.000 2.509 617 G HA2 -0.114 3.845 3.960 -0.002 0.000 0.218 617 G HA3 -0.114 3.845 3.960 -0.002 0.000 0.218 617 G C 0.774 175.665 174.900 -0.015 0.000 1.124 617 G CA 0.551 45.602 45.100 -0.083 0.000 0.776 617 G HN 0.788 nan 8.290 nan 0.000 0.547 618 F N -0.830 119.174 119.950 0.089 0.000 2.678 618 F HA 0.557 5.083 4.527 -0.002 0.000 0.305 618 F C 0.089 175.986 175.800 0.161 0.000 1.090 618 F CA -1.177 56.908 58.000 0.142 0.000 1.272 618 F CB -0.023 39.135 39.000 0.264 0.000 1.060 618 F HN -0.196 nan 8.300 nan 0.000 0.576 619 V N 2.334 122.146 119.914 -0.169 0.000 2.407 619 V HA 0.132 4.250 4.120 -0.002 0.000 0.278 619 V C -0.447 175.589 176.094 -0.097 0.000 1.037 619 V CA -0.726 61.515 62.300 -0.098 0.000 0.900 619 V CB 1.119 32.817 31.823 -0.209 0.000 0.983 619 V HN 0.106 nan 8.190 nan 0.000 0.459 620 D N 4.723 125.070 120.400 -0.089 0.000 2.359 620 D HA -0.002 4.637 4.640 -0.002 0.000 0.250 620 D C 1.393 177.613 176.300 -0.133 0.000 1.264 620 D CA -0.160 53.770 54.000 -0.116 0.000 0.911 620 D CB 0.504 41.222 40.800 -0.137 0.000 1.056 620 D HN 0.668 nan 8.370 nan 0.000 0.499 621 N N 3.709 122.341 118.700 -0.113 0.000 2.519 621 N HA -0.188 4.550 4.740 -0.002 0.000 0.186 621 N C 0.849 176.302 175.510 -0.096 0.000 1.062 621 N CA 0.581 53.563 53.050 -0.112 0.000 0.910 621 N CB 0.027 38.455 38.487 -0.099 0.000 0.958 621 N HN 0.360 nan 8.380 nan 0.000 0.445 622 K N -0.060 120.291 120.400 -0.083 0.000 2.459 622 K HA 0.156 4.474 4.320 -0.002 0.000 0.193 622 K C 0.291 176.869 176.600 -0.037 0.000 1.030 622 K CA 0.174 56.431 56.287 -0.051 0.000 1.026 622 K CB 0.319 32.796 32.500 -0.038 0.000 0.809 622 K HN 0.119 nan 8.250 nan 0.000 0.504 623 R N 0.935 121.367 120.500 -0.112 0.000 2.653 623 R HA 0.320 4.659 4.340 -0.002 0.000 0.269 623 R C -1.173 174.935 176.300 -0.319 0.000 1.603 623 R CA -0.155 55.836 56.100 -0.182 0.000 1.671 623 R CB 0.645 30.711 30.300 -0.390 0.000 1.300 623 R HN -0.010 nan 8.270 nan 0.000 0.668 624 I N 1.037 121.590 120.570 -0.027 0.000 2.404 624 I HA 0.574 4.742 4.170 -0.002 0.000 0.293 624 I C 0.012 176.324 176.117 0.325 0.000 0.992 624 I CA -0.634 60.662 61.300 -0.007 0.000 1.149 624 I CB 1.944 39.786 38.000 -0.263 0.000 1.315 624 I HN 0.288 nan 8.210 nan 0.000 0.446 625 A N 6.938 130.090 122.820 0.554 0.000 2.435 625 A HA 0.908 5.227 4.320 -0.002 0.000 0.296 625 A C -1.220 176.823 177.584 0.764 0.000 1.147 625 A CA -0.629 51.822 52.037 0.689 0.000 0.775 625 A CB 2.015 21.349 19.000 0.556 0.000 1.340 625 A HN 0.727 nan 8.150 nan 0.000 0.427 626 I N 0.922 121.862 120.570 0.617 0.000 2.571 626 I HA 0.635 4.804 4.170 -0.002 0.000 0.289 626 I C -1.880 174.508 176.117 0.451 0.000 1.115 626 I CA -0.565 61.003 61.300 0.447 0.000 1.045 626 I CB 1.275 39.275 38.000 0.001 0.000 1.238 626 I HN 0.889 nan 8.210 nan 0.000 0.424 627 W N 8.045 129.519 121.300 0.290 0.000 2.883 627 W HA 0.867 5.526 4.660 -0.002 0.000 0.335 627 W C -1.326 175.375 176.519 0.303 0.000 1.083 627 W CA -1.137 56.389 57.345 0.302 0.000 1.233 627 W CB 1.467 31.178 29.460 0.419 0.000 1.412 627 W HN 0.748 nan 8.180 nan 0.000 0.490 628 G N 2.613 111.380 108.800 -0.055 0.000 2.690 628 G HA2 0.541 4.500 3.960 -0.002 0.000 0.293 628 G HA3 0.541 4.500 3.960 -0.002 0.000 0.293 628 G C -2.706 172.143 174.900 -0.085 0.000 1.399 628 G CA -0.642 44.280 45.100 -0.296 0.000 0.890 628 G HN 0.558 nan 8.290 nan 0.000 0.485 629 W N 1.690 122.846 121.300 -0.240 0.000 2.475 629 W HA 0.601 5.259 4.660 -0.002 0.000 0.320 629 W C 0.408 176.939 176.519 0.022 0.000 1.022 629 W CA -0.240 57.064 57.345 -0.068 0.000 1.240 629 W CB 1.201 30.638 29.460 -0.038 0.000 1.328 629 W HN 0.968 nan 8.180 nan 0.000 0.439 630 S N 2.731 118.622 115.700 0.319 0.000 4.086 630 S HA -0.378 4.090 4.470 -0.002 0.000 0.627 630 S C 0.898 175.516 174.600 0.030 0.000 1.963 630 S CA 1.072 59.446 58.200 0.289 0.000 4.120 630 S CB -1.712 61.807 63.200 0.533 0.000 0.214 630 S HN 0.667 nan 8.310 nan 0.000 0.593 631 Y N 2.632 122.802 120.300 -0.217 0.000 2.228 631 Y HA -0.118 4.430 4.550 -0.002 0.000 0.285 631 Y C 2.243 178.012 175.900 -0.219 0.000 1.178 631 Y CA 2.779 60.703 58.100 -0.294 0.000 1.202 631 Y CB -1.012 37.125 38.460 -0.539 0.000 0.974 631 Y HN 0.552 nan 8.280 nan 0.000 0.527 632 G N -1.071 107.688 108.800 -0.068 0.000 2.446 632 G HA2 -0.267 3.691 3.960 -0.002 0.000 0.217 632 G HA3 -0.267 3.691 3.960 -0.002 0.000 0.217 632 G C 1.904 176.820 174.900 0.026 0.000 1.168 632 G CA 0.842 45.959 45.100 0.029 0.000 0.771 632 G HN 0.567 nan 8.290 nan 0.000 0.551 633 G N -0.877 107.935 108.800 0.020 0.000 2.511 633 G HA2 -0.037 3.921 3.960 -0.002 0.000 0.217 633 G HA3 -0.037 3.921 3.960 -0.002 0.000 0.217 633 G C 1.508 176.405 174.900 -0.005 0.000 1.133 633 G CA 0.909 46.013 45.100 0.006 0.000 0.792 633 G HN 0.477 nan 8.290 nan 0.000 0.539 634 Y N 1.069 121.253 120.300 -0.193 0.000 2.206 634 Y HA 0.005 4.553 4.550 -0.002 0.000 0.292 634 Y C 2.611 178.392 175.900 -0.199 0.000 1.123 634 Y CA 1.263 59.196 58.100 -0.278 0.000 1.142 634 Y CB -0.291 37.856 38.460 -0.521 0.000 1.006 634 Y HN -0.008 nan 8.280 nan 0.000 0.518 635 V N 0.428 120.217 119.914 -0.207 0.000 2.282 635 V HA -0.376 3.743 4.120 -0.002 0.000 0.249 635 V C 2.287 178.243 176.094 -0.231 0.000 1.057 635 V CA 2.552 64.731 62.300 -0.202 0.000 1.032 635 V CB -1.236 30.643 31.823 0.094 0.000 0.645 635 V HN 0.557 nan 8.190 nan 0.000 0.447 636 T N -0.036 114.433 114.554 -0.142 0.000 2.580 636 T HA -0.243 4.105 4.350 -0.002 0.000 0.265 636 T C 2.100 176.664 174.700 -0.227 0.000 1.063 636 T CA 2.103 64.115 62.100 -0.148 0.000 1.170 636 T CB -0.462 68.393 68.868 -0.021 0.000 0.863 636 T HN 0.537 nan 8.240 nan 0.000 0.418 637 S N 1.339 116.930 115.700 -0.180 0.000 2.372 637 S HA -0.158 4.310 4.470 -0.002 0.000 0.227 637 S C 2.169 176.600 174.600 -0.282 0.000 1.044 637 S CA 1.295 59.375 58.200 -0.200 0.000 1.050 637 S CB -0.459 62.682 63.200 -0.098 0.000 0.901 637 S HN 0.270 nan 8.310 nan 0.000 0.447 638 M N 1.008 120.376 119.600 -0.386 0.000 2.082 638 M HA -0.073 4.406 4.480 -0.002 0.000 0.258 638 M C 2.197 178.299 176.300 -0.331 0.000 1.071 638 M CA 1.347 56.418 55.300 -0.382 0.000 1.103 638 M CB -1.716 30.582 32.600 -0.504 0.000 1.307 638 M HN 0.171 nan 8.290 nan 0.000 0.409 639 V N 0.025 119.739 119.914 -0.334 0.000 3.186 639 V HA -0.173 3.945 4.120 -0.002 0.000 0.270 639 V C 2.218 178.048 176.094 -0.440 0.000 1.149 639 V CA 0.937 63.031 62.300 -0.343 0.000 1.160 639 V CB -0.660 30.930 31.823 -0.389 0.000 0.758 639 V HN 0.419 nan 8.190 nan 0.000 0.516 640 L N -0.706 120.218 121.223 -0.498 0.000 2.638 640 L HA 0.300 4.638 4.340 -0.002 0.000 0.232 640 L C 1.932 178.261 176.870 -0.902 0.000 1.099 640 L CA 0.898 55.364 54.840 -0.624 0.000 0.883 640 L CB 0.328 42.014 42.059 -0.621 0.000 1.136 640 L HN 0.443 nan 8.230 nan 0.000 0.492 641 G N -1.428 106.895 108.800 -0.794 0.000 3.377 641 G HA2 -0.031 3.927 3.960 -0.002 0.000 0.257 641 G HA3 -0.031 3.927 3.960 -0.002 0.000 0.257 641 G C 1.419 176.130 174.900 -0.314 0.000 1.038 641 G CA 0.641 45.308 45.100 -0.721 0.000 0.809 641 G HN 0.334 nan 8.290 nan 0.000 0.526 642 S N 0.492 116.027 115.700 -0.275 0.000 2.380 642 S HA 0.090 4.559 4.470 -0.002 0.000 0.229 642 S C 1.932 176.463 174.600 -0.115 0.000 1.043 642 S CA 1.205 59.310 58.200 -0.157 0.000 1.038 642 S CB -0.745 62.372 63.200 -0.138 0.000 0.872 642 S HN 1.630 nan 8.310 nan 0.000 0.456 643 G N 0.908 109.627 108.800 -0.135 0.000 2.324 643 G HA2 -0.222 3.736 3.960 -0.002 0.000 0.292 643 G HA3 -0.222 3.736 3.960 -0.002 0.000 0.292 643 G C 0.577 175.454 174.900 -0.038 0.000 1.079 643 G CA 0.785 45.837 45.100 -0.079 0.000 1.026 643 G HN 1.285 nan 8.290 nan 0.000 0.506 644 S N -1.426 114.263 115.700 -0.018 0.000 2.475 644 S HA 0.448 4.916 4.470 -0.002 0.000 0.224 644 S C 2.297 176.906 174.600 0.015 0.000 1.042 644 S CA 1.402 59.607 58.200 0.008 0.000 0.935 644 S CB 0.463 63.689 63.200 0.044 0.000 0.801 644 S HN 2.394 nan 8.310 nan 0.000 0.509 645 G N 0.519 109.339 108.800 0.033 0.000 2.234 645 G HA2 -0.308 3.650 3.960 -0.002 0.000 0.235 645 G HA3 -0.308 3.650 3.960 -0.002 0.000 0.235 645 G C 0.873 175.782 174.900 0.015 0.000 0.997 645 G CA 0.238 45.350 45.100 0.021 0.000 0.623 645 G HN 0.571 nan 8.290 nan 0.000 0.514 646 V N 0.650 120.572 119.914 0.014 0.000 2.261 646 V HA 0.137 4.256 4.120 -0.002 0.000 0.246 646 V C 1.612 177.615 176.094 -0.152 0.000 1.047 646 V CA 1.848 64.086 62.300 -0.104 0.000 1.015 646 V CB -0.585 31.139 31.823 -0.166 0.000 0.642 646 V HN 0.288 nan 8.190 nan 0.000 0.446 647 F N 0.402 120.355 119.950 0.004 0.000 2.412 647 F HA 0.269 4.795 4.527 -0.002 0.000 0.348 647 F C 1.271 177.105 175.800 0.055 0.000 1.102 647 F CA 0.091 58.118 58.000 0.045 0.000 1.196 647 F CB 0.681 39.704 39.000 0.038 0.000 1.144 647 F HN -0.137 nan 8.300 nan 0.000 0.541 648 K N 1.804 122.362 120.400 0.264 0.000 2.244 648 K HA 0.167 4.485 4.320 -0.002 0.000 0.200 648 K C -0.250 176.480 176.600 0.218 0.000 1.052 648 K CA 0.776 57.183 56.287 0.201 0.000 0.980 648 K CB 0.352 32.967 32.500 0.192 0.000 0.838 648 K HN 0.785 nan 8.250 nan 0.000 0.481 649 c N -2.425 116.348 118.600 0.288 0.000 3.292 649 c HA 0.843 5.411 4.570 -0.002 0.000 0.338 649 c C -0.289 174.034 174.090 0.387 0.000 1.323 649 c CA -0.561 55.951 56.329 0.305 0.000 1.232 649 c CB 1.096 43.719 42.510 0.188 0.000 1.517 649 c HN 0.353 nan 8.230 nan 0.000 0.470 650 G N 0.199 109.276 108.800 0.462 0.000 2.660 650 G HA2 0.760 4.719 3.960 -0.002 0.000 0.290 650 G HA3 0.760 4.719 3.960 -0.002 0.000 0.290 650 G C -1.971 173.212 174.900 0.472 0.000 1.432 650 G CA -0.788 44.580 45.100 0.447 0.000 0.807 650 G HN 1.024 nan 8.290 nan 0.000 0.485 651 I N 0.436 121.256 120.570 0.417 0.000 2.509 651 I HA 0.621 4.790 4.170 -0.002 0.000 0.293 651 I C 0.087 176.387 176.117 0.305 0.000 1.020 651 I CA -1.031 60.418 61.300 0.249 0.000 1.088 651 I CB 2.349 40.495 38.000 0.244 0.000 1.267 651 I HN 0.618 nan 8.210 nan 0.000 0.430 652 A N 6.270 129.202 122.820 0.187 0.000 2.285 652 A HA 0.676 4.994 4.320 -0.002 0.000 0.310 652 A C -0.780 176.765 177.584 -0.065 0.000 1.266 652 A CA -0.468 51.653 52.037 0.141 0.000 0.832 652 A CB 0.875 20.045 19.000 0.284 0.000 1.163 652 A HN 0.429 nan 8.150 nan 0.000 0.499 653 V N 2.415 122.242 119.914 -0.145 0.000 2.348 653 V HA 0.526 4.645 4.120 -0.002 0.000 0.270 653 V C 0.933 176.654 176.094 -0.621 0.000 1.037 653 V CA 0.650 62.646 62.300 -0.507 0.000 0.872 653 V CB 0.269 31.534 31.823 -0.929 0.000 1.002 653 V HN 2.095 nan 8.190 nan 0.000 0.464 654 A N 5.699 128.157 122.820 -0.603 0.000 2.876 654 A HA -0.076 4.243 4.320 -0.002 0.000 0.287 654 A C -2.065 175.328 177.584 -0.317 0.000 1.455 654 A CA 0.213 51.810 52.037 -0.734 0.000 0.744 654 A CB -1.649 17.019 19.000 -0.554 0.000 1.041 654 A HN 0.602 nan 8.150 nan 0.000 0.500 655 P HA 0.541 nan 4.420 nan 0.000 0.290 655 P C 0.512 177.704 177.300 -0.180 0.000 1.275 655 P CA -0.318 62.704 63.100 -0.129 0.000 0.841 655 P CB 1.508 33.173 31.700 -0.059 0.000 1.042 656 V N 1.842 121.533 119.914 -0.372 0.000 3.503 656 V HA 0.108 4.227 4.120 -0.002 0.000 0.300 656 V C 1.725 177.571 176.094 -0.414 0.000 1.099 656 V CA 1.259 63.183 62.300 -0.626 0.000 1.117 656 V CB 0.305 31.290 31.823 -1.396 0.000 1.122 656 V HN 0.922 nan 8.190 nan 0.000 0.476 657 S N 0.102 115.527 115.700 -0.460 0.000 3.102 657 S HA 0.260 4.729 4.470 -0.002 0.000 0.265 657 S C 0.381 174.787 174.600 -0.324 0.000 1.072 657 S CA -0.285 57.793 58.200 -0.204 0.000 0.946 657 S CB 0.298 63.458 63.200 -0.066 0.000 0.901 657 S HN 0.686 nan 8.310 nan 0.000 0.437 658 R N -0.556 119.639 120.500 -0.508 0.000 2.538 658 R HA 0.477 4.815 4.340 -0.002 0.000 0.292 658 R C -0.985 175.027 176.300 -0.479 0.000 1.008 658 R CA -0.665 55.100 56.100 -0.560 0.000 0.896 658 R CB 0.789 30.566 30.300 -0.870 0.000 1.187 658 R HN 0.303 nan 8.270 nan 0.000 0.440 659 W N 1.992 123.199 121.300 -0.156 0.000 2.465 659 W HA -0.034 4.625 4.660 -0.002 0.000 0.268 659 W C 1.085 177.738 176.519 0.223 0.000 1.242 659 W CA 0.418 57.765 57.345 0.003 0.000 1.248 659 W CB 0.464 29.881 29.460 -0.071 0.000 1.118 659 W HN 0.714 nan 8.180 nan 0.000 0.587 660 E N -1.026 119.361 120.200 0.311 0.000 2.409 660 E HA -0.182 4.166 4.350 -0.002 0.000 0.198 660 E C 1.178 177.946 176.600 0.280 0.000 1.024 660 E CA 0.874 57.377 56.400 0.172 0.000 0.861 660 E CB -0.405 29.276 29.700 -0.032 0.000 0.788 660 E HN 0.332 nan 8.360 nan 0.000 0.521 661 Y N -1.365 119.018 120.300 0.139 0.000 2.511 661 Y HA 0.124 4.672 4.550 -0.002 0.000 0.279 661 Y C 0.495 176.474 175.900 0.132 0.000 1.157 661 Y CA -0.442 57.703 58.100 0.074 0.000 1.300 661 Y CB -0.321 38.125 38.460 -0.024 0.000 1.052 661 Y HN 0.029 nan 8.280 nan 0.000 0.529 662 Y N 1.239 121.686 120.300 0.245 0.000 2.565 662 Y HA 0.343 4.892 4.550 -0.002 0.000 0.325 662 Y C 0.038 176.148 175.900 0.350 0.000 1.221 662 Y CA -2.318 55.925 58.100 0.238 0.000 1.316 662 Y CB 0.481 39.111 38.460 0.283 0.000 1.404 662 Y HN 0.124 nan 8.280 nan 0.000 0.527 663 D N -0.651 119.460 120.400 -0.482 0.000 2.362 663 D HA 0.118 4.756 4.640 -0.002 0.000 0.242 663 D C 0.860 177.124 176.300 -0.059 0.000 1.132 663 D CA 0.345 54.131 54.000 -0.357 0.000 0.907 663 D CB 1.099 41.435 40.800 -0.773 0.000 1.195 663 D HN 0.476 nan 8.370 nan 0.000 0.429 664 S N 1.177 116.863 115.700 -0.023 0.000 2.368 664 S HA -0.189 4.279 4.470 -0.002 0.000 0.224 664 S C 1.880 176.515 174.600 0.059 0.000 1.029 664 S CA 1.143 59.387 58.200 0.072 0.000 0.988 664 S CB -0.995 62.255 63.200 0.083 0.000 0.838 664 S HN 0.443 nan 8.310 nan 0.000 0.462 665 V N 0.852 120.754 119.914 -0.020 0.000 2.233 665 V HA -0.183 3.936 4.120 -0.002 0.000 0.247 665 V C 2.347 178.396 176.094 -0.074 0.000 1.050 665 V CA 2.216 64.432 62.300 -0.140 0.000 1.010 665 V CB -1.375 30.270 31.823 -0.297 0.000 0.637 665 V HN 0.569 nan 8.190 nan 0.000 0.444 666 Y N 1.752 122.014 120.300 -0.063 0.000 2.109 666 Y HA -0.230 4.319 4.550 -0.002 0.000 0.285 666 Y C 2.765 178.748 175.900 0.138 0.000 1.131 666 Y CA 2.345 60.502 58.100 0.094 0.000 1.121 666 Y CB -0.822 37.822 38.460 0.306 0.000 0.987 666 Y HN 0.238 nan 8.280 nan 0.000 0.495 667 T N 0.338 115.190 114.554 0.496 0.000 2.622 667 T HA -0.241 4.107 4.350 -0.002 0.000 0.266 667 T C 1.628 176.354 174.700 0.043 0.000 1.047 667 T CA 2.003 64.273 62.100 0.284 0.000 1.159 667 T CB -0.430 68.670 68.868 0.386 0.000 0.863 667 T HN 0.429 nan 8.240 nan 0.000 0.422 668 E N 0.350 120.583 120.200 0.054 0.000 2.265 668 E HA -0.050 4.299 4.350 -0.002 0.000 0.196 668 E C 2.418 178.931 176.600 -0.146 0.000 0.996 668 E CA 0.211 56.623 56.400 0.020 0.000 0.832 668 E CB -0.081 29.667 29.700 0.080 0.000 0.756 668 E HN 0.272 nan 8.360 nan 0.000 0.491 669 R N -0.396 119.877 120.500 -0.377 0.000 2.159 669 R HA -0.169 4.170 4.340 -0.002 0.000 0.237 669 R C 0.943 176.735 176.300 -0.847 0.000 1.131 669 R CA 1.350 57.005 56.100 -0.742 0.000 0.982 669 R CB 0.132 29.621 30.300 -1.353 0.000 0.868 669 R HN 0.285 nan 8.270 nan 0.000 0.453 670 Y N -3.179 116.862 120.300 -0.432 0.000 2.526 670 Y HA 0.172 4.721 4.550 -0.002 0.000 0.265 670 Y C 1.678 177.383 175.900 -0.326 0.000 1.092 670 Y CA 0.007 57.812 58.100 -0.490 0.000 1.277 670 Y CB 0.433 38.489 38.460 -0.672 0.000 1.228 670 Y HN -0.116 nan 8.280 nan 0.000 0.507 671 M N -0.932 118.572 119.600 -0.161 0.000 2.379 671 M HA 0.396 4.875 4.480 -0.002 0.000 0.265 671 M C 1.282 177.552 176.300 -0.051 0.000 1.095 671 M CA 0.859 56.017 55.300 -0.236 0.000 1.075 671 M CB -0.279 31.966 32.600 -0.591 0.000 1.443 671 M HN 0.317 nan 8.290 nan 0.000 0.519 672 G N 1.614 110.424 108.800 0.017 0.000 2.509 672 G HA2 -0.239 3.719 3.960 -0.002 0.000 0.259 672 G HA3 -0.239 3.719 3.960 -0.002 0.000 0.259 672 G C -0.484 174.545 174.900 0.214 0.000 1.169 672 G CA -0.537 44.619 45.100 0.094 0.000 0.953 672 G HN 0.322 nan 8.290 nan 0.000 0.563 673 L N 2.457 123.808 121.223 0.214 0.000 2.313 673 L HA 0.421 4.759 4.340 -0.002 0.000 0.283 673 L C -1.703 175.243 176.870 0.126 0.000 1.013 673 L CA -1.857 53.078 54.840 0.159 0.000 0.816 673 L CB 2.429 44.530 42.059 0.071 0.000 1.236 673 L HN 0.408 nan 8.230 nan 0.000 0.419 674 P HA 0.011 nan 4.420 nan 0.000 0.237 674 P C -0.326 176.876 177.300 -0.164 0.000 1.701 674 P CA 0.095 62.889 63.100 -0.510 0.000 0.955 674 P CB -0.701 30.382 31.700 -1.029 0.000 1.937 675 T N -3.102 111.437 114.554 -0.025 0.000 2.907 675 T HA 0.485 4.834 4.350 -0.002 0.000 0.292 675 T C -2.367 172.352 174.700 0.032 0.000 1.043 675 T CA -2.483 59.614 62.100 -0.004 0.000 1.003 675 T CB 2.195 71.064 68.868 0.000 0.000 1.084 675 T HN -0.295 nan 8.240 nan 0.000 0.483 676 P HA -0.062 nan 4.420 nan 0.000 0.216 676 P C 0.678 178.001 177.300 0.039 0.000 1.150 676 P CA 1.089 64.211 63.100 0.037 0.000 0.837 676 P CB -0.054 31.661 31.700 0.026 0.000 0.786 677 E N -1.440 118.779 120.200 0.030 0.000 2.512 677 E HA -0.023 4.325 4.350 -0.002 0.000 0.195 677 E C 1.022 177.644 176.600 0.035 0.000 1.083 677 E CA 0.444 56.860 56.400 0.028 0.000 0.873 677 E CB -0.397 29.314 29.700 0.019 0.000 0.897 677 E HN 0.297 nan 8.360 nan 0.000 0.514 678 D N 0.117 120.547 120.400 0.050 0.000 2.973 678 D HA 0.089 4.727 4.640 -0.002 0.000 0.187 678 D C 0.102 176.457 176.300 0.092 0.000 1.467 678 D CA 0.026 54.065 54.000 0.065 0.000 1.515 678 D CB -0.033 40.808 40.800 0.068 0.000 1.182 678 D HN 0.049 nan 8.370 nan 0.000 0.213 679 N N 0.012 118.797 118.700 0.142 0.000 2.301 679 N HA 0.040 4.779 4.740 -0.002 0.000 0.247 679 N C 0.942 176.642 175.510 0.317 0.000 1.347 679 N CA -0.053 53.116 53.050 0.198 0.000 0.844 679 N CB 1.077 39.681 38.487 0.195 0.000 1.332 679 N HN -0.019 nan 8.380 nan 0.000 0.494 680 L N 1.249 122.607 121.223 0.224 0.000 2.187 680 L HA -0.076 4.263 4.340 -0.002 0.000 0.213 680 L C 1.398 178.393 176.870 0.207 0.000 1.100 680 L CA 1.817 56.782 54.840 0.209 0.000 0.765 680 L CB -0.444 41.660 42.059 0.076 0.000 0.904 680 L HN 0.128 nan 8.230 nan 0.000 0.437 681 D N -1.234 119.265 120.400 0.165 0.000 2.106 681 D HA -0.248 4.391 4.640 -0.002 0.000 0.191 681 D C 1.725 178.151 176.300 0.210 0.000 0.997 681 D CA 1.687 55.776 54.000 0.148 0.000 0.834 681 D CB -0.056 40.810 40.800 0.110 0.000 0.956 681 D HN 0.459 nan 8.370 nan 0.000 0.448 682 H N -1.463 117.650 119.070 0.071 0.000 2.539 682 H HA 0.159 4.714 4.556 -0.002 0.000 0.269 682 H C 0.940 176.298 175.328 0.051 0.000 0.980 682 H CA 0.160 56.231 56.048 0.039 0.000 1.152 682 H CB -0.176 29.575 29.762 -0.018 0.000 1.407 682 H HN 0.214 nan 8.280 nan 0.000 0.564 683 Y N -0.350 119.968 120.300 0.030 0.000 2.293 683 Y HA -0.090 4.459 4.550 -0.002 0.000 0.291 683 Y C 2.618 178.496 175.900 -0.037 0.000 1.137 683 Y CA 1.181 59.287 58.100 0.009 0.000 1.202 683 Y CB 0.250 38.732 38.460 0.037 0.000 0.990 683 Y HN 0.090 nan 8.280 nan 0.000 0.537 684 R N -0.264 120.320 120.500 0.140 0.000 2.140 684 R HA -0.075 4.263 4.340 -0.002 0.000 0.213 684 R C 1.930 178.247 176.300 0.028 0.000 1.059 684 R CA 0.572 56.713 56.100 0.069 0.000 1.000 684 R CB -0.077 30.270 30.300 0.079 0.000 0.910 684 R HN 0.218 nan 8.270 nan 0.000 0.455 685 N N 0.415 119.138 118.700 0.037 0.000 2.396 685 N HA -0.079 4.660 4.740 -0.002 0.000 0.180 685 N C -0.147 175.321 175.510 -0.070 0.000 1.028 685 N CA 1.141 54.245 53.050 0.090 0.000 0.893 685 N CB 0.255 39.100 38.487 0.597 0.000 0.967 685 N HN 0.122 nan 8.380 nan 0.000 0.440 686 S N -0.357 115.185 115.700 -0.262 0.000 2.143 686 S HA 0.250 4.718 4.470 -0.002 0.000 0.188 686 S C -0.176 174.405 174.600 -0.031 0.000 1.431 686 S CA -0.859 57.223 58.200 -0.197 0.000 1.253 686 S CB 0.170 63.152 63.200 -0.364 0.000 1.137 686 S HN 0.124 nan 8.310 nan 0.000 0.457 687 T N -1.722 112.808 114.554 -0.041 0.000 2.841 687 T HA 0.521 4.869 4.350 -0.002 0.000 0.283 687 T C 1.291 175.963 174.700 -0.046 0.000 1.000 687 T CA -0.757 61.314 62.100 -0.048 0.000 0.977 687 T CB 1.378 70.189 68.868 -0.095 0.000 0.979 687 T HN 0.017 nan 8.240 nan 0.000 0.446 688 V N 2.488 122.377 119.914 -0.042 0.000 2.277 688 V HA -0.292 3.826 4.120 -0.002 0.000 0.253 688 V C 2.664 178.726 176.094 -0.054 0.000 1.067 688 V CA 2.422 64.680 62.300 -0.070 0.000 1.047 688 V CB -1.028 30.753 31.823 -0.069 0.000 0.649 688 V HN 0.888 nan 8.190 nan 0.000 0.447 689 M N 1.128 120.686 119.600 -0.071 0.000 2.108 689 M HA -0.189 4.290 4.480 -0.002 0.000 0.257 689 M C 2.241 178.519 176.300 -0.037 0.000 1.071 689 M CA 2.379 57.638 55.300 -0.069 0.000 1.093 689 M CB -0.855 31.712 32.600 -0.055 0.000 1.345 689 M HN 0.588 nan 8.290 nan 0.000 0.403 690 S N -0.717 114.971 115.700 -0.021 0.000 2.603 690 S HA -0.028 4.441 4.470 -0.002 0.000 0.229 690 S C 1.414 176.026 174.600 0.020 0.000 0.972 690 S CA 0.445 58.645 58.200 -0.000 0.000 0.935 690 S CB -0.504 62.697 63.200 0.001 0.000 0.769 690 S HN 0.510 nan 8.310 nan 0.000 0.536 691 R N 0.353 120.879 120.500 0.043 0.000 2.552 691 R HA 0.475 4.813 4.340 -0.002 0.000 0.314 691 R C 1.862 178.284 176.300 0.203 0.000 1.041 691 R CA 0.368 56.522 56.100 0.090 0.000 1.076 691 R CB -0.101 30.237 30.300 0.064 0.000 1.290 691 R HN 0.437 nan 8.270 nan 0.000 0.563 692 A N 1.678 124.564 122.820 0.111 0.000 1.873 692 A HA -0.209 4.109 4.320 -0.002 0.000 0.218 692 A C 1.765 179.470 177.584 0.201 0.000 1.193 692 A CA 1.318 53.410 52.037 0.092 0.000 0.629 692 A CB -0.133 18.862 19.000 -0.009 0.000 0.826 692 A HN 0.228 nan 8.150 nan 0.000 0.447 693 E N 0.185 120.459 120.200 0.124 0.000 2.401 693 E HA -0.131 4.217 4.350 -0.002 0.000 0.199 693 E C 0.656 177.316 176.600 0.100 0.000 1.023 693 E CA 0.671 57.132 56.400 0.102 0.000 0.859 693 E CB -0.270 29.467 29.700 0.062 0.000 0.780 693 E HN 0.576 nan 8.360 nan 0.000 0.523 694 N N -0.484 118.275 118.700 0.099 0.000 2.336 694 N HA 0.018 4.757 4.740 -0.002 0.000 0.189 694 N C 0.796 176.266 175.510 -0.066 0.000 1.113 694 N CA 0.077 53.124 53.050 -0.005 0.000 0.858 694 N CB -0.049 38.390 38.487 -0.080 0.000 0.970 694 N HN 0.116 nan 8.380 nan 0.000 0.471 695 F N 1.502 121.433 119.950 -0.032 0.000 2.780 695 F HA 0.131 4.656 4.527 -0.002 0.000 0.299 695 F C 1.781 177.606 175.800 0.041 0.000 1.146 695 F CA 0.500 58.484 58.000 -0.027 0.000 1.428 695 F CB 0.324 39.294 39.000 -0.049 0.000 1.115 695 F HN -0.065 nan 8.300 nan 0.000 0.583 696 K N -0.250 120.258 120.400 0.179 0.000 2.365 696 K HA -0.123 4.196 4.320 -0.002 0.000 0.199 696 K C 1.358 178.021 176.600 0.105 0.000 1.045 696 K CA 0.788 57.163 56.287 0.147 0.000 0.962 696 K CB -0.219 32.348 32.500 0.113 0.000 0.759 696 K HN 0.355 nan 8.250 nan 0.000 0.469 697 Q N 0.716 120.552 119.800 0.060 0.000 2.451 697 Q HA 0.014 4.353 4.340 -0.002 0.000 0.206 697 Q C 0.529 176.565 176.000 0.059 0.000 0.947 697 Q CA 0.144 55.972 55.803 0.042 0.000 0.937 697 Q CB 0.617 29.360 28.738 0.008 0.000 1.025 697 Q HN 0.214 nan 8.270 nan 0.000 0.511 698 V N -3.722 116.241 119.914 0.082 0.000 3.181 698 V HA 0.483 4.601 4.120 -0.002 0.000 0.308 698 V C -1.426 174.807 176.094 0.231 0.000 1.214 698 V CA -1.227 61.149 62.300 0.126 0.000 1.053 698 V CB 2.429 34.287 31.823 0.058 0.000 1.069 698 V HN -0.108 nan 8.190 nan 0.000 0.441 699 E N 1.688 122.064 120.200 0.292 0.000 2.063 699 E HA 0.377 4.725 4.350 -0.002 0.000 0.265 699 E C -1.802 175.152 176.600 0.591 0.000 0.919 699 E CA -0.534 56.111 56.400 0.410 0.000 0.756 699 E CB 1.089 31.000 29.700 0.351 0.000 1.120 699 E HN 0.639 nan 8.360 nan 0.000 0.414 700 Y N 3.930 124.452 120.300 0.370 0.000 2.313 700 Y HA 0.375 4.924 4.550 -0.002 0.000 0.332 700 Y C -1.102 174.870 175.900 0.121 0.000 1.071 700 Y CA -1.453 56.816 58.100 0.282 0.000 1.169 700 Y CB 0.765 39.412 38.460 0.313 0.000 1.192 700 Y HN 0.360 nan 8.280 nan 0.000 0.487 701 L N 8.730 129.831 121.223 -0.203 0.000 2.388 701 L HA 0.496 4.835 4.340 -0.002 0.000 0.267 701 L C -1.947 174.577 176.870 -0.578 0.000 0.995 701 L CA -0.731 53.766 54.840 -0.571 0.000 0.864 701 L CB 0.836 42.190 42.059 -1.175 0.000 1.216 701 L HN 0.634 nan 8.230 nan 0.000 0.430 702 L N 5.692 126.516 121.223 -0.665 0.000 2.331 702 L HA 0.814 5.153 4.340 -0.002 0.000 0.275 702 L C -1.179 175.552 176.870 -0.232 0.000 1.022 702 L CA -0.138 54.367 54.840 -0.558 0.000 0.812 702 L CB 1.452 43.006 42.059 -0.842 0.000 1.257 702 L HN 0.590 nan 8.230 nan 0.000 0.435 703 I N 3.257 123.732 120.570 -0.158 0.000 2.692 703 I HA 0.435 4.604 4.170 -0.002 0.000 0.293 703 I C -1.317 174.796 176.117 -0.007 0.000 1.200 703 I CA -0.651 60.629 61.300 -0.033 0.000 1.036 703 I CB 2.141 40.101 38.000 -0.067 0.000 1.258 703 I HN 0.753 nan 8.210 nan 0.000 0.421 704 H N 1.711 120.842 119.070 0.101 0.000 3.042 704 H HA 0.564 5.119 4.556 -0.002 0.000 0.346 704 H C -0.583 174.962 175.328 0.362 0.000 1.294 704 H CA -0.624 55.511 56.048 0.144 0.000 1.141 704 H CB 2.395 32.184 29.762 0.046 0.000 1.872 704 H HN 0.760 nan 8.280 nan 0.000 0.541 705 G N 0.346 109.542 108.800 0.659 0.000 2.348 705 G HA2 0.268 4.226 3.960 -0.002 0.000 0.312 705 G HA3 0.268 4.226 3.960 -0.002 0.000 0.312 705 G C 1.069 176.223 174.900 0.423 0.000 1.126 705 G CA 0.078 45.490 45.100 0.521 0.000 0.865 705 G HN 0.740 nan 8.290 nan 0.000 0.474 706 T N -0.125 114.585 114.554 0.259 0.000 2.746 706 T HA -0.121 4.227 4.350 -0.002 0.000 0.267 706 T C 2.248 176.902 174.700 -0.077 0.000 1.039 706 T CA 1.646 63.710 62.100 -0.059 0.000 1.142 706 T CB -0.108 68.690 68.868 -0.117 0.000 0.866 706 T HN 0.662 nan 8.240 nan 0.000 0.444 707 A N 1.151 124.015 122.820 0.073 0.000 2.251 707 A HA 0.169 4.488 4.320 -0.002 0.000 0.209 707 A C 1.012 178.543 177.584 -0.089 0.000 1.187 707 A CA -0.107 51.961 52.037 0.052 0.000 0.823 707 A CB -0.601 18.672 19.000 0.455 0.000 0.846 707 A HN 0.459 nan 8.150 nan 0.000 0.486 708 D N 1.829 122.253 120.400 0.040 0.000 2.518 708 D HA -0.096 4.543 4.640 -0.002 0.000 0.270 708 D C 0.405 176.679 176.300 -0.044 0.000 1.338 708 D CA 0.743 54.830 54.000 0.146 0.000 0.983 708 D CB 0.323 41.343 40.800 0.367 0.000 1.126 708 D HN 0.608 nan 8.370 nan 0.000 0.543 709 D N 2.004 122.429 120.400 0.042 0.000 2.347 709 D HA -0.118 4.520 4.640 -0.002 0.000 0.213 709 D C 1.187 177.547 176.300 0.099 0.000 0.985 709 D CA 0.097 54.087 54.000 -0.017 0.000 0.879 709 D CB 0.055 40.794 40.800 -0.102 0.000 0.919 709 D HN 0.448 nan 8.370 nan 0.000 0.526 710 N N 0.151 118.953 118.700 0.169 0.000 2.178 710 N HA -0.054 4.685 4.740 -0.002 0.000 0.189 710 N C -0.133 175.349 175.510 -0.045 0.000 1.048 710 N CA 0.480 53.634 53.050 0.173 0.000 0.855 710 N CB 0.569 39.068 38.487 0.021 0.000 1.028 710 N HN -0.154 nan 8.380 nan 0.000 0.441 711 V N 1.952 121.760 119.914 -0.177 0.000 2.311 711 V HA 0.204 4.322 4.120 -0.002 0.000 0.275 711 V C -1.099 174.995 176.094 0.000 0.000 1.022 711 V CA -0.409 61.807 62.300 -0.141 0.000 0.830 711 V CB 0.475 32.234 31.823 -0.107 0.000 1.012 711 V HN 0.333 nan 8.190 nan 0.000 0.452 712 H N 4.306 123.333 119.070 -0.073 0.000 2.722 712 H HA 0.104 4.659 4.556 -0.002 0.000 0.328 712 H C 0.804 175.962 175.328 -0.282 0.000 1.067 712 H CA -0.433 55.495 56.048 -0.200 0.000 1.447 712 H CB 0.639 30.227 29.762 -0.290 0.000 1.469 712 H HN 0.624 nan 8.280 nan 0.000 0.544 713 F N 2.250 121.894 119.950 -0.511 0.000 2.090 713 F HA -0.457 4.069 4.527 -0.002 0.000 0.291 713 F C 2.521 178.089 175.800 -0.386 0.000 1.046 713 F CA 2.312 59.891 58.000 -0.702 0.000 1.290 713 F CB -0.215 38.555 39.000 -0.384 0.000 1.021 713 F HN 0.698 nan 8.300 nan 0.000 0.493 714 Q N -0.185 119.524 119.800 -0.152 0.000 2.062 714 Q HA -0.320 4.018 4.340 -0.002 0.000 0.209 714 Q C 2.256 178.107 176.000 -0.249 0.000 0.996 714 Q CA 2.433 58.106 55.803 -0.216 0.000 0.859 714 Q CB -0.315 28.247 28.738 -0.292 0.000 0.920 714 Q HN 0.609 nan 8.270 nan 0.000 0.415 715 Q N -0.413 119.289 119.800 -0.163 0.000 2.096 715 Q HA -0.181 4.158 4.340 -0.002 0.000 0.208 715 Q C 2.256 178.219 176.000 -0.062 0.000 0.993 715 Q CA 1.907 57.712 55.803 0.002 0.000 0.862 715 Q CB -0.334 28.413 28.738 0.015 0.000 0.915 715 Q HN 0.309 nan 8.270 nan 0.000 0.416 716 S N 0.533 116.137 115.700 -0.161 0.000 2.387 716 S HA -0.030 4.438 4.470 -0.002 0.000 0.226 716 S C 2.058 176.476 174.600 -0.303 0.000 1.026 716 S CA 0.809 58.888 58.200 -0.201 0.000 0.972 716 S CB -0.166 62.922 63.200 -0.186 0.000 0.814 716 S HN 0.503 nan 8.310 nan 0.000 0.477 717 A N 1.625 124.188 122.820 -0.428 0.000 1.877 717 A HA -0.142 4.177 4.320 -0.002 0.000 0.216 717 A C 2.108 179.613 177.584 -0.131 0.000 1.186 717 A CA 1.195 53.059 52.037 -0.288 0.000 0.620 717 A CB -0.582 18.305 19.000 -0.188 0.000 0.822 717 A HN 0.374 nan 8.150 nan 0.000 0.443 718 Q N -0.323 119.422 119.800 -0.092 0.000 2.181 718 Q HA -0.138 4.201 4.340 -0.002 0.000 0.205 718 Q C 2.101 178.069 176.000 -0.055 0.000 0.980 718 Q CA 1.273 57.068 55.803 -0.013 0.000 0.862 718 Q CB -0.465 28.350 28.738 0.129 0.000 0.905 718 Q HN 0.790 nan 8.270 nan 0.000 0.429 719 I N 0.933 121.442 120.570 -0.102 0.000 2.179 719 I HA -0.290 3.879 4.170 -0.002 0.000 0.242 719 I C 2.578 178.555 176.117 -0.234 0.000 1.088 719 I CA 1.552 62.753 61.300 -0.165 0.000 1.357 719 I CB -0.361 37.543 38.000 -0.160 0.000 1.051 719 I HN 0.218 nan 8.210 nan 0.000 0.409 720 S N 0.442 116.019 115.700 -0.204 0.000 2.383 720 S HA -0.225 4.244 4.470 -0.002 0.000 0.227 720 S C 2.038 176.632 174.600 -0.009 0.000 1.026 720 S CA 1.074 59.190 58.200 -0.140 0.000 0.981 720 S CB -0.310 62.925 63.200 0.059 0.000 0.818 720 S HN 0.319 nan 8.310 nan 0.000 0.472 721 K N 1.518 121.908 120.400 -0.017 0.000 2.009 721 K HA -0.027 4.291 4.320 -0.002 0.000 0.210 721 K C 2.434 179.034 176.600 -0.000 0.000 1.049 721 K CA 1.292 57.586 56.287 0.011 0.000 0.929 721 K CB -0.746 31.756 32.500 0.004 0.000 0.714 721 K HN 0.461 nan 8.250 nan 0.000 0.440 722 A N 1.317 124.113 122.820 -0.039 0.000 1.873 722 A HA -0.211 4.107 4.320 -0.002 0.000 0.218 722 A C 2.141 179.691 177.584 -0.057 0.000 1.193 722 A CA 1.728 53.734 52.037 -0.050 0.000 0.629 722 A CB -0.927 18.022 19.000 -0.085 0.000 0.826 722 A HN 0.330 nan 8.150 nan 0.000 0.447 723 L N -0.560 120.585 121.223 -0.129 0.000 2.042 723 L HA -0.199 4.139 4.340 -0.002 0.000 0.210 723 L C 2.564 179.490 176.870 0.093 0.000 1.076 723 L CA 1.419 56.201 54.840 -0.095 0.000 0.749 723 L CB -0.692 41.166 42.059 -0.336 0.000 0.893 723 L HN 0.284 nan 8.230 nan 0.000 0.432 724 V N -0.302 119.697 119.914 0.141 0.000 2.427 724 V HA -0.269 3.850 4.120 -0.002 0.000 0.248 724 V C 1.936 178.077 176.094 0.077 0.000 1.051 724 V CA 1.839 64.223 62.300 0.141 0.000 1.048 724 V CB -0.465 31.433 31.823 0.124 0.000 0.666 724 V HN 0.403 nan 8.190 nan 0.000 0.456 725 D N -0.669 119.761 120.400 0.051 0.000 2.224 725 D HA -0.089 4.550 4.640 -0.002 0.000 0.205 725 D C 1.722 178.043 176.300 0.036 0.000 0.965 725 D CA 1.052 55.074 54.000 0.035 0.000 0.852 725 D CB 0.158 40.972 40.800 0.023 0.000 0.947 725 D HN 0.371 nan 8.370 nan 0.000 0.494 726 V N -1.149 118.789 119.914 0.040 0.000 3.578 726 V HA 0.401 4.519 4.120 -0.002 0.000 0.290 726 V C 1.092 177.223 176.094 0.060 0.000 1.376 726 V CA 1.004 63.331 62.300 0.045 0.000 1.083 726 V CB 0.119 31.968 31.823 0.043 0.000 0.911 726 V HN 0.325 nan 8.190 nan 0.000 0.433 727 G N 0.273 109.116 108.800 0.072 0.000 2.148 727 G HA2 -0.178 3.781 3.960 -0.002 0.000 0.203 727 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.203 727 G C -0.014 174.950 174.900 0.107 0.000 0.993 727 G CA 0.018 45.165 45.100 0.078 0.000 0.661 727 G HN 0.789 nan 8.290 nan 0.000 0.518 728 V N 0.445 120.448 119.914 0.148 0.000 2.607 728 V HA 0.590 4.709 4.120 -0.002 0.000 0.289 728 V C 0.401 176.658 176.094 0.272 0.000 1.053 728 V CA -0.525 61.896 62.300 0.203 0.000 0.996 728 V CB 1.793 33.751 31.823 0.224 0.000 0.995 728 V HN 0.299 nan 8.190 nan 0.000 0.476 729 D N 2.619 123.157 120.400 0.230 0.000 2.210 729 D HA 0.679 5.318 4.640 -0.002 0.000 0.249 729 D C -0.698 175.783 176.300 0.301 0.000 1.062 729 D CA 0.034 54.133 54.000 0.165 0.000 0.891 729 D CB 1.045 41.894 40.800 0.082 0.000 1.186 729 D HN 0.469 nan 8.370 nan 0.000 0.432 730 F N 0.219 120.224 119.950 0.092 0.000 2.842 730 F HA 0.452 4.978 4.527 -0.002 0.000 0.319 730 F C -1.708 174.101 175.800 0.016 0.000 1.159 730 F CA -1.063 56.995 58.000 0.096 0.000 0.902 730 F CB 0.950 40.022 39.000 0.120 0.000 1.311 730 F HN 0.203 nan 8.300 nan 0.000 0.453 731 Q N 1.456 121.378 119.800 0.203 0.000 2.345 731 Q HA 0.889 5.227 4.340 -0.002 0.000 0.268 731 Q C -1.425 174.610 176.000 0.059 0.000 1.054 731 Q CA -0.849 54.962 55.803 0.013 0.000 0.835 731 Q CB 2.371 31.112 28.738 0.004 0.000 1.339 731 Q HN 1.067 nan 8.270 nan 0.000 0.447 732 A N 2.196 125.015 122.820 -0.001 0.000 2.572 732 A HA 0.865 5.184 4.320 -0.002 0.000 0.295 732 A C -1.712 175.848 177.584 -0.041 0.000 1.072 732 A CA -0.594 51.462 52.037 0.031 0.000 0.691 732 A CB 1.724 20.818 19.000 0.157 0.000 1.291 732 A HN 0.670 nan 8.150 nan 0.000 0.404 733 M N 1.943 121.516 119.600 -0.044 0.000 2.265 733 M HA 0.537 5.016 4.480 -0.002 0.000 0.251 733 M C -1.625 174.608 176.300 -0.112 0.000 1.005 733 M CA -0.201 54.965 55.300 -0.224 0.000 0.998 733 M CB 0.915 33.321 32.600 -0.324 0.000 2.070 733 M HN 0.978 nan 8.290 nan 0.000 0.476 734 W N 4.342 125.571 121.300 -0.119 0.000 2.283 734 W HA 0.695 5.354 4.660 -0.002 0.000 0.341 734 W C -1.865 174.508 176.519 -0.243 0.000 1.206 734 W CA -0.548 56.809 57.345 0.021 0.000 1.294 734 W CB 0.208 29.732 29.460 0.106 0.000 1.154 734 W HN 0.614 nan 8.180 nan 0.000 0.613 735 Y N 2.453 122.976 120.300 0.372 0.000 2.594 735 Y HA 0.237 4.785 4.550 -0.002 0.000 0.338 735 Y C 0.572 176.637 175.900 0.274 0.000 1.019 735 Y CA -1.196 57.023 58.100 0.200 0.000 1.306 735 Y CB 1.052 39.587 38.460 0.125 0.000 1.094 735 Y HN 0.641 nan 8.280 nan 0.000 0.534 736 T N -0.460 114.343 114.554 0.414 0.000 2.867 736 T HA 0.159 4.507 4.350 -0.002 0.000 0.297 736 T C 0.450 175.264 174.700 0.189 0.000 0.989 736 T CA 0.349 62.640 62.100 0.319 0.000 1.159 736 T CB 0.454 69.506 68.868 0.306 0.000 0.928 736 T HN 0.745 nan 8.240 nan 0.000 0.538 737 D N -0.199 120.273 120.400 0.119 0.000 2.495 737 D HA -0.131 4.508 4.640 -0.002 0.000 0.175 737 D C 0.072 176.558 176.300 0.310 0.000 1.040 737 D CA 1.577 55.635 54.000 0.096 0.000 1.049 737 D CB -0.965 39.698 40.800 -0.229 0.000 1.105 737 D HN 0.706 nan 8.370 nan 0.000 0.457 738 E N 1.548 121.920 120.200 0.287 0.000 2.413 738 E HA 0.233 4.582 4.350 -0.002 0.000 0.263 738 E C 0.806 177.597 176.600 0.319 0.000 1.015 738 E CA 0.230 56.805 56.400 0.292 0.000 0.916 738 E CB 0.655 30.518 29.700 0.271 0.000 0.947 738 E HN 0.477 nan 8.360 nan 0.000 0.440 739 D N 0.764 121.358 120.400 0.323 0.000 2.406 739 D HA -0.029 4.609 4.640 -0.002 0.000 0.288 739 D C 1.151 177.691 176.300 0.399 0.000 1.186 739 D CA 0.094 54.304 54.000 0.350 0.000 1.098 739 D CB -0.314 40.706 40.800 0.368 0.000 1.160 739 D HN 0.433 nan 8.370 nan 0.000 0.561 740 H N -1.666 117.591 119.070 0.311 0.000 2.428 740 H HA 0.192 4.746 4.556 -0.002 0.000 0.296 740 H C 1.821 177.419 175.328 0.451 0.000 1.062 740 H CA 2.005 58.259 56.048 0.344 0.000 1.350 740 H CB -0.353 29.604 29.762 0.324 0.000 1.403 740 H HN 0.460 nan 8.280 nan 0.000 0.533 741 G N -0.528 108.454 108.800 0.304 0.000 3.088 741 G HA2 0.107 4.066 3.960 -0.002 0.000 0.217 741 G HA3 0.107 4.066 3.960 -0.002 0.000 0.217 741 G C 0.327 175.453 174.900 0.377 0.000 1.159 741 G CA 0.148 45.385 45.100 0.228 0.000 0.760 741 G HN 0.447 nan 8.290 nan 0.000 0.550 742 I N 0.032 120.806 120.570 0.340 0.000 5.026 742 I HA -0.313 3.855 4.170 -0.002 0.000 0.126 742 I C 1.445 177.678 176.117 0.193 0.000 1.267 742 I CA 0.220 61.659 61.300 0.231 0.000 2.647 742 I CB -1.066 37.012 38.000 0.129 0.000 2.149 742 I HN 0.210 nan 8.210 nan 0.000 0.322 743 A N 2.319 125.226 122.820 0.145 0.000 2.465 743 A HA 0.348 4.667 4.320 -0.002 0.000 0.255 743 A C 1.031 178.658 177.584 0.072 0.000 1.274 743 A CA 0.532 52.606 52.037 0.061 0.000 0.920 743 A CB 0.166 19.191 19.000 0.042 0.000 1.033 743 A HN 0.658 nan 8.150 nan 0.000 0.516 744 S N 0.597 116.368 115.700 0.118 0.000 2.499 744 S HA 0.280 4.749 4.470 -0.002 0.000 0.275 744 S C 1.294 175.970 174.600 0.128 0.000 1.257 744 S CA 0.266 58.535 58.200 0.115 0.000 1.050 744 S CB 0.919 64.196 63.200 0.127 0.000 0.937 744 S HN 0.704 nan 8.310 nan 0.000 0.490 745 S N 3.718 119.481 115.700 0.106 0.000 2.393 745 S HA -0.291 4.178 4.470 -0.002 0.000 0.234 745 S C 1.971 176.647 174.600 0.127 0.000 1.064 745 S CA 2.156 60.428 58.200 0.120 0.000 1.088 745 S CB -2.136 61.107 63.200 0.071 0.000 0.939 745 S HN 1.054 nan 8.310 nan 0.000 0.448 746 T N 0.702 115.317 114.554 0.101 0.000 2.867 746 T HA 0.249 4.598 4.350 -0.002 0.000 0.268 746 T C 1.976 176.754 174.700 0.129 0.000 1.057 746 T CA 1.018 63.175 62.100 0.096 0.000 1.136 746 T CB -0.696 68.216 68.868 0.074 0.000 0.874 746 T HN 0.601 nan 8.240 nan 0.000 0.466 747 A N 1.355 124.252 122.820 0.129 0.000 1.898 747 A HA 0.009 4.328 4.320 -0.002 0.000 0.214 747 A C 2.178 179.808 177.584 0.076 0.000 1.183 747 A CA 1.574 53.672 52.037 0.102 0.000 0.622 747 A CB -1.114 17.924 19.000 0.063 0.000 0.824 747 A HN 0.612 nan 8.150 nan 0.000 0.444 748 H N 0.236 119.326 119.070 0.034 0.000 2.265 748 H HA -0.218 4.336 4.556 -0.002 0.000 0.293 748 H C 2.062 177.457 175.328 0.112 0.000 1.089 748 H CA 2.545 58.648 56.048 0.092 0.000 1.244 748 H CB -0.475 29.336 29.762 0.081 0.000 1.355 748 H HN 0.555 nan 8.280 nan 0.000 0.485 749 Q N -1.534 118.250 119.800 -0.026 0.000 2.135 749 Q HA -0.202 4.136 4.340 -0.002 0.000 0.204 749 Q C 2.155 178.141 176.000 -0.023 0.000 0.981 749 Q CA 1.745 57.483 55.803 -0.108 0.000 0.856 749 Q CB -0.163 28.556 28.738 -0.033 0.000 0.902 749 Q HN 0.677 nan 8.270 nan 0.000 0.425 750 H N -0.387 118.669 119.070 -0.022 0.000 2.502 750 H HA 0.039 4.594 4.556 -0.002 0.000 0.283 750 H C 1.636 176.986 175.328 0.037 0.000 1.015 750 H CA 1.029 57.098 56.048 0.035 0.000 1.298 750 H CB 0.272 30.103 29.762 0.115 0.000 1.411 750 H HN 0.273 nan 8.280 nan 0.000 0.556 751 I N -1.154 119.387 120.570 -0.048 0.000 2.512 751 I HA -0.162 4.006 4.170 -0.002 0.000 0.247 751 I C 1.174 177.089 176.117 -0.337 0.000 1.094 751 I CA 0.516 61.711 61.300 -0.175 0.000 1.427 751 I CB -0.133 37.607 38.000 -0.434 0.000 1.149 751 I HN 0.158 nan 8.210 nan 0.000 0.438 752 Y N 1.507 121.625 120.300 -0.303 0.000 2.193 752 Y HA -0.266 4.282 4.550 -0.002 0.000 0.285 752 Y C 2.738 178.449 175.900 -0.315 0.000 1.166 752 Y CA 2.153 59.956 58.100 -0.495 0.000 1.181 752 Y CB -1.147 37.017 38.460 -0.494 0.000 0.976 752 Y HN 0.169 nan 8.280 nan 0.000 0.520 753 T N -1.804 112.687 114.554 -0.106 0.000 2.833 753 T HA -0.212 4.137 4.350 -0.002 0.000 0.269 753 T C 1.493 176.150 174.700 -0.071 0.000 1.054 753 T CA 1.820 63.851 62.100 -0.115 0.000 1.135 753 T CB -0.306 68.493 68.868 -0.115 0.000 0.869 753 T HN 0.416 nan 8.240 nan 0.000 0.466 754 H N 0.029 118.997 119.070 -0.171 0.000 2.384 754 H HA 0.303 4.857 4.556 -0.002 0.000 0.300 754 H C 2.142 177.463 175.328 -0.011 0.000 1.057 754 H CA 1.061 57.062 56.048 -0.078 0.000 1.370 754 H CB -0.154 29.548 29.762 -0.100 0.000 1.417 754 H HN 0.187 nan 8.280 nan 0.000 0.527 755 M N -0.717 118.837 119.600 -0.076 0.000 2.159 755 M HA -0.170 4.309 4.480 -0.002 0.000 0.263 755 M C 2.240 178.650 176.300 0.183 0.000 1.063 755 M CA 1.485 56.744 55.300 -0.069 0.000 1.110 755 M CB 0.157 32.475 32.600 -0.470 0.000 1.374 755 M HN 0.164 nan 8.290 nan 0.000 0.411 756 S N -0.997 114.805 115.700 0.170 0.000 2.368 756 S HA -0.142 4.326 4.470 -0.002 0.000 0.224 756 S C 1.702 176.362 174.600 0.099 0.000 1.029 756 S CA 0.909 59.275 58.200 0.276 0.000 0.988 756 S CB -0.535 62.826 63.200 0.269 0.000 0.838 756 S HN 0.499 nan 8.310 nan 0.000 0.462 757 H N -0.131 118.998 119.070 0.098 0.000 2.387 757 H HA -0.002 4.553 4.556 -0.002 0.000 0.299 757 H C 1.920 177.259 175.328 0.020 0.000 1.090 757 H CA 1.075 57.143 56.048 0.034 0.000 1.332 757 H CB -0.635 29.114 29.762 -0.022 0.000 1.386 757 H HN 0.456 nan 8.280 nan 0.000 0.516 758 F N 1.277 121.209 119.950 -0.031 0.000 2.095 758 F HA -0.211 4.315 4.527 -0.002 0.000 0.298 758 F C 2.259 178.017 175.800 -0.070 0.000 1.104 758 F CA 1.090 59.050 58.000 -0.067 0.000 1.232 758 F CB -0.133 38.810 39.000 -0.094 0.000 0.987 758 F HN -0.039 nan 8.300 nan 0.000 0.475 759 I N 0.455 121.009 120.570 -0.026 0.000 2.202 759 I HA -0.246 3.922 4.170 -0.002 0.000 0.242 759 I C 2.276 178.209 176.117 -0.307 0.000 1.091 759 I CA 1.306 62.435 61.300 -0.285 0.000 1.368 759 I CB -1.307 36.633 38.000 -0.101 0.000 1.058 759 I HN 0.198 nan 8.210 nan 0.000 0.410 760 K N 0.950 121.307 120.400 -0.071 0.000 2.020 760 K HA -0.271 4.047 4.320 -0.002 0.000 0.212 760 K C 2.078 178.657 176.600 -0.035 0.000 1.050 760 K CA 2.203 58.493 56.287 0.005 0.000 0.929 760 K CB -0.382 32.173 32.500 0.092 0.000 0.714 760 K HN 0.465 nan 8.250 nan 0.000 0.443 761 Q N 0.741 120.495 119.800 -0.076 0.000 2.170 761 Q HA -0.161 4.178 4.340 -0.002 0.000 0.203 761 Q C 2.193 178.078 176.000 -0.191 0.000 0.976 761 Q CA 1.849 57.589 55.803 -0.105 0.000 0.858 761 Q CB -0.726 27.957 28.738 -0.093 0.000 0.907 761 Q HN 0.318 nan 8.270 nan 0.000 0.433 762 c N -0.131 118.234 118.600 -0.392 0.000 2.453 762 c HA 0.039 4.607 4.570 -0.002 0.000 0.277 762 c C 0.984 175.024 174.090 -0.083 0.000 1.262 762 c CA 0.110 56.192 56.329 -0.412 0.000 1.718 762 c CB -0.983 41.058 42.510 -0.782 0.000 2.031 762 c HN 0.627 nan 8.230 nan 0.000 0.480 763 F N 2.504 122.407 119.950 -0.078 0.000 2.954 763 F HA 0.274 4.800 4.527 -0.002 0.000 0.300 763 F C 1.486 177.268 175.800 -0.031 0.000 1.206 763 F CA -0.405 57.572 58.000 -0.038 0.000 1.345 763 F CB -1.571 37.417 39.000 -0.020 0.000 1.206 763 F HN 0.157 nan 8.300 nan 0.000 0.537 764 S N 0.419 116.191 115.700 0.120 0.000 3.260 764 S HA -0.231 4.237 4.470 -0.002 0.000 0.398 764 S C 0.659 175.298 174.600 0.065 0.000 0.995 764 S CA 0.194 58.432 58.200 0.064 0.000 1.149 764 S CB -1.278 61.951 63.200 0.048 0.000 0.883 764 S HN 0.308 nan 8.310 nan 0.000 0.469 765 L N 1.444 122.718 121.223 0.086 0.000 2.410 765 L HA 0.171 4.510 4.340 -0.002 0.000 0.273 765 L C -1.014 175.893 176.870 0.061 0.000 1.144 765 L CA -1.328 53.560 54.840 0.079 0.000 0.863 765 L CB -0.106 42.013 42.059 0.101 0.000 1.140 765 L HN 0.090 nan 8.230 nan 0.000 0.463 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.129 63.100 0.048 0.000 0.800 766 P CB 0.000 31.727 31.700 0.045 0.000 0.726