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 1w1i_1_B DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.656 174.600 0.094 0.000 1.055 39 S CA 0.000 58.285 58.200 0.141 0.000 1.107 39 S CB 0.000 63.250 63.200 0.084 0.000 0.593 40 R N 1.970 122.526 120.500 0.093 0.000 2.544 40 R HA 0.589 4.929 4.340 0.000 0.000 0.205 40 R C 0.274 176.625 176.300 0.084 0.000 1.324 40 R CA -0.930 55.218 56.100 0.080 0.000 1.008 40 R CB -0.029 30.317 30.300 0.077 0.000 2.138 40 R HN 0.567 nan 8.270 nan 0.000 0.514 41 K N 0.422 120.877 120.400 0.091 0.000 2.138 41 K HA 0.244 4.564 4.320 0.000 0.000 0.251 41 K C -0.403 176.261 176.600 0.107 0.000 1.015 41 K CA -0.514 55.834 56.287 0.101 0.000 0.917 41 K CB 0.818 33.388 32.500 0.116 0.000 1.021 41 K HN 0.631 nan 8.250 nan 0.000 0.485 42 T N -1.978 112.645 114.554 0.116 0.000 2.937 42 T HA 0.164 4.515 4.350 0.000 0.000 0.283 42 T C -0.711 174.104 174.700 0.193 0.000 1.012 42 T CA -0.787 61.389 62.100 0.127 0.000 0.997 42 T CB 0.488 69.420 68.868 0.106 0.000 1.136 42 T HN 0.518 nan 8.240 nan 0.000 0.551 43 Y N 2.619 122.960 120.300 0.068 0.000 2.531 43 Y HA 0.368 4.918 4.550 0.000 0.000 0.347 43 Y C 0.966 177.009 175.900 0.240 0.000 1.024 43 Y CA -0.260 57.915 58.100 0.125 0.000 1.306 43 Y CB -0.266 38.221 38.460 0.044 0.000 1.149 43 Y HN 0.986 nan 8.280 nan 0.000 0.527 44 T N 2.448 116.986 114.554 -0.026 0.000 2.912 44 T HA 0.172 4.522 4.350 0.000 0.000 0.280 44 T C 0.960 175.602 174.700 -0.096 0.000 0.989 44 T CA -0.840 61.319 62.100 0.098 0.000 0.995 44 T CB 1.287 70.181 68.868 0.043 0.000 1.077 44 T HN 0.636 nan 8.240 nan 0.000 0.531 45 L N 1.095 122.113 121.223 -0.343 0.000 2.079 45 L HA -0.005 4.335 4.340 0.000 0.000 0.210 45 L C 2.596 179.313 176.870 -0.255 0.000 1.081 45 L CA 2.135 56.578 54.840 -0.661 0.000 0.752 45 L CB -1.471 40.076 42.059 -0.853 0.000 0.896 45 L HN 0.959 nan 8.230 nan 0.000 0.433 46 T N -0.670 113.777 114.554 -0.179 0.000 2.867 46 T HA -0.141 4.209 4.350 0.000 0.000 0.268 46 T C 1.459 176.084 174.700 -0.124 0.000 1.057 46 T CA 1.304 63.331 62.100 -0.123 0.000 1.136 46 T CB -0.313 68.508 68.868 -0.079 0.000 0.874 46 T HN 0.403 nan 8.240 nan 0.000 0.466 47 D N 0.155 120.451 120.400 -0.174 0.000 2.123 47 D HA -0.094 4.547 4.640 0.000 0.000 0.196 47 D C 1.716 177.949 176.300 -0.112 0.000 0.992 47 D CA 1.040 54.924 54.000 -0.195 0.000 0.833 47 D CB -0.318 40.249 40.800 -0.388 0.000 0.954 47 D HN 0.401 nan 8.370 nan 0.000 0.455 48 Y N 1.468 121.587 120.300 -0.302 0.000 2.133 48 Y HA -0.089 4.461 4.550 0.000 0.000 0.287 48 Y C 2.221 178.126 175.900 0.007 0.000 1.134 48 Y CA 1.199 59.284 58.100 -0.025 0.000 1.133 48 Y CB -0.662 37.822 38.460 0.039 0.000 0.987 48 Y HN -0.109 nan 8.280 nan 0.000 0.502 49 L N -0.151 120.919 121.223 -0.257 0.000 2.056 49 L HA -0.167 4.173 4.340 0.000 0.000 0.207 49 L C 2.234 179.006 176.870 -0.163 0.000 1.078 49 L CA 1.346 55.996 54.840 -0.316 0.000 0.749 49 L CB -0.484 41.447 42.059 -0.213 0.000 0.901 49 L HN 0.027 nan 8.230 nan 0.000 0.433 50 K N -0.057 120.277 120.400 -0.109 0.000 2.418 50 K HA -0.006 4.314 4.320 0.000 0.000 0.195 50 K C 0.423 176.989 176.600 -0.056 0.000 1.035 50 K CA 0.177 56.420 56.287 -0.072 0.000 1.003 50 K CB -0.432 32.028 32.500 -0.066 0.000 0.793 50 K HN 0.321 nan 8.250 nan 0.000 0.494 51 N N 0.883 119.561 118.700 -0.037 0.000 2.816 51 N HA -0.198 4.542 4.740 0.000 0.000 0.247 51 N C 0.428 175.946 175.510 0.013 0.000 1.100 51 N CA 0.521 53.585 53.050 0.023 0.000 0.687 51 N CB -0.781 37.708 38.487 0.002 0.000 1.003 51 N HN 0.319 nan 8.380 nan 0.000 0.554 52 T N -2.711 111.814 114.554 -0.047 0.000 2.821 52 T HA -0.123 4.227 4.350 0.000 0.000 0.267 52 T C 0.666 175.210 174.700 -0.261 0.000 1.046 52 T CA 1.117 63.088 62.100 -0.215 0.000 1.139 52 T CB -0.226 68.415 68.868 -0.379 0.000 0.871 52 T HN 0.348 nan 8.240 nan 0.000 0.454 53 Y N 1.778 122.180 120.300 0.170 0.000 2.434 53 Y HA 0.583 5.133 4.550 0.000 0.000 0.341 53 Y C 0.574 176.581 175.900 0.179 0.000 0.965 53 Y CA -1.263 56.953 58.100 0.194 0.000 1.205 53 Y CB 0.684 39.315 38.460 0.285 0.000 1.121 53 Y HN -0.013 nan 8.280 nan 0.000 0.507 54 R N 3.472 124.116 120.500 0.239 0.000 2.393 54 R HA 0.522 4.862 4.340 0.000 0.000 0.310 54 R C -1.063 175.340 176.300 0.172 0.000 0.968 54 R CA -0.693 55.512 56.100 0.175 0.000 0.867 54 R CB 0.859 31.221 30.300 0.104 0.000 1.124 54 R HN 0.693 nan 8.270 nan 0.000 0.450 55 L N 4.727 126.054 121.223 0.173 0.000 2.360 55 L HA 0.234 4.574 4.340 0.000 0.000 0.276 55 L C 0.400 177.346 176.870 0.127 0.000 1.121 55 L CA 0.030 54.968 54.840 0.163 0.000 0.845 55 L CB 0.763 42.937 42.059 0.192 0.000 1.143 55 L HN 0.430 nan 8.230 nan 0.000 0.452 56 K N 4.509 124.976 120.400 0.112 0.000 2.185 56 K HA 0.542 4.862 4.320 0.000 0.000 0.271 56 K C -0.507 176.121 176.600 0.047 0.000 1.013 56 K CA -0.432 55.896 56.287 0.070 0.000 0.943 56 K CB 1.283 33.817 32.500 0.057 0.000 0.998 56 K HN 0.429 nan 8.250 nan 0.000 0.468 57 L N 0.974 122.163 121.223 -0.057 0.000 2.260 57 L HA 0.457 4.798 4.340 0.000 0.000 0.265 57 L C -0.649 175.935 176.870 -0.477 0.000 1.015 57 L CA -1.066 53.621 54.840 -0.255 0.000 0.826 57 L CB 0.656 42.695 42.059 -0.033 0.000 1.373 57 L HN 0.546 nan 8.230 nan 0.000 0.450 58 Y N 0.159 119.925 120.300 -0.890 0.000 2.497 58 Y HA 0.292 4.842 4.550 0.000 0.000 0.333 58 Y C -0.496 175.284 175.900 -0.200 0.000 1.046 58 Y CA -0.554 57.249 58.100 -0.495 0.000 1.160 58 Y CB 0.998 39.012 38.460 -0.743 0.000 1.123 58 Y HN 0.446 nan 8.280 nan 0.000 0.638 59 S N 4.673 120.300 115.700 -0.123 0.000 2.429 59 S HA 0.383 4.853 4.470 0.000 0.000 0.292 59 S C -0.493 174.036 174.600 -0.119 0.000 1.183 59 S CA -0.322 57.837 58.200 -0.068 0.000 1.088 59 S CB -0.420 62.751 63.200 -0.047 0.000 1.018 59 S HN 0.539 nan 8.310 nan 0.000 0.511 60 L N 1.198 122.311 121.223 -0.183 0.000 2.342 60 L HA 0.772 5.112 4.340 0.000 0.000 0.271 60 L C -0.228 176.510 176.870 -0.221 0.000 1.008 60 L CA -0.868 53.788 54.840 -0.307 0.000 0.818 60 L CB 1.085 42.628 42.059 -0.860 0.000 1.296 60 L HN 0.242 nan 8.230 nan 0.000 0.427 61 R N 2.109 122.546 120.500 -0.106 0.000 2.337 61 R HA 0.321 4.661 4.340 0.000 0.000 0.319 61 R C -1.528 174.809 176.300 0.062 0.000 0.954 61 R CA -0.526 55.586 56.100 0.020 0.000 0.840 61 R CB 0.745 31.107 30.300 0.103 0.000 1.164 61 R HN 0.859 nan 8.270 nan 0.000 0.472 62 W N 4.517 125.901 121.300 0.141 0.000 2.193 62 W HA 0.019 4.679 4.660 0.000 0.000 0.338 62 W C 1.786 178.386 176.519 0.134 0.000 1.310 62 W CA -0.163 57.284 57.345 0.171 0.000 1.243 62 W CB 0.468 30.019 29.460 0.152 0.000 1.165 62 W HN 0.618 nan 8.180 nan 0.000 0.566 63 I N -0.925 119.881 120.570 0.394 0.000 4.433 63 I HA 0.254 4.424 4.170 0.000 0.000 0.322 63 I C 0.830 177.074 176.117 0.212 0.000 1.284 63 I CA 0.039 61.475 61.300 0.226 0.000 1.269 63 I CB 0.134 38.197 38.000 0.105 0.000 1.219 63 I HN 0.255 nan 8.210 nan 0.000 0.436 64 S N -0.242 115.616 115.700 0.264 0.000 3.132 64 S HA 0.377 4.847 4.470 0.000 0.000 0.322 64 S C 0.166 174.826 174.600 0.100 0.000 1.124 64 S CA -0.068 58.242 58.200 0.183 0.000 0.906 64 S CB 1.177 64.512 63.200 0.225 0.000 1.349 64 S HN 0.088 nan 8.310 nan 0.000 0.686 65 D N -0.743 119.588 120.400 -0.115 0.000 2.355 65 D HA 0.209 4.849 4.640 0.000 0.000 0.218 65 D C 0.828 176.901 176.300 -0.377 0.000 1.004 65 D CA 0.882 54.655 54.000 -0.379 0.000 0.880 65 D CB -0.075 40.365 40.800 -0.600 0.000 0.911 65 D HN 0.653 nan 8.370 nan 0.000 0.528 66 H N -1.951 117.280 119.070 0.267 0.000 3.457 66 H HA 0.436 4.992 4.556 0.000 0.000 0.255 66 H C 0.035 175.467 175.328 0.174 0.000 1.082 66 H CA -0.268 55.911 56.048 0.219 0.000 1.189 66 H CB 0.978 30.841 29.762 0.168 0.000 1.511 66 H HN -0.066 nan 8.280 nan 0.000 0.527 67 E N 0.341 120.749 120.200 0.345 0.000 2.359 67 E HA 0.423 4.773 4.350 0.000 0.000 0.266 67 E C -1.515 175.277 176.600 0.321 0.000 0.920 67 E CA -1.225 55.306 56.400 0.217 0.000 0.788 67 E CB 2.708 32.491 29.700 0.138 0.000 1.279 67 E HN 0.187 nan 8.360 nan 0.000 0.438 68 Y N -1.012 119.330 120.300 0.068 0.000 2.638 68 Y HA 0.635 5.185 4.550 0.000 0.000 0.335 68 Y C -1.957 173.916 175.900 -0.045 0.000 1.155 68 Y CA -1.298 56.745 58.100 -0.096 0.000 1.046 68 Y CB 0.665 38.755 38.460 -0.616 0.000 1.303 68 Y HN 0.345 nan 8.280 nan 0.000 0.460 69 L N 2.302 123.676 121.223 0.251 0.000 2.334 69 L HA 0.643 4.983 4.340 0.000 0.000 0.272 69 L C -1.471 175.576 176.870 0.295 0.000 1.020 69 L CA -1.167 53.781 54.840 0.180 0.000 0.812 69 L CB 2.063 44.129 42.059 0.012 0.000 1.264 69 L HN 0.801 nan 8.230 nan 0.000 0.439 70 Y N 1.352 121.698 120.300 0.075 0.000 2.390 70 Y HA 0.313 4.863 4.550 0.000 0.000 0.324 70 Y C -0.916 174.975 175.900 -0.014 0.000 1.151 70 Y CA -1.107 56.956 58.100 -0.061 0.000 1.053 70 Y CB 1.507 39.836 38.460 -0.217 0.000 1.277 70 Y HN 0.469 nan 8.280 nan 0.000 0.432 71 K N 4.310 124.360 120.400 -0.583 0.000 2.205 71 K HA 0.414 4.735 4.320 0.000 0.000 0.279 71 K C -1.116 175.070 176.600 -0.689 0.000 1.027 71 K CA -0.348 55.677 56.287 -0.436 0.000 0.932 71 K CB 0.883 33.246 32.500 -0.229 0.000 1.032 71 K HN 0.790 nan 8.250 nan 0.000 0.466 72 Q N 3.470 123.092 119.800 -0.297 0.000 2.309 72 Q HA 0.097 4.438 4.340 0.000 0.000 0.254 72 Q C -1.219 174.747 176.000 -0.057 0.000 0.938 72 Q CA -0.336 55.377 55.803 -0.151 0.000 0.789 72 Q CB 1.155 29.938 28.738 0.075 0.000 1.313 72 Q HN 0.723 nan 8.270 nan 0.000 0.438 73 E N 3.344 123.512 120.200 -0.053 0.000 2.216 73 E HA -0.366 3.984 4.350 0.000 0.000 0.219 73 E C -0.483 176.097 176.600 -0.033 0.000 1.317 73 E CA 0.899 57.281 56.400 -0.031 0.000 0.716 73 E CB -1.087 28.608 29.700 -0.007 0.000 1.135 73 E HN 0.835 nan 8.360 nan 0.000 0.359 74 N N -1.939 116.729 118.700 -0.053 0.000 2.967 74 N HA -0.146 4.594 4.740 0.000 0.000 0.241 74 N C -1.165 174.320 175.510 -0.042 0.000 0.983 74 N CA 1.045 54.071 53.050 -0.041 0.000 0.918 74 N CB -1.311 37.164 38.487 -0.019 0.000 1.109 74 N HN 0.398 nan 8.380 nan 0.000 0.567 75 N N 1.228 119.901 118.700 -0.044 0.000 2.444 75 N HA 0.452 5.193 4.740 0.000 0.000 0.262 75 N C 0.191 175.680 175.510 -0.034 0.000 0.974 75 N CA -0.622 52.407 53.050 -0.035 0.000 0.933 75 N CB 1.333 39.811 38.487 -0.016 0.000 1.137 75 N HN 0.349 nan 8.380 nan 0.000 0.498 76 I N 1.134 121.669 120.570 -0.058 0.000 2.533 76 I HA 0.259 4.429 4.170 0.000 0.000 0.284 76 I C -1.121 175.038 176.117 0.069 0.000 1.109 76 I CA 0.003 61.271 61.300 -0.053 0.000 1.412 76 I CB 0.183 38.059 38.000 -0.207 0.000 1.396 76 I HN 0.284 nan 8.210 nan 0.000 0.543 77 L N 7.238 128.541 121.223 0.134 0.000 2.342 77 L HA 0.624 4.964 4.340 0.000 0.000 0.271 77 L C -0.283 176.702 176.870 0.191 0.000 1.008 77 L CA -1.206 53.735 54.840 0.168 0.000 0.818 77 L CB 1.733 43.916 42.059 0.207 0.000 1.296 77 L HN 0.561 nan 8.230 nan 0.000 0.427 78 V N 2.543 122.509 119.914 0.087 0.000 2.407 78 V HA 0.479 4.599 4.120 0.000 0.000 0.278 78 V C -0.761 175.269 176.094 -0.106 0.000 1.037 78 V CA -0.081 62.234 62.300 0.026 0.000 0.900 78 V CB 1.060 32.912 31.823 0.049 0.000 0.983 78 V HN 0.487 nan 8.190 nan 0.000 0.459 79 F N 5.012 124.703 119.950 -0.433 0.000 2.458 79 F HA 0.485 5.013 4.527 0.000 0.000 0.330 79 F C 0.610 176.130 175.800 -0.468 0.000 1.082 79 F CA -0.579 57.092 58.000 -0.548 0.000 0.995 79 F CB 1.594 39.977 39.000 -1.027 0.000 1.170 79 F HN 0.474 nan 8.300 nan 0.000 0.478 80 N N 1.985 120.605 118.700 -0.134 0.000 2.462 80 N HA 0.211 4.952 4.740 0.000 0.000 0.242 80 N C 0.606 176.039 175.510 -0.127 0.000 1.010 80 N CA 0.114 53.115 53.050 -0.080 0.000 0.939 80 N CB 1.540 40.033 38.487 0.010 0.000 1.127 80 N HN 0.817 nan 8.380 nan 0.000 0.509 81 A N 3.674 126.381 122.820 -0.188 0.000 1.940 81 A HA -0.258 4.062 4.320 0.000 0.000 0.221 81 A C 1.933 179.259 177.584 -0.430 0.000 1.190 81 A CA 1.954 53.791 52.037 -0.334 0.000 0.647 81 A CB -0.433 18.136 19.000 -0.720 0.000 0.821 81 A HN 0.746 nan 8.150 nan 0.000 0.457 82 E N -1.011 118.916 120.200 -0.455 0.000 2.006 82 E HA -0.134 4.216 4.350 0.000 0.000 0.192 82 E C 1.660 177.983 176.600 -0.462 0.000 0.993 82 E CA 1.914 58.013 56.400 -0.501 0.000 0.808 82 E CB -0.434 28.798 29.700 -0.780 0.000 0.764 82 E HN 0.740 nan 8.360 nan 0.000 0.449 83 Y N -1.931 118.372 120.300 0.005 0.000 2.509 83 Y HA 0.317 4.867 4.550 0.000 0.000 0.270 83 Y C 1.664 177.561 175.900 -0.005 0.000 1.103 83 Y CA 0.155 58.256 58.100 0.002 0.000 1.278 83 Y CB 0.813 39.272 38.460 -0.003 0.000 1.087 83 Y HN 0.295 nan 8.280 nan 0.000 0.542 84 G N 0.563 109.415 108.800 0.086 0.000 2.213 84 G HA2 -0.312 3.649 3.960 0.000 0.000 0.236 84 G HA3 -0.312 3.649 3.960 0.000 0.000 0.236 84 G C 0.083 175.012 174.900 0.049 0.000 0.991 84 G CA 0.072 45.230 45.100 0.096 0.000 0.629 84 G HN 0.423 nan 8.290 nan 0.000 0.517 85 N N 0.908 119.609 118.700 0.002 0.000 2.371 85 N HA 0.478 5.218 4.740 0.000 0.000 0.243 85 N C -0.055 175.281 175.510 -0.290 0.000 1.287 85 N CA 0.860 53.847 53.050 -0.105 0.000 0.911 85 N CB 1.155 39.610 38.487 -0.054 0.000 1.142 85 N HN 1.155 nan 8.380 nan 0.000 0.451 86 S N -1.475 113.993 115.700 -0.387 0.000 2.603 86 S HA 0.435 4.905 4.470 0.000 0.000 0.274 86 S C -0.955 173.455 174.600 -0.317 0.000 1.168 86 S CA -0.973 56.887 58.200 -0.566 0.000 0.963 86 S CB 0.880 63.274 63.200 -1.344 0.000 1.078 86 S HN 0.529 nan 8.310 nan 0.000 0.477 87 S N 1.590 117.166 115.700 -0.206 0.000 2.632 87 S HA 0.546 5.016 4.470 0.000 0.000 0.271 87 S C 0.080 174.633 174.600 -0.078 0.000 1.260 87 S CA -0.714 57.419 58.200 -0.112 0.000 1.010 87 S CB 1.089 64.255 63.200 -0.056 0.000 0.965 87 S HN 0.729 nan 8.310 nan 0.000 0.534 88 V N 2.995 122.877 119.914 -0.053 0.000 2.508 88 V HA 0.125 4.246 4.120 0.000 0.000 0.281 88 V C 0.439 176.547 176.094 0.024 0.000 1.041 88 V CA 0.193 62.484 62.300 -0.014 0.000 1.016 88 V CB 0.315 32.114 31.823 -0.040 0.000 0.984 88 V HN 0.943 nan 8.190 nan 0.000 0.478 89 F N 5.200 125.108 119.950 -0.071 0.000 2.446 89 F HA 0.475 5.002 4.527 0.000 0.000 0.292 89 F C 0.361 176.114 175.800 -0.079 0.000 1.096 89 F CA 0.497 58.459 58.000 -0.065 0.000 1.438 89 F CB 0.565 39.535 39.000 -0.050 0.000 1.107 89 F HN 0.375 nan 8.300 nan 0.000 0.546 90 L N 0.230 121.480 121.223 0.044 0.000 2.700 90 L HA 0.281 4.621 4.340 0.000 0.000 0.255 90 L C -1.763 175.066 176.870 -0.068 0.000 0.933 90 L CA -0.537 54.267 54.840 -0.060 0.000 0.920 90 L CB 1.675 43.743 42.059 0.015 0.000 1.472 90 L HN -0.044 nan 8.230 nan 0.000 0.426 91 E N 1.696 121.819 120.200 -0.127 0.000 2.207 91 E HA 0.302 4.653 4.350 0.000 0.000 0.270 91 E C -0.090 176.449 176.600 -0.103 0.000 0.927 91 E CA -0.712 55.626 56.400 -0.103 0.000 0.799 91 E CB 1.009 30.643 29.700 -0.110 0.000 1.172 91 E HN 0.667 nan 8.360 nan 0.000 0.404 92 N N 0.950 119.615 118.700 -0.059 0.000 2.417 92 N HA -0.209 4.531 4.740 0.000 0.000 0.187 92 N C 1.063 176.546 175.510 -0.045 0.000 1.027 92 N CA 1.161 54.192 53.050 -0.031 0.000 0.891 92 N CB -0.297 38.179 38.487 -0.019 0.000 0.956 92 N HN 0.192 nan 8.380 nan 0.000 0.442 93 S N 0.003 115.652 115.700 -0.086 0.000 2.345 93 S HA -0.087 4.383 4.470 0.000 0.000 0.219 93 S C 1.764 176.256 174.600 -0.180 0.000 1.031 93 S CA 1.512 59.651 58.200 -0.102 0.000 0.984 93 S CB -0.726 62.413 63.200 -0.102 0.000 0.874 93 S HN 0.510 nan 8.310 nan 0.000 0.451 94 T N 1.501 115.859 114.554 -0.326 0.000 2.684 94 T HA -0.185 4.165 4.350 0.000 0.000 0.267 94 T C 0.574 174.812 174.700 -0.770 0.000 1.032 94 T CA 1.498 63.210 62.100 -0.645 0.000 1.155 94 T CB -0.435 67.835 68.868 -0.997 0.000 0.857 94 T HN 0.379 nan 8.240 nan 0.000 0.457 95 F N 0.870 120.736 119.950 -0.141 0.000 2.928 95 F HA 0.370 4.897 4.527 0.000 0.000 0.337 95 F C 0.968 176.763 175.800 -0.008 0.000 1.259 95 F CA -1.379 56.566 58.000 -0.092 0.000 1.267 95 F CB 0.061 38.948 39.000 -0.188 0.000 0.986 95 F HN -0.077 nan 8.300 nan 0.000 0.507 96 D N 0.734 121.182 120.400 0.080 0.000 2.117 96 D HA -0.137 4.503 4.640 0.000 0.000 0.197 96 D C 0.713 177.063 176.300 0.084 0.000 0.987 96 D CA 1.438 55.475 54.000 0.062 0.000 0.829 96 D CB 0.098 40.904 40.800 0.012 0.000 0.961 96 D HN 0.394 nan 8.370 nan 0.000 0.460 97 E N -0.638 119.619 120.200 0.094 0.000 2.947 97 E HA 0.143 4.494 4.350 0.000 0.000 0.229 97 E C 0.302 176.996 176.600 0.155 0.000 1.158 97 E CA -0.365 56.082 56.400 0.078 0.000 1.441 97 E CB -0.089 29.633 29.700 0.037 0.000 1.414 97 E HN 0.175 nan 8.360 nan 0.000 0.432 98 F N 0.403 120.378 119.950 0.042 0.000 2.293 98 F HA 0.060 4.587 4.527 0.000 0.000 0.297 98 F C 1.764 177.523 175.800 -0.069 0.000 1.089 98 F CA 1.332 59.350 58.000 0.030 0.000 1.377 98 F CB 0.454 39.457 39.000 0.005 0.000 1.051 98 F HN 0.416 nan 8.300 nan 0.000 0.511 99 G N -0.641 108.031 108.800 -0.214 0.000 2.241 99 G HA2 -0.245 3.715 3.960 0.000 0.000 0.244 99 G HA3 -0.245 3.715 3.960 0.000 0.000 0.244 99 G C 0.115 174.642 174.900 -0.621 0.000 0.998 99 G CA 0.236 45.076 45.100 -0.432 0.000 0.621 99 G HN 0.490 nan 8.290 nan 0.000 0.519 100 H N 0.190 119.003 119.070 -0.429 0.000 2.622 100 H HA 0.622 5.178 4.556 0.000 0.000 0.363 100 H C -0.242 175.089 175.328 0.005 0.000 1.151 100 H CA 0.060 55.940 56.048 -0.279 0.000 1.184 100 H CB 1.736 31.108 29.762 -0.651 0.000 1.643 100 H HN 0.170 nan 8.280 nan 0.000 0.531 101 S N 2.332 118.127 115.700 0.159 0.000 2.510 101 S HA 0.188 4.658 4.470 0.000 0.000 0.279 101 S C 0.256 174.948 174.600 0.153 0.000 1.284 101 S CA -0.633 57.645 58.200 0.130 0.000 1.059 101 S CB -0.525 62.732 63.200 0.095 0.000 0.901 101 S HN 0.367 nan 8.310 nan 0.000 0.491 102 I N 6.301 126.929 120.570 0.098 0.000 2.297 102 I HA 0.176 4.346 4.170 0.000 0.000 0.291 102 I C 1.665 177.791 176.117 0.015 0.000 1.033 102 I CA -0.388 60.940 61.300 0.046 0.000 1.253 102 I CB 0.811 38.763 38.000 -0.081 0.000 1.396 102 I HN 0.757 nan 8.210 nan 0.000 0.476 103 N N 4.066 122.770 118.700 0.007 0.000 2.171 103 N HA -0.094 4.646 4.740 0.000 0.000 0.184 103 N C 0.128 175.580 175.510 -0.097 0.000 1.021 103 N CA 1.293 54.298 53.050 -0.075 0.000 0.854 103 N CB 0.481 38.899 38.487 -0.115 0.000 0.994 103 N HN 0.656 nan 8.380 nan 0.000 0.426 104 D N -2.065 118.297 120.400 -0.064 0.000 2.653 104 D HA 0.197 4.837 4.640 0.000 0.000 0.258 104 D C -1.452 174.848 176.300 -0.000 0.000 1.252 104 D CA -0.505 53.443 54.000 -0.087 0.000 0.777 104 D CB 0.879 41.599 40.800 -0.132 0.000 1.339 104 D HN 0.134 nan 8.370 nan 0.000 0.422 105 Y N -0.943 119.372 120.300 0.025 0.000 2.630 105 Y HA 0.823 5.373 4.550 0.000 0.000 0.337 105 Y C -0.726 175.255 175.900 0.135 0.000 1.051 105 Y CA -1.034 57.103 58.100 0.061 0.000 1.121 105 Y CB 1.858 40.343 38.460 0.042 0.000 1.299 105 Y HN 0.177 nan 8.280 nan 0.000 0.498 106 S N 1.520 117.481 115.700 0.436 0.000 2.550 106 S HA 0.466 4.936 4.470 0.000 0.000 0.274 106 S C -1.634 173.282 174.600 0.527 0.000 1.110 106 S CA -0.602 57.848 58.200 0.417 0.000 1.013 106 S CB 0.060 63.473 63.200 0.354 0.000 1.152 106 S HN 0.697 nan 8.310 nan 0.000 0.450 107 I N 4.482 125.250 120.570 0.330 0.000 2.365 107 I HA 0.290 4.460 4.170 0.000 0.000 0.291 107 I C 1.012 176.926 176.117 -0.340 0.000 1.004 107 I CA -0.605 60.757 61.300 0.103 0.000 1.311 107 I CB 1.712 39.758 38.000 0.077 0.000 1.401 107 I HN 0.785 nan 8.210 nan 0.000 0.491 108 S N 6.044 121.215 115.700 -0.882 0.000 2.558 108 S HA 0.044 4.514 4.470 0.000 0.000 0.291 108 S C -1.805 172.477 174.600 -0.530 0.000 1.306 108 S CA -0.835 56.500 58.200 -1.442 0.000 1.056 108 S CB 0.411 62.828 63.200 -1.305 0.000 0.836 108 S HN 0.447 nan 8.310 nan 0.000 0.504 109 P HA -0.130 nan 4.420 nan 0.000 0.217 109 P C 0.712 177.971 177.300 -0.069 0.000 1.148 109 P CA 1.583 64.603 63.100 -0.134 0.000 0.828 109 P CB -0.146 31.501 31.700 -0.089 0.000 0.783 110 D N -1.800 118.562 120.400 -0.064 0.000 2.370 110 D HA 0.109 4.749 4.640 0.000 0.000 0.230 110 D C 1.418 177.735 176.300 0.028 0.000 1.143 110 D CA 0.163 54.173 54.000 0.017 0.000 0.834 110 D CB -1.182 39.665 40.800 0.078 0.000 0.944 110 D HN 0.188 nan 8.370 nan 0.000 0.504 111 G N 0.541 109.344 108.800 0.004 0.000 2.238 111 G HA2 -0.469 3.491 3.960 0.000 0.000 0.270 111 G HA3 -0.469 3.491 3.960 0.000 0.000 0.270 111 G C 1.116 176.044 174.900 0.046 0.000 0.977 111 G CA 0.796 45.947 45.100 0.085 0.000 0.639 111 G HN 0.487 nan 8.290 nan 0.000 0.544 112 Q N -1.349 118.413 119.800 -0.063 0.000 2.230 112 Q HA 0.281 4.621 4.340 0.000 0.000 0.202 112 Q C 0.434 176.095 176.000 -0.564 0.000 0.963 112 Q CA 0.766 56.373 55.803 -0.328 0.000 0.866 112 Q CB 0.163 28.639 28.738 -0.436 0.000 0.931 112 Q HN 0.598 nan 8.270 nan 0.000 0.452 113 F N -0.883 119.022 119.950 -0.076 0.000 2.620 113 F HA 0.506 5.033 4.527 0.000 0.000 0.320 113 F C -0.367 175.495 175.800 0.103 0.000 1.069 113 F CA -1.174 56.840 58.000 0.023 0.000 0.953 113 F CB 1.767 40.806 39.000 0.064 0.000 1.322 113 F HN -0.201 nan 8.300 nan 0.000 0.479 114 I N 3.041 123.913 120.570 0.503 0.000 2.534 114 I HA 0.425 4.595 4.170 0.000 0.000 0.288 114 I C -1.983 174.444 176.117 0.517 0.000 1.077 114 I CA -0.818 60.763 61.300 0.467 0.000 1.051 114 I CB 1.796 40.039 38.000 0.405 0.000 1.234 114 I HN 0.544 nan 8.210 nan 0.000 0.425 115 L N 8.339 129.902 121.223 0.568 0.000 2.289 115 L HA 0.548 4.888 4.340 0.000 0.000 0.285 115 L C -1.421 175.619 176.870 0.282 0.000 1.049 115 L CA -0.114 54.985 54.840 0.432 0.000 0.804 115 L CB 1.163 43.463 42.059 0.402 0.000 1.195 115 L HN 0.509 nan 8.230 nan 0.000 0.428 116 L N 5.017 126.349 121.223 0.182 0.000 2.333 116 L HA 0.533 4.873 4.340 0.000 0.000 0.280 116 L C -0.426 176.486 176.870 0.070 0.000 1.004 116 L CA -0.437 54.417 54.840 0.023 0.000 0.820 116 L CB 1.742 43.619 42.059 -0.303 0.000 1.247 116 L HN 0.618 nan 8.230 nan 0.000 0.416 117 E N 3.978 124.167 120.200 -0.019 0.000 2.145 117 E HA 0.456 4.806 4.350 0.000 0.000 0.270 117 E C -1.735 174.803 176.600 -0.104 0.000 0.906 117 E CA -0.540 55.682 56.400 -0.296 0.000 0.761 117 E CB 1.159 30.762 29.700 -0.161 0.000 1.116 117 E HN 0.456 nan 8.360 nan 0.000 0.408 118 Y N 1.846 121.944 120.300 -0.336 0.000 2.655 118 Y HA 0.467 5.017 4.550 0.000 0.000 0.336 118 Y C -0.227 175.574 175.900 -0.165 0.000 1.154 118 Y CA -1.534 56.469 58.100 -0.162 0.000 1.055 118 Y CB 0.705 39.138 38.460 -0.045 0.000 1.295 118 Y HN 0.504 nan 8.280 nan 0.000 0.465 119 N N -0.550 118.164 118.700 0.022 0.000 2.776 119 N HA -0.290 4.451 4.740 0.000 0.000 0.249 119 N C -0.943 174.539 175.510 -0.045 0.000 1.111 119 N CA 0.901 53.927 53.050 -0.040 0.000 0.711 119 N CB -1.911 36.471 38.487 -0.176 0.000 1.065 119 N HN 0.913 nan 8.380 nan 0.000 0.556 120 Y N 0.519 120.733 120.300 -0.143 0.000 2.802 120 Y HA 0.193 4.744 4.550 0.000 0.000 0.333 120 Y C 0.021 175.865 175.900 -0.094 0.000 1.244 120 Y CA 0.230 58.226 58.100 -0.174 0.000 1.558 120 Y CB 0.562 38.874 38.460 -0.247 0.000 1.233 120 Y HN 0.001 nan 8.280 nan 0.000 0.547 121 V N 8.418 128.029 119.914 -0.505 0.000 2.409 121 V HA 0.181 4.301 4.120 0.000 0.000 0.290 121 V C -0.234 175.519 176.094 -0.568 0.000 1.017 121 V CA -1.345 60.719 62.300 -0.394 0.000 0.841 121 V CB 1.273 32.986 31.823 -0.183 0.000 1.003 121 V HN 0.749 nan 8.190 nan 0.000 0.426 122 K N 4.017 124.087 120.400 -0.551 0.000 2.436 122 K HA 0.205 4.525 4.320 0.000 0.000 0.275 122 K C 0.375 176.819 176.600 -0.259 0.000 0.999 122 K CA 0.247 56.330 56.287 -0.340 0.000 0.980 122 K CB 1.117 33.620 32.500 0.003 0.000 0.919 122 K HN 0.794 nan 8.250 nan 0.000 0.484 123 Q N 2.853 122.469 119.800 -0.306 0.000 2.968 123 Q HA 0.183 4.523 4.340 0.000 0.000 0.245 123 Q C -0.072 175.682 176.000 -0.409 0.000 1.136 123 Q CA -0.401 55.030 55.803 -0.620 0.000 0.410 123 Q CB 0.081 28.258 28.738 -0.935 0.000 5.262 123 Q HN 0.715 nan 8.270 nan 0.000 0.356 124 W N 0.301 121.603 121.300 0.003 0.000 1.896 124 W HA 0.283 4.943 4.660 0.000 0.000 0.557 124 W C 1.743 178.257 176.519 -0.008 0.000 2.048 124 W CA -0.550 56.833 57.345 0.063 0.000 2.331 124 W CB -0.126 29.368 29.460 0.056 0.000 2.223 124 W HN 0.409 nan 8.180 nan 0.000 0.777 125 R N -0.488 120.133 120.500 0.202 0.000 2.091 125 R HA -0.190 4.150 4.340 0.000 0.000 0.238 125 R C 1.658 177.801 176.300 -0.263 0.000 1.136 125 R CA 2.233 58.261 56.100 -0.120 0.000 0.959 125 R CB -0.525 29.557 30.300 -0.365 0.000 0.856 125 R HN 0.521 nan 8.270 nan 0.000 0.437 126 H N -1.170 117.966 119.070 0.109 0.000 2.927 126 H HA 0.209 4.766 4.556 0.000 0.000 0.255 126 H C 0.433 175.783 175.328 0.037 0.000 0.974 126 H CA 0.437 56.554 56.048 0.114 0.000 1.199 126 H CB 0.235 30.042 29.762 0.074 0.000 1.447 126 H HN 0.225 nan 8.280 nan 0.000 0.467 127 S N 1.418 117.047 115.700 -0.118 0.000 2.592 127 S HA 0.368 4.839 4.470 0.000 0.000 0.271 127 S C -0.314 174.067 174.600 -0.365 0.000 1.326 127 S CA -0.475 57.310 58.200 -0.691 0.000 1.024 127 S CB 0.726 62.967 63.200 -1.599 0.000 0.921 127 S HN 0.437 nan 8.310 nan 0.000 0.527 128 Y N -2.179 117.959 120.300 -0.270 0.000 2.779 128 Y HA 0.710 5.260 4.550 0.000 0.000 0.340 128 Y C -0.736 175.114 175.900 -0.082 0.000 1.252 128 Y CA -0.922 57.008 58.100 -0.283 0.000 1.072 128 Y CB 0.537 38.739 38.460 -0.431 0.000 1.343 128 Y HN 0.872 nan 8.280 nan 0.000 0.450 129 T N -0.273 114.360 114.554 0.131 0.000 2.908 129 T HA 1.007 5.357 4.350 0.000 0.000 0.290 129 T C -0.556 174.233 174.700 0.149 0.000 1.034 129 T CA -0.069 62.137 62.100 0.177 0.000 1.010 129 T CB 1.760 70.670 68.868 0.069 0.000 1.068 129 T HN 1.761 nan 8.240 nan 0.000 0.481 130 A N 1.178 124.079 122.820 0.136 0.000 2.588 130 A HA 0.850 5.170 4.320 0.000 0.000 0.290 130 A C -0.570 176.839 177.584 -0.293 0.000 1.136 130 A CA -0.985 50.968 52.037 -0.139 0.000 0.681 130 A CB 1.272 20.118 19.000 -0.257 0.000 1.282 130 A HN 0.908 nan 8.150 nan 0.000 0.421 131 S N -0.912 114.362 115.700 -0.710 0.000 2.621 131 S HA 0.821 5.291 4.470 0.000 0.000 0.302 131 S C -1.531 172.418 174.600 -1.085 0.000 1.093 131 S CA -0.167 57.553 58.200 -0.800 0.000 1.017 131 S CB 0.899 63.474 63.200 -1.040 0.000 1.077 131 S HN 0.472 nan 8.310 nan 0.000 0.517 132 Y N 0.001 120.062 120.300 -0.397 0.000 2.524 132 Y HA 0.536 5.086 4.550 0.000 0.000 0.347 132 Y C -0.457 175.485 175.900 0.070 0.000 1.005 132 Y CA -0.827 57.194 58.100 -0.132 0.000 1.025 132 Y CB 1.925 40.264 38.460 -0.202 0.000 1.275 132 Y HN 0.512 nan 8.280 nan 0.000 0.460 133 D N 2.097 122.684 120.400 0.312 0.000 2.857 133 D HA 0.490 5.130 4.640 0.000 0.000 0.227 133 D C -1.130 175.292 176.300 0.202 0.000 1.192 133 D CA -0.346 53.807 54.000 0.256 0.000 0.857 133 D CB 2.643 43.656 40.800 0.354 0.000 1.645 133 D HN 0.392 nan 8.370 nan 0.000 0.482 134 I N 1.852 122.542 120.570 0.200 0.000 2.336 134 I HA 0.267 4.437 4.170 0.000 0.000 0.292 134 I C -0.732 175.600 176.117 0.359 0.000 0.991 134 I CA -0.914 60.549 61.300 0.272 0.000 1.227 134 I CB 1.177 39.291 38.000 0.191 0.000 1.366 134 I HN 0.223 nan 8.210 nan 0.000 0.466 135 Y N 5.560 126.034 120.300 0.290 0.000 2.328 135 Y HA 0.300 4.850 4.550 0.000 0.000 0.337 135 Y C -0.139 175.935 175.900 0.290 0.000 0.966 135 Y CA -0.729 57.537 58.100 0.277 0.000 1.136 135 Y CB 0.987 39.629 38.460 0.305 0.000 1.170 135 Y HN 0.517 nan 8.280 nan 0.000 0.470 136 D N 5.630 125.923 120.400 -0.178 0.000 2.343 136 D HA 0.063 4.704 4.640 0.000 0.000 0.255 136 D C 0.466 176.456 176.300 -0.517 0.000 1.187 136 D CA 0.432 54.245 54.000 -0.310 0.000 0.875 136 D CB 1.221 41.886 40.800 -0.225 0.000 1.136 136 D HN 0.871 nan 8.370 nan 0.000 0.469 137 L N 3.900 124.893 121.223 -0.382 0.000 2.209 137 L HA -0.057 4.283 4.340 0.000 0.000 0.207 137 L C 2.136 178.848 176.870 -0.263 0.000 1.094 137 L CA 0.203 54.904 54.840 -0.231 0.000 0.790 137 L CB -0.158 41.816 42.059 -0.142 0.000 0.932 137 L HN 0.393 nan 8.230 nan 0.000 0.447 138 N N 0.819 119.329 118.700 -0.317 0.000 2.039 138 N HA -0.181 4.559 4.740 0.000 0.000 0.193 138 N C 1.263 176.648 175.510 -0.208 0.000 1.044 138 N CA 1.381 54.287 53.050 -0.240 0.000 0.847 138 N CB -0.245 38.098 38.487 -0.240 0.000 1.030 138 N HN 0.330 nan 8.380 nan 0.000 0.422 139 K N 1.274 121.533 120.400 -0.235 0.000 2.476 139 K HA 0.162 4.483 4.320 0.000 0.000 0.196 139 K C -0.228 176.241 176.600 -0.219 0.000 1.025 139 K CA -0.182 55.993 56.287 -0.186 0.000 1.138 139 K CB 0.329 32.740 32.500 -0.148 0.000 0.860 139 K HN 0.098 nan 8.250 nan 0.000 0.515 140 R N 1.110 121.437 120.500 -0.289 0.000 3.301 140 R HA -0.222 4.118 4.340 0.000 0.000 0.249 140 R C -0.583 175.513 176.300 -0.339 0.000 0.964 140 R CA 0.955 56.890 56.100 -0.274 0.000 0.653 140 R CB -2.389 27.865 30.300 -0.077 0.000 1.043 140 R HN 0.515 nan 8.270 nan 0.000 0.454 141 Q N -0.571 118.844 119.800 -0.642 0.000 2.456 141 Q HA 0.548 4.888 4.340 0.000 0.000 0.284 141 Q C -0.834 174.991 176.000 -0.293 0.000 1.061 141 Q CA -1.179 54.442 55.803 -0.302 0.000 0.799 141 Q CB 1.694 30.358 28.738 -0.122 0.000 1.445 141 Q HN 0.056 nan 8.270 nan 0.000 0.411 142 L N 1.274 122.564 121.223 0.110 0.000 2.375 142 L HA 0.317 4.658 4.340 0.000 0.000 0.271 142 L C -0.254 176.699 176.870 0.138 0.000 1.107 142 L CA -0.241 54.743 54.840 0.240 0.000 0.806 142 L CB 0.359 42.629 42.059 0.352 0.000 1.146 142 L HN 0.455 nan 8.230 nan 0.000 0.447 143 I N 2.206 122.865 120.570 0.149 0.000 2.363 143 I HA 0.081 4.251 4.170 0.000 0.000 0.292 143 I C 1.129 177.297 176.117 0.085 0.000 1.075 143 I CA 0.217 61.578 61.300 0.103 0.000 1.333 143 I CB 0.671 38.729 38.000 0.097 0.000 1.415 143 I HN 0.788 nan 8.210 nan 0.000 0.502 144 T N 2.834 117.427 114.554 0.064 0.000 3.051 144 T HA 0.044 4.394 4.350 0.000 0.000 0.255 144 T C 0.649 175.364 174.700 0.025 0.000 1.085 144 T CA 0.055 62.188 62.100 0.054 0.000 1.109 144 T CB 0.159 69.056 68.868 0.049 0.000 0.921 144 T HN 0.648 nan 8.240 nan 0.000 0.488 145 E N 1.232 121.440 120.200 0.012 0.000 2.299 145 E HA 0.268 4.618 4.350 0.000 0.000 0.265 145 E C -0.803 175.780 176.600 -0.028 0.000 0.911 145 E CA -0.685 55.710 56.400 -0.010 0.000 0.789 145 E CB 1.048 30.744 29.700 -0.007 0.000 1.246 145 E HN 0.030 nan 8.360 nan 0.000 0.427 146 E N 0.555 120.724 120.200 -0.051 0.000 2.252 146 E HA -0.216 4.134 4.350 0.000 0.000 0.218 146 E C -0.380 176.161 176.600 -0.099 0.000 1.253 146 E CA 0.639 56.993 56.400 -0.077 0.000 0.705 146 E CB -1.180 28.485 29.700 -0.059 0.000 1.172 146 E HN 0.520 nan 8.360 nan 0.000 0.369 147 R N -0.409 120.019 120.500 -0.120 0.000 2.574 147 R HA 0.506 4.846 4.340 0.000 0.000 0.266 147 R C 1.078 177.210 176.300 -0.281 0.000 1.157 147 R CA -0.711 55.301 56.100 -0.146 0.000 1.187 147 R CB 0.592 30.835 30.300 -0.096 0.000 1.179 147 R HN 0.094 nan 8.270 nan 0.000 0.600 148 I N 2.897 123.263 120.570 -0.340 0.000 2.416 148 I HA 0.151 4.321 4.170 0.000 0.000 0.288 148 I C -1.865 173.940 176.117 -0.520 0.000 1.051 148 I CA -1.969 58.964 61.300 -0.612 0.000 1.375 148 I CB 1.011 38.654 38.000 -0.595 0.000 1.407 148 I HN 0.263 nan 8.210 nan 0.000 0.516 149 P HA 0.013 nan 4.420 nan 0.000 0.268 149 P C -0.772 176.334 177.300 -0.322 0.000 1.208 149 P CA -0.191 62.527 63.100 -0.637 0.000 0.777 149 P CB 0.300 31.192 31.700 -1.347 0.000 0.875 150 N N 2.860 121.455 118.700 -0.175 0.000 2.479 150 N HA -0.004 4.736 4.740 0.000 0.000 0.257 150 N C 0.431 176.000 175.510 0.099 0.000 1.232 150 N CA 0.483 53.492 53.050 -0.070 0.000 0.920 150 N CB -0.387 38.074 38.487 -0.044 0.000 1.105 150 N HN 0.421 nan 8.380 nan 0.000 0.444 151 N N -0.771 117.978 118.700 0.081 0.000 2.862 151 N HA -0.142 4.598 4.740 0.000 0.000 0.248 151 N C -0.929 174.750 175.510 0.281 0.000 1.116 151 N CA 0.572 53.719 53.050 0.161 0.000 0.727 151 N CB -1.507 37.089 38.487 0.182 0.000 1.083 151 N HN 0.477 nan 8.380 nan 0.000 0.555 152 T N 0.768 115.475 114.554 0.255 0.000 2.884 152 T HA 0.173 4.523 4.350 0.000 0.000 0.298 152 T C 1.697 176.556 174.700 0.265 0.000 0.998 152 T CA 0.088 62.353 62.100 0.276 0.000 1.124 152 T CB 1.380 70.302 68.868 0.089 0.000 0.931 152 T HN 0.145 nan 8.240 nan 0.000 0.531 153 Q N 1.570 121.520 119.800 0.249 0.000 2.297 153 Q HA 0.172 4.512 4.340 0.000 0.000 0.203 153 Q C 0.130 176.313 176.000 0.305 0.000 0.931 153 Q CA 0.335 56.304 55.803 0.278 0.000 0.885 153 Q CB 0.926 29.799 28.738 0.224 0.000 0.991 153 Q HN 0.684 nan 8.270 nan 0.000 0.498 154 W N 0.371 121.642 121.300 -0.049 0.000 3.372 154 W HA 0.492 5.152 4.660 0.000 0.000 0.315 154 W C -2.156 174.279 176.519 -0.139 0.000 1.223 154 W CA -0.656 56.614 57.345 -0.124 0.000 1.202 154 W CB 1.492 30.809 29.460 -0.238 0.000 1.367 154 W HN -0.344 nan 8.180 nan 0.000 0.531 155 V N 3.507 122.719 119.914 -1.170 0.000 2.789 155 V HA 0.704 4.824 4.120 0.000 0.000 0.311 155 V C -0.318 175.115 176.094 -1.103 0.000 1.073 155 V CA -0.602 61.124 62.300 -0.958 0.000 0.921 155 V CB 1.802 32.970 31.823 -1.091 0.000 1.009 155 V HN 0.499 nan 8.190 nan 0.000 0.426 156 T N 2.429 116.665 114.554 -0.529 0.000 2.982 156 T HA 0.532 4.883 4.350 0.000 0.000 0.321 156 T C -1.521 173.153 174.700 -0.043 0.000 1.229 156 T CA -0.371 61.603 62.100 -0.210 0.000 1.044 156 T CB 0.941 69.926 68.868 0.196 0.000 1.184 156 T HN 0.497 nan 8.240 nan 0.000 0.477 157 W N 2.824 124.157 121.300 0.055 0.000 2.129 157 W HA 0.471 5.131 4.660 0.000 0.000 0.349 157 W C 1.204 177.537 176.519 -0.310 0.000 1.279 157 W CA -0.486 56.831 57.345 -0.048 0.000 1.306 157 W CB 0.548 29.977 29.460 -0.051 0.000 1.140 157 W HN 0.807 nan 8.180 nan 0.000 0.613 158 S N 1.061 116.435 115.700 -0.542 0.000 2.579 158 S HA 0.117 4.587 4.470 0.000 0.000 0.275 158 S C -1.876 172.430 174.600 -0.490 0.000 1.345 158 S CA -0.955 56.414 58.200 -1.385 0.000 1.031 158 S CB 0.916 63.309 63.200 -1.346 0.000 0.892 158 S HN 0.273 nan 8.310 nan 0.000 0.529 159 P HA 0.077 nan 4.420 nan 0.000 0.230 159 P C 0.048 177.298 177.300 -0.085 0.000 1.158 159 P CA 0.506 63.550 63.100 -0.094 0.000 0.769 159 P CB -0.183 31.512 31.700 -0.010 0.000 0.807 160 V N -6.506 113.316 119.914 -0.154 0.000 3.049 160 V HA 0.892 5.012 4.120 0.000 0.000 0.309 160 V C 0.326 176.322 176.094 -0.165 0.000 1.148 160 V CA -0.398 61.834 62.300 -0.113 0.000 0.990 160 V CB 1.135 32.911 31.823 -0.078 0.000 1.039 160 V HN 0.355 nan 8.190 nan 0.000 0.430 161 G N 2.179 110.903 108.800 -0.128 0.000 2.525 161 G HA2 -0.139 3.822 3.960 0.000 0.000 0.248 161 G HA3 -0.139 3.822 3.960 0.000 0.000 0.248 161 G C 0.125 174.939 174.900 -0.142 0.000 1.238 161 G CA 0.630 45.614 45.100 -0.195 0.000 0.926 161 G HN 2.514 nan 8.290 nan 0.000 0.574 162 H N -0.668 118.407 119.070 0.008 0.000 2.885 162 H HA 0.426 4.983 4.556 0.000 0.000 0.237 162 H C 0.448 175.927 175.328 0.251 0.000 1.229 162 H CA -0.145 55.971 56.048 0.113 0.000 0.947 162 H CB -0.110 29.716 29.762 0.107 0.000 2.223 162 H HN 0.494 nan 8.280 nan 0.000 0.628 163 K N 1.652 122.070 120.400 0.030 0.000 2.380 163 K HA 0.335 4.655 4.320 0.000 0.000 0.267 163 K C -0.368 176.312 176.600 0.133 0.000 0.990 163 K CA -0.006 56.298 56.287 0.029 0.000 0.946 163 K CB 1.204 33.585 32.500 -0.198 0.000 0.937 163 K HN 0.201 nan 8.250 nan 0.000 0.491 164 L N 1.529 122.846 121.223 0.156 0.000 2.381 164 L HA 0.596 4.936 4.340 0.000 0.000 0.268 164 L C -0.945 176.079 176.870 0.256 0.000 0.997 164 L CA -0.850 54.033 54.840 0.072 0.000 0.818 164 L CB 2.082 44.046 42.059 -0.158 0.000 1.310 164 L HN 0.709 nan 8.230 nan 0.000 0.416 165 A N 2.920 125.890 122.820 0.250 0.000 2.356 165 A HA 0.795 5.115 4.320 0.000 0.000 0.310 165 A C -1.587 176.001 177.584 0.006 0.000 1.075 165 A CA -0.372 51.717 52.037 0.086 0.000 0.746 165 A CB 1.292 20.284 19.000 -0.012 0.000 1.221 165 A HN 0.656 nan 8.150 nan 0.000 0.443 166 Y N -0.491 119.757 120.300 -0.087 0.000 2.615 166 Y HA 0.793 5.343 4.550 0.000 0.000 0.341 166 Y C -1.199 174.705 175.900 0.006 0.000 1.089 166 Y CA -1.548 56.478 58.100 -0.124 0.000 1.049 166 Y CB 1.251 39.568 38.460 -0.238 0.000 1.296 166 Y HN 0.399 nan 8.280 nan 0.000 0.470 167 V N 1.968 122.015 119.914 0.221 0.000 2.495 167 V HA 0.376 4.496 4.120 0.000 0.000 0.298 167 V C -1.472 174.849 176.094 0.379 0.000 1.031 167 V CA -0.626 61.788 62.300 0.190 0.000 0.871 167 V CB 1.364 33.213 31.823 0.043 0.000 0.988 167 V HN 0.874 nan 8.190 nan 0.000 0.432 168 W N 4.685 126.087 121.300 0.171 0.000 3.097 168 W HA 0.449 5.109 4.660 0.000 0.000 0.335 168 W C 0.286 176.860 176.519 0.092 0.000 1.114 168 W CA -0.839 56.577 57.345 0.119 0.000 1.231 168 W CB 1.259 30.763 29.460 0.075 0.000 1.388 168 W HN 0.788 nan 8.180 nan 0.000 0.485 169 N N 5.635 124.017 118.700 -0.529 0.000 2.702 169 N HA -0.370 4.370 4.740 0.000 0.000 0.255 169 N C 0.031 175.400 175.510 -0.235 0.000 0.983 169 N CA 1.133 53.887 53.050 -0.493 0.000 0.768 169 N CB -1.050 36.965 38.487 -0.787 0.000 0.918 169 N HN 0.757 nan 8.380 nan 0.000 0.540 170 N N -2.356 116.270 118.700 -0.123 0.000 2.850 170 N HA -0.155 4.585 4.740 0.000 0.000 0.249 170 N C -1.366 174.076 175.510 -0.112 0.000 1.060 170 N CA 0.947 53.938 53.050 -0.100 0.000 0.825 170 N CB -0.401 37.987 38.487 -0.165 0.000 1.132 170 N HN 0.483 nan 8.380 nan 0.000 0.564 171 D N 0.539 120.883 120.400 -0.093 0.000 2.527 171 D HA 0.510 5.150 4.640 0.000 0.000 0.233 171 D C 0.085 176.232 176.300 -0.255 0.000 1.063 171 D CA -0.373 53.489 54.000 -0.231 0.000 0.880 171 D CB 1.855 42.461 40.800 -0.322 0.000 1.457 171 D HN 0.009 nan 8.370 nan 0.000 0.475 172 I N 1.462 121.722 120.570 -0.517 0.000 2.385 172 I HA 0.282 4.452 4.170 0.000 0.000 0.294 172 I C -0.779 174.904 176.117 -0.723 0.000 0.988 172 I CA -0.549 60.441 61.300 -0.516 0.000 1.265 172 I CB 0.651 38.273 38.000 -0.630 0.000 1.388 172 I HN 0.150 nan 8.210 nan 0.000 0.480 173 Y N 4.107 124.022 120.300 -0.642 0.000 2.499 173 Y HA 0.632 5.182 4.550 0.000 0.000 0.347 173 Y C -0.302 175.253 175.900 -0.575 0.000 0.987 173 Y CA -0.978 56.709 58.100 -0.687 0.000 1.044 173 Y CB 2.074 39.880 38.460 -1.091 0.000 1.245 173 Y HN 0.125 nan 8.280 nan 0.000 0.461 174 V N 2.837 122.687 119.914 -0.106 0.000 2.604 174 V HA 0.458 4.578 4.120 0.000 0.000 0.305 174 V C -0.687 175.530 176.094 0.204 0.000 1.043 174 V CA -1.391 60.933 62.300 0.040 0.000 0.888 174 V CB 1.897 33.748 31.823 0.045 0.000 0.995 174 V HN 0.611 nan 8.190 nan 0.000 0.429 175 K N 4.112 124.634 120.400 0.203 0.000 2.394 175 K HA 0.489 4.809 4.320 0.000 0.000 0.260 175 K C 0.351 177.071 176.600 0.199 0.000 0.967 175 K CA -0.703 55.709 56.287 0.210 0.000 0.855 175 K CB 1.807 34.388 32.500 0.135 0.000 1.101 175 K HN 0.454 nan 8.250 nan 0.000 0.433 176 I N 1.119 121.830 120.570 0.234 0.000 2.286 176 I HA -0.101 4.069 4.170 0.000 0.000 0.245 176 I C 0.565 176.782 176.117 0.166 0.000 1.104 176 I CA 1.490 62.892 61.300 0.169 0.000 1.397 176 I CB -0.249 37.850 38.000 0.165 0.000 1.072 176 I HN 0.513 nan 8.210 nan 0.000 0.417 177 E N 0.111 120.405 120.200 0.157 0.000 2.238 177 E HA 0.283 4.634 4.350 0.000 0.000 0.267 177 E C -1.871 174.734 176.600 0.008 0.000 0.887 177 E CA -2.115 54.358 56.400 0.121 0.000 0.769 177 E CB 1.559 31.328 29.700 0.116 0.000 1.187 177 E HN -0.133 nan 8.360 nan 0.000 0.416 178 P HA -0.168 nan 4.420 nan 0.000 0.216 178 P C 0.868 178.115 177.300 -0.089 0.000 1.150 178 P CA 1.344 64.324 63.100 -0.201 0.000 0.843 178 P CB 0.280 31.664 31.700 -0.526 0.000 0.787 179 N N -1.333 117.339 118.700 -0.047 0.000 2.353 179 N HA -0.000 4.740 4.740 0.000 0.000 0.185 179 N C 0.303 175.812 175.510 -0.001 0.000 1.098 179 N CA 0.259 53.307 53.050 -0.005 0.000 0.872 179 N CB -0.366 38.138 38.487 0.028 0.000 0.970 179 N HN 0.111 nan 8.380 nan 0.000 0.467 180 L N 1.485 122.713 121.223 0.008 0.000 2.421 180 L HA 0.432 4.772 4.340 0.000 0.000 0.263 180 L C -2.078 174.776 176.870 -0.026 0.000 1.122 180 L CA -1.952 52.893 54.840 0.008 0.000 0.804 180 L CB 0.395 42.484 42.059 0.051 0.000 1.150 180 L HN -0.069 nan 8.230 nan 0.000 0.457 181 P HA 0.113 nan 4.420 nan 0.000 0.268 181 P C -1.093 176.102 177.300 -0.176 0.000 1.204 181 P CA -0.336 62.688 63.100 -0.127 0.000 0.768 181 P CB 0.436 32.036 31.700 -0.167 0.000 0.842 182 S N 2.288 117.934 115.700 -0.089 0.000 2.584 182 S HA 0.358 4.828 4.470 0.000 0.000 0.273 182 S C -0.581 173.976 174.600 -0.070 0.000 1.311 182 S CA -0.500 57.703 58.200 0.005 0.000 1.034 182 S CB 0.028 63.314 63.200 0.143 0.000 0.939 182 S HN 0.261 nan 8.310 nan 0.000 0.513 183 Y N 0.542 120.868 120.300 0.043 0.000 2.308 183 Y HA 0.407 4.957 4.550 0.000 0.000 0.329 183 Y C 1.153 176.995 175.900 -0.096 0.000 1.111 183 Y CA -0.836 57.270 58.100 0.010 0.000 1.179 183 Y CB 0.825 39.287 38.460 0.002 0.000 1.201 183 Y HN 0.503 nan 8.280 nan 0.000 0.483 184 R N 3.714 124.184 120.500 -0.049 0.000 2.265 184 R HA 0.216 4.556 4.340 0.000 0.000 0.314 184 R C 0.184 176.251 176.300 -0.388 0.000 1.053 184 R CA -0.016 55.764 56.100 -0.534 0.000 0.931 184 R CB 0.576 30.381 30.300 -0.824 0.000 1.024 184 R HN 0.786 nan 8.270 nan 0.000 0.457 185 I N 1.454 121.695 120.570 -0.548 0.000 2.556 185 I HA -0.029 4.141 4.170 0.000 0.000 0.251 185 I C 1.283 177.218 176.117 -0.304 0.000 1.105 185 I CA 0.999 62.098 61.300 -0.334 0.000 1.436 185 I CB -0.715 37.058 38.000 -0.379 0.000 1.139 185 I HN 0.512 nan 8.210 nan 0.000 0.438 186 T N -3.488 110.760 114.554 -0.509 0.000 2.912 186 T HA 0.399 4.749 4.350 0.000 0.000 0.288 186 T C -0.570 173.898 174.700 -0.387 0.000 1.030 186 T CA -0.496 61.408 62.100 -0.326 0.000 1.020 186 T CB 2.015 70.650 68.868 -0.388 0.000 1.056 186 T HN 0.201 nan 8.240 nan 0.000 0.480 187 W N 0.332 121.522 121.300 -0.183 0.000 2.714 187 W HA 0.229 4.889 4.660 0.000 0.000 0.353 187 W C 1.926 178.389 176.519 -0.094 0.000 0.999 187 W CA -0.132 57.139 57.345 -0.123 0.000 1.629 187 W CB 0.228 29.636 29.460 -0.086 0.000 1.106 187 W HN 0.923 nan 8.180 nan 0.000 0.545 188 T N -2.828 111.767 114.554 0.068 0.000 3.065 188 T HA 0.246 4.596 4.350 0.000 0.000 0.252 188 T C 1.350 176.045 174.700 -0.009 0.000 1.099 188 T CA 0.261 62.384 62.100 0.039 0.000 1.063 188 T CB -0.243 68.643 68.868 0.030 0.000 0.948 188 T HN 0.005 nan 8.240 nan 0.000 0.506 189 G N 1.543 110.308 108.800 -0.058 0.000 2.224 189 G HA2 0.309 4.269 3.960 0.000 0.000 0.239 189 G HA3 0.309 4.269 3.960 0.000 0.000 0.239 189 G C -0.541 174.295 174.900 -0.105 0.000 1.240 189 G CA -0.313 44.729 45.100 -0.097 0.000 0.896 189 G HN 0.605 nan 8.290 nan 0.000 0.496 190 K N 2.095 122.411 120.400 -0.141 0.000 2.588 190 K HA 0.227 4.548 4.320 0.000 0.000 0.250 190 K C -0.157 176.321 176.600 -0.203 0.000 0.972 190 K CA -0.735 55.470 56.287 -0.136 0.000 0.821 190 K CB 1.433 33.887 32.500 -0.077 0.000 1.249 190 K HN 0.619 nan 8.250 nan 0.000 0.442 191 E N 4.017 124.108 120.200 -0.182 0.000 2.694 191 E HA -0.152 4.199 4.350 0.000 0.000 0.250 191 E C -0.651 175.854 176.600 -0.158 0.000 0.963 191 E CA 1.004 57.294 56.400 -0.182 0.000 0.949 191 E CB 0.152 29.778 29.700 -0.122 0.000 0.911 191 E HN 0.649 nan 8.360 nan 0.000 0.500 192 D N 2.784 123.055 120.400 -0.214 0.000 3.079 192 D HA -0.210 4.430 4.640 0.000 0.000 0.214 192 D C 0.348 176.644 176.300 -0.008 0.000 1.145 192 D CA 1.354 55.332 54.000 -0.037 0.000 0.958 192 D CB -0.599 40.240 40.800 0.064 0.000 1.117 192 D HN 0.467 nan 8.370 nan 0.000 0.416 193 I N -1.350 119.130 120.570 -0.150 0.000 3.620 193 I HA 0.103 4.274 4.170 0.000 0.000 0.255 193 I C 0.700 176.829 176.117 0.019 0.000 1.124 193 I CA 0.308 61.608 61.300 -0.000 0.000 1.526 193 I CB -0.014 37.984 38.000 -0.003 0.000 1.681 193 I HN -0.153 nan 8.210 nan 0.000 0.420 194 I N 1.968 122.478 120.570 -0.099 0.000 2.362 194 I HA 0.275 4.445 4.170 0.000 0.000 0.289 194 I C -1.163 174.893 176.117 -0.102 0.000 0.994 194 I CA -0.653 60.651 61.300 0.008 0.000 1.158 194 I CB 0.681 38.692 38.000 0.019 0.000 1.315 194 I HN 0.065 nan 8.210 nan 0.000 0.451 195 Y N 4.880 125.269 120.300 0.148 0.000 2.328 195 Y HA 0.392 4.942 4.550 0.000 0.000 0.333 195 Y C 0.415 176.375 175.900 0.100 0.000 0.958 195 Y CA -0.686 57.502 58.100 0.147 0.000 1.167 195 Y CB 1.070 39.697 38.460 0.278 0.000 1.151 195 Y HN 0.414 nan 8.280 nan 0.000 0.470 196 N N 2.333 121.090 118.700 0.094 0.000 2.444 196 N HA 0.343 5.083 4.740 0.000 0.000 0.262 196 N C 0.817 176.251 175.510 -0.128 0.000 0.974 196 N CA 0.456 53.478 53.050 -0.045 0.000 0.933 196 N CB 1.837 40.195 38.487 -0.215 0.000 1.137 196 N HN 0.996 nan 8.380 nan 0.000 0.498 197 G N 1.583 110.317 108.800 -0.110 0.000 2.179 197 G HA2 -0.246 3.714 3.960 0.000 0.000 0.260 197 G HA3 -0.246 3.714 3.960 0.000 0.000 0.260 197 G C 0.116 174.864 174.900 -0.254 0.000 0.977 197 G CA 0.620 45.590 45.100 -0.217 0.000 0.641 197 G HN 0.653 nan 8.290 nan 0.000 0.533 198 I N -1.770 118.720 120.570 -0.134 0.000 2.969 198 I HA 0.807 4.978 4.170 0.000 0.000 0.307 198 I C 0.290 176.401 176.117 -0.009 0.000 1.149 198 I CA -0.678 60.441 61.300 -0.303 0.000 1.008 198 I CB 1.959 39.618 38.000 -0.568 0.000 1.232 198 I HN 0.150 nan 8.210 nan 0.000 0.435 199 T N -0.496 113.981 114.554 -0.127 0.000 2.918 199 T HA 0.346 4.696 4.350 0.000 0.000 0.283 199 T C -0.097 174.356 174.700 -0.412 0.000 1.001 199 T CA -0.642 61.258 62.100 -0.334 0.000 1.041 199 T CB 1.391 70.178 68.868 -0.135 0.000 1.028 199 T HN 0.767 nan 8.240 nan 0.000 0.511 200 D N 0.201 120.096 120.400 -0.842 0.000 2.425 200 D HA 0.005 4.645 4.640 0.000 0.000 0.274 200 D C 1.037 177.265 176.300 -0.120 0.000 1.242 200 D CA -0.911 52.652 54.000 -0.729 0.000 1.060 200 D CB -0.065 40.286 40.800 -0.747 0.000 1.112 200 D HN 0.679 nan 8.370 nan 0.000 0.561 201 W N -0.314 120.933 121.300 -0.089 0.000 2.354 201 W HA -0.161 4.500 4.660 0.000 0.000 0.315 201 W C 2.180 178.602 176.519 -0.161 0.000 1.206 201 W CA 2.260 59.553 57.345 -0.086 0.000 1.290 201 W CB -0.528 28.824 29.460 -0.180 0.000 1.152 201 W HN 0.158 nan 8.180 nan 0.000 0.489 202 V N -0.120 119.823 119.914 0.047 0.000 2.719 202 V HA -0.238 3.883 4.120 0.000 0.000 0.252 202 V C 1.802 177.675 176.094 -0.369 0.000 1.065 202 V CA 1.782 63.980 62.300 -0.170 0.000 1.086 202 V CB -0.705 31.067 31.823 -0.085 0.000 0.700 202 V HN 0.295 nan 8.190 nan 0.000 0.467 203 Y N 0.816 120.903 120.300 -0.354 0.000 2.263 203 Y HA -0.154 4.396 4.550 0.000 0.000 0.292 203 Y C 2.574 178.316 175.900 -0.264 0.000 1.130 203 Y CA 2.126 60.003 58.100 -0.372 0.000 1.179 203 Y CB -0.056 38.077 38.460 -0.545 0.000 0.998 203 Y HN 0.406 nan 8.280 nan 0.000 0.532 204 E N 0.395 120.531 120.200 -0.107 0.000 2.051 204 E HA -0.293 4.057 4.350 0.000 0.000 0.192 204 E C 1.991 178.514 176.600 -0.127 0.000 0.991 204 E CA 1.633 58.003 56.400 -0.049 0.000 0.799 204 E CB -0.007 29.690 29.700 -0.004 0.000 0.748 204 E HN 0.421 nan 8.360 nan 0.000 0.449 205 E N 0.060 119.999 120.200 -0.435 0.000 2.086 205 E HA -0.119 4.231 4.350 0.000 0.000 0.190 205 E C 1.588 178.022 176.600 -0.276 0.000 0.975 205 E CA 1.300 57.428 56.400 -0.452 0.000 0.813 205 E CB 0.217 29.259 29.700 -1.096 0.000 0.768 205 E HN 0.202 nan 8.360 nan 0.000 0.457 206 E N -0.583 119.415 120.200 -0.336 0.000 2.447 206 E HA 0.068 4.418 4.350 0.000 0.000 0.204 206 E C 1.647 178.063 176.600 -0.307 0.000 0.977 206 E CA 0.740 56.991 56.400 -0.249 0.000 0.950 206 E CB 1.195 30.747 29.700 -0.247 0.000 0.975 206 E HN 0.290 nan 8.360 nan 0.000 0.496 207 V N -1.547 118.126 119.914 -0.401 0.000 2.950 207 V HA 0.113 4.233 4.120 0.000 0.000 0.231 207 V C 1.252 177.106 176.094 -0.401 0.000 1.205 207 V CA 0.380 62.377 62.300 -0.505 0.000 1.239 207 V CB -0.301 31.041 31.823 -0.800 0.000 1.050 207 V HN -0.034 nan 8.190 nan 0.000 0.498 208 F N 1.768 121.712 119.950 -0.009 0.000 2.743 208 F HA 0.436 4.963 4.527 0.000 0.000 0.297 208 F C 1.749 177.490 175.800 -0.099 0.000 1.131 208 F CA 0.539 58.544 58.000 0.008 0.000 1.426 208 F CB -0.605 38.441 39.000 0.075 0.000 1.116 208 F HN 0.249 nan 8.300 nan 0.000 0.583 209 S N 0.134 115.821 115.700 -0.021 0.000 3.477 209 S HA -0.066 4.404 4.470 0.000 0.000 0.357 209 S C 0.196 174.352 174.600 -0.739 0.000 1.083 209 S CA 0.490 58.551 58.200 -0.231 0.000 1.042 209 S CB -1.625 61.521 63.200 -0.091 0.000 0.911 209 S HN 0.627 nan 8.310 nan 0.000 0.490 210 A N -0.791 121.791 122.820 -0.396 0.000 2.594 210 A HA 0.726 5.046 4.320 0.000 0.000 0.295 210 A C -0.181 177.330 177.584 -0.123 0.000 1.071 210 A CA -0.504 51.317 52.037 -0.359 0.000 0.685 210 A CB 0.467 19.312 19.000 -0.258 0.000 1.285 210 A HN 0.217 nan 8.150 nan 0.000 0.405 211 Y N 1.577 121.674 120.300 -0.339 0.000 2.269 211 Y HA 0.144 4.694 4.550 0.000 0.000 0.294 211 Y C 1.672 177.267 175.900 -0.508 0.000 1.120 211 Y CA 1.171 59.087 58.100 -0.308 0.000 1.159 211 Y CB -0.160 38.137 38.460 -0.271 0.000 1.024 211 Y HN 0.666 nan 8.280 nan 0.000 0.532 212 S N 0.681 115.819 115.700 -0.938 0.000 2.546 212 S HA 0.332 4.802 4.470 0.000 0.000 0.290 212 S C 0.289 174.340 174.600 -0.914 0.000 1.290 212 S CA 0.276 57.684 58.200 -1.320 0.000 1.069 212 S CB 0.151 62.285 63.200 -1.777 0.000 0.846 212 S HN 0.455 nan 8.310 nan 0.000 0.495 213 A N 4.783 127.085 122.820 -0.862 0.000 2.959 213 A HA 0.525 4.845 4.320 0.000 0.000 0.280 213 A C -0.882 175.951 177.584 -1.251 0.000 0.953 213 A CA -0.650 50.805 52.037 -0.970 0.000 1.047 213 A CB -0.312 18.546 19.000 -0.236 0.000 1.147 213 A HN 0.825 nan 8.150 nan 0.000 0.489 214 L N -4.411 115.963 121.223 -1.415 0.000 2.409 214 L HA 0.866 5.206 4.340 0.000 0.000 0.262 214 L C -1.239 175.099 176.870 -0.886 0.000 0.992 214 L CA -1.413 52.863 54.840 -0.939 0.000 0.817 214 L CB 0.941 42.737 42.059 -0.439 0.000 1.350 214 L HN 0.245 nan 8.230 nan 0.000 0.411 215 W N 1.409 122.698 121.300 -0.017 0.000 2.756 215 W HA 0.350 5.010 4.660 0.000 0.000 0.333 215 W C -1.457 175.232 176.519 0.283 0.000 1.025 215 W CA -0.726 56.735 57.345 0.193 0.000 1.246 215 W CB 1.542 31.178 29.460 0.294 0.000 1.358 215 W HN 0.607 nan 8.180 nan 0.000 0.444 216 W N 2.316 123.810 121.300 0.323 0.000 2.170 216 W HA 0.230 4.890 4.660 0.000 0.000 0.336 216 W C 1.286 177.555 176.519 -0.417 0.000 1.283 216 W CA 0.288 57.667 57.345 0.057 0.000 1.224 216 W CB 0.798 30.274 29.460 0.028 0.000 1.132 216 W HN 0.193 nan 8.180 nan 0.000 0.571 217 S N 2.514 117.836 115.700 -0.629 0.000 2.593 217 S HA 0.184 4.654 4.470 0.000 0.000 0.269 217 S C -1.727 172.612 174.600 -0.435 0.000 1.334 217 S CA -1.020 56.313 58.200 -1.445 0.000 1.015 217 S CB 1.184 63.597 63.200 -1.312 0.000 0.912 217 S HN 0.278 nan 8.310 nan 0.000 0.541 218 P HA -0.195 nan 4.420 nan 0.000 0.217 218 P C 0.939 178.211 177.300 -0.048 0.000 1.158 218 P CA 1.837 64.906 63.100 -0.051 0.000 0.887 218 P CB -0.220 31.495 31.700 0.026 0.000 0.792 219 N N -2.119 116.543 118.700 -0.062 0.000 2.270 219 N HA 0.123 4.864 4.740 0.000 0.000 0.198 219 N C 1.066 176.514 175.510 -0.104 0.000 1.117 219 N CA 0.630 53.641 53.050 -0.065 0.000 0.845 219 N CB -0.648 37.816 38.487 -0.038 0.000 0.980 219 N HN 0.212 nan 8.380 nan 0.000 0.486 220 G N -1.180 107.568 108.800 -0.088 0.000 2.157 220 G HA2 -0.316 3.644 3.960 0.000 0.000 0.248 220 G HA3 -0.316 3.644 3.960 0.000 0.000 0.248 220 G C 0.930 175.866 174.900 0.060 0.000 0.979 220 G CA 0.607 45.671 45.100 -0.060 0.000 0.650 220 G HN 0.358 nan 8.290 nan 0.000 0.529 221 T N 0.026 114.539 114.554 -0.067 0.000 2.674 221 T HA 0.177 4.527 4.350 0.000 0.000 0.265 221 T C 0.814 175.336 174.700 -0.297 0.000 1.039 221 T CA 1.380 63.321 62.100 -0.265 0.000 1.150 221 T CB -0.103 68.480 68.868 -0.475 0.000 0.864 221 T HN 0.297 nan 8.240 nan 0.000 0.427 222 F N 0.244 120.213 119.950 0.032 0.000 2.458 222 F HA 0.551 5.079 4.527 0.000 0.000 0.330 222 F C -0.044 175.782 175.800 0.043 0.000 1.082 222 F CA -1.245 56.795 58.000 0.068 0.000 0.995 222 F CB 1.119 40.203 39.000 0.140 0.000 1.170 222 F HN -0.081 nan 8.300 nan 0.000 0.478 223 L N 3.156 124.475 121.223 0.161 0.000 2.318 223 L HA 0.656 4.996 4.340 0.000 0.000 0.277 223 L C -0.525 176.411 176.870 0.109 0.000 1.008 223 L CA -0.518 54.242 54.840 -0.133 0.000 0.846 223 L CB 0.727 42.486 42.059 -0.500 0.000 1.220 223 L HN 0.804 nan 8.230 nan 0.000 0.423 224 A N 5.018 127.986 122.820 0.246 0.000 2.302 224 A HA 0.661 4.981 4.320 0.000 0.000 0.285 224 A C -1.174 176.458 177.584 0.080 0.000 1.105 224 A CA -0.211 51.866 52.037 0.066 0.000 0.816 224 A CB 0.710 19.800 19.000 0.150 0.000 1.067 224 A HN 0.726 nan 8.150 nan 0.000 0.489 225 Y N -1.997 118.095 120.300 -0.346 0.000 2.609 225 Y HA 0.737 5.287 4.550 0.000 0.000 0.336 225 Y C -0.295 175.403 175.900 -0.336 0.000 1.129 225 Y CA -0.894 57.065 58.100 -0.235 0.000 1.040 225 Y CB 0.853 39.162 38.460 -0.251 0.000 1.310 225 Y HN 0.895 nan 8.280 nan 0.000 0.460 226 A N 2.129 124.997 122.820 0.080 0.000 2.306 226 A HA 0.672 4.992 4.320 0.000 0.000 0.330 226 A C -1.087 176.397 177.584 -0.166 0.000 1.146 226 A CA -0.815 51.146 52.037 -0.128 0.000 0.827 226 A CB 1.666 20.594 19.000 -0.119 0.000 1.178 226 A HN 0.806 nan 8.150 nan 0.000 0.490 227 Q N 0.735 120.347 119.800 -0.313 0.000 2.337 227 Q HA 0.607 4.947 4.340 0.000 0.000 0.270 227 Q C -2.156 173.591 176.000 -0.422 0.000 1.043 227 Q CA -0.380 55.335 55.803 -0.147 0.000 0.794 227 Q CB 1.242 30.131 28.738 0.251 0.000 1.281 227 Q HN 0.594 nan 8.270 nan 0.000 0.446 228 F N 2.386 122.446 119.950 0.184 0.000 2.467 228 F HA 0.387 4.914 4.527 0.000 0.000 0.336 228 F C 0.307 176.264 175.800 0.261 0.000 1.123 228 F CA -0.920 57.172 58.000 0.154 0.000 0.964 228 F CB 1.486 40.504 39.000 0.029 0.000 1.136 228 F HN 0.408 nan 8.300 nan 0.000 0.447 229 N N 2.265 121.180 118.700 0.358 0.000 2.469 229 N HA 0.193 4.933 4.740 0.000 0.000 0.253 229 N C -0.704 174.980 175.510 0.291 0.000 0.970 229 N CA -0.170 53.050 53.050 0.284 0.000 0.940 229 N CB 1.091 39.693 38.487 0.191 0.000 1.128 229 N HN 0.607 nan 8.380 nan 0.000 0.503 230 D N 1.304 121.894 120.400 0.316 0.000 2.424 230 D HA 0.129 4.769 4.640 0.000 0.000 0.220 230 D C 1.243 177.659 176.300 0.194 0.000 1.150 230 D CA 0.109 54.279 54.000 0.284 0.000 0.831 230 D CB 0.621 41.661 40.800 0.401 0.000 0.981 230 D HN 0.452 nan 8.370 nan 0.000 0.500 231 T N 0.327 114.974 114.554 0.155 0.000 2.620 231 T HA -0.224 4.126 4.350 0.000 0.000 0.267 231 T C 1.333 176.091 174.700 0.096 0.000 1.044 231 T CA 1.426 63.592 62.100 0.109 0.000 1.161 231 T CB -0.075 68.846 68.868 0.089 0.000 0.862 231 T HN 0.220 nan 8.240 nan 0.000 0.438 232 E N 0.257 120.514 120.200 0.095 0.000 2.444 232 E HA 0.174 4.524 4.350 0.000 0.000 0.191 232 E C -0.524 176.128 176.600 0.086 0.000 1.041 232 E CA -0.271 56.176 56.400 0.078 0.000 0.883 232 E CB 0.529 30.268 29.700 0.065 0.000 1.024 232 E HN 0.184 nan 8.360 nan 0.000 0.470 233 V N 4.151 124.131 119.914 0.110 0.000 2.470 233 V HA 0.087 4.208 4.120 0.000 0.000 0.276 233 V C -1.782 174.373 176.094 0.103 0.000 1.040 233 V CA -1.442 60.927 62.300 0.114 0.000 1.008 233 V CB 0.134 32.044 31.823 0.146 0.000 0.990 233 V HN 0.122 nan 8.190 nan 0.000 0.477 234 P HA 0.216 nan 4.420 nan 0.000 0.270 234 P C -0.746 176.599 177.300 0.074 0.000 1.223 234 P CA -0.243 62.900 63.100 0.071 0.000 0.785 234 P CB 0.807 32.546 31.700 0.065 0.000 0.923 235 L N 1.511 122.755 121.223 0.036 0.000 2.322 235 L HA 0.423 4.763 4.340 0.000 0.000 0.279 235 L C 0.680 177.514 176.870 -0.060 0.000 1.036 235 L CA -1.152 53.691 54.840 0.006 0.000 0.807 235 L CB 0.999 43.051 42.059 -0.011 0.000 1.226 235 L HN 0.279 nan 8.230 nan 0.000 0.433 236 I N 2.691 123.177 120.570 -0.140 0.000 2.395 236 I HA 0.220 4.390 4.170 0.000 0.000 0.289 236 I C -0.208 175.760 176.117 -0.248 0.000 1.023 236 I CA 0.105 61.222 61.300 -0.305 0.000 1.350 236 I CB 0.782 38.352 38.000 -0.717 0.000 1.409 236 I HN 0.636 nan 8.210 nan 0.000 0.507 237 E N 7.423 127.499 120.200 -0.207 0.000 2.266 237 E HA 0.573 4.923 4.350 0.000 0.000 0.268 237 E C -1.749 174.782 176.600 -0.115 0.000 0.879 237 E CA -0.738 55.536 56.400 -0.210 0.000 0.762 237 E CB 1.927 31.528 29.700 -0.165 0.000 1.199 237 E HN 0.564 nan 8.360 nan 0.000 0.422 238 Y N -1.661 118.545 120.300 -0.157 0.000 2.581 238 Y HA 0.540 5.090 4.550 0.000 0.000 0.337 238 Y C -0.887 174.932 175.900 -0.135 0.000 1.108 238 Y CA -1.315 56.697 58.100 -0.148 0.000 1.033 238 Y CB 1.040 39.413 38.460 -0.145 0.000 1.318 238 Y HN 0.341 nan 8.280 nan 0.000 0.459 239 S N 2.312 117.999 115.700 -0.021 0.000 2.565 239 S HA 0.434 4.904 4.470 0.000 0.000 0.276 239 S C -1.253 173.180 174.600 -0.279 0.000 1.326 239 S CA -0.290 57.755 58.200 -0.260 0.000 1.045 239 S CB 0.203 63.123 63.200 -0.467 0.000 0.918 239 S HN 0.533 nan 8.310 nan 0.000 0.505 240 F N 2.133 121.814 119.950 -0.448 0.000 2.507 240 F HA 0.453 4.980 4.527 0.000 0.000 0.325 240 F C -0.252 175.299 175.800 -0.415 0.000 1.116 240 F CA -0.820 56.981 58.000 -0.332 0.000 0.930 240 F CB 1.016 39.970 39.000 -0.076 0.000 1.146 240 F HN 0.662 nan 8.300 nan 0.000 0.447 241 Y N 2.419 122.515 120.300 -0.340 0.000 2.509 241 Y HA 0.204 4.754 4.550 0.000 0.000 0.270 241 Y C 1.530 177.388 175.900 -0.070 0.000 1.103 241 Y CA 0.749 58.757 58.100 -0.155 0.000 1.278 241 Y CB -0.284 38.067 38.460 -0.182 0.000 1.087 241 Y HN 0.734 nan 8.280 nan 0.000 0.542 242 S N -0.039 115.660 115.700 -0.002 0.000 3.513 242 S HA -0.216 4.255 4.470 0.000 0.000 0.636 242 S C -0.651 174.015 174.600 0.111 0.000 2.452 242 S CA 0.236 58.544 58.200 0.181 0.000 2.644 242 S CB -1.034 62.329 63.200 0.273 0.000 0.331 242 S HN 0.463 nan 8.310 nan 0.000 1.787 243 D N 2.037 122.507 120.400 0.117 0.000 2.449 243 D HA 0.131 4.771 4.640 0.000 0.000 0.236 243 D C 1.474 177.811 176.300 0.062 0.000 1.149 243 D CA 0.690 54.737 54.000 0.078 0.000 0.878 243 D CB 0.313 41.157 40.800 0.073 0.000 1.198 243 D HN 0.694 nan 8.370 nan 0.000 0.446 244 E N 0.035 120.258 120.200 0.038 0.000 2.401 244 E HA -0.186 4.164 4.350 0.000 0.000 0.199 244 E C 1.074 177.690 176.600 0.026 0.000 1.023 244 E CA 0.899 57.312 56.400 0.022 0.000 0.859 244 E CB -0.060 29.642 29.700 0.003 0.000 0.780 244 E HN 0.325 nan 8.360 nan 0.000 0.523 245 S N 0.949 116.671 115.700 0.037 0.000 2.423 245 S HA -0.076 4.394 4.470 0.000 0.000 0.231 245 S C 1.227 175.856 174.600 0.049 0.000 1.014 245 S CA 0.177 58.399 58.200 0.038 0.000 0.965 245 S CB -0.300 62.924 63.200 0.040 0.000 0.785 245 S HN 0.353 nan 8.310 nan 0.000 0.495 246 L N 2.953 124.216 121.223 0.066 0.000 2.385 246 L HA 0.160 4.500 4.340 0.000 0.000 0.281 246 L C 1.444 178.363 176.870 0.082 0.000 1.106 246 L CA 0.180 55.072 54.840 0.087 0.000 0.856 246 L CB 0.941 43.067 42.059 0.111 0.000 1.186 246 L HN 0.445 nan 8.230 nan 0.000 0.453 247 Q N 4.685 124.541 119.800 0.094 0.000 2.049 247 Q HA -0.097 4.243 4.340 0.000 0.000 0.198 247 Q C -0.581 175.402 176.000 -0.028 0.000 0.971 247 Q CA 1.291 57.117 55.803 0.039 0.000 0.833 247 Q CB 0.151 28.940 28.738 0.085 0.000 0.896 247 Q HN 0.634 nan 8.270 nan 0.000 0.434 248 Y N 0.866 121.185 120.300 0.032 0.000 2.341 248 Y HA 0.393 4.943 4.550 0.000 0.000 0.337 248 Y C -2.043 173.880 175.900 0.038 0.000 1.014 248 Y CA -3.004 55.114 58.100 0.030 0.000 1.111 248 Y CB 1.197 39.665 38.460 0.013 0.000 1.194 248 Y HN 0.166 nan 8.280 nan 0.000 0.462 249 P HA 0.009 nan 4.420 nan 0.000 0.266 249 P C -0.607 176.723 177.300 0.050 0.000 1.195 249 P CA -0.343 62.809 63.100 0.087 0.000 0.768 249 P CB 0.656 32.379 31.700 0.038 0.000 0.838 250 K N 1.583 121.998 120.400 0.025 0.000 2.174 250 K HA 0.261 4.581 4.320 0.000 0.000 0.275 250 K C -0.551 176.013 176.600 -0.061 0.000 1.015 250 K CA -0.222 56.069 56.287 0.007 0.000 0.933 250 K CB 0.418 32.945 32.500 0.045 0.000 1.025 250 K HN 0.345 nan 8.250 nan 0.000 0.463 251 T N 3.339 117.841 114.554 -0.087 0.000 2.738 251 T HA 0.176 4.526 4.350 0.000 0.000 0.298 251 T C -0.367 174.209 174.700 -0.206 0.000 0.962 251 T CA -0.587 61.423 62.100 -0.149 0.000 0.972 251 T CB 0.829 69.624 68.868 -0.121 0.000 0.928 251 T HN 0.271 nan 8.240 nan 0.000 0.474 252 V N 6.343 126.044 119.914 -0.355 0.000 2.614 252 V HA 0.396 4.516 4.120 0.000 0.000 0.291 252 V C 0.621 176.438 176.094 -0.461 0.000 1.049 252 V CA -0.360 61.670 62.300 -0.450 0.000 1.038 252 V CB 0.315 31.678 31.823 -0.767 0.000 0.980 252 V HN 0.774 nan 8.190 nan 0.000 0.481 253 R N 3.604 123.955 120.500 -0.248 0.000 2.628 253 R HA 0.837 5.177 4.340 0.000 0.000 0.288 253 R C -2.151 174.116 176.300 -0.055 0.000 0.980 253 R CA -0.680 55.314 56.100 -0.177 0.000 0.891 253 R CB 1.929 32.157 30.300 -0.120 0.000 1.188 253 R HN 0.356 nan 8.270 nan 0.000 0.450 254 V N 3.113 123.001 119.914 -0.043 0.000 2.668 254 V HA 0.349 4.469 4.120 0.000 0.000 0.304 254 V C -2.460 173.682 176.094 0.080 0.000 1.071 254 V CA -2.166 60.174 62.300 0.067 0.000 0.894 254 V CB 2.545 34.371 31.823 0.007 0.000 1.008 254 V HN 0.709 nan 8.190 nan 0.000 0.425 255 P HA 0.175 nan 4.420 nan 0.000 0.265 255 P C -1.413 176.005 177.300 0.197 0.000 1.222 255 P CA 0.357 63.569 63.100 0.186 0.000 0.767 255 P CB -0.150 31.705 31.700 0.258 0.000 0.801 256 Y N 6.160 126.452 120.300 -0.013 0.000 2.287 256 Y HA 0.358 4.908 4.550 0.000 0.000 0.321 256 Y C -2.845 173.040 175.900 -0.026 0.000 1.173 256 Y CA -2.711 55.333 58.100 -0.092 0.000 1.124 256 Y CB 1.790 40.071 38.460 -0.298 0.000 1.201 256 Y HN 0.273 nan 8.280 nan 0.000 0.421 257 P HA 0.286 nan 4.420 nan 0.000 0.288 257 P C -0.835 176.502 177.300 0.062 0.000 1.363 257 P CA -0.221 62.911 63.100 0.053 0.000 0.837 257 P CB 1.105 32.817 31.700 0.021 0.000 0.981 258 K N 1.963 122.505 120.400 0.236 0.000 2.132 258 K HA 0.445 4.765 4.320 0.000 0.000 0.240 258 K C 0.661 177.357 176.600 0.161 0.000 1.036 258 K CA -0.607 55.833 56.287 0.254 0.000 0.888 258 K CB 0.373 33.043 32.500 0.282 0.000 1.071 258 K HN 0.428 nan 8.250 nan 0.000 0.502 259 A N 0.729 123.666 122.820 0.194 0.000 2.545 259 A HA 0.304 4.625 4.320 0.000 0.000 0.253 259 A C 1.177 178.802 177.584 0.068 0.000 1.074 259 A CA 0.857 52.996 52.037 0.171 0.000 0.760 259 A CB -1.153 18.035 19.000 0.313 0.000 1.005 259 A HN 0.886 nan 8.150 nan 0.000 0.506 260 G N 0.910 109.738 108.800 0.048 0.000 2.179 260 G HA2 0.095 4.055 3.960 0.000 0.000 0.260 260 G HA3 0.095 4.055 3.960 0.000 0.000 0.260 260 G C 0.690 175.601 174.900 0.017 0.000 0.977 260 G CA 0.781 45.882 45.100 0.000 0.000 0.641 260 G HN 2.088 nan 8.290 nan 0.000 0.533 261 A N -0.601 122.247 122.820 0.046 0.000 2.275 261 A HA 0.768 5.088 4.320 0.000 0.000 0.282 261 A C 0.766 178.381 177.584 0.051 0.000 1.275 261 A CA 0.353 52.421 52.037 0.053 0.000 0.842 261 A CB 0.525 19.572 19.000 0.079 0.000 1.280 261 A HN 1.121 nan 8.150 nan 0.000 0.508 262 V N 2.227 122.174 119.914 0.056 0.000 2.455 262 V HA 0.101 4.221 4.120 0.000 0.000 0.273 262 V C 0.148 176.286 176.094 0.073 0.000 1.045 262 V CA -0.463 61.870 62.300 0.056 0.000 0.976 262 V CB 0.095 31.952 31.823 0.057 0.000 0.993 262 V HN 0.748 nan 8.190 nan 0.000 0.475 263 N N 6.474 125.215 118.700 0.069 0.000 2.445 263 N HA 0.390 5.130 4.740 0.000 0.000 0.264 263 N C -2.207 173.382 175.510 0.131 0.000 1.227 263 N CA -1.371 51.738 53.050 0.099 0.000 0.963 263 N CB 0.611 39.147 38.487 0.082 0.000 1.188 263 N HN 0.394 nan 8.380 nan 0.000 0.491 264 P HA 0.069 nan 4.420 nan 0.000 0.271 264 P C -0.498 176.942 177.300 0.235 0.000 1.244 264 P CA -0.047 63.207 63.100 0.257 0.000 0.793 264 P CB 0.254 32.169 31.700 0.358 0.000 0.984 265 T N -2.783 111.904 114.554 0.222 0.000 2.924 265 T HA 0.596 4.946 4.350 0.000 0.000 0.291 265 T C -0.511 174.301 174.700 0.187 0.000 1.045 265 T CA -0.879 61.304 62.100 0.139 0.000 1.015 265 T CB 1.550 70.468 68.868 0.084 0.000 1.103 265 T HN 0.335 nan 8.240 nan 0.000 0.496 266 V N 0.745 120.732 119.914 0.123 0.000 2.823 266 V HA 0.807 4.927 4.120 0.000 0.000 0.312 266 V C -1.404 174.735 176.094 0.075 0.000 1.072 266 V CA -0.808 61.527 62.300 0.059 0.000 0.937 266 V CB 1.989 33.885 31.823 0.120 0.000 1.013 266 V HN 1.050 nan 8.190 nan 0.000 0.430 267 K N 4.134 124.519 120.400 -0.025 0.000 2.482 267 K HA 0.573 4.894 4.320 0.000 0.000 0.257 267 K C -1.985 174.511 176.600 -0.174 0.000 0.969 267 K CA -0.471 55.776 56.287 -0.068 0.000 0.842 267 K CB 2.776 35.212 32.500 -0.106 0.000 1.359 267 K HN 0.576 nan 8.250 nan 0.000 0.441 268 F N 2.183 121.816 119.950 -0.529 0.000 2.529 268 F HA 0.561 5.088 4.527 0.000 0.000 0.320 268 F C -1.486 173.790 175.800 -0.873 0.000 1.118 268 F CA -0.554 57.132 58.000 -0.523 0.000 0.915 268 F CB 0.866 39.702 39.000 -0.274 0.000 1.161 268 F HN 0.374 nan 8.300 nan 0.000 0.445 269 F N 4.082 123.427 119.950 -1.008 0.000 2.603 269 F HA 0.761 5.288 4.527 0.000 0.000 0.317 269 F C -0.977 174.290 175.800 -0.889 0.000 1.066 269 F CA -1.212 56.289 58.000 -0.830 0.000 0.941 269 F CB 2.054 40.433 39.000 -1.035 0.000 1.291 269 F HN 0.086 nan 8.300 nan 0.000 0.472 270 V N 2.445 122.224 119.914 -0.225 0.000 2.656 270 V HA 0.685 4.805 4.120 0.000 0.000 0.307 270 V C -1.106 175.106 176.094 0.196 0.000 1.051 270 V CA -0.867 61.380 62.300 -0.088 0.000 0.893 270 V CB 2.027 33.663 31.823 -0.312 0.000 0.999 270 V HN 0.630 nan 8.190 nan 0.000 0.426 271 V N 3.913 123.992 119.914 0.275 0.000 2.769 271 V HA 0.564 4.685 4.120 0.000 0.000 0.312 271 V C -0.374 175.927 176.094 0.346 0.000 1.061 271 V CA -0.639 61.837 62.300 0.293 0.000 0.931 271 V CB 2.095 34.033 31.823 0.193 0.000 1.010 271 V HN 0.997 nan 8.190 nan 0.000 0.433 272 N N 2.915 121.770 118.700 0.258 0.000 2.437 272 N HA 0.216 4.956 4.740 0.000 0.000 0.243 272 N C 1.181 176.664 175.510 -0.046 0.000 1.041 272 N CA 0.327 53.404 53.050 0.045 0.000 0.940 272 N CB 1.211 39.703 38.487 0.008 0.000 1.133 272 N HN 0.919 nan 8.380 nan 0.000 0.506 273 T N -0.037 114.477 114.554 -0.066 0.000 3.072 273 T HA -0.056 4.294 4.350 0.000 0.000 0.266 273 T C 0.817 175.441 174.700 -0.127 0.000 1.127 273 T CA 0.772 62.831 62.100 -0.069 0.000 1.107 273 T CB 0.081 68.991 68.868 0.070 0.000 0.910 273 T HN 0.381 nan 8.240 nan 0.000 0.513 274 D N 2.231 122.544 120.400 -0.144 0.000 2.234 274 D HA 0.011 4.651 4.640 0.000 0.000 0.205 274 D C 1.319 177.553 176.300 -0.109 0.000 0.962 274 D CA 1.000 54.922 54.000 -0.131 0.000 0.855 274 D CB -0.066 40.644 40.800 -0.149 0.000 0.951 274 D HN 0.635 nan 8.370 nan 0.000 0.500 275 S N 0.425 116.066 115.700 -0.098 0.000 2.560 275 S HA 0.347 4.817 4.470 0.000 0.000 0.227 275 S C 0.307 174.860 174.600 -0.078 0.000 1.280 275 S CA -0.595 57.570 58.200 -0.059 0.000 1.260 275 S CB -0.296 62.897 63.200 -0.012 0.000 1.002 275 S HN 0.012 nan 8.310 nan 0.000 0.509 276 L N 1.083 122.197 121.223 -0.183 0.000 2.357 276 L HA 0.456 4.797 4.340 0.000 0.000 0.273 276 L C 1.380 178.178 176.870 -0.119 0.000 1.080 276 L CA -0.450 54.218 54.840 -0.286 0.000 0.803 276 L CB 1.669 43.239 42.059 -0.814 0.000 1.174 276 L HN 0.471 nan 8.230 nan 0.000 0.443 277 S N 0.426 116.179 115.700 0.089 0.000 2.527 277 S HA -0.051 4.419 4.470 0.000 0.000 0.225 277 S C 1.245 176.036 174.600 0.318 0.000 1.046 277 S CA 0.787 59.098 58.200 0.184 0.000 0.929 277 S CB 0.112 63.389 63.200 0.128 0.000 0.851 277 S HN 0.988 nan 8.310 nan 0.000 0.565 278 S N -1.068 114.851 115.700 0.365 0.000 2.857 278 S HA -0.147 4.323 4.470 0.000 0.000 0.268 278 S C 0.741 175.413 174.600 0.119 0.000 1.297 278 S CA 1.181 59.493 58.200 0.186 0.000 1.280 278 S CB -2.073 61.179 63.200 0.086 0.000 1.562 278 S HN 0.663 nan 8.310 nan 0.000 0.661 279 V N 0.631 120.618 119.914 0.121 0.000 3.539 279 V HA 0.346 4.467 4.120 0.000 0.000 0.262 279 V C 0.846 176.985 176.094 0.075 0.000 1.381 279 V CA 1.016 63.365 62.300 0.081 0.000 1.060 279 V CB 0.890 32.752 31.823 0.065 0.000 0.842 279 V HN 0.684 nan 8.190 nan 0.000 0.445 280 T N 1.009 115.620 114.554 0.095 0.000 2.863 280 T HA 0.402 4.753 4.350 0.000 0.000 0.285 280 T C -0.351 174.417 174.700 0.114 0.000 1.009 280 T CA -0.545 61.602 62.100 0.078 0.000 0.989 280 T CB 1.484 70.390 68.868 0.064 0.000 1.004 280 T HN 0.045 nan 8.240 nan 0.000 0.455 281 N N 2.056 120.809 118.700 0.088 0.000 2.357 281 N HA 0.258 4.998 4.740 0.000 0.000 0.257 281 N C 0.105 175.687 175.510 0.120 0.000 1.250 281 N CA 0.042 53.172 53.050 0.134 0.000 0.862 281 N CB 0.388 38.885 38.487 0.017 0.000 1.066 281 N HN 0.860 nan 8.380 nan 0.000 0.468 282 A N 2.202 125.108 122.820 0.144 0.000 2.388 282 A HA 0.320 4.640 4.320 0.000 0.000 0.257 282 A C 0.397 178.034 177.584 0.088 0.000 1.095 282 A CA -0.200 51.894 52.037 0.095 0.000 0.791 282 A CB 0.272 19.311 19.000 0.066 0.000 1.029 282 A HN 0.533 nan 8.150 nan 0.000 0.489 283 T N 2.252 116.861 114.554 0.092 0.000 2.771 283 T HA 0.407 4.757 4.350 0.000 0.000 0.291 283 T C 0.121 174.907 174.700 0.144 0.000 0.954 283 T CA 0.234 62.400 62.100 0.111 0.000 1.045 283 T CB 0.515 69.456 68.868 0.122 0.000 0.917 283 T HN 0.517 nan 8.240 nan 0.000 0.484 284 S N 4.025 119.808 115.700 0.138 0.000 2.498 284 S HA 0.392 4.862 4.470 0.000 0.000 0.324 284 S C 0.055 174.815 174.600 0.267 0.000 1.071 284 S CA -0.773 57.533 58.200 0.178 0.000 1.113 284 S CB 0.210 63.442 63.200 0.053 0.000 0.976 284 S HN 0.457 nan 8.310 nan 0.000 0.462 285 I N 3.496 124.246 120.570 0.301 0.000 2.471 285 I HA 0.167 4.337 4.170 0.000 0.000 0.286 285 I C 0.824 177.108 176.117 0.277 0.000 1.079 285 I CA -0.005 61.484 61.300 0.315 0.000 1.398 285 I CB 0.208 38.471 38.000 0.439 0.000 1.403 285 I HN 0.669 nan 8.210 nan 0.000 0.530 286 Q N 5.974 125.912 119.800 0.230 0.000 2.306 286 Q HA 0.493 4.833 4.340 0.000 0.000 0.241 286 Q C -1.045 174.922 176.000 -0.054 0.000 0.948 286 Q CA -0.432 55.323 55.803 -0.080 0.000 0.886 286 Q CB 1.181 29.810 28.738 -0.182 0.000 1.227 286 Q HN 0.548 nan 8.270 nan 0.000 0.457 287 I N 3.196 123.696 120.570 -0.117 0.000 2.420 287 I HA 0.177 4.347 4.170 0.000 0.000 0.282 287 I C 0.318 176.399 176.117 -0.061 0.000 1.019 287 I CA -0.732 60.552 61.300 -0.027 0.000 1.130 287 I CB 1.617 39.620 38.000 0.004 0.000 1.262 287 I HN 0.723 nan 8.210 nan 0.000 0.454 288 T N 3.149 117.643 114.554 -0.101 0.000 2.802 288 T HA 0.510 4.860 4.350 0.000 0.000 0.305 288 T C 0.550 175.057 174.700 -0.322 0.000 1.053 288 T CA -0.588 61.406 62.100 -0.177 0.000 1.058 288 T CB 1.229 70.000 68.868 -0.161 0.000 0.988 288 T HN 0.581 nan 8.240 nan 0.000 0.539 289 A N 2.680 125.132 122.820 -0.614 0.000 2.327 289 A HA 0.578 4.898 4.320 0.000 0.000 0.255 289 A C -2.170 174.923 177.584 -0.817 0.000 1.099 289 A CA -1.656 49.593 52.037 -1.314 0.000 0.801 289 A CB -0.957 17.049 19.000 -1.656 0.000 1.062 289 A HN 0.770 nan 8.150 nan 0.000 0.496 290 P HA 0.112 nan 4.420 nan 0.000 0.265 290 P C 0.732 177.789 177.300 -0.405 0.000 1.187 290 P CA 0.883 63.705 63.100 -0.463 0.000 0.766 290 P CB 0.603 32.082 31.700 -0.367 0.000 0.820 291 A N 3.497 126.158 122.820 -0.264 0.000 1.892 291 A HA -0.231 4.089 4.320 0.000 0.000 0.218 291 A C 2.130 179.593 177.584 -0.202 0.000 1.188 291 A CA 2.477 54.386 52.037 -0.212 0.000 0.631 291 A CB -1.815 17.098 19.000 -0.145 0.000 0.822 291 A HN 0.619 nan 8.150 nan 0.000 0.447 292 S N -1.414 114.192 115.700 -0.157 0.000 2.528 292 S HA -0.105 4.365 4.470 0.000 0.000 0.244 292 S C 1.604 176.124 174.600 -0.134 0.000 0.982 292 S CA 1.581 59.717 58.200 -0.106 0.000 0.953 292 S CB -0.330 62.870 63.200 0.000 0.000 0.754 292 S HN 0.410 nan 8.310 nan 0.000 0.529 293 M N 0.401 119.835 119.600 -0.277 0.000 2.545 293 M HA 0.372 4.852 4.480 0.000 0.000 0.264 293 M C 1.699 177.655 176.300 -0.574 0.000 1.155 293 M CA 0.608 55.650 55.300 -0.431 0.000 1.162 293 M CB -0.845 31.349 32.600 -0.676 0.000 1.330 293 M HN 0.344 nan 8.290 nan 0.000 0.479 294 L N 0.899 121.840 121.223 -0.469 0.000 2.610 294 L HA -0.047 4.293 4.340 0.000 0.000 0.232 294 L C 1.762 178.538 176.870 -0.156 0.000 1.149 294 L CA 0.221 54.864 54.840 -0.327 0.000 0.872 294 L CB -0.611 41.297 42.059 -0.252 0.000 0.992 294 L HN 0.264 nan 8.230 nan 0.000 0.447 295 I N -2.777 117.706 120.570 -0.145 0.000 3.680 295 I HA 0.408 4.578 4.170 0.000 0.000 0.306 295 I C 0.777 176.864 176.117 -0.050 0.000 1.260 295 I CA -0.011 61.237 61.300 -0.087 0.000 1.201 295 I CB -0.389 37.556 38.000 -0.092 0.000 1.009 295 I HN -0.011 nan 8.210 nan 0.000 0.467 296 G N -0.658 108.130 108.800 -0.019 0.000 2.342 296 G HA2 0.186 4.146 3.960 0.000 0.000 0.297 296 G HA3 0.186 4.146 3.960 0.000 0.000 0.297 296 G C -1.908 173.053 174.900 0.102 0.000 1.313 296 G CA -0.858 44.252 45.100 0.017 0.000 0.830 296 G HN 0.001 nan 8.290 nan 0.000 0.506 297 D N 1.228 121.656 120.400 0.048 0.000 2.423 297 D HA 0.440 5.081 4.640 0.000 0.000 0.238 297 D C 0.510 176.807 176.300 -0.005 0.000 1.142 297 D CA 0.784 54.777 54.000 -0.012 0.000 0.884 297 D CB 0.494 41.226 40.800 -0.114 0.000 1.199 297 D HN 0.583 nan 8.370 nan 0.000 0.438 298 H N -1.049 117.873 119.070 -0.247 0.000 2.933 298 H HA 0.472 5.028 4.556 0.000 0.000 0.310 298 H C -1.325 173.805 175.328 -0.330 0.000 1.351 298 H CA -0.820 55.077 56.048 -0.253 0.000 1.137 298 H CB 0.335 30.095 29.762 -0.003 0.000 1.853 298 H HN 0.330 nan 8.280 nan 0.000 0.539 299 Y N -0.118 120.371 120.300 0.315 0.000 2.545 299 Y HA 0.415 4.965 4.550 0.000 0.000 0.348 299 Y C -0.386 175.742 175.900 0.380 0.000 1.002 299 Y CA -1.166 57.111 58.100 0.295 0.000 1.039 299 Y CB 2.048 40.544 38.460 0.059 0.000 1.271 299 Y HN 0.489 nan 8.280 nan 0.000 0.467 300 L N 3.001 124.499 121.223 0.458 0.000 2.276 300 L HA 0.476 4.816 4.340 0.000 0.000 0.286 300 L C 0.341 177.215 176.870 0.007 0.000 1.061 300 L CA -0.171 54.584 54.840 -0.141 0.000 0.807 300 L CB 0.569 42.457 42.059 -0.285 0.000 1.177 300 L HN 0.996 nan 8.230 nan 0.000 0.429 301 C N 0.862 120.056 119.300 -0.177 0.000 3.642 301 C HA 0.618 5.079 4.460 0.000 0.000 0.305 301 C C -0.017 174.909 174.990 -0.107 0.000 1.492 301 C CA -0.088 58.813 59.018 -0.195 0.000 1.809 301 C CB -1.262 26.389 27.740 -0.148 0.000 2.639 301 C HN 0.898 nan 8.230 nan 0.000 0.672 302 D N 0.237 120.547 120.400 -0.149 0.000 2.886 302 D HA 0.467 5.108 4.640 0.000 0.000 0.216 302 D C -1.264 174.788 176.300 -0.414 0.000 1.256 302 D CA -0.183 53.741 54.000 -0.128 0.000 0.844 302 D CB 2.318 43.027 40.800 -0.151 0.000 1.669 302 D HN 0.429 nan 8.370 nan 0.000 0.513 303 V N 1.903 121.492 119.914 -0.541 0.000 2.588 303 V HA 0.886 5.006 4.120 0.000 0.000 0.304 303 V C -1.387 174.332 176.094 -0.625 0.000 1.042 303 V CA 0.035 61.818 62.300 -0.863 0.000 0.877 303 V CB 1.870 32.835 31.823 -1.430 0.000 0.996 303 V HN 0.645 nan 8.190 nan 0.000 0.425 304 T N 6.412 120.665 114.554 -0.501 0.000 3.031 304 T HA 0.400 4.750 4.350 0.000 0.000 0.305 304 T C -0.995 173.545 174.700 -0.267 0.000 0.985 304 T CA -0.164 61.793 62.100 -0.237 0.000 1.008 304 T CB 0.820 69.621 68.868 -0.111 0.000 1.005 304 T HN 0.791 nan 8.240 nan 0.000 0.444 305 W N 2.091 123.325 121.300 -0.111 0.000 2.181 305 W HA 0.457 5.117 4.660 0.000 0.000 0.335 305 W C 1.107 177.498 176.519 -0.214 0.000 1.310 305 W CA -0.147 57.124 57.345 -0.124 0.000 1.226 305 W CB 0.550 30.018 29.460 0.013 0.000 1.155 305 W HN 0.832 nan 8.180 nan 0.000 0.565 306 A N 1.585 124.322 122.820 -0.139 0.000 1.988 306 A HA 0.214 4.535 4.320 0.000 0.000 0.201 306 A C 0.853 178.375 177.584 -0.102 0.000 1.410 306 A CA 1.298 53.016 52.037 -0.533 0.000 0.832 306 A CB -0.317 17.860 19.000 -1.371 0.000 0.981 306 A HN 0.516 nan 8.150 nan 0.000 0.492 307 T N -5.193 109.405 114.554 0.074 0.000 2.645 307 T HA 0.352 4.702 4.350 0.000 0.000 0.273 307 T C 0.340 175.189 174.700 0.248 0.000 0.960 307 T CA -0.311 61.881 62.100 0.153 0.000 1.051 307 T CB 0.682 69.630 68.868 0.133 0.000 1.366 307 T HN -0.054 nan 8.240 nan 0.000 0.536 308 Q N 0.388 120.309 119.800 0.201 0.000 2.226 308 Q HA 0.035 4.375 4.340 0.000 0.000 0.204 308 Q C 0.935 177.161 176.000 0.377 0.000 0.975 308 Q CA 1.473 57.402 55.803 0.209 0.000 0.866 308 Q CB -0.073 28.756 28.738 0.151 0.000 0.915 308 Q HN 0.808 nan 8.270 nan 0.000 0.440 309 E N -0.190 120.243 120.200 0.387 0.000 2.810 309 E HA 0.188 4.538 4.350 0.000 0.000 0.214 309 E C -0.186 176.705 176.600 0.485 0.000 0.980 309 E CA -0.177 56.483 56.400 0.433 0.000 1.159 309 E CB 1.061 30.923 29.700 0.269 0.000 1.047 309 E HN -0.023 nan 8.360 nan 0.000 0.484 310 R N 1.626 122.415 120.500 0.481 0.000 2.532 310 R HA 0.522 4.862 4.340 0.000 0.000 0.297 310 R C -1.645 174.697 176.300 0.070 0.000 0.984 310 R CA -0.422 55.845 56.100 0.279 0.000 0.884 310 R CB 1.391 31.738 30.300 0.077 0.000 1.182 310 R HN 0.049 nan 8.270 nan 0.000 0.442 311 I N 3.230 123.663 120.570 -0.228 0.000 2.545 311 I HA 0.383 4.553 4.170 0.000 0.000 0.292 311 I C -0.943 174.835 176.117 -0.565 0.000 1.040 311 I CA -0.496 60.367 61.300 -0.730 0.000 1.068 311 I CB 2.233 39.346 38.000 -1.478 0.000 1.251 311 I HN 0.844 nan 8.210 nan 0.000 0.424 312 S N 7.505 122.860 115.700 -0.575 0.000 2.501 312 S HA 0.782 5.252 4.470 0.000 0.000 0.301 312 S C -1.181 173.095 174.600 -0.541 0.000 1.096 312 S CA -0.600 57.346 58.200 -0.423 0.000 1.063 312 S CB 1.811 64.869 63.200 -0.236 0.000 1.042 312 S HN 0.454 nan 8.310 nan 0.000 0.494 313 L N 2.352 123.281 121.223 -0.489 0.000 2.401 313 L HA 0.544 4.884 4.340 0.000 0.000 0.266 313 L C -0.506 176.062 176.870 -0.502 0.000 0.991 313 L CA -0.151 54.295 54.840 -0.656 0.000 0.818 313 L CB 2.293 43.915 42.059 -0.730 0.000 1.321 313 L HN 0.813 nan 8.230 nan 0.000 0.413 314 Q N 1.983 121.429 119.800 -0.591 0.000 2.330 314 Q HA 0.447 4.787 4.340 0.000 0.000 0.269 314 Q C -1.669 174.055 176.000 -0.459 0.000 1.022 314 Q CA -0.542 55.036 55.803 -0.374 0.000 0.796 314 Q CB 2.231 30.818 28.738 -0.252 0.000 1.271 314 Q HN 0.494 nan 8.270 nan 0.000 0.450 315 W N 2.222 123.470 121.300 -0.087 0.000 2.647 315 W HA 0.669 5.329 4.660 0.000 0.000 0.353 315 W C -0.790 175.749 176.519 0.032 0.000 1.080 315 W CA -0.660 56.684 57.345 -0.001 0.000 1.208 315 W CB 1.134 30.583 29.460 -0.019 0.000 1.396 315 W HN 0.395 nan 8.180 nan 0.000 0.573 316 L N 1.934 123.386 121.223 0.383 0.000 2.464 316 L HA 0.524 4.864 4.340 0.000 0.000 0.266 316 L C -0.389 176.674 176.870 0.321 0.000 0.965 316 L CA -1.069 53.947 54.840 0.293 0.000 0.833 316 L CB 1.472 43.685 42.059 0.257 0.000 1.296 316 L HN 0.411 nan 8.230 nan 0.000 0.405 317 R N 2.748 123.400 120.500 0.252 0.000 2.641 317 R HA 0.275 4.615 4.340 0.000 0.000 0.269 317 R C 1.122 177.492 176.300 0.116 0.000 1.074 317 R CA -0.274 55.929 56.100 0.173 0.000 1.133 317 R CB 0.611 31.016 30.300 0.176 0.000 1.029 317 R HN 0.643 nan 8.270 nan 0.000 0.488 318 R N 1.508 121.981 120.500 -0.045 0.000 2.117 318 R HA -0.115 4.225 4.340 0.000 0.000 0.243 318 R C 0.402 176.768 176.300 0.109 0.000 1.143 318 R CA 1.213 57.282 56.100 -0.051 0.000 0.968 318 R CB 0.101 30.322 30.300 -0.132 0.000 0.863 318 R HN 0.414 nan 8.270 nan 0.000 0.444 319 I N 2.829 123.446 120.570 0.077 0.000 2.389 319 I HA -0.010 4.160 4.170 0.000 0.000 0.295 319 I C 0.442 176.628 176.117 0.114 0.000 1.117 319 I CA 0.560 61.908 61.300 0.080 0.000 1.317 319 I CB 0.908 38.940 38.000 0.055 0.000 1.431 319 I HN 0.218 nan 8.210 nan 0.000 0.521 320 Q N 4.577 124.441 119.800 0.107 0.000 2.292 320 Q HA -0.015 4.325 4.340 0.000 0.000 0.247 320 Q C 0.696 176.776 176.000 0.133 0.000 0.911 320 Q CA 0.003 55.881 55.803 0.125 0.000 0.948 320 Q CB -0.153 28.619 28.738 0.057 0.000 1.093 320 Q HN 0.619 nan 8.270 nan 0.000 0.428 321 N N -0.821 117.960 118.700 0.134 0.000 2.204 321 N HA -0.046 4.694 4.740 0.000 0.000 0.219 321 N C -0.995 174.618 175.510 0.173 0.000 1.151 321 N CA -0.178 52.943 53.050 0.118 0.000 0.867 321 N CB 0.317 38.850 38.487 0.077 0.000 1.043 321 N HN 0.177 nan 8.380 nan 0.000 0.516 322 Y N 1.208 121.535 120.300 0.045 0.000 2.354 322 Y HA 0.562 5.112 4.550 0.000 0.000 0.330 322 Y C -1.037 174.899 175.900 0.060 0.000 1.011 322 Y CA -0.923 57.201 58.100 0.040 0.000 1.099 322 Y CB 1.516 39.990 38.460 0.024 0.000 1.179 322 Y HN 0.150 nan 8.280 nan 0.000 0.442 323 S N 4.408 119.884 115.700 -0.373 0.000 2.595 323 S HA 0.928 5.399 4.470 0.000 0.000 0.281 323 S C -2.096 172.310 174.600 -0.323 0.000 1.117 323 S CA -0.687 57.388 58.200 -0.208 0.000 0.873 323 S CB 1.899 65.063 63.200 -0.060 0.000 1.108 323 S HN 0.508 nan 8.310 nan 0.000 0.477 324 V N 2.561 122.412 119.914 -0.106 0.000 2.760 324 V HA 0.557 4.677 4.120 0.000 0.000 0.309 324 V C -0.626 175.489 176.094 0.035 0.000 1.077 324 V CA -0.650 61.610 62.300 -0.066 0.000 0.910 324 V CB 1.936 33.742 31.823 -0.029 0.000 1.008 324 V HN 1.034 nan 8.190 nan 0.000 0.424 325 M N 3.480 123.083 119.600 0.005 0.000 2.268 325 M HA 0.549 5.029 4.480 0.000 0.000 0.344 325 M C -1.317 174.998 176.300 0.026 0.000 1.106 325 M CA -0.322 54.969 55.300 -0.016 0.000 1.010 325 M CB 1.270 33.815 32.600 -0.092 0.000 1.649 325 M HN 0.613 nan 8.290 nan 0.000 0.443 326 D N 4.847 125.255 120.400 0.013 0.000 2.181 326 D HA 0.554 5.194 4.640 0.000 0.000 0.248 326 D C -1.034 175.230 176.300 -0.060 0.000 1.020 326 D CA -0.010 53.989 54.000 -0.002 0.000 0.891 326 D CB 1.737 42.556 40.800 0.032 0.000 1.187 326 D HN 0.594 nan 8.370 nan 0.000 0.443 327 I N 2.159 122.717 120.570 -0.021 0.000 2.439 327 I HA 0.274 4.444 4.170 0.000 0.000 0.285 327 I C -0.691 175.420 176.117 -0.009 0.000 1.021 327 I CA -0.581 60.702 61.300 -0.028 0.000 1.091 327 I CB 1.424 39.464 38.000 0.067 0.000 1.242 327 I HN 0.160 nan 8.210 nan 0.000 0.439 328 c N 3.904 122.486 118.600 -0.031 0.000 2.382 328 c HA 0.544 5.115 4.570 0.000 0.000 0.327 328 c C -0.305 173.941 174.090 0.260 0.000 1.250 328 c CA -0.684 55.700 56.329 0.093 0.000 1.707 328 c CB 1.093 43.647 42.510 0.074 0.000 2.272 328 c HN 0.572 nan 8.230 nan 0.000 0.506 329 D N 0.531 121.073 120.400 0.238 0.000 2.248 329 D HA 0.284 4.925 4.640 0.000 0.000 0.246 329 D C -0.534 175.722 176.300 -0.074 0.000 1.027 329 D CA -0.235 53.860 54.000 0.158 0.000 0.853 329 D CB 0.966 41.796 40.800 0.050 0.000 1.243 329 D HN 0.553 nan 8.370 nan 0.000 0.462 330 Y N 1.312 121.208 120.300 -0.672 0.000 2.511 330 Y HA 0.158 4.708 4.550 0.000 0.000 0.332 330 Y C -0.027 175.582 175.900 -0.484 0.000 1.177 330 Y CA 0.022 57.434 58.100 -1.146 0.000 1.422 330 Y CB 0.634 38.415 38.460 -1.132 0.000 1.271 330 Y HN 0.175 nan 8.280 nan 0.000 0.550 331 D N 4.810 124.567 120.400 -1.070 0.000 2.462 331 D HA 0.138 4.778 4.640 0.000 0.000 0.249 331 D C 0.781 176.579 176.300 -0.836 0.000 1.117 331 D CA -0.171 53.425 54.000 -0.674 0.000 0.900 331 D CB 0.536 41.101 40.800 -0.392 0.000 1.039 331 D HN 0.781 nan 8.370 nan 0.000 0.516 332 E N 1.085 120.889 120.200 -0.660 0.000 2.147 332 E HA -0.235 4.115 4.350 0.000 0.000 0.199 332 E C 1.511 177.957 176.600 -0.256 0.000 1.005 332 E CA 1.758 57.905 56.400 -0.422 0.000 0.810 332 E CB 0.319 29.941 29.700 -0.130 0.000 0.736 332 E HN 0.525 nan 8.360 nan 0.000 0.460 333 S N -0.579 114.992 115.700 -0.214 0.000 2.402 333 S HA -0.140 4.330 4.470 0.000 0.000 0.229 333 S C 2.016 176.547 174.600 -0.114 0.000 1.021 333 S CA 1.159 59.282 58.200 -0.127 0.000 0.974 333 S CB 0.002 63.139 63.200 -0.106 0.000 0.800 333 S HN 0.309 nan 8.310 nan 0.000 0.484 334 S N -0.183 115.420 115.700 -0.163 0.000 2.526 334 S HA 0.502 4.972 4.470 0.000 0.000 0.220 334 S C 1.559 176.100 174.600 -0.099 0.000 1.017 334 S CA 0.470 58.605 58.200 -0.109 0.000 0.930 334 S CB -0.128 63.014 63.200 -0.097 0.000 0.856 334 S HN 1.271 nan 8.310 nan 0.000 0.497 335 G N 1.341 110.017 108.800 -0.208 0.000 2.155 335 G HA2 -0.287 3.673 3.960 0.000 0.000 0.257 335 G HA3 -0.287 3.673 3.960 0.000 0.000 0.257 335 G C 0.163 175.072 174.900 0.016 0.000 0.983 335 G CA 0.572 45.627 45.100 -0.074 0.000 0.676 335 G HN 0.646 nan 8.290 nan 0.000 0.528 336 R N -1.924 118.471 120.500 -0.173 0.000 2.944 336 R HA 0.691 5.031 4.340 0.000 0.000 0.233 336 R C -0.879 175.312 176.300 -0.182 0.000 1.346 336 R CA -0.920 55.172 56.100 -0.013 0.000 1.082 336 R CB 0.763 31.081 30.300 0.031 0.000 1.434 336 R HN 0.148 nan 8.270 nan 0.000 0.510 337 W N 0.528 121.856 121.300 0.045 0.000 2.532 337 W HA 0.392 5.052 4.660 0.000 0.000 0.321 337 W C -0.341 176.164 176.519 -0.023 0.000 1.037 337 W CA -0.330 57.028 57.345 0.022 0.000 1.220 337 W CB 1.092 30.559 29.460 0.012 0.000 1.361 337 W HN 0.381 nan 8.180 nan 0.000 0.468 338 N N 3.129 121.908 118.700 0.131 0.000 2.446 338 N HA 0.411 5.151 4.740 0.000 0.000 0.265 338 N C -1.249 174.302 175.510 0.068 0.000 0.975 338 N CA -0.520 52.565 53.050 0.058 0.000 0.928 338 N CB 0.663 39.142 38.487 -0.012 0.000 1.160 338 N HN 0.390 nan 8.380 nan 0.000 0.495 339 c N 5.620 124.245 118.600 0.042 0.000 2.146 339 c HA 0.319 4.889 4.570 0.000 0.000 0.338 339 c C 0.736 174.822 174.090 -0.005 0.000 1.074 339 c CA -1.125 55.213 56.329 0.016 0.000 1.527 339 c CB -1.683 40.823 42.510 -0.007 0.000 1.915 339 c HN 0.607 nan 8.230 nan 0.000 0.453 340 L N 2.719 123.942 121.223 -0.001 0.000 2.584 340 L HA 0.000 4.341 4.340 0.000 0.000 0.272 340 L C 1.537 178.390 176.870 -0.028 0.000 1.195 340 L CA 0.044 54.875 54.840 -0.014 0.000 0.920 340 L CB 0.147 42.201 42.059 -0.008 0.000 1.173 340 L HN 0.560 nan 8.230 nan 0.000 0.489 341 V N 3.101 122.991 119.914 -0.040 0.000 2.660 341 V HA -0.331 3.790 4.120 0.000 0.000 0.257 341 V C 2.390 178.445 176.094 -0.065 0.000 1.088 341 V CA 2.013 64.281 62.300 -0.054 0.000 1.106 341 V CB -0.879 30.912 31.823 -0.053 0.000 0.686 341 V HN 1.025 nan 8.190 nan 0.000 0.481 342 A N 0.036 122.823 122.820 -0.055 0.000 2.067 342 A HA -0.127 4.194 4.320 0.000 0.000 0.219 342 A C 2.341 179.871 177.584 -0.090 0.000 1.158 342 A CA 1.294 53.292 52.037 -0.064 0.000 0.661 342 A CB -0.349 18.626 19.000 -0.041 0.000 0.801 342 A HN 0.541 nan 8.150 nan 0.000 0.452 343 R N -0.337 120.125 120.500 -0.064 0.000 2.300 343 R HA 0.120 4.460 4.340 0.000 0.000 0.199 343 R C 0.234 176.467 176.300 -0.111 0.000 0.920 343 R CA -0.145 55.926 56.100 -0.047 0.000 1.046 343 R CB 0.103 30.435 30.300 0.054 0.000 0.984 343 R HN 0.625 nan 8.270 nan 0.000 0.493 344 Q N 0.463 120.183 119.800 -0.134 0.000 2.428 344 Q HA -0.029 4.311 4.340 0.000 0.000 0.276 344 Q C -0.735 175.072 176.000 -0.322 0.000 1.059 344 Q CA 0.909 56.639 55.803 -0.123 0.000 0.923 344 Q CB 0.446 29.131 28.738 -0.088 0.000 1.283 344 Q HN 0.263 nan 8.270 nan 0.000 0.447 345 H N 0.683 119.741 119.070 -0.019 0.000 3.036 345 H HA 0.318 4.874 4.556 0.000 0.000 0.295 345 H C -0.856 174.434 175.328 -0.063 0.000 1.124 345 H CA -0.313 55.726 56.048 -0.015 0.000 1.507 345 H CB 0.474 30.229 29.762 -0.012 0.000 1.591 345 H HN 0.420 nan 8.280 nan 0.000 0.510 346 I N 2.175 122.745 120.570 0.001 0.000 2.533 346 I HA 0.092 4.263 4.170 0.000 0.000 0.284 346 I C 0.447 176.507 176.117 -0.095 0.000 1.109 346 I CA 0.428 61.655 61.300 -0.122 0.000 1.412 346 I CB 0.573 38.520 38.000 -0.089 0.000 1.396 346 I HN 0.572 nan 8.210 nan 0.000 0.543 347 E N 8.740 128.828 120.200 -0.187 0.000 2.234 347 E HA 0.694 5.044 4.350 0.000 0.000 0.266 347 E C -0.992 175.527 176.600 -0.135 0.000 0.877 347 E CA -0.854 55.491 56.400 -0.093 0.000 0.758 347 E CB 1.625 31.298 29.700 -0.045 0.000 1.170 347 E HN 0.678 nan 8.360 nan 0.000 0.415 348 M N 1.606 121.187 119.600 -0.032 0.000 2.683 348 M HA 0.594 5.074 4.480 0.000 0.000 0.274 348 M C -1.706 174.611 176.300 0.027 0.000 1.272 348 M CA -0.789 54.522 55.300 0.020 0.000 0.833 348 M CB 2.156 34.834 32.600 0.129 0.000 1.708 348 M HN 0.381 nan 8.290 nan 0.000 0.463 349 S N -0.406 115.308 115.700 0.023 0.000 2.541 349 S HA 0.659 5.129 4.470 0.000 0.000 0.280 349 S C 0.112 174.700 174.600 -0.020 0.000 1.112 349 S CA 0.173 58.362 58.200 -0.018 0.000 0.925 349 S CB 1.937 65.081 63.200 -0.092 0.000 1.067 349 S HN 0.906 nan 8.310 nan 0.000 0.479 350 T N -0.323 114.218 114.554 -0.023 0.000 3.015 350 T HA 0.079 4.429 4.350 0.000 0.000 0.250 350 T C 1.645 176.320 174.700 -0.041 0.000 1.057 350 T CA 0.904 62.994 62.100 -0.016 0.000 1.066 350 T CB -0.391 68.477 68.868 0.000 0.000 0.959 350 T HN 0.724 nan 8.240 nan 0.000 0.488 351 T N -1.394 113.119 114.554 -0.068 0.000 3.037 351 T HA 0.582 4.932 4.350 0.000 0.000 0.251 351 T C 1.128 175.662 174.700 -0.278 0.000 1.079 351 T CA 0.558 62.619 62.100 -0.065 0.000 1.067 351 T CB 0.224 69.123 68.868 0.053 0.000 0.948 351 T HN 0.587 nan 8.240 nan 0.000 0.496 352 G N 0.318 108.768 108.800 -0.583 0.000 2.696 352 G HA2 0.474 4.434 3.960 0.000 0.000 0.151 352 G HA3 0.474 4.434 3.960 0.000 0.000 0.151 352 G C -1.711 172.912 174.900 -0.462 0.000 1.197 352 G CA -0.543 44.033 45.100 -0.873 0.000 1.053 352 G HN 0.533 nan 8.290 nan 0.000 0.546 353 W N 0.167 121.192 121.300 -0.458 0.000 2.485 353 W HA 0.762 5.422 4.660 0.001 0.000 0.364 353 W C -0.353 176.104 176.519 -0.103 0.000 1.171 353 W CA -1.379 55.838 57.345 -0.213 0.000 1.304 353 W CB 0.945 30.268 29.460 -0.227 0.000 1.335 353 W HN 0.272 nan 8.180 nan 0.000 0.643 354 V N 3.696 123.671 119.914 0.101 0.000 2.488 354 V HA 0.586 4.706 4.120 0.000 0.000 0.277 354 V C 0.922 177.084 176.094 0.115 0.000 1.046 354 V CA 0.744 63.071 62.300 0.045 0.000 0.986 354 V CB -0.185 31.666 31.823 0.047 0.000 0.989 354 V HN 1.296 nan 8.190 nan 0.000 0.475 355 G N 5.236 114.057 108.800 0.035 0.000 2.795 355 G HA2 -0.198 3.762 3.960 0.000 0.000 0.664 355 G HA3 -0.198 3.762 3.960 0.000 0.000 0.664 355 G C 0.367 175.325 174.900 0.095 0.000 1.381 355 G CA 0.202 45.342 45.100 0.068 0.000 0.853 355 G HN 0.629 nan 8.290 nan 0.000 0.545 356 R N -0.874 119.659 120.500 0.054 0.000 2.062 356 R HA 0.134 4.474 4.340 0.000 0.000 0.229 356 R C 1.990 178.142 176.300 -0.248 0.000 1.128 356 R CA 2.198 58.238 56.100 -0.099 0.000 0.960 356 R CB -0.104 30.111 30.300 -0.142 0.000 0.855 356 R HN 0.492 nan 8.270 nan 0.000 0.432 357 F N -1.047 119.030 119.950 0.210 0.000 2.819 357 F HA 0.261 4.788 4.527 0.000 0.000 0.325 357 F C 0.647 176.457 175.800 0.018 0.000 1.041 357 F CA -0.466 57.592 58.000 0.098 0.000 1.184 357 F CB 0.657 39.703 39.000 0.077 0.000 1.019 357 F HN -0.122 nan 8.300 nan 0.000 0.590 358 R N -0.605 120.015 120.500 0.200 0.000 2.733 358 R HA 0.462 4.802 4.340 0.000 0.000 0.272 358 R C -3.323 173.028 176.300 0.085 0.000 1.029 358 R CA -1.895 54.257 56.100 0.087 0.000 0.888 358 R CB 0.394 30.701 30.300 0.012 0.000 1.251 358 R HN -0.353 nan 8.270 nan 0.000 0.464 359 P HA -0.029 nan 4.420 nan 0.000 0.264 359 P C -0.345 176.969 177.300 0.023 0.000 1.183 359 P CA 0.285 63.396 63.100 0.019 0.000 0.763 359 P CB 0.612 32.298 31.700 -0.024 0.000 0.807 360 S N 1.700 117.423 115.700 0.037 0.000 2.584 360 S HA 0.173 4.643 4.470 0.000 0.000 0.270 360 S C 0.041 174.645 174.600 0.007 0.000 1.346 360 S CA -0.753 57.483 58.200 0.060 0.000 1.018 360 S CB 0.194 63.451 63.200 0.094 0.000 0.899 360 S HN 0.493 nan 8.310 nan 0.000 0.542 361 E N 1.094 121.305 120.200 0.019 0.000 2.301 361 E HA 0.479 4.829 4.350 0.000 0.000 0.275 361 E C -2.662 173.865 176.600 -0.121 0.000 1.030 361 E CA -2.214 54.140 56.400 -0.077 0.000 0.852 361 E CB 0.035 29.687 29.700 -0.079 0.000 1.060 361 E HN 0.391 nan 8.360 nan 0.000 0.401 362 P HA 0.146 nan 4.420 nan 0.000 0.282 362 P C -1.019 176.112 177.300 -0.281 0.000 1.249 362 P CA -0.355 62.576 63.100 -0.283 0.000 0.806 362 P CB 0.811 32.038 31.700 -0.788 0.000 0.984 363 H N 2.018 121.105 119.070 0.029 0.000 2.539 363 H HA 0.330 4.886 4.556 0.000 0.000 0.332 363 H C -0.369 175.066 175.328 0.177 0.000 1.031 363 H CA -0.277 55.873 56.048 0.170 0.000 1.206 363 H CB 0.668 30.557 29.762 0.212 0.000 1.446 363 H HN 0.309 nan 8.280 nan 0.000 0.496 364 F N 1.421 121.569 119.950 0.329 0.000 2.377 364 F HA 0.144 4.671 4.527 0.000 0.000 0.328 364 F C 1.376 177.367 175.800 0.317 0.000 1.094 364 F CA -0.579 57.615 58.000 0.323 0.000 1.093 364 F CB 1.181 40.306 39.000 0.209 0.000 1.214 364 F HN 0.377 nan 8.300 nan 0.000 0.518 365 T N 0.121 114.967 114.554 0.487 0.000 2.828 365 T HA 0.154 4.504 4.350 0.000 0.000 0.290 365 T C 1.068 175.957 174.700 0.315 0.000 1.019 365 T CA -0.746 61.576 62.100 0.370 0.000 1.031 365 T CB 0.844 69.907 68.868 0.326 0.000 1.001 365 T HN 0.588 nan 8.240 nan 0.000 0.531 366 L N 1.234 122.599 121.223 0.236 0.000 2.043 366 L HA -0.134 4.206 4.340 0.000 0.000 0.212 366 L C 2.173 179.148 176.870 0.176 0.000 1.075 366 L CA 2.365 57.319 54.840 0.190 0.000 0.752 366 L CB -0.826 41.322 42.059 0.148 0.000 0.891 366 L HN 0.944 nan 8.230 nan 0.000 0.432 367 D N -1.216 119.289 120.400 0.175 0.000 2.347 367 D HA 0.031 4.671 4.640 0.000 0.000 0.215 367 D C 1.570 177.974 176.300 0.173 0.000 0.976 367 D CA 0.788 54.880 54.000 0.154 0.000 0.884 367 D CB -0.518 40.363 40.800 0.134 0.000 0.915 367 D HN 0.406 nan 8.370 nan 0.000 0.526 368 G N 0.644 109.588 108.800 0.239 0.000 2.176 368 G HA2 -0.316 3.644 3.960 0.000 0.000 0.252 368 G HA3 -0.316 3.644 3.960 0.000 0.000 0.252 368 G C 0.747 175.839 174.900 0.320 0.000 1.024 368 G CA 0.352 45.620 45.100 0.279 0.000 0.755 368 G HN 0.415 nan 8.290 nan 0.000 0.507 369 N N -0.285 118.585 118.700 0.284 0.000 2.282 369 N HA 0.135 4.875 4.740 0.000 0.000 0.185 369 N C 0.855 176.490 175.510 0.208 0.000 1.099 369 N CA 1.059 54.244 53.050 0.226 0.000 0.878 369 N CB 0.559 39.134 38.487 0.147 0.000 0.993 369 N HN 0.809 nan 8.380 nan 0.000 0.481 370 S N -0.033 115.811 115.700 0.239 0.000 2.588 370 S HA 0.758 5.228 4.470 0.000 0.000 0.275 370 S C -0.919 173.727 174.600 0.076 0.000 1.130 370 S CA -0.924 57.282 58.200 0.010 0.000 0.855 370 S CB 1.844 64.978 63.200 -0.110 0.000 1.116 370 S HN 0.145 nan 8.310 nan 0.000 0.472 371 F N -1.712 118.041 119.950 -0.327 0.000 2.645 371 F HA 0.822 5.350 4.527 0.001 0.000 0.310 371 F C -2.009 173.602 175.800 -0.315 0.000 1.102 371 F CA -1.554 56.183 58.000 -0.439 0.000 0.952 371 F CB 0.592 38.879 39.000 -1.187 0.000 1.326 371 F HN 0.588 nan 8.300 nan 0.000 0.456 372 Y N 1.195 121.640 120.300 0.242 0.000 2.420 372 Y HA 0.711 5.261 4.550 0.000 0.000 0.334 372 Y C -0.152 175.932 175.900 0.305 0.000 1.094 372 Y CA -0.832 57.416 58.100 0.248 0.000 1.126 372 Y CB 2.049 40.604 38.460 0.159 0.000 1.217 372 Y HN 0.773 nan 8.280 nan 0.000 0.462 373 K N 2.143 122.802 120.400 0.432 0.000 2.557 373 K HA 0.493 4.813 4.320 0.000 0.000 0.261 373 K C -1.918 174.855 176.600 0.289 0.000 0.932 373 K CA -0.508 55.977 56.287 0.330 0.000 0.829 373 K CB 1.423 34.063 32.500 0.233 0.000 1.358 373 K HN 0.717 nan 8.250 nan 0.000 0.430 374 I N 6.267 126.968 120.570 0.218 0.000 2.363 374 I HA 0.242 4.412 4.170 0.000 0.000 0.292 374 I C 0.195 176.417 176.117 0.174 0.000 1.075 374 I CA -0.392 61.012 61.300 0.173 0.000 1.333 374 I CB 0.142 38.215 38.000 0.122 0.000 1.415 374 I HN 0.523 nan 8.210 nan 0.000 0.502 375 I N 3.203 123.917 120.570 0.239 0.000 2.934 375 I HA 0.511 4.681 4.170 0.000 0.000 0.306 375 I C -0.084 176.156 176.117 0.205 0.000 1.110 375 I CA -0.539 60.894 61.300 0.221 0.000 1.019 375 I CB 2.268 40.427 38.000 0.265 0.000 1.227 375 I HN 0.411 nan 8.210 nan 0.000 0.434 376 S N 4.201 119.960 115.700 0.097 0.000 2.528 376 S HA 0.268 4.738 4.470 0.000 0.000 0.277 376 S C 0.061 174.699 174.600 0.063 0.000 1.297 376 S CA -0.545 57.653 58.200 -0.003 0.000 1.052 376 S CB -0.309 62.836 63.200 -0.091 0.000 0.917 376 S HN 0.923 nan 8.310 nan 0.000 0.492 377 N N 3.459 122.092 118.700 -0.111 0.000 2.374 377 N HA 0.148 4.888 4.740 0.000 0.000 0.284 377 N C 0.661 176.149 175.510 -0.036 0.000 1.280 377 N CA -0.616 52.340 53.050 -0.157 0.000 0.963 377 N CB 0.242 38.283 38.487 -0.743 0.000 1.141 377 N HN 0.759 nan 8.380 nan 0.000 0.565 378 E N -0.232 119.961 120.200 -0.010 0.000 2.478 378 E HA -0.086 4.264 4.350 0.000 0.000 0.194 378 E C 0.504 177.087 176.600 -0.027 0.000 1.045 378 E CA 0.697 57.095 56.400 -0.003 0.000 0.868 378 E CB -0.223 29.489 29.700 0.020 0.000 0.885 378 E HN 0.648 nan 8.360 nan 0.000 0.505 379 E N 0.921 121.102 120.200 -0.031 0.000 2.489 379 E HA 0.117 4.467 4.350 0.000 0.000 0.193 379 E C 0.936 177.532 176.600 -0.007 0.000 1.057 379 E CA 0.580 56.993 56.400 0.022 0.000 0.866 379 E CB 0.245 29.988 29.700 0.073 0.000 0.916 379 E HN 0.401 nan 8.360 nan 0.000 0.500 380 G N 1.044 109.783 108.800 -0.103 0.000 2.130 380 G HA2 -0.265 3.696 3.960 0.000 0.000 0.216 380 G HA3 -0.265 3.696 3.960 0.000 0.000 0.216 380 G C -0.466 174.150 174.900 -0.474 0.000 0.999 380 G CA -0.150 44.776 45.100 -0.289 0.000 0.686 380 G HN 0.230 nan 8.290 nan 0.000 0.515 381 Y N -0.321 119.850 120.300 -0.215 0.000 2.377 381 Y HA 0.658 5.208 4.550 0.001 0.000 0.339 381 Y C 1.006 176.749 175.900 -0.261 0.000 1.011 381 Y CA -0.993 56.966 58.100 -0.235 0.000 1.093 381 Y CB 1.284 39.622 38.460 -0.204 0.000 1.201 381 Y HN 0.086 nan 8.280 nan 0.000 0.455 382 R N 3.623 123.997 120.500 -0.210 0.000 2.248 382 R HA 0.231 4.571 4.340 0.000 0.000 0.337 382 R C -0.812 175.221 176.300 -0.445 0.000 1.085 382 R CA 0.080 56.044 56.100 -0.226 0.000 0.934 382 R CB -0.106 30.100 30.300 -0.157 0.000 1.034 382 R HN 0.637 nan 8.270 nan 0.000 0.465 383 H N 1.941 120.886 119.070 -0.208 0.000 2.834 383 H HA 0.323 4.879 4.556 0.000 0.000 0.369 383 H C -0.023 175.300 175.328 -0.009 0.000 1.174 383 H CA -0.991 54.904 56.048 -0.254 0.000 1.165 383 H CB 1.752 31.197 29.762 -0.528 0.000 1.820 383 H HN 0.303 nan 8.280 nan 0.000 0.558 384 I N 1.436 122.056 120.570 0.083 0.000 2.452 384 I HA -0.002 4.168 4.170 0.000 0.000 0.287 384 I C 0.465 176.729 176.117 0.245 0.000 1.079 384 I CA 0.258 61.625 61.300 0.111 0.000 1.387 384 I CB 0.247 38.197 38.000 -0.082 0.000 1.404 384 I HN 0.172 nan 8.210 nan 0.000 0.522 385 c N 7.155 125.902 118.600 0.245 0.000 2.435 385 c HA 0.481 5.051 4.570 0.000 0.000 0.333 385 c C -0.553 173.523 174.090 -0.024 0.000 1.202 385 c CA -0.451 55.866 56.329 -0.019 0.000 1.830 385 c CB 1.141 43.489 42.510 -0.272 0.000 2.326 385 c HN 0.648 nan 8.230 nan 0.000 0.507 386 Y N 3.932 123.948 120.300 -0.473 0.000 2.328 386 Y HA 0.685 5.235 4.550 0.000 0.000 0.333 386 Y C -1.217 174.222 175.900 -0.769 0.000 0.958 386 Y CA -1.163 56.601 58.100 -0.560 0.000 1.167 386 Y CB 0.360 38.594 38.460 -0.375 0.000 1.151 386 Y HN 0.613 nan 8.280 nan 0.000 0.470 387 F N 4.086 123.238 119.950 -1.330 0.000 2.492 387 F HA 0.518 5.046 4.527 0.001 0.000 0.327 387 F C -0.266 174.796 175.800 -1.230 0.000 1.079 387 F CA -0.801 56.402 58.000 -1.328 0.000 0.967 387 F CB 1.646 39.475 39.000 -1.952 0.000 1.169 387 F HN 0.298 nan 8.300 nan 0.000 0.472 388 Q N 3.301 122.764 119.800 -0.563 0.000 2.293 388 Q HA 0.340 4.680 4.340 0.000 0.000 0.261 388 Q C 1.288 177.272 176.000 -0.027 0.000 0.960 388 Q CA -0.417 55.208 55.803 -0.297 0.000 0.882 388 Q CB 1.878 30.489 28.738 -0.211 0.000 1.275 388 Q HN 0.836 nan 8.270 nan 0.000 0.445 389 I N -0.910 119.718 120.570 0.097 0.000 2.181 389 I HA -0.350 3.821 4.170 0.000 0.000 0.247 389 I C 0.366 176.658 176.117 0.293 0.000 1.081 389 I CA 2.197 63.669 61.300 0.287 0.000 1.340 389 I CB -0.269 37.886 38.000 0.258 0.000 1.036 389 I HN 0.416 nan 8.210 nan 0.000 0.417 390 D N -0.328 120.157 120.400 0.142 0.000 2.454 390 D HA 0.144 4.784 4.640 0.000 0.000 0.214 390 D C 0.553 176.871 176.300 0.031 0.000 1.088 390 D CA -0.084 53.956 54.000 0.067 0.000 0.855 390 D CB -0.063 40.758 40.800 0.035 0.000 1.025 390 D HN 0.270 nan 8.370 nan 0.000 0.502 391 K N 0.643 121.066 120.400 0.039 0.000 2.322 391 K HA 0.195 4.515 4.320 0.000 0.000 0.283 391 K C 0.710 177.344 176.600 0.057 0.000 1.042 391 K CA -0.277 56.011 56.287 0.002 0.000 0.958 391 K CB 1.309 33.776 32.500 -0.056 0.000 0.984 391 K HN -0.232 nan 8.250 nan 0.000 0.473 392 K N 1.366 121.770 120.400 0.007 0.000 2.305 392 K HA 0.017 4.337 4.320 0.000 0.000 0.199 392 K C -0.064 176.567 176.600 0.051 0.000 1.047 392 K CA 1.021 57.324 56.287 0.028 0.000 0.976 392 K CB 0.189 32.672 32.500 -0.029 0.000 0.765 392 K HN 0.526 nan 8.250 nan 0.000 0.474 393 D N -1.263 119.103 120.400 -0.056 0.000 2.478 393 D HA 0.249 4.890 4.640 0.000 0.000 0.263 393 D C -0.350 175.722 176.300 -0.380 0.000 1.153 393 D CA -0.465 53.435 54.000 -0.167 0.000 1.038 393 D CB 1.254 41.955 40.800 -0.166 0.000 1.120 393 D HN 0.270 nan 8.370 nan 0.000 0.564 394 c N -1.920 116.314 118.600 -0.611 0.000 3.154 394 c HA 0.850 5.420 4.570 0.000 0.000 0.312 394 c C -0.559 173.111 174.090 -0.700 0.000 1.349 394 c CA -0.630 55.126 56.329 -0.955 0.000 1.518 394 c CB 1.276 42.594 42.510 -1.987 0.000 1.934 394 c HN 0.468 nan 8.230 nan 0.000 0.462 395 T N 1.994 116.200 114.554 -0.579 0.000 2.770 395 T HA 0.526 4.876 4.350 0.000 0.000 0.283 395 T C -0.692 173.828 174.700 -0.299 0.000 0.988 395 T CA 0.093 62.001 62.100 -0.320 0.000 0.957 395 T CB 0.415 69.258 68.868 -0.042 0.000 0.930 395 T HN 0.468 nan 8.240 nan 0.000 0.443 396 F N 3.179 123.043 119.950 -0.142 0.000 2.538 396 F HA 0.229 4.756 4.527 0.000 0.000 0.371 396 F C 1.585 177.275 175.800 -0.183 0.000 1.087 396 F CA -1.146 56.759 58.000 -0.158 0.000 1.250 396 F CB 0.258 39.154 39.000 -0.174 0.000 1.110 396 F HN 0.583 nan 8.300 nan 0.000 0.570 397 I N -0.436 120.090 120.570 -0.072 0.000 4.018 397 I HA 0.249 4.419 4.170 0.000 0.000 0.337 397 I C 0.115 176.078 176.117 -0.258 0.000 1.327 397 I CA 0.109 61.160 61.300 -0.415 0.000 1.100 397 I CB 0.051 37.514 38.000 -0.895 0.000 1.025 397 I HN 0.480 nan 8.210 nan 0.000 0.396 398 T N -0.257 114.191 114.554 -0.177 0.000 2.909 398 T HA 0.724 5.074 4.350 0.000 0.000 0.299 398 T C -0.711 173.581 174.700 -0.681 0.000 1.073 398 T CA -0.714 61.242 62.100 -0.240 0.000 0.999 398 T CB 2.562 71.380 68.868 -0.083 0.000 1.098 398 T HN 0.420 nan 8.240 nan 0.000 0.477 399 K N 0.459 120.376 120.400 -0.806 0.000 2.469 399 K HA 0.995 5.316 4.320 0.000 0.000 0.268 399 K C -0.088 175.893 176.600 -1.032 0.000 1.027 399 K CA -0.952 54.581 56.287 -1.258 0.000 0.893 399 K CB 1.503 33.609 32.500 -0.656 0.000 1.460 399 K HN 1.357 nan 8.250 nan 0.000 0.449 400 G N -0.740 107.505 108.800 -0.925 0.000 2.359 400 G HA2 0.118 4.078 3.960 0.000 0.000 0.314 400 G HA3 0.118 4.078 3.960 0.000 0.000 0.314 400 G C -1.232 173.158 174.900 -0.849 0.000 1.364 400 G CA -0.843 43.866 45.100 -0.651 0.000 0.978 400 G HN 0.453 nan 8.290 nan 0.000 0.615 401 T N 2.513 116.768 114.554 -0.498 0.000 3.783 401 T HA 0.523 4.873 4.350 0.000 0.000 0.262 401 T C -0.423 174.156 174.700 -0.202 0.000 1.381 401 T CA 0.519 62.209 62.100 -0.682 0.000 1.155 401 T CB -1.095 67.601 68.868 -0.287 0.000 1.256 401 T HN 0.793 nan 8.240 nan 0.000 0.807 402 W N -0.042 121.088 121.300 -0.284 0.000 3.064 402 W HA 0.480 5.140 4.660 0.000 0.000 0.328 402 W C -1.523 174.964 176.519 -0.054 0.000 1.210 402 W CA -0.949 56.373 57.345 -0.037 0.000 1.178 402 W CB 0.567 29.989 29.460 -0.063 0.000 1.416 402 W HN 0.005 nan 8.180 nan 0.000 0.568 403 E N 1.004 121.323 120.200 0.198 0.000 2.244 403 E HA 0.478 4.828 4.350 0.000 0.000 0.266 403 E C -0.790 175.862 176.600 0.087 0.000 0.914 403 E CA -1.225 55.119 56.400 -0.094 0.000 0.794 403 E CB 3.242 32.955 29.700 0.021 0.000 1.210 403 E HN 0.189 nan 8.360 nan 0.000 0.414 404 V N 3.859 123.704 119.914 -0.115 0.000 2.488 404 V HA -0.016 4.104 4.120 0.000 0.000 0.277 404 V C 1.261 177.435 176.094 0.134 0.000 1.046 404 V CA -0.084 62.273 62.300 0.095 0.000 0.986 404 V CB 0.564 32.357 31.823 -0.051 0.000 0.989 404 V HN 0.692 nan 8.190 nan 0.000 0.475 405 I N 3.187 123.867 120.570 0.183 0.000 2.333 405 I HA 0.204 4.374 4.170 0.000 0.000 0.246 405 I C 1.151 177.380 176.117 0.186 0.000 1.106 405 I CA 1.214 62.615 61.300 0.169 0.000 1.411 405 I CB -0.894 37.144 38.000 0.064 0.000 1.082 405 I HN 0.788 nan 8.210 nan 0.000 0.420 406 G N 0.310 109.225 108.800 0.191 0.000 2.616 406 G HA2 0.490 4.450 3.960 0.000 0.000 0.294 406 G HA3 0.490 4.450 3.960 0.000 0.000 0.294 406 G C -1.244 173.764 174.900 0.180 0.000 1.489 406 G CA -0.617 44.598 45.100 0.191 0.000 0.836 406 G HN -0.043 nan 8.290 nan 0.000 0.527 407 I N 1.720 122.358 120.570 0.113 0.000 2.371 407 I HA 0.235 4.405 4.170 0.000 0.000 0.290 407 I C 0.846 176.894 176.117 -0.115 0.000 1.028 407 I CA -0.492 60.770 61.300 -0.062 0.000 1.345 407 I CB 1.596 39.385 38.000 -0.351 0.000 1.407 407 I HN 0.502 nan 8.210 nan 0.000 0.501 408 E N 4.884 125.064 120.200 -0.033 0.000 2.162 408 E HA 0.310 4.660 4.350 0.000 0.000 0.193 408 E C 0.209 176.715 176.600 -0.158 0.000 0.953 408 E CA 0.329 56.737 56.400 0.014 0.000 0.849 408 E CB 0.559 30.356 29.700 0.161 0.000 0.810 408 E HN 0.676 nan 8.360 nan 0.000 0.470 409 A N 0.623 123.262 122.820 -0.301 0.000 2.606 409 A HA 0.629 4.949 4.320 0.000 0.000 0.293 409 A C -1.685 175.805 177.584 -0.157 0.000 1.082 409 A CA -0.574 51.221 52.037 -0.403 0.000 0.685 409 A CB 1.551 19.828 19.000 -1.205 0.000 1.284 409 A HN 0.080 nan 8.150 nan 0.000 0.408 410 L N 2.810 123.989 121.223 -0.072 0.000 2.457 410 L HA 0.560 4.900 4.340 0.000 0.000 0.266 410 L C 0.182 177.086 176.870 0.057 0.000 0.979 410 L CA -0.027 54.818 54.840 0.007 0.000 0.857 410 L CB 1.462 43.566 42.059 0.075 0.000 1.213 410 L HN 1.160 nan 8.230 nan 0.000 0.418 411 T N -0.267 114.338 114.554 0.085 0.000 2.893 411 T HA 0.238 4.588 4.350 0.000 0.000 0.279 411 T C 1.380 176.130 174.700 0.082 0.000 0.991 411 T CA 0.156 62.318 62.100 0.104 0.000 0.950 411 T CB 1.349 70.318 68.868 0.167 0.000 1.223 411 T HN 0.579 nan 8.240 nan 0.000 0.585 412 S N -0.025 115.722 115.700 0.078 0.000 2.442 412 S HA -0.085 4.385 4.470 0.000 0.000 0.236 412 S C 0.775 175.375 174.600 0.001 0.000 1.007 412 S CA 1.416 59.650 58.200 0.056 0.000 0.965 412 S CB -0.770 62.463 63.200 0.055 0.000 0.773 412 S HN 0.927 nan 8.310 nan 0.000 0.504 413 D N -2.254 118.115 120.400 -0.052 0.000 2.497 413 D HA 0.223 4.864 4.640 0.000 0.000 0.256 413 D C -0.518 175.495 176.300 -0.478 0.000 1.273 413 D CA -0.438 53.426 54.000 -0.226 0.000 0.812 413 D CB -0.412 40.230 40.800 -0.263 0.000 1.190 413 D HN 0.499 nan 8.370 nan 0.000 0.524 414 Y N 0.272 120.510 120.300 -0.104 0.000 2.477 414 Y HA 0.545 5.095 4.550 0.000 0.000 0.347 414 Y C -0.967 174.741 175.900 -0.319 0.000 0.981 414 Y CA -1.305 56.641 58.100 -0.256 0.000 1.033 414 Y CB 2.696 40.938 38.460 -0.363 0.000 1.245 414 Y HN -0.078 nan 8.280 nan 0.000 0.455 415 L N 3.927 125.014 121.223 -0.227 0.000 2.333 415 L HA 0.583 4.923 4.340 0.000 0.000 0.280 415 L C -1.798 174.910 176.870 -0.269 0.000 1.004 415 L CA -0.552 54.126 54.840 -0.269 0.000 0.820 415 L CB 0.822 42.632 42.059 -0.415 0.000 1.247 415 L HN 0.591 nan 8.230 nan 0.000 0.416 416 Y N 4.677 124.902 120.300 -0.124 0.000 2.361 416 Y HA 0.577 5.127 4.550 0.000 0.000 0.332 416 Y C -0.443 175.467 175.900 0.016 0.000 1.101 416 Y CA -0.311 57.725 58.100 -0.107 0.000 1.137 416 Y CB 1.429 39.717 38.460 -0.287 0.000 1.207 416 Y HN 0.543 nan 8.280 nan 0.000 0.463 417 Y N 0.314 120.663 120.300 0.083 0.000 2.638 417 Y HA 0.749 5.299 4.550 0.000 0.000 0.335 417 Y C -1.863 174.104 175.900 0.112 0.000 1.155 417 Y CA -1.764 56.373 58.100 0.062 0.000 1.046 417 Y CB 1.072 39.544 38.460 0.020 0.000 1.303 417 Y HN 0.285 nan 8.280 nan 0.000 0.460 418 I N 3.222 123.903 120.570 0.184 0.000 2.392 418 I HA 0.577 4.747 4.170 0.000 0.000 0.295 418 I C -0.118 176.123 176.117 0.206 0.000 0.985 418 I CA -0.335 61.025 61.300 0.100 0.000 1.221 418 I CB 1.489 39.533 38.000 0.075 0.000 1.366 418 I HN 0.861 nan 8.210 nan 0.000 0.467 419 S N 3.995 119.767 115.700 0.121 0.000 2.618 419 S HA 0.441 4.911 4.470 0.000 0.000 0.277 419 S C -0.275 174.329 174.600 0.007 0.000 1.138 419 S CA -0.825 57.448 58.200 0.123 0.000 0.844 419 S CB 2.020 65.305 63.200 0.142 0.000 1.127 419 S HN 0.619 nan 8.310 nan 0.000 0.474 420 N N 0.044 118.761 118.700 0.029 0.000 2.451 420 N HA 0.130 4.870 4.740 0.000 0.000 0.264 420 N C 0.466 175.934 175.510 -0.071 0.000 1.167 420 N CA -0.317 52.716 53.050 -0.029 0.000 0.898 420 N CB 0.296 38.764 38.487 -0.032 0.000 1.176 420 N HN 0.845 nan 8.380 nan 0.000 0.507 421 E N -0.068 119.936 120.200 -0.325 0.000 2.028 421 E HA -0.163 4.188 4.350 0.000 0.000 0.190 421 E C -0.298 176.135 176.600 -0.280 0.000 0.984 421 E CA 0.073 56.038 56.400 -0.725 0.000 0.800 421 E CB -0.121 28.506 29.700 -1.788 0.000 0.758 421 E HN 0.343 nan 8.360 nan 0.000 0.448 422 Y N 1.809 122.001 120.300 -0.181 0.000 2.969 422 Y HA -0.177 4.373 4.550 0.000 0.000 0.339 422 Y C 0.608 176.471 175.900 -0.062 0.000 1.272 422 Y CA 0.947 59.009 58.100 -0.063 0.000 1.577 422 Y CB 0.246 38.703 38.460 -0.006 0.000 1.234 422 Y HN 0.162 nan 8.280 nan 0.000 0.590 423 K N 3.084 123.158 120.400 -0.545 0.000 3.445 423 K HA -0.241 4.079 4.320 0.000 0.000 0.316 423 K C 0.823 177.346 176.600 -0.130 0.000 1.278 423 K CA 1.577 57.623 56.287 -0.403 0.000 0.976 423 K CB -1.652 30.575 32.500 -0.455 0.000 1.238 423 K HN 1.484 nan 8.250 nan 0.000 0.430 424 G N 0.102 108.844 108.800 -0.097 0.000 2.179 424 G HA2 -0.346 3.614 3.960 0.000 0.000 0.257 424 G HA3 -0.346 3.614 3.960 0.000 0.000 0.257 424 G C -0.003 174.906 174.900 0.015 0.000 1.010 424 G CA 0.780 45.876 45.100 -0.007 0.000 0.736 424 G HN 0.478 nan 8.290 nan 0.000 0.513 425 M N -1.789 117.747 119.600 -0.106 0.000 2.101 425 M HA 0.566 5.046 4.480 0.000 0.000 0.340 425 M C -1.843 174.213 176.300 -0.406 0.000 1.057 425 M CA -2.320 52.750 55.300 -0.382 0.000 0.984 425 M CB 1.936 34.301 32.600 -0.391 0.000 1.560 425 M HN -0.145 nan 8.290 nan 0.000 0.435 426 P HA -0.011 nan 4.420 nan 0.000 0.219 426 P C 1.458 178.586 177.300 -0.287 0.000 1.150 426 P CA 1.301 64.218 63.100 -0.305 0.000 0.814 426 P CB 0.088 31.611 31.700 -0.294 0.000 0.787 427 G N -0.802 107.757 108.800 -0.402 0.000 2.848 427 G HA2 0.143 4.103 3.960 0.000 0.000 0.208 427 G HA3 0.143 4.103 3.960 0.000 0.000 0.208 427 G C 0.783 175.642 174.900 -0.068 0.000 1.152 427 G CA 0.232 45.226 45.100 -0.178 0.000 0.789 427 G HN 0.391 nan 8.290 nan 0.000 0.531 428 G N -0.704 107.999 108.800 -0.161 0.000 2.511 428 G HA2 0.604 4.565 3.960 0.000 0.000 0.316 428 G HA3 0.604 4.565 3.960 0.000 0.000 0.316 428 G C -0.784 173.953 174.900 -0.272 0.000 1.210 428 G CA -0.936 44.094 45.100 -0.116 0.000 0.969 428 G HN 0.265 nan 8.290 nan 0.000 0.492 429 R N 0.081 120.424 120.500 -0.263 0.000 2.658 429 R HA 0.294 4.634 4.340 0.000 0.000 0.287 429 R C -1.600 174.650 176.300 -0.084 0.000 1.209 429 R CA -0.490 55.398 56.100 -0.354 0.000 1.046 429 R CB 0.675 30.369 30.300 -1.011 0.000 1.247 429 R HN 0.566 nan 8.270 nan 0.000 0.405 430 N N 3.006 121.701 118.700 -0.008 0.000 2.242 430 N HA 0.352 5.093 4.740 0.000 0.000 0.292 430 N C -1.660 173.800 175.510 -0.084 0.000 1.125 430 N CA -0.742 52.289 53.050 -0.031 0.000 0.783 430 N CB 2.355 40.792 38.487 -0.083 0.000 1.558 430 N HN 0.397 nan 8.380 nan 0.000 0.472 431 L N 2.803 123.843 121.223 -0.304 0.000 2.313 431 L HA 0.385 4.726 4.340 0.000 0.000 0.282 431 L C -1.246 175.337 176.870 -0.478 0.000 1.092 431 L CA 0.184 54.838 54.840 -0.310 0.000 0.831 431 L CB -0.383 41.470 42.059 -0.343 0.000 1.159 431 L HN 0.393 nan 8.230 nan 0.000 0.442 432 Y N 4.031 123.972 120.300 -0.598 0.000 2.587 432 Y HA 0.613 5.163 4.550 0.000 0.000 0.337 432 Y C -0.209 175.375 175.900 -0.526 0.000 1.065 432 Y CA -0.736 56.975 58.100 -0.648 0.000 1.126 432 Y CB 1.605 39.474 38.460 -0.985 0.000 1.279 432 Y HN 0.552 nan 8.280 nan 0.000 0.489 433 K N 2.145 122.419 120.400 -0.210 0.000 2.422 433 K HA 0.746 5.066 4.320 0.000 0.000 0.251 433 K C -1.970 174.607 176.600 -0.038 0.000 0.933 433 K CA -0.734 55.380 56.287 -0.290 0.000 0.798 433 K CB 2.582 34.693 32.500 -0.649 0.000 1.238 433 K HN 0.769 nan 8.250 nan 0.000 0.428 434 I N 1.815 122.410 120.570 0.042 0.000 2.509 434 I HA 0.201 4.371 4.170 0.000 0.000 0.293 434 I C -0.889 175.307 176.117 0.131 0.000 1.020 434 I CA -0.809 60.571 61.300 0.134 0.000 1.088 434 I CB 2.176 40.246 38.000 0.116 0.000 1.267 434 I HN 0.864 nan 8.210 nan 0.000 0.430 435 Q N 5.103 124.968 119.800 0.108 0.000 2.296 435 Q HA 0.121 4.462 4.340 0.000 0.000 0.263 435 Q C 0.198 176.140 176.000 -0.096 0.000 1.026 435 Q CA -0.474 55.230 55.803 -0.165 0.000 0.912 435 Q CB 1.207 29.888 28.738 -0.095 0.000 1.198 435 Q HN 0.754 nan 8.270 nan 0.000 0.407 436 L N 2.847 123.942 121.223 -0.214 0.000 2.083 436 L HA -0.174 4.167 4.340 0.000 0.000 0.209 436 L C 2.157 178.986 176.870 -0.069 0.000 1.083 436 L CA 1.946 56.754 54.840 -0.054 0.000 0.752 436 L CB -0.805 41.186 42.059 -0.112 0.000 0.899 436 L HN 0.766 nan 8.230 nan 0.000 0.433 437 S N -2.354 113.244 115.700 -0.170 0.000 2.561 437 S HA 0.010 4.480 4.470 0.000 0.000 0.225 437 S C 0.414 174.887 174.600 -0.213 0.000 0.977 437 S CA 0.201 58.290 58.200 -0.186 0.000 0.926 437 S CB -0.055 63.050 63.200 -0.158 0.000 0.769 437 S HN 0.409 nan 8.310 nan 0.000 0.533 438 D N -0.385 119.911 120.400 -0.174 0.000 2.333 438 D HA 0.213 4.854 4.640 0.000 0.000 0.225 438 D C -0.550 175.769 176.300 0.032 0.000 1.345 438 D CA -0.550 53.368 54.000 -0.136 0.000 0.971 438 D CB 0.216 40.971 40.800 -0.076 0.000 1.451 438 D HN -0.073 nan 8.370 nan 0.000 0.561 439 Y N 1.075 121.350 120.300 -0.042 0.000 2.574 439 Y HA -0.043 4.507 4.550 0.000 0.000 0.294 439 Y C 2.416 178.319 175.900 0.006 0.000 1.142 439 Y CA 1.315 59.401 58.100 -0.024 0.000 1.314 439 Y CB -0.769 37.676 38.460 -0.024 0.000 0.991 439 Y HN 0.415 nan 8.280 nan 0.000 0.555 440 T N -3.094 111.544 114.554 0.140 0.000 3.067 440 T HA 0.009 4.359 4.350 0.000 0.000 0.257 440 T C 0.813 175.569 174.700 0.094 0.000 1.105 440 T CA 0.109 62.269 62.100 0.099 0.000 1.104 440 T CB -0.004 68.899 68.868 0.058 0.000 0.925 440 T HN -0.062 nan 8.240 nan 0.000 0.498 441 K N 2.932 123.389 120.400 0.094 0.000 2.142 441 K HA 0.382 4.702 4.320 0.000 0.000 0.250 441 K C -0.924 175.750 176.600 0.124 0.000 1.148 441 K CA -0.107 56.237 56.287 0.094 0.000 1.040 441 K CB 0.542 33.091 32.500 0.082 0.000 1.569 441 K HN 0.222 nan 8.250 nan 0.000 0.361 442 V N 2.491 122.479 119.914 0.123 0.000 2.334 442 V HA 0.181 4.301 4.120 0.000 0.000 0.281 442 V C 0.218 176.376 176.094 0.105 0.000 1.016 442 V CA -0.717 61.673 62.300 0.151 0.000 0.832 442 V CB 1.376 33.323 31.823 0.207 0.000 0.999 442 V HN 0.459 nan 8.190 nan 0.000 0.439 443 T N 3.466 118.042 114.554 0.037 0.000 2.829 443 T HA 0.241 4.592 4.350 0.000 0.000 0.282 443 T C -0.154 174.426 174.700 -0.200 0.000 0.990 443 T CA -0.275 61.785 62.100 -0.068 0.000 1.028 443 T CB 1.325 70.129 68.868 -0.107 0.000 0.951 443 T HN 0.754 nan 8.240 nan 0.000 0.460 444 C N 5.254 124.345 119.300 -0.349 0.000 2.256 444 C HA 0.393 4.853 4.460 0.000 0.000 0.333 444 C C 1.379 176.012 174.990 -0.596 0.000 1.183 444 C CA -0.691 57.854 59.018 -0.787 0.000 1.692 444 C CB -2.014 25.157 27.740 -0.948 0.000 2.274 444 C HN 0.864 nan 8.230 nan 0.000 0.509 445 L N 4.890 125.766 121.223 -0.578 0.000 2.552 445 L HA 0.083 4.423 4.340 0.000 0.000 0.227 445 L C 2.182 178.753 176.870 -0.499 0.000 1.146 445 L CA 1.573 56.157 54.840 -0.427 0.000 0.858 445 L CB -0.190 41.657 42.059 -0.354 0.000 0.969 445 L HN 0.919 nan 8.230 nan 0.000 0.451 446 S N -5.184 110.121 115.700 -0.658 0.000 2.648 446 S HA -0.006 4.464 4.470 0.000 0.000 0.270 446 S C 1.838 176.069 174.600 -0.615 0.000 1.080 446 S CA 0.157 57.884 58.200 -0.788 0.000 1.159 446 S CB -0.624 61.739 63.200 -1.394 0.000 1.091 446 S HN 0.236 nan 8.310 nan 0.000 0.605 447 C N 2.767 121.662 119.300 -0.675 0.000 2.393 447 C HA -0.026 4.434 4.460 0.000 0.000 0.276 447 C C 2.665 177.358 174.990 -0.494 0.000 1.215 447 C CA 1.298 59.819 59.018 -0.827 0.000 1.743 447 C CB -0.957 25.954 27.740 -1.381 0.000 2.044 447 C HN 0.580 nan 8.230 nan 0.000 0.464 448 E N 0.604 120.586 120.200 -0.364 0.000 2.371 448 E HA 0.062 4.412 4.350 0.000 0.000 0.194 448 E C 2.108 178.653 176.600 -0.092 0.000 1.012 448 E CA 0.302 56.598 56.400 -0.174 0.000 0.860 448 E CB -0.443 29.172 29.700 -0.142 0.000 0.811 448 E HN 0.651 nan 8.360 nan 0.000 0.502 449 L N 0.468 121.629 121.223 -0.103 0.000 2.263 449 L HA -0.134 4.206 4.340 0.000 0.000 0.216 449 L C 0.796 177.681 176.870 0.025 0.000 1.111 449 L CA 0.969 55.793 54.840 -0.026 0.000 0.773 449 L CB -0.250 41.803 42.059 -0.010 0.000 0.906 449 L HN 0.112 nan 8.230 nan 0.000 0.439 450 N N -1.988 116.737 118.700 0.041 0.000 3.906 450 N HA 0.036 4.777 4.740 0.000 0.000 0.132 450 N C -2.280 173.263 175.510 0.056 0.000 1.338 450 N CA -0.522 52.554 53.050 0.044 0.000 1.425 450 N CB 0.286 38.800 38.487 0.045 0.000 1.713 450 N HN -0.230 nan 8.380 nan 0.000 0.721 451 P HA -0.017 nan 4.420 nan 0.000 0.220 451 P C 1.006 178.356 177.300 0.084 0.000 1.148 451 P CA 0.998 64.161 63.100 0.106 0.000 0.803 451 P CB 0.552 32.334 31.700 0.136 0.000 0.782 452 E N -0.764 119.466 120.200 0.050 0.000 2.106 452 E HA -0.138 4.212 4.350 0.000 0.000 0.192 452 E C 2.171 178.777 176.600 0.011 0.000 0.984 452 E CA 0.751 57.169 56.400 0.030 0.000 0.806 452 E CB -0.083 29.627 29.700 0.017 0.000 0.750 452 E HN 0.133 nan 8.360 nan 0.000 0.458 453 R N -0.655 119.841 120.500 -0.005 0.000 2.237 453 R HA 0.117 4.457 4.340 0.000 0.000 0.195 453 R C -0.277 175.979 176.300 -0.073 0.000 0.956 453 R CA 0.253 56.326 56.100 -0.044 0.000 1.029 453 R CB 0.627 30.893 30.300 -0.058 0.000 0.972 453 R HN 0.046 nan 8.270 nan 0.000 0.493 454 c N 0.879 119.446 118.600 -0.056 0.000 2.383 454 c HA 0.397 4.967 4.570 0.000 0.000 0.330 454 c C 0.013 174.067 174.090 -0.060 0.000 1.168 454 c CA -0.659 55.571 56.329 -0.164 0.000 1.374 454 c CB 1.400 43.801 42.510 -0.181 0.000 2.014 454 c HN 0.495 nan 8.230 nan 0.000 0.439 455 Q N 0.508 120.266 119.800 -0.069 0.000 2.081 455 Q HA 0.191 4.532 4.340 0.000 0.000 0.220 455 Q C -0.875 175.160 176.000 0.058 0.000 0.775 455 Q CA 0.026 55.872 55.803 0.072 0.000 0.983 455 Q CB 1.347 30.154 28.738 0.115 0.000 1.188 455 Q HN 0.762 nan 8.270 nan 0.000 0.458 456 Y N 0.627 120.797 120.300 -0.218 0.000 2.402 456 Y HA 0.391 4.941 4.550 0.000 0.000 0.325 456 Y C -1.529 174.207 175.900 -0.274 0.000 1.009 456 Y CA -1.163 56.841 58.100 -0.160 0.000 1.278 456 Y CB 0.657 39.039 38.460 -0.130 0.000 1.105 456 Y HN -0.065 nan 8.280 nan 0.000 0.476 457 Y N 2.084 122.356 120.300 -0.047 0.000 2.487 457 Y HA 0.661 5.212 4.550 0.000 0.000 0.337 457 Y C 0.273 176.155 175.900 -0.029 0.000 1.076 457 Y CA -0.551 57.526 58.100 -0.039 0.000 1.115 457 Y CB 2.147 40.545 38.460 -0.103 0.000 1.235 457 Y HN 0.509 nan 8.280 nan 0.000 0.468 458 S N 0.655 116.464 115.700 0.183 0.000 2.667 458 S HA 0.857 5.327 4.470 0.000 0.000 0.292 458 S C -1.504 173.170 174.600 0.123 0.000 1.126 458 S CA -0.869 57.414 58.200 0.138 0.000 0.881 458 S CB 1.941 65.228 63.200 0.146 0.000 1.132 458 S HN 0.540 nan 8.310 nan 0.000 0.492 459 V N 0.468 120.450 119.914 0.114 0.000 2.925 459 V HA 0.834 4.955 4.120 0.000 0.000 0.311 459 V C -1.152 175.024 176.094 0.136 0.000 1.104 459 V CA -0.322 62.016 62.300 0.063 0.000 0.954 459 V CB 2.314 34.098 31.823 -0.065 0.000 1.022 459 V HN 1.143 nan 8.190 nan 0.000 0.427 460 S N 5.552 121.329 115.700 0.129 0.000 2.733 460 S HA 0.645 5.115 4.470 0.000 0.000 0.307 460 S C -0.986 173.793 174.600 0.298 0.000 1.127 460 S CA -0.408 57.969 58.200 0.295 0.000 1.097 460 S CB 0.261 63.678 63.200 0.363 0.000 1.003 460 S HN 0.478 nan 8.310 nan 0.000 0.477 461 F N 2.960 122.969 119.950 0.097 0.000 2.380 461 F HA 0.428 4.956 4.527 0.000 0.000 0.325 461 F C 1.484 176.801 175.800 -0.805 0.000 1.136 461 F CA -0.117 57.766 58.000 -0.195 0.000 1.171 461 F CB 1.081 39.948 39.000 -0.221 0.000 1.230 461 F HN 0.640 nan 8.300 nan 0.000 0.554 462 S N 1.372 116.447 115.700 -1.042 0.000 2.634 462 S HA 0.194 4.664 4.470 0.000 0.000 0.261 462 S C 1.126 175.444 174.600 -0.471 0.000 1.271 462 S CA -0.779 56.551 58.200 -1.451 0.000 0.985 462 S CB 0.910 63.355 63.200 -1.259 0.000 0.968 462 S HN 0.571 nan 8.310 nan 0.000 0.568 463 K N 0.681 120.931 120.400 -0.250 0.000 2.218 463 K HA -0.090 4.230 4.320 0.000 0.000 0.205 463 K C 0.794 177.361 176.600 -0.055 0.000 1.046 463 K CA 1.465 57.714 56.287 -0.063 0.000 0.933 463 K CB -0.217 32.292 32.500 0.016 0.000 0.728 463 K HN 0.708 nan 8.250 nan 0.000 0.454 464 E N -1.349 118.793 120.200 -0.096 0.000 2.660 464 E HA 0.178 4.528 4.350 0.000 0.000 0.216 464 E C -0.134 176.428 176.600 -0.064 0.000 0.986 464 E CA 0.149 56.517 56.400 -0.053 0.000 1.037 464 E CB 0.942 30.621 29.700 -0.035 0.000 1.041 464 E HN 0.176 nan 8.360 nan 0.000 0.480 465 A N 1.839 124.606 122.820 -0.088 0.000 2.930 465 A HA -0.275 4.045 4.320 0.000 0.000 0.273 465 A C 1.300 178.866 177.584 -0.030 0.000 1.435 465 A CA 1.420 53.455 52.037 -0.002 0.000 0.780 465 A CB -2.163 16.754 19.000 -0.137 0.000 1.034 465 A HN 0.218 nan 8.150 nan 0.000 0.562 466 K N -1.791 118.521 120.400 -0.145 0.000 2.167 466 K HA 0.136 4.456 4.320 0.000 0.000 0.203 466 K C 0.080 176.337 176.600 -0.571 0.000 1.052 466 K CA 1.385 57.466 56.287 -0.343 0.000 0.956 466 K CB 0.046 32.307 32.500 -0.398 0.000 0.735 466 K HN 0.705 nan 8.250 nan 0.000 0.451 467 Y N -1.159 119.080 120.300 -0.101 0.000 2.609 467 Y HA 0.320 4.870 4.550 0.000 0.000 0.342 467 Y C -0.907 174.917 175.900 -0.126 0.000 1.058 467 Y CA -1.382 56.657 58.100 -0.101 0.000 1.055 467 Y CB 1.648 40.091 38.460 -0.029 0.000 1.292 467 Y HN -0.052 nan 8.280 nan 0.000 0.476 468 Y N -1.226 119.050 120.300 -0.040 0.000 2.552 468 Y HA 0.517 5.067 4.550 0.000 0.000 0.337 468 Y C -1.392 174.513 175.900 0.009 0.000 1.094 468 Y CA -1.448 56.468 58.100 -0.308 0.000 1.028 468 Y CB 1.568 39.287 38.460 -1.236 0.000 1.321 468 Y HN 0.581 nan 8.280 nan 0.000 0.456 469 Q N 3.766 123.683 119.800 0.196 0.000 2.325 469 Q HA 0.537 4.877 4.340 0.000 0.000 0.262 469 Q C -1.738 174.337 176.000 0.126 0.000 0.968 469 Q CA -0.668 55.224 55.803 0.148 0.000 0.877 469 Q CB 1.291 30.096 28.738 0.111 0.000 1.253 469 Q HN 0.953 nan 8.270 nan 0.000 0.448 470 L N 3.742 125.047 121.223 0.136 0.000 2.312 470 L HA 0.472 4.812 4.340 0.000 0.000 0.281 470 L C -0.266 176.668 176.870 0.107 0.000 1.070 470 L CA -0.558 54.359 54.840 0.129 0.000 0.805 470 L CB 1.099 43.226 42.059 0.114 0.000 1.174 470 L HN 0.539 nan 8.230 nan 0.000 0.434 471 R N 1.942 122.480 120.500 0.063 0.000 2.337 471 R HA 0.295 4.636 4.340 0.000 0.000 0.319 471 R C -0.950 175.230 176.300 -0.200 0.000 0.954 471 R CA -0.250 55.723 56.100 -0.212 0.000 0.840 471 R CB 1.304 31.497 30.300 -0.178 0.000 1.164 471 R HN 0.591 nan 8.270 nan 0.000 0.472 472 c N 2.757 121.131 118.600 -0.376 0.000 2.347 472 c HA 0.519 5.089 4.570 0.000 0.000 0.353 472 c C 1.033 174.887 174.090 -0.393 0.000 1.273 472 c CA -0.213 55.772 56.329 -0.572 0.000 1.861 472 c CB -0.016 42.135 42.510 -0.598 0.000 2.420 472 c HN 0.973 nan 8.230 nan 0.000 0.542 473 S N 3.494 119.034 115.700 -0.267 0.000 2.819 473 S HA 0.610 5.081 4.470 0.000 0.000 0.249 473 S C 0.221 174.756 174.600 -0.109 0.000 1.030 473 S CA 0.194 58.296 58.200 -0.164 0.000 1.052 473 S CB 0.136 63.262 63.200 -0.123 0.000 1.017 473 S HN 1.828 nan 8.310 nan 0.000 0.576 474 G N 1.797 110.528 108.800 -0.116 0.000 2.340 474 G HA2 0.447 4.407 3.960 0.000 0.000 0.298 474 G HA3 0.447 4.407 3.960 0.000 0.000 0.298 474 G C -3.206 171.666 174.900 -0.046 0.000 1.498 474 G CA -0.724 44.352 45.100 -0.040 0.000 0.847 474 G HN -0.124 nan 8.290 nan 0.000 0.594 475 P HA 0.176 nan 4.420 nan 0.000 0.249 475 P C 1.247 178.567 177.300 0.033 0.000 1.229 475 P CA 0.940 64.065 63.100 0.042 0.000 0.788 475 P CB 0.535 32.260 31.700 0.042 0.000 1.072 476 G N 0.406 109.159 108.800 -0.079 0.000 2.563 476 G HA2 0.394 4.355 3.960 0.000 0.000 0.283 476 G HA3 0.394 4.355 3.960 0.000 0.000 0.283 476 G C -0.255 174.407 174.900 -0.397 0.000 1.309 476 G CA -0.724 44.258 45.100 -0.196 0.000 1.022 476 G HN 0.034 nan 8.290 nan 0.000 0.501 477 L N 1.085 121.986 121.223 -0.537 0.000 2.485 477 L HA 0.152 4.492 4.340 0.000 0.000 0.275 477 L C -1.834 174.864 176.870 -0.286 0.000 1.207 477 L CA -1.292 53.193 54.840 -0.593 0.000 0.855 477 L CB 0.507 42.299 42.059 -0.446 0.000 1.114 477 L HN 0.249 nan 8.230 nan 0.000 0.485 478 P HA 0.051 nan 4.420 nan 0.000 0.266 478 P C -0.885 176.354 177.300 -0.103 0.000 1.193 478 P CA -0.032 62.978 63.100 -0.148 0.000 0.770 478 P CB 0.566 32.254 31.700 -0.020 0.000 0.836 479 L N 4.358 125.443 121.223 -0.230 0.000 2.491 479 L HA 0.430 4.770 4.340 0.000 0.000 0.267 479 L C -1.808 174.969 176.870 -0.156 0.000 0.971 479 L CA -0.588 54.197 54.840 -0.092 0.000 0.857 479 L CB 0.698 42.705 42.059 -0.087 0.000 1.226 479 L HN 0.187 nan 8.230 nan 0.000 0.408 480 Y N 2.678 122.941 120.300 -0.062 0.000 2.330 480 Y HA 0.784 5.334 4.550 0.000 0.000 0.336 480 Y C 0.737 176.546 175.900 -0.152 0.000 1.036 480 Y CA -0.501 57.549 58.100 -0.084 0.000 1.125 480 Y CB 1.948 40.335 38.460 -0.122 0.000 1.194 480 Y HN 0.663 nan 8.280 nan 0.000 0.469 481 T N 1.242 115.818 114.554 0.035 0.000 2.883 481 T HA 0.660 5.010 4.350 0.000 0.000 0.296 481 T C -1.444 173.218 174.700 -0.062 0.000 1.117 481 T CA -0.937 61.127 62.100 -0.059 0.000 1.006 481 T CB 1.804 70.671 68.868 -0.001 0.000 1.191 481 T HN 0.486 nan 8.240 nan 0.000 0.508 482 L N 1.214 122.303 121.223 -0.223 0.000 2.330 482 L HA 0.706 5.046 4.340 0.000 0.000 0.271 482 L C -1.160 175.444 176.870 -0.443 0.000 1.013 482 L CA -0.552 54.188 54.840 -0.168 0.000 0.816 482 L CB 1.734 43.716 42.059 -0.128 0.000 1.287 482 L HN 0.973 nan 8.230 nan 0.000 0.435 483 H N -0.184 118.679 119.070 -0.344 0.000 3.012 483 H HA 0.363 4.919 4.556 0.000 0.000 0.367 483 H C -0.512 174.593 175.328 -0.371 0.000 1.211 483 H CA -0.644 55.098 56.048 -0.509 0.000 1.139 483 H CB 1.922 31.003 29.762 -1.134 0.000 1.838 483 H HN 0.478 nan 8.280 nan 0.000 0.550 484 S N 0.353 116.001 115.700 -0.087 0.000 2.462 484 S HA 0.284 4.754 4.470 0.000 0.000 0.294 484 S C 0.376 174.926 174.600 -0.083 0.000 1.144 484 S CA -0.533 57.590 58.200 -0.128 0.000 1.088 484 S CB 1.551 64.688 63.200 -0.106 0.000 1.009 484 S HN 0.582 nan 8.310 nan 0.000 0.484 485 S N 2.679 118.353 115.700 -0.043 0.000 2.406 485 S HA -0.106 4.364 4.470 0.000 0.000 0.228 485 S C 1.959 176.596 174.600 0.061 0.000 1.020 485 S CA 0.780 59.075 58.200 0.159 0.000 0.965 485 S CB -0.623 62.675 63.200 0.164 0.000 0.798 485 S HN 0.785 nan 8.310 nan 0.000 0.488 486 V N 4.089 123.988 119.914 -0.024 0.000 2.313 486 V HA -0.282 3.838 4.120 0.000 0.000 0.253 486 V C 1.238 177.342 176.094 0.016 0.000 1.070 486 V CA 2.523 64.821 62.300 -0.003 0.000 1.057 486 V CB -0.614 31.189 31.823 -0.033 0.000 0.653 486 V HN 0.868 nan 8.190 nan 0.000 0.450 487 N N -3.420 115.287 118.700 0.011 0.000 2.118 487 N HA 0.088 4.828 4.740 0.000 0.000 0.226 487 N C -0.202 175.319 175.510 0.019 0.000 1.305 487 N CA 0.347 53.405 53.050 0.014 0.000 0.890 487 N CB 0.650 39.144 38.487 0.012 0.000 1.118 487 N HN 0.343 nan 8.380 nan 0.000 0.511 488 D N 1.108 121.536 120.400 0.047 0.000 2.870 488 D HA -0.160 4.480 4.640 0.000 0.000 0.228 488 D C -0.332 176.012 176.300 0.072 0.000 1.147 488 D CA 1.119 55.175 54.000 0.093 0.000 0.757 488 D CB -0.819 40.021 40.800 0.066 0.000 1.091 488 D HN 0.528 nan 8.370 nan 0.000 0.429 489 K N 0.683 121.100 120.400 0.030 0.000 2.322 489 K HA 0.389 4.709 4.320 0.000 0.000 0.283 489 K C 0.694 177.266 176.600 -0.046 0.000 1.042 489 K CA 0.011 56.299 56.287 0.001 0.000 0.958 489 K CB 0.832 33.326 32.500 -0.010 0.000 0.984 489 K HN 0.070 nan 8.250 nan 0.000 0.473 490 G N 5.009 113.755 108.800 -0.091 0.000 2.367 490 G HA2 0.135 4.095 3.960 0.000 0.000 0.280 490 G HA3 0.135 4.095 3.960 0.000 0.000 0.280 490 G C 0.614 175.347 174.900 -0.279 0.000 1.175 490 G CA -0.421 44.463 45.100 -0.360 0.000 1.001 490 G HN 0.722 nan 8.290 nan 0.000 0.437 491 L N 2.055 123.089 121.223 -0.315 0.000 2.034 491 L HA 0.234 4.574 4.340 0.000 0.000 0.203 491 L C 1.754 178.530 176.870 -0.156 0.000 1.074 491 L CA 1.062 55.802 54.840 -0.166 0.000 0.748 491 L CB -0.276 41.721 42.059 -0.103 0.000 0.905 491 L HN 0.717 nan 8.230 nan 0.000 0.439 492 R N -1.857 118.521 120.500 -0.203 0.000 2.747 492 R HA 0.476 4.816 4.340 0.000 0.000 0.272 492 R C -1.575 174.611 176.300 -0.190 0.000 1.032 492 R CA -0.896 55.109 56.100 -0.160 0.000 0.896 492 R CB 1.647 31.884 30.300 -0.105 0.000 1.253 492 R HN -0.273 nan 8.270 nan 0.000 0.461 493 V N 2.730 122.555 119.914 -0.149 0.000 2.385 493 V HA 0.170 4.290 4.120 0.000 0.000 0.269 493 V C 1.248 177.218 176.094 -0.208 0.000 1.043 493 V CA -0.354 61.857 62.300 -0.148 0.000 0.906 493 V CB 1.090 32.857 31.823 -0.093 0.000 0.995 493 V HN 0.637 nan 8.190 nan 0.000 0.467 494 L N 2.988 124.019 121.223 -0.319 0.000 2.162 494 L HA 0.218 4.559 4.340 0.000 0.000 0.205 494 L C 0.811 177.380 176.870 -0.502 0.000 1.086 494 L CA 0.885 55.344 54.840 -0.635 0.000 0.778 494 L CB 0.183 41.547 42.059 -1.158 0.000 0.928 494 L HN 0.684 nan 8.230 nan 0.000 0.446 495 E N -0.632 119.428 120.200 -0.233 0.000 2.378 495 E HA 0.128 4.478 4.350 0.000 0.000 0.283 495 E C -1.391 175.245 176.600 0.059 0.000 0.979 495 E CA -0.357 56.007 56.400 -0.061 0.000 0.795 495 E CB 1.309 30.966 29.700 -0.072 0.000 1.221 495 E HN 0.123 nan 8.360 nan 0.000 0.428 496 D N 2.628 123.053 120.400 0.043 0.000 2.530 496 D HA 0.121 4.761 4.640 0.000 0.000 0.253 496 D C -0.332 175.980 176.300 0.019 0.000 1.338 496 D CA -0.193 53.825 54.000 0.030 0.000 0.806 496 D CB -0.143 40.654 40.800 -0.005 0.000 1.160 496 D HN 0.456 nan 8.370 nan 0.000 0.514 497 N N 0.810 119.534 118.700 0.041 0.000 2.708 497 N HA -0.216 4.524 4.740 0.000 0.000 0.251 497 N C 1.144 176.661 175.510 0.011 0.000 1.123 497 N CA 1.105 54.174 53.050 0.032 0.000 0.739 497 N CB -1.650 36.849 38.487 0.020 0.000 1.113 497 N HN 0.494 nan 8.380 nan 0.000 0.561 498 S N -0.974 114.731 115.700 0.009 0.000 2.400 498 S HA -0.053 4.417 4.470 0.000 0.000 0.232 498 S C 2.133 176.746 174.600 0.023 0.000 1.025 498 S CA 1.088 59.291 58.200 0.006 0.000 0.993 498 S CB -0.219 62.984 63.200 0.004 0.000 0.808 498 S HN 0.553 nan 8.310 nan 0.000 0.478 499 A N 2.310 125.152 122.820 0.035 0.000 1.859 499 A HA -0.074 4.246 4.320 0.000 0.000 0.217 499 A C 2.255 179.880 177.584 0.068 0.000 1.198 499 A CA 1.874 53.941 52.037 0.050 0.000 0.629 499 A CB -1.062 17.970 19.000 0.055 0.000 0.830 499 A HN 0.519 nan 8.150 nan 0.000 0.446 500 L N -0.158 121.109 121.223 0.074 0.000 2.046 500 L HA -0.155 4.185 4.340 0.000 0.000 0.208 500 L C 2.048 178.958 176.870 0.068 0.000 1.077 500 L CA 2.590 57.491 54.840 0.103 0.000 0.747 500 L CB -0.592 41.529 42.059 0.102 0.000 0.896 500 L HN 0.453 nan 8.230 nan 0.000 0.432 501 D N -0.518 119.892 120.400 0.017 0.000 2.133 501 D HA -0.221 4.419 4.640 0.000 0.000 0.195 501 D C 1.999 178.309 176.300 0.017 0.000 0.997 501 D CA 1.026 55.020 54.000 -0.010 0.000 0.840 501 D CB 0.136 40.919 40.800 -0.029 0.000 0.947 501 D HN 0.184 nan 8.370 nan 0.000 0.452 502 K N 0.130 120.552 120.400 0.036 0.000 1.977 502 K HA -0.127 4.193 4.320 0.000 0.000 0.218 502 K C 2.393 179.037 176.600 0.073 0.000 1.051 502 K CA 0.994 57.310 56.287 0.048 0.000 0.953 502 K CB -0.958 31.573 32.500 0.052 0.000 0.727 502 K HN 0.323 nan 8.250 nan 0.000 0.445 503 M N 0.661 120.330 119.600 0.116 0.000 2.195 503 M HA -0.182 4.299 4.480 0.000 0.000 0.260 503 M C 2.161 178.554 176.300 0.156 0.000 1.066 503 M CA 1.345 56.760 55.300 0.192 0.000 1.089 503 M CB -0.300 32.490 32.600 0.317 0.000 1.377 503 M HN 0.067 nan 8.290 nan 0.000 0.411 504 L N -0.080 121.182 121.223 0.064 0.000 2.313 504 L HA -0.159 4.181 4.340 0.000 0.000 0.214 504 L C 2.605 179.459 176.870 -0.026 0.000 1.119 504 L CA 0.752 55.567 54.840 -0.043 0.000 0.809 504 L CB -0.429 41.596 42.059 -0.056 0.000 0.933 504 L HN 0.459 nan 8.230 nan 0.000 0.449 505 Q N -1.335 118.469 119.800 0.008 0.000 2.435 505 Q HA -0.108 4.232 4.340 0.000 0.000 0.207 505 Q C 1.196 177.215 176.000 0.031 0.000 0.956 505 Q CA 0.626 56.437 55.803 0.012 0.000 0.917 505 Q CB -0.330 28.417 28.738 0.016 0.000 0.997 505 Q HN 0.376 nan 8.270 nan 0.000 0.497 506 N N 1.243 119.974 118.700 0.051 0.000 2.550 506 N HA -0.004 4.736 4.740 0.000 0.000 0.186 506 N C -0.211 175.344 175.510 0.075 0.000 1.110 506 N CA 0.326 53.420 53.050 0.074 0.000 0.912 506 N CB 0.725 39.279 38.487 0.111 0.000 0.968 506 N HN 0.204 nan 8.380 nan 0.000 0.448 507 V N 0.542 120.478 119.914 0.037 0.000 2.735 507 V HA 0.274 4.395 4.120 0.000 0.000 0.310 507 V C -0.821 175.270 176.094 -0.005 0.000 1.061 507 V CA -0.842 61.476 62.300 0.030 0.000 0.913 507 V CB 2.013 33.840 31.823 0.006 0.000 1.005 507 V HN -0.003 nan 8.190 nan 0.000 0.428 508 Q N 6.404 126.208 119.800 0.006 0.000 2.613 508 Q HA 0.249 4.589 4.340 0.000 0.000 0.228 508 Q C -0.179 175.774 176.000 -0.079 0.000 1.318 508 Q CA -0.133 55.639 55.803 -0.053 0.000 0.907 508 Q CB 0.193 28.900 28.738 -0.052 0.000 1.593 508 Q HN 0.625 nan 8.270 nan 0.000 0.559 509 M N 2.634 122.177 119.600 -0.095 0.000 2.226 509 M HA 0.270 4.750 4.480 0.000 0.000 0.324 509 M C -2.036 174.183 176.300 -0.134 0.000 1.112 509 M CA -2.254 52.975 55.300 -0.117 0.000 1.176 509 M CB -0.578 31.958 32.600 -0.106 0.000 1.430 509 M HN 0.256 nan 8.290 nan 0.000 0.462 510 P HA 0.353 nan 4.420 nan 0.000 0.280 510 P C -0.968 176.247 177.300 -0.140 0.000 1.272 510 P CA -0.574 62.432 63.100 -0.157 0.000 0.819 510 P CB 0.662 32.254 31.700 -0.179 0.000 1.122 511 S N -0.986 114.624 115.700 -0.150 0.000 2.648 511 S HA 0.631 5.102 4.470 0.000 0.000 0.305 511 S C -0.675 173.835 174.600 -0.151 0.000 1.094 511 S CA -0.819 57.308 58.200 -0.122 0.000 0.983 511 S CB 1.522 64.662 63.200 -0.101 0.000 1.101 511 S HN 0.428 nan 8.310 nan 0.000 0.514 512 K N 0.846 121.180 120.400 -0.109 0.000 2.413 512 K HA 0.354 4.674 4.320 0.000 0.000 0.257 512 K C -1.182 175.364 176.600 -0.091 0.000 0.946 512 K CA -0.492 55.731 56.287 -0.107 0.000 0.823 512 K CB 1.172 33.627 32.500 -0.075 0.000 1.109 512 K HN 0.677 nan 8.250 nan 0.000 0.427 513 K N 5.595 125.927 120.400 -0.115 0.000 2.185 513 K HA 0.295 4.615 4.320 0.000 0.000 0.269 513 K C -1.177 175.363 176.600 -0.099 0.000 0.987 513 K CA -0.619 55.609 56.287 -0.098 0.000 0.865 513 K CB 0.960 33.394 32.500 -0.111 0.000 1.090 513 K HN 0.585 nan 8.250 nan 0.000 0.450 514 L N 4.429 125.613 121.223 -0.064 0.000 2.298 514 L HA 0.360 4.701 4.340 0.000 0.000 0.284 514 L C -1.111 175.739 176.870 -0.034 0.000 1.013 514 L CA -0.117 54.713 54.840 -0.017 0.000 0.824 514 L CB 1.235 43.353 42.059 0.099 0.000 1.221 514 L HN 0.831 nan 8.230 nan 0.000 0.418 515 D N 2.921 123.125 120.400 -0.327 0.000 2.895 515 D HA 0.561 5.201 4.640 0.000 0.000 0.320 515 D C -1.356 174.649 176.300 -0.491 0.000 1.249 515 D CA -0.042 53.702 54.000 -0.425 0.000 0.997 515 D CB 1.805 42.309 40.800 -0.493 0.000 1.430 515 D HN 0.243 nan 8.370 nan 0.000 0.558 516 F N -0.464 119.229 119.950 -0.429 0.000 2.650 516 F HA 0.754 5.281 4.527 0.000 0.000 0.320 516 F C -0.707 175.212 175.800 0.199 0.000 1.091 516 F CA -1.111 56.730 58.000 -0.265 0.000 0.962 516 F CB 0.848 39.177 39.000 -1.119 0.000 1.363 516 F HN 0.339 nan 8.300 nan 0.000 0.482 517 I N -0.485 120.416 120.570 0.550 0.000 3.170 517 I HA 0.724 4.894 4.170 0.000 0.000 0.312 517 I C -1.437 174.938 176.117 0.429 0.000 1.085 517 I CA -1.337 60.198 61.300 0.391 0.000 0.999 517 I CB 2.491 40.641 38.000 0.251 0.000 1.233 517 I HN 0.634 nan 8.210 nan 0.000 0.467 518 I N 3.317 124.065 120.570 0.297 0.000 2.389 518 I HA 0.455 4.626 4.170 0.000 0.000 0.288 518 I C -1.001 175.252 176.117 0.227 0.000 0.999 518 I CA -0.480 60.965 61.300 0.241 0.000 1.129 518 I CB 1.735 39.837 38.000 0.171 0.000 1.288 518 I HN 0.378 nan 8.210 nan 0.000 0.444 519 L N 6.096 127.512 121.223 0.322 0.000 2.386 519 L HA 0.501 4.841 4.340 0.000 0.000 0.271 519 L C -0.291 176.721 176.870 0.236 0.000 0.993 519 L CA -1.029 53.965 54.840 0.257 0.000 0.819 519 L CB 1.550 43.764 42.059 0.259 0.000 1.294 519 L HN 0.541 nan 8.230 nan 0.000 0.414 520 N N 1.855 120.633 118.700 0.129 0.000 2.678 520 N HA -0.225 4.515 4.740 0.000 0.000 0.268 520 N C -0.120 175.427 175.510 0.062 0.000 1.010 520 N CA 1.024 54.124 53.050 0.084 0.000 0.784 520 N CB -1.051 37.482 38.487 0.077 0.000 0.905 520 N HN 0.781 nan 8.380 nan 0.000 0.552 521 E N -2.698 117.532 120.200 0.049 0.000 2.170 521 E HA -0.280 4.070 4.350 0.000 0.000 0.214 521 E C 0.193 176.775 176.600 -0.030 0.000 1.344 521 E CA 1.431 57.841 56.400 0.016 0.000 0.714 521 E CB -1.731 27.974 29.700 0.009 0.000 1.112 521 E HN 0.748 nan 8.360 nan 0.000 0.350 522 T N -2.136 112.383 114.554 -0.058 0.000 2.893 522 T HA 0.528 4.878 4.350 0.000 0.000 0.291 522 T C -0.212 174.284 174.700 -0.340 0.000 1.028 522 T CA -1.400 60.566 62.100 -0.222 0.000 0.995 522 T CB 1.864 70.545 68.868 -0.312 0.000 1.051 522 T HN 0.156 nan 8.240 nan 0.000 0.470 523 K N 1.993 122.131 120.400 -0.437 0.000 2.205 523 K HA 0.517 4.838 4.320 0.000 0.000 0.279 523 K C -1.319 174.958 176.600 -0.539 0.000 1.027 523 K CA -0.610 55.400 56.287 -0.461 0.000 0.932 523 K CB 0.708 32.665 32.500 -0.905 0.000 1.032 523 K HN 0.576 nan 8.250 nan 0.000 0.466 524 F N 1.235 121.220 119.950 0.058 0.000 2.493 524 F HA 0.304 4.831 4.527 0.000 0.000 0.329 524 F C -0.670 175.245 175.800 0.191 0.000 1.126 524 F CA -0.899 57.181 58.000 0.133 0.000 0.937 524 F CB 1.184 40.305 39.000 0.202 0.000 1.146 524 F HN 0.488 nan 8.300 nan 0.000 0.442 525 W N 3.746 125.207 121.300 0.269 0.000 2.316 525 W HA 0.473 5.133 4.660 0.000 0.000 0.321 525 W C -0.530 176.218 176.519 0.381 0.000 1.203 525 W CA -0.648 56.887 57.345 0.318 0.000 1.214 525 W CB 0.488 30.056 29.460 0.179 0.000 1.169 525 W HN 0.422 nan 8.180 nan 0.000 0.561 526 Y N -0.138 120.503 120.300 0.570 0.000 2.602 526 Y HA 0.722 5.272 4.550 0.000 0.000 0.342 526 Y C -0.714 175.413 175.900 0.378 0.000 1.029 526 Y CA -1.965 56.467 58.100 0.553 0.000 1.080 526 Y CB 1.179 40.094 38.460 0.759 0.000 1.284 526 Y HN 0.553 nan 8.280 nan 0.000 0.485 527 Q N 2.090 122.107 119.800 0.362 0.000 2.421 527 Q HA 0.752 5.092 4.340 0.000 0.000 0.280 527 Q C -1.855 174.230 176.000 0.141 0.000 1.085 527 Q CA -1.139 54.749 55.803 0.142 0.000 0.807 527 Q CB 3.149 31.952 28.738 0.109 0.000 1.405 527 Q HN 0.859 nan 8.270 nan 0.000 0.419 528 M N 2.925 122.536 119.600 0.019 0.000 2.213 528 M HA 0.408 4.888 4.480 0.000 0.000 0.286 528 M C -1.210 175.006 176.300 -0.141 0.000 1.008 528 M CA -0.884 54.373 55.300 -0.071 0.000 0.937 528 M CB 2.090 34.613 32.600 -0.129 0.000 1.600 528 M HN 0.618 nan 8.290 nan 0.000 0.450 529 I N 5.174 125.662 120.570 -0.137 0.000 2.322 529 I HA 0.330 4.501 4.170 0.000 0.000 0.292 529 I C -0.320 175.640 176.117 -0.261 0.000 1.060 529 I CA -0.180 61.013 61.300 -0.178 0.000 1.309 529 I CB 0.005 37.920 38.000 -0.142 0.000 1.415 529 I HN 0.657 nan 8.210 nan 0.000 0.492 530 L N 8.613 129.634 121.223 -0.337 0.000 2.309 530 L HA 0.465 4.805 4.340 0.000 0.000 0.282 530 L C -2.188 174.490 176.870 -0.321 0.000 1.036 530 L CA -1.827 52.714 54.840 -0.499 0.000 0.806 530 L CB 1.363 42.968 42.059 -0.757 0.000 1.220 530 L HN 0.292 nan 8.230 nan 0.000 0.429 531 P HA 0.050 nan 4.420 nan 0.000 0.268 531 P C -2.461 174.790 177.300 -0.083 0.000 1.208 531 P CA -0.873 62.153 63.100 -0.123 0.000 0.777 531 P CB -0.312 31.384 31.700 -0.006 0.000 0.875 532 P HA -0.089 nan 4.420 nan 0.000 0.268 532 P C -0.170 177.028 177.300 -0.171 0.000 1.208 532 P CA 0.695 63.644 63.100 -0.253 0.000 0.777 532 P CB -0.050 31.418 31.700 -0.387 0.000 0.875 533 H N -1.340 117.764 119.070 0.057 0.000 2.713 533 H HA -0.208 4.348 4.556 0.000 0.000 0.311 533 H C 0.018 175.400 175.328 0.089 0.000 1.175 533 H CA 0.116 56.197 56.048 0.056 0.000 1.143 533 H CB -2.612 27.175 29.762 0.042 0.000 1.434 533 H HN 0.415 nan 8.280 nan 0.000 0.418 534 F N 2.723 122.670 119.950 -0.005 0.000 2.546 534 F HA 0.151 4.678 4.527 0.000 0.000 0.388 534 F C 0.478 176.270 175.800 -0.014 0.000 1.051 534 F CA -0.576 57.371 58.000 -0.088 0.000 1.130 534 F CB 0.408 39.244 39.000 -0.274 0.000 1.044 534 F HN 0.145 nan 8.300 nan 0.000 0.553 535 D N 6.379 126.537 120.400 -0.404 0.000 2.443 535 D HA 0.093 4.733 4.640 0.000 0.000 0.221 535 D C 0.856 176.777 176.300 -0.631 0.000 1.097 535 D CA -0.506 53.245 54.000 -0.414 0.000 0.865 535 D CB 0.789 41.521 40.800 -0.114 0.000 1.034 535 D HN 0.693 nan 8.370 nan 0.000 0.511 536 K N 1.741 121.645 120.400 -0.828 0.000 2.585 536 K HA -0.097 4.223 4.320 0.000 0.000 0.194 536 K C 0.642 177.185 176.600 -0.095 0.000 1.037 536 K CA 0.940 56.849 56.287 -0.630 0.000 0.964 536 K CB -0.098 32.163 32.500 -0.398 0.000 0.787 536 K HN 0.225 nan 8.250 nan 0.000 0.488 537 S N -0.589 115.060 115.700 -0.085 0.000 2.523 537 S HA 0.164 4.634 4.470 0.000 0.000 0.217 537 S C 0.123 174.730 174.600 0.012 0.000 0.996 537 S CA -0.663 57.536 58.200 -0.002 0.000 0.921 537 S CB 0.189 63.369 63.200 -0.033 0.000 0.829 537 S HN 0.209 nan 8.310 nan 0.000 0.495 538 K N 1.283 121.688 120.400 0.009 0.000 2.106 538 K HA 0.427 4.747 4.320 0.000 0.000 0.246 538 K C -0.613 175.985 176.600 -0.003 0.000 0.987 538 K CA -0.844 55.394 56.287 -0.081 0.000 0.904 538 K CB 0.518 32.845 32.500 -0.289 0.000 1.071 538 K HN -0.076 nan 8.250 nan 0.000 0.453 539 K N 2.450 122.789 120.400 -0.103 0.000 2.266 539 K HA 0.208 4.528 4.320 0.000 0.000 0.274 539 K C -0.863 175.676 176.600 -0.101 0.000 1.090 539 K CA -0.114 56.158 56.287 -0.024 0.000 0.925 539 K CB 0.124 32.593 32.500 -0.052 0.000 1.225 539 K HN 0.441 nan 8.250 nan 0.000 0.458 540 Y N 3.430 123.774 120.300 0.074 0.000 2.320 540 Y HA 0.214 4.764 4.550 0.000 0.000 0.324 540 Y C -1.641 174.202 175.900 -0.095 0.000 1.190 540 Y CA -2.095 56.020 58.100 0.025 0.000 1.215 540 Y CB 0.800 39.341 38.460 0.136 0.000 1.221 540 Y HN 0.431 nan 8.280 nan 0.000 0.486 541 P HA 0.191 nan 4.420 nan 0.000 0.279 541 P C -1.177 175.971 177.300 -0.254 0.000 1.239 541 P CA -0.247 62.584 63.100 -0.448 0.000 0.789 541 P CB 1.453 32.560 31.700 -0.987 0.000 0.933 542 L N 3.685 124.803 121.223 -0.176 0.000 2.356 542 L HA 0.489 4.829 4.340 0.000 0.000 0.277 542 L C -1.005 176.048 176.870 0.306 0.000 0.996 542 L CA -0.936 53.948 54.840 0.073 0.000 0.822 542 L CB 1.427 43.529 42.059 0.071 0.000 1.256 542 L HN 0.251 nan 8.230 nan 0.000 0.413 543 L N 5.940 127.364 121.223 0.335 0.000 2.280 543 L HA 0.391 4.731 4.340 0.000 0.000 0.287 543 L C -1.049 176.059 176.870 0.398 0.000 1.023 543 L CA -0.867 54.227 54.840 0.424 0.000 0.819 543 L CB 1.634 43.896 42.059 0.338 0.000 1.212 543 L HN 0.598 nan 8.230 nan 0.000 0.420 544 L N 5.417 126.922 121.223 0.471 0.000 2.315 544 L HA 0.279 4.619 4.340 0.000 0.000 0.283 544 L C -0.130 176.985 176.870 0.407 0.000 1.089 544 L CA 0.234 55.341 54.840 0.444 0.000 0.833 544 L CB 0.650 43.023 42.059 0.523 0.000 1.170 544 L HN 0.476 nan 8.230 nan 0.000 0.442 545 D N 4.361 124.972 120.400 0.351 0.000 2.347 545 D HA 0.190 4.830 4.640 0.000 0.000 0.235 545 D C -1.035 175.348 176.300 0.139 0.000 1.149 545 D CA 0.081 54.212 54.000 0.219 0.000 0.850 545 D CB 1.272 42.255 40.800 0.306 0.000 1.061 545 D HN 0.340 nan 8.370 nan 0.000 0.487 546 V N 5.872 125.794 119.914 0.012 0.000 2.604 546 V HA 0.325 4.445 4.120 0.000 0.000 0.305 546 V C -0.623 175.557 176.094 0.143 0.000 1.043 546 V CA -0.454 61.916 62.300 0.115 0.000 0.888 546 V CB 1.705 33.597 31.823 0.116 0.000 0.995 546 V HN 0.637 nan 8.190 nan 0.000 0.429 547 Y N 5.659 126.018 120.300 0.098 0.000 2.697 547 Y HA 0.488 5.038 4.550 0.000 0.000 0.268 547 Y C 1.720 177.739 175.900 0.198 0.000 1.092 547 Y CA 1.301 59.482 58.100 0.136 0.000 1.304 547 Y CB 0.395 38.918 38.460 0.105 0.000 1.446 547 Y HN 0.914 nan 8.280 nan 0.000 0.491 548 A N 0.503 123.441 122.820 0.195 0.000 3.413 548 A HA -0.211 4.109 4.320 0.000 0.000 0.268 548 A C 1.093 178.517 177.584 -0.265 0.000 1.128 548 A CA 0.871 52.959 52.037 0.085 0.000 1.062 548 A CB -2.638 16.479 19.000 0.194 0.000 1.121 548 A HN 0.869 nan 8.150 nan 0.000 0.895 549 G N -0.574 107.845 108.800 -0.635 0.000 2.554 549 G HA2 0.431 4.392 3.960 0.000 0.000 0.238 549 G HA3 0.431 4.392 3.960 0.000 0.000 0.238 549 G C -2.130 172.512 174.900 -0.429 0.000 1.259 549 G CA -0.427 43.987 45.100 -1.144 0.000 0.843 549 G HN 0.295 nan 8.290 nan 0.000 0.582 550 P HA 0.019 nan 4.420 nan 0.000 0.260 550 P C 0.705 177.939 177.300 -0.110 0.000 1.172 550 P CA 0.234 63.120 63.100 -0.357 0.000 0.760 550 P CB 0.535 31.654 31.700 -0.968 0.000 0.773 551 C N 2.780 122.046 119.300 -0.057 0.000 4.417 551 C HA -0.162 4.298 4.460 0.000 0.000 0.284 551 C C 1.058 176.094 174.990 0.076 0.000 1.379 551 C CA 1.120 60.060 59.018 -0.131 0.000 1.918 551 C CB -2.672 24.821 27.740 -0.411 0.000 1.280 551 C HN 0.788 nan 8.230 nan 0.000 0.783 552 S N -0.035 115.772 115.700 0.179 0.000 2.645 552 S HA 0.550 5.020 4.470 0.000 0.000 0.266 552 S C -0.548 174.220 174.600 0.280 0.000 1.258 552 S CA 0.258 58.637 58.200 0.299 0.000 0.990 552 S CB 1.543 64.987 63.200 0.406 0.000 0.967 552 S HN 0.844 nan 8.310 nan 0.000 0.556 553 Q N -0.055 119.920 119.800 0.290 0.000 2.483 553 Q HA 0.328 4.668 4.340 0.000 0.000 0.245 553 Q C -0.745 175.364 176.000 0.182 0.000 0.902 553 Q CA -0.559 55.399 55.803 0.258 0.000 0.767 553 Q CB 0.903 29.835 28.738 0.322 0.000 1.341 553 Q HN 0.687 nan 8.270 nan 0.000 0.453 554 K N 0.967 121.475 120.400 0.181 0.000 2.358 554 K HA 0.325 4.645 4.320 0.000 0.000 0.200 554 K C -0.369 176.325 176.600 0.158 0.000 1.030 554 K CA 0.276 56.659 56.287 0.161 0.000 1.097 554 K CB 1.461 34.081 32.500 0.200 0.000 0.862 554 K HN 0.471 nan 8.250 nan 0.000 0.534 555 A N 2.647 125.567 122.820 0.166 0.000 2.399 555 A HA 0.388 4.708 4.320 0.000 0.000 0.327 555 A C -0.766 176.880 177.584 0.104 0.000 1.367 555 A CA -0.626 51.513 52.037 0.170 0.000 0.842 555 A CB 0.058 19.219 19.000 0.268 0.000 1.142 555 A HN 0.222 nan 8.150 nan 0.000 0.495 556 D N -0.181 120.259 120.400 0.068 0.000 2.837 556 D HA 0.521 5.161 4.640 0.000 0.000 0.294 556 D C 0.428 176.749 176.300 0.035 0.000 1.158 556 D CA 0.273 54.309 54.000 0.059 0.000 1.073 556 D CB 0.467 41.324 40.800 0.094 0.000 1.419 556 D HN 0.123 nan 8.370 nan 0.000 0.584 557 T N -2.231 112.368 114.554 0.076 0.000 3.248 557 T HA 0.384 4.735 4.350 0.000 0.000 0.271 557 T C 0.169 174.835 174.700 -0.056 0.000 1.005 557 T CA -0.485 61.642 62.100 0.045 0.000 0.902 557 T CB -0.796 68.135 68.868 0.106 0.000 1.102 557 T HN 0.250 nan 8.240 nan 0.000 0.548 558 V N 2.140 121.916 119.914 -0.230 0.000 2.775 558 V HA 0.380 4.500 4.120 0.000 0.000 0.299 558 V C 0.078 176.112 176.094 -0.101 0.000 1.062 558 V CA -0.945 61.176 62.300 -0.298 0.000 1.063 558 V CB 0.483 32.030 31.823 -0.460 0.000 0.994 558 V HN 0.588 nan 8.190 nan 0.000 0.483 559 F N 5.430 125.275 119.950 -0.175 0.000 2.424 559 F HA 0.559 5.086 4.527 0.000 0.000 0.356 559 F C 0.461 176.197 175.800 -0.106 0.000 1.110 559 F CA -0.235 57.690 58.000 -0.125 0.000 1.161 559 F CB 0.292 39.228 39.000 -0.108 0.000 1.115 559 F HN 0.402 nan 8.300 nan 0.000 0.507 560 R N 6.866 126.914 120.500 -0.752 0.000 2.628 560 R HA 0.511 4.851 4.340 0.000 0.000 0.288 560 R C -1.586 174.333 176.300 -0.635 0.000 0.980 560 R CA -1.040 54.766 56.100 -0.491 0.000 0.891 560 R CB 2.150 32.297 30.300 -0.254 0.000 1.188 560 R HN 0.661 nan 8.270 nan 0.000 0.450 561 L N 4.327 125.342 121.223 -0.348 0.000 2.283 561 L HA 0.384 4.724 4.340 0.000 0.000 0.281 561 L C -0.577 176.253 176.870 -0.068 0.000 1.033 561 L CA -0.599 54.087 54.840 -0.256 0.000 0.848 561 L CB 0.455 42.484 42.059 -0.049 0.000 1.226 561 L HN 0.764 nan 8.230 nan 0.000 0.429 562 N N 0.139 118.718 118.700 -0.203 0.000 3.316 562 N HA 0.163 4.903 4.740 0.000 0.000 0.300 562 N C 0.166 175.306 175.510 -0.617 0.000 1.567 562 N CA -0.928 51.873 53.050 -0.414 0.000 0.821 562 N CB 0.184 38.593 38.487 -0.130 0.000 1.748 562 N HN 0.267 nan 8.380 nan 0.000 0.603 563 W N 0.589 121.262 121.300 -1.045 0.000 2.305 563 W HA -0.034 4.626 4.660 0.000 0.000 0.308 563 W C 2.026 178.500 176.519 -0.075 0.000 1.226 563 W CA 3.084 60.118 57.345 -0.519 0.000 1.253 563 W CB -1.023 28.320 29.460 -0.195 0.000 1.146 563 W HN 0.730 nan 8.180 nan 0.000 0.507 564 A N -0.812 122.006 122.820 -0.003 0.000 1.933 564 A HA -0.191 4.129 4.320 0.000 0.000 0.218 564 A C 1.958 179.448 177.584 -0.156 0.000 1.175 564 A CA 2.432 54.405 52.037 -0.107 0.000 0.628 564 A CB -1.266 17.750 19.000 0.026 0.000 0.814 564 A HN 0.295 nan 8.150 nan 0.000 0.444 565 T N -1.044 113.427 114.554 -0.139 0.000 2.652 565 T HA -0.239 4.111 4.350 0.000 0.000 0.267 565 T C 1.801 176.519 174.700 0.030 0.000 1.039 565 T CA 1.812 63.812 62.100 -0.166 0.000 1.153 565 T CB -0.568 68.070 68.868 -0.385 0.000 0.863 565 T HN 0.662 nan 8.240 nan 0.000 0.428 566 Y N 2.138 122.514 120.300 0.128 0.000 2.097 566 Y HA -0.138 4.412 4.550 0.000 0.000 0.282 566 Y C 2.035 177.899 175.900 -0.059 0.000 1.152 566 Y CA 1.133 59.313 58.100 0.133 0.000 1.136 566 Y CB -0.790 37.726 38.460 0.094 0.000 0.975 566 Y HN 0.123 nan 8.280 nan 0.000 0.498 567 L N 0.168 120.987 121.223 -0.675 0.000 2.042 567 L HA -0.261 4.079 4.340 0.000 0.000 0.210 567 L C 2.856 179.464 176.870 -0.437 0.000 1.076 567 L CA 1.372 55.752 54.840 -0.767 0.000 0.749 567 L CB -1.065 40.603 42.059 -0.651 0.000 0.893 567 L HN 0.441 nan 8.230 nan 0.000 0.432 568 A N -0.900 121.747 122.820 -0.289 0.000 1.841 568 A HA -0.226 4.094 4.320 0.000 0.000 0.214 568 A C 2.536 180.025 177.584 -0.158 0.000 1.195 568 A CA 1.973 53.892 52.037 -0.196 0.000 0.611 568 A CB -0.856 18.032 19.000 -0.187 0.000 0.835 568 A HN 0.379 nan 8.150 nan 0.000 0.443 569 S N -1.204 114.416 115.700 -0.134 0.000 2.348 569 S HA -0.142 4.328 4.470 0.000 0.000 0.221 569 S C 1.932 176.502 174.600 -0.050 0.000 1.033 569 S CA 2.389 60.553 58.200 -0.059 0.000 1.010 569 S CB -0.524 62.701 63.200 0.043 0.000 0.891 569 S HN 0.555 nan 8.310 nan 0.000 0.442 570 T N 0.914 115.397 114.554 -0.119 0.000 3.044 570 T HA 0.222 4.572 4.350 0.000 0.000 0.255 570 T C 1.203 175.828 174.700 -0.125 0.000 1.073 570 T CA 0.480 62.534 62.100 -0.077 0.000 1.125 570 T CB 0.023 68.907 68.868 0.027 0.000 0.908 570 T HN 0.357 nan 8.240 nan 0.000 0.480 571 E N 1.132 121.181 120.200 -0.251 0.000 2.526 571 E HA 0.179 4.529 4.350 0.000 0.000 0.208 571 E C -0.222 176.347 176.600 -0.053 0.000 0.997 571 E CA -0.109 56.198 56.400 -0.156 0.000 0.961 571 E CB -0.135 29.418 29.700 -0.245 0.000 1.030 571 E HN 0.521 nan 8.360 nan 0.000 0.483 572 N N 1.119 119.798 118.700 -0.035 0.000 2.688 572 N HA -0.195 4.545 4.740 0.000 0.000 0.258 572 N C -0.882 174.693 175.510 0.109 0.000 1.016 572 N CA 0.379 53.480 53.050 0.084 0.000 0.747 572 N CB -1.291 37.301 38.487 0.176 0.000 0.895 572 N HN 0.232 nan 8.380 nan 0.000 0.543 573 I N 0.696 121.266 120.570 0.000 0.000 2.433 573 I HA 0.375 4.546 4.170 0.000 0.000 0.292 573 I C 0.513 176.602 176.117 -0.047 0.000 1.001 573 I CA -0.990 60.320 61.300 0.017 0.000 1.119 573 I CB 1.473 39.499 38.000 0.043 0.000 1.289 573 I HN 0.069 nan 8.210 nan 0.000 0.438 574 I N 6.339 126.885 120.570 -0.041 0.000 2.452 574 I HA 0.114 4.285 4.170 0.000 0.000 0.287 574 I C -0.264 175.829 176.117 -0.040 0.000 1.079 574 I CA -0.339 60.890 61.300 -0.119 0.000 1.387 574 I CB 0.813 38.726 38.000 -0.146 0.000 1.404 574 I HN 0.211 nan 8.210 nan 0.000 0.522 575 V N 6.871 126.753 119.914 -0.054 0.000 2.333 575 V HA 0.581 4.701 4.120 0.000 0.000 0.274 575 V C 0.423 176.543 176.094 0.044 0.000 1.028 575 V CA -0.446 61.877 62.300 0.038 0.000 0.851 575 V CB 0.948 32.791 31.823 0.033 0.000 1.000 575 V HN 0.829 nan 8.190 nan 0.000 0.456 576 A N 4.072 126.950 122.820 0.097 0.000 2.350 576 A HA 0.910 5.230 4.320 0.000 0.000 0.324 576 A C -0.095 177.639 177.584 0.251 0.000 1.118 576 A CA -0.457 51.632 52.037 0.086 0.000 0.783 576 A CB 1.572 20.490 19.000 -0.137 0.000 1.236 576 A HN 0.676 nan 8.150 nan 0.000 0.457 577 S N 0.075 115.959 115.700 0.307 0.000 2.568 577 S HA 0.790 5.260 4.470 0.000 0.000 0.293 577 S C -1.390 173.550 174.600 0.566 0.000 1.089 577 S CA -0.314 58.118 58.200 0.387 0.000 0.945 577 S CB 1.356 64.726 63.200 0.284 0.000 1.077 577 S HN 0.762 nan 8.310 nan 0.000 0.485 578 F N 1.801 121.978 119.950 0.378 0.000 2.562 578 F HA 0.412 4.939 4.527 0.000 0.000 0.319 578 F C -1.536 174.464 175.800 0.332 0.000 1.154 578 F CA -0.755 57.492 58.000 0.412 0.000 0.931 578 F CB 1.302 40.531 39.000 0.382 0.000 1.198 578 F HN 0.377 nan 8.300 nan 0.000 0.444 579 D N 4.849 125.077 120.400 -0.288 0.000 2.411 579 D HA 0.364 5.004 4.640 0.000 0.000 0.225 579 D C 0.438 176.429 176.300 -0.515 0.000 1.156 579 D CA 0.274 54.154 54.000 -0.200 0.000 0.874 579 D CB 1.463 42.292 40.800 0.049 0.000 1.034 579 D HN 0.763 nan 8.370 nan 0.000 0.502 580 G N 1.622 110.256 108.800 -0.277 0.000 2.695 580 G HA2 0.281 4.241 3.960 0.000 0.000 0.213 580 G HA3 0.281 4.241 3.960 0.000 0.000 0.213 580 G C 0.102 175.047 174.900 0.075 0.000 1.406 580 G CA -0.717 44.296 45.100 -0.146 0.000 1.049 580 G HN 0.304 nan 8.290 nan 0.000 0.573 581 R N -0.625 119.903 120.500 0.047 0.000 2.570 581 R HA 0.384 4.724 4.340 0.000 0.000 0.277 581 R C 1.173 177.563 176.300 0.149 0.000 1.039 581 R CA 1.442 57.632 56.100 0.150 0.000 1.065 581 R CB 0.568 30.926 30.300 0.096 0.000 0.964 581 R HN 1.026 nan 8.270 nan 0.000 0.428 582 G N 1.208 110.088 108.800 0.133 0.000 2.232 582 G HA2 -0.311 3.650 3.960 0.000 0.000 0.226 582 G HA3 -0.311 3.650 3.960 0.000 0.000 0.226 582 G C 0.117 175.049 174.900 0.054 0.000 0.996 582 G CA 0.108 45.271 45.100 0.106 0.000 0.626 582 G HN 0.695 nan 8.290 nan 0.000 0.509 583 S N 0.345 116.085 115.700 0.066 0.000 2.624 583 S HA 0.685 5.155 4.470 0.000 0.000 0.263 583 S C 0.884 175.460 174.600 -0.039 0.000 1.287 583 S CA 0.350 58.579 58.200 0.048 0.000 0.990 583 S CB 1.753 65.014 63.200 0.102 0.000 0.950 583 S HN 1.613 nan 8.310 nan 0.000 0.561 584 G N -1.256 107.476 108.800 -0.114 0.000 2.613 584 G HA2 0.496 4.456 3.960 0.000 0.000 0.303 584 G HA3 0.496 4.456 3.960 0.000 0.000 0.303 584 G C -0.883 173.829 174.900 -0.313 0.000 1.312 584 G CA -0.962 43.867 45.100 -0.453 0.000 1.036 584 G HN 0.932 nan 8.290 nan 0.000 0.513 585 Y N -2.553 117.725 120.300 -0.037 0.000 4.881 585 Y HA -0.226 4.325 4.550 0.000 0.000 0.241 585 Y C 1.493 177.383 175.900 -0.016 0.000 0.985 585 Y CA 1.151 59.238 58.100 -0.022 0.000 1.976 585 Y CB -2.039 36.421 38.460 0.000 0.000 1.528 585 Y HN 0.526 nan 8.280 nan 0.000 0.581 586 Q N 0.287 120.082 119.800 -0.007 0.000 2.135 586 Q HA 0.502 4.843 4.340 0.000 0.000 0.231 586 Q C 1.050 176.908 176.000 -0.238 0.000 0.817 586 Q CA 0.203 56.006 55.803 -0.000 0.000 1.073 586 Q CB 1.434 30.179 28.738 0.011 0.000 1.176 586 Q HN 0.558 nan 8.270 nan 0.000 0.478 587 G N 1.048 109.590 108.800 -0.430 0.000 2.787 587 G HA2 -0.229 3.731 3.960 0.000 0.000 0.685 587 G HA3 -0.229 3.731 3.960 0.000 0.000 0.685 587 G C -0.304 174.225 174.900 -0.618 0.000 1.437 587 G CA -0.392 44.223 45.100 -0.809 0.000 0.872 587 G HN 0.203 nan 8.290 nan 0.000 0.566 588 D N 0.470 120.466 120.400 -0.672 0.000 2.218 588 D HA -0.095 4.545 4.640 0.000 0.000 0.204 588 D C 2.490 178.513 176.300 -0.462 0.000 0.976 588 D CA 1.517 55.083 54.000 -0.725 0.000 0.853 588 D CB 0.009 40.352 40.800 -0.762 0.000 0.939 588 D HN 0.733 nan 8.370 nan 0.000 0.481 589 K N 0.834 121.027 120.400 -0.346 0.000 2.147 589 K HA -0.111 4.209 4.320 0.000 0.000 0.205 589 K C 2.014 178.534 176.600 -0.133 0.000 1.049 589 K CA 0.944 57.116 56.287 -0.193 0.000 0.936 589 K CB -0.303 32.102 32.500 -0.157 0.000 0.722 589 K HN 0.215 nan 8.250 nan 0.000 0.446 590 I N 0.702 121.177 120.570 -0.157 0.000 2.339 590 I HA -0.114 4.057 4.170 0.000 0.000 0.245 590 I C 2.838 178.927 176.117 -0.047 0.000 1.096 590 I CA 0.617 61.890 61.300 -0.044 0.000 1.408 590 I CB -0.130 37.861 38.000 -0.016 0.000 1.092 590 I HN 0.137 nan 8.210 nan 0.000 0.423 591 M N 0.403 119.898 119.600 -0.176 0.000 2.067 591 M HA -0.237 4.243 4.480 0.000 0.000 0.260 591 M C 2.055 178.362 176.300 0.010 0.000 1.069 591 M CA 2.050 57.266 55.300 -0.141 0.000 1.117 591 M CB -0.364 32.040 32.600 -0.327 0.000 1.334 591 M HN 0.248 nan 8.290 nan 0.000 0.407 592 H N -0.630 118.336 119.070 -0.173 0.000 2.563 592 H HA 0.106 4.662 4.556 0.000 0.000 0.272 592 H C 1.765 177.114 175.328 0.035 0.000 1.005 592 H CA 0.124 56.085 56.048 -0.145 0.000 1.171 592 H CB 0.005 29.592 29.762 -0.292 0.000 1.351 592 H HN 0.526 nan 8.280 nan 0.000 0.602 593 A N 1.435 124.347 122.820 0.154 0.000 2.131 593 A HA -0.117 4.203 4.320 0.000 0.000 0.220 593 A C 1.952 179.721 177.584 0.309 0.000 1.158 593 A CA 1.044 53.173 52.037 0.153 0.000 0.665 593 A CB -0.665 18.369 19.000 0.058 0.000 0.795 593 A HN 0.606 nan 8.150 nan 0.000 0.460 594 I N -3.733 117.022 120.570 0.309 0.000 3.927 594 I HA 0.210 4.380 4.170 0.000 0.000 0.332 594 I C 0.308 176.566 176.117 0.234 0.000 1.485 594 I CA -0.589 60.888 61.300 0.294 0.000 1.131 594 I CB -0.407 37.735 38.000 0.237 0.000 1.092 594 I HN 0.166 nan 8.210 nan 0.000 0.410 595 N N 2.909 121.776 118.700 0.279 0.000 2.412 595 N HA -0.038 4.703 4.740 0.000 0.000 0.254 595 N C 0.286 175.876 175.510 0.133 0.000 1.232 595 N CA 0.287 53.502 53.050 0.276 0.000 0.880 595 N CB 0.387 39.002 38.487 0.212 0.000 1.076 595 N HN 0.383 nan 8.380 nan 0.000 0.458 596 R N 0.352 120.914 120.500 0.102 0.000 4.024 596 R HA -0.231 4.109 4.340 0.000 0.000 0.372 596 R C 0.070 176.352 176.300 -0.031 0.000 1.192 596 R CA 1.182 57.306 56.100 0.040 0.000 1.183 596 R CB -0.966 29.358 30.300 0.038 0.000 1.672 596 R HN 0.597 nan 8.270 nan 0.000 0.571 597 R N 0.585 121.056 120.500 -0.048 0.000 2.688 597 R HA 0.237 4.577 4.340 0.000 0.000 0.396 597 R C -0.893 175.440 176.300 0.055 0.000 1.081 597 R CA -0.413 55.529 56.100 -0.264 0.000 1.093 597 R CB 0.461 30.585 30.300 -0.293 0.000 1.338 597 R HN -0.086 nan 8.270 nan 0.000 0.613 598 L N -0.049 121.296 121.223 0.204 0.000 2.506 598 L HA 0.242 4.582 4.340 0.000 0.000 0.281 598 L C 1.523 178.652 176.870 0.432 0.000 1.228 598 L CA 1.876 56.856 54.840 0.234 0.000 0.850 598 L CB 0.743 42.762 42.059 -0.066 0.000 1.110 598 L HN 0.646 nan 8.230 nan 0.000 0.496 599 G N 0.835 109.904 108.800 0.449 0.000 2.143 599 G HA2 -0.317 3.643 3.960 0.000 0.000 0.249 599 G HA3 -0.317 3.643 3.960 0.000 0.000 0.249 599 G C 0.568 175.559 174.900 0.151 0.000 0.981 599 G CA 1.049 46.361 45.100 0.353 0.000 0.665 599 G HN 0.924 nan 8.290 nan 0.000 0.528 600 T N -3.351 111.259 114.554 0.093 0.000 3.066 600 T HA 0.482 4.832 4.350 0.000 0.000 0.176 600 T C 1.643 176.327 174.700 -0.027 0.000 0.826 600 T CA 0.874 62.921 62.100 -0.088 0.000 1.280 600 T CB -0.139 68.506 68.868 -0.372 0.000 2.214 600 T HN 0.181 nan 8.240 nan 0.000 0.399 601 F N 3.579 123.575 119.950 0.077 0.000 2.141 601 F HA -0.072 4.455 4.527 0.000 0.000 0.300 601 F C 2.789 178.630 175.800 0.069 0.000 1.079 601 F CA 1.607 59.642 58.000 0.059 0.000 1.264 601 F CB -0.750 38.283 39.000 0.056 0.000 1.011 601 F HN 0.562 nan 8.300 nan 0.000 0.487 602 E N 1.251 121.617 120.200 0.277 0.000 2.150 602 E HA -0.143 4.207 4.350 0.000 0.000 0.193 602 E C 2.193 178.904 176.600 0.185 0.000 0.985 602 E CA 1.748 58.285 56.400 0.228 0.000 0.814 602 E CB -1.177 28.668 29.700 0.242 0.000 0.752 602 E HN 0.388 nan 8.360 nan 0.000 0.466 603 V N -0.485 119.509 119.914 0.134 0.000 2.446 603 V HA -0.067 4.054 4.120 0.000 0.000 0.244 603 V C 1.972 178.099 176.094 0.056 0.000 1.039 603 V CA 1.596 63.930 62.300 0.056 0.000 1.045 603 V CB -0.422 31.377 31.823 -0.041 0.000 0.681 603 V HN -0.019 nan 8.190 nan 0.000 0.459 604 E N 0.890 121.135 120.200 0.076 0.000 2.110 604 E HA -0.166 4.184 4.350 0.000 0.000 0.193 604 E C 1.909 178.538 176.600 0.048 0.000 0.988 604 E CA 1.750 58.190 56.400 0.067 0.000 0.804 604 E CB -0.293 29.468 29.700 0.101 0.000 0.745 604 E HN 0.663 nan 8.360 nan 0.000 0.458 605 D N -0.265 120.182 120.400 0.078 0.000 2.219 605 D HA -0.136 4.504 4.640 0.000 0.000 0.205 605 D C 1.815 178.121 176.300 0.011 0.000 0.970 605 D CA 0.734 54.755 54.000 0.035 0.000 0.851 605 D CB -0.048 40.813 40.800 0.102 0.000 0.943 605 D HN 0.053 nan 8.370 nan 0.000 0.488 606 Q N 0.247 120.107 119.800 0.100 0.000 2.049 606 Q HA 0.017 4.357 4.340 0.000 0.000 0.198 606 Q C 2.167 178.193 176.000 0.044 0.000 0.971 606 Q CA 0.845 56.715 55.803 0.113 0.000 0.833 606 Q CB -0.182 28.651 28.738 0.159 0.000 0.896 606 Q HN 0.296 nan 8.270 nan 0.000 0.434 607 I N 0.500 121.120 120.570 0.084 0.000 2.208 607 I HA -0.269 3.901 4.170 0.000 0.000 0.245 607 I C 2.213 178.293 176.117 -0.061 0.000 1.097 607 I CA 1.137 62.523 61.300 0.143 0.000 1.363 607 I CB -0.372 37.701 38.000 0.121 0.000 1.051 607 I HN 0.242 nan 8.210 nan 0.000 0.413 608 E N 1.354 121.463 120.200 -0.151 0.000 2.038 608 E HA -0.214 4.136 4.350 0.000 0.000 0.195 608 E C 2.283 178.592 176.600 -0.485 0.000 1.000 608 E CA 1.771 58.013 56.400 -0.263 0.000 0.803 608 E CB -0.394 29.161 29.700 -0.242 0.000 0.750 608 E HN 0.439 nan 8.360 nan 0.000 0.448 609 A N 1.113 123.487 122.820 -0.742 0.000 1.917 609 A HA -0.216 4.104 4.320 0.000 0.000 0.219 609 A C 2.450 179.315 177.584 -1.199 0.000 1.182 609 A CA 2.837 54.126 52.037 -1.246 0.000 0.633 609 A CB -0.958 17.071 19.000 -1.618 0.000 0.819 609 A HN 0.338 nan 8.150 nan 0.000 0.448 610 A N -0.244 122.241 122.820 -0.559 0.000 1.865 610 A HA -0.232 4.088 4.320 0.000 0.000 0.217 610 A C 2.240 179.595 177.584 -0.381 0.000 1.191 610 A CA 1.734 53.576 52.037 -0.325 0.000 0.623 610 A CB -0.593 18.254 19.000 -0.255 0.000 0.826 610 A HN 0.577 nan 8.150 nan 0.000 0.444 611 R N -0.828 119.457 120.500 -0.359 0.000 2.096 611 R HA -0.185 4.155 4.340 0.000 0.000 0.240 611 R C 2.411 178.527 176.300 -0.306 0.000 1.139 611 R CA 1.617 57.547 56.100 -0.284 0.000 0.952 611 R CB -0.464 29.699 30.300 -0.228 0.000 0.854 611 R HN 0.605 nan 8.270 nan 0.000 0.436 612 Q N -0.148 119.386 119.800 -0.444 0.000 2.135 612 Q HA -0.151 4.189 4.340 0.000 0.000 0.204 612 Q C 2.069 177.879 176.000 -0.317 0.000 0.981 612 Q CA 1.444 56.996 55.803 -0.418 0.000 0.856 612 Q CB -0.248 28.148 28.738 -0.570 0.000 0.902 612 Q HN 0.318 nan 8.270 nan 0.000 0.425 613 F N 0.979 120.755 119.950 -0.289 0.000 2.186 613 F HA -0.083 4.444 4.527 0.000 0.000 0.299 613 F C 2.571 178.173 175.800 -0.330 0.000 1.090 613 F CA 0.629 58.441 58.000 -0.314 0.000 1.307 613 F CB -1.038 37.820 39.000 -0.237 0.000 1.019 613 F HN -0.061 nan 8.300 nan 0.000 0.489 614 S N 0.317 115.954 115.700 -0.104 0.000 2.359 614 S HA -0.205 4.265 4.470 0.000 0.000 0.223 614 S C 2.103 176.603 174.600 -0.168 0.000 1.039 614 S CA 1.190 59.304 58.200 -0.145 0.000 1.042 614 S CB -0.292 62.824 63.200 -0.141 0.000 0.915 614 S HN 0.202 nan 8.310 nan 0.000 0.439 615 K N 1.292 121.598 120.400 -0.157 0.000 2.107 615 K HA -0.089 4.232 4.320 0.000 0.000 0.211 615 K C 1.920 178.425 176.600 -0.158 0.000 1.049 615 K CA 1.386 57.591 56.287 -0.137 0.000 0.927 615 K CB -0.688 31.738 32.500 -0.124 0.000 0.714 615 K HN 0.474 nan 8.250 nan 0.000 0.452 616 M N -1.047 118.411 119.600 -0.237 0.000 2.435 616 M HA -0.128 4.352 4.480 0.000 0.000 0.262 616 M C 1.568 177.627 176.300 -0.402 0.000 1.065 616 M CA 1.494 56.594 55.300 -0.334 0.000 1.076 616 M CB -0.312 31.977 32.600 -0.517 0.000 1.403 616 M HN 0.496 nan 8.290 nan 0.000 0.454 617 G N 0.705 109.294 108.800 -0.353 0.000 2.317 617 G HA2 -0.307 3.653 3.960 0.000 0.000 0.227 617 G HA3 -0.307 3.653 3.960 0.000 0.000 0.227 617 G C 0.517 175.372 174.900 -0.075 0.000 1.042 617 G CA 0.268 45.276 45.100 -0.155 0.000 0.623 617 G HN 0.584 nan 8.290 nan 0.000 0.509 618 F N 1.410 121.429 119.950 0.115 0.000 2.676 618 F HA 0.741 5.269 4.527 0.000 0.000 0.300 618 F C 0.305 176.239 175.800 0.223 0.000 1.160 618 F CA -0.990 57.126 58.000 0.194 0.000 1.401 618 F CB -0.091 39.096 39.000 0.313 0.000 1.037 618 F HN 0.106 nan 8.300 nan 0.000 0.522 619 V N 1.044 120.971 119.914 0.021 0.000 2.555 619 V HA 0.169 4.289 4.120 0.000 0.000 0.302 619 V C -0.484 175.607 176.094 -0.004 0.000 1.038 619 V CA -0.978 61.347 62.300 0.041 0.000 0.887 619 V CB 1.691 33.473 31.823 -0.068 0.000 0.991 619 V HN 0.075 nan 8.190 nan 0.000 0.434 620 D N 3.796 124.186 120.400 -0.016 0.000 2.342 620 D HA 0.047 4.687 4.640 0.000 0.000 0.260 620 D C 1.244 177.497 176.300 -0.078 0.000 1.278 620 D CA 0.599 54.559 54.000 -0.066 0.000 0.910 620 D CB 0.257 40.990 40.800 -0.111 0.000 1.079 620 D HN 0.604 nan 8.370 nan 0.000 0.496 621 N N 2.757 121.414 118.700 -0.071 0.000 2.073 621 N HA -0.267 4.473 4.740 0.000 0.000 0.199 621 N C 0.574 176.043 175.510 -0.068 0.000 1.023 621 N CA 1.464 54.467 53.050 -0.078 0.000 0.880 621 N CB 0.150 38.596 38.487 -0.068 0.000 1.052 621 N HN 0.365 nan 8.380 nan 0.000 0.449 622 K N 0.517 120.887 120.400 -0.051 0.000 2.476 622 K HA 0.162 4.482 4.320 0.000 0.000 0.196 622 K C 0.097 176.700 176.600 0.003 0.000 1.025 622 K CA 0.368 56.642 56.287 -0.022 0.000 1.138 622 K CB 0.479 32.971 32.500 -0.013 0.000 0.860 622 K HN 0.086 nan 8.250 nan 0.000 0.515 623 R N 1.133 121.611 120.500 -0.035 0.000 2.674 623 R HA 0.328 4.668 4.340 0.000 0.000 0.270 623 R C -0.957 175.330 176.300 -0.021 0.000 1.492 623 R CA -0.149 55.929 56.100 -0.035 0.000 1.624 623 R CB 0.444 30.563 30.300 -0.301 0.000 1.307 623 R HN 0.108 nan 8.270 nan 0.000 0.683 624 I N 1.115 121.757 120.570 0.119 0.000 2.354 624 I HA 0.521 4.692 4.170 0.000 0.000 0.292 624 I C 0.204 176.594 176.117 0.454 0.000 0.989 624 I CA -0.684 60.724 61.300 0.180 0.000 1.188 624 I CB 1.830 39.761 38.000 -0.113 0.000 1.342 624 I HN 0.233 nan 8.210 nan 0.000 0.457 625 A N 7.216 130.412 122.820 0.626 0.000 2.350 625 A HA 0.907 5.227 4.320 0.000 0.000 0.318 625 A C -1.000 176.957 177.584 0.621 0.000 1.132 625 A CA -0.640 51.754 52.037 0.595 0.000 0.811 625 A CB 1.887 21.114 19.000 0.379 0.000 1.313 625 A HN 0.739 nan 8.150 nan 0.000 0.454 626 I N 0.855 121.703 120.570 0.463 0.000 2.722 626 I HA 0.705 4.875 4.170 0.000 0.000 0.295 626 I C -1.879 174.491 176.117 0.423 0.000 1.161 626 I CA -0.570 60.934 61.300 0.340 0.000 1.032 626 I CB 1.636 39.570 38.000 -0.110 0.000 1.244 626 I HN 0.927 nan 8.210 nan 0.000 0.421 627 W N 7.074 128.510 121.300 0.227 0.000 3.213 627 W HA 0.835 5.495 4.660 0.000 0.000 0.318 627 W C -1.447 175.230 176.519 0.263 0.000 1.248 627 W CA -0.918 56.571 57.345 0.239 0.000 1.187 627 W CB 1.020 30.672 29.460 0.320 0.000 1.403 627 W HN 0.838 nan 8.180 nan 0.000 0.556 628 G N 0.865 109.569 108.800 -0.161 0.000 2.466 628 G HA2 0.465 4.425 3.960 0.000 0.000 0.291 628 G HA3 0.465 4.425 3.960 0.000 0.000 0.291 628 G C -2.873 172.017 174.900 -0.017 0.000 1.460 628 G CA -0.730 44.141 45.100 -0.382 0.000 0.791 628 G HN 0.668 nan 8.290 nan 0.000 0.505 629 W N 0.872 122.092 121.300 -0.133 0.000 2.844 629 W HA 0.605 5.265 4.660 0.000 0.000 0.340 629 W C 0.756 177.350 176.519 0.126 0.000 1.093 629 W CA 0.368 57.718 57.345 0.008 0.000 1.212 629 W CB 1.618 31.087 29.460 0.014 0.000 1.422 629 W HN 1.280 nan 8.180 nan 0.000 0.515 630 S N 1.919 117.942 115.700 0.539 0.000 4.059 630 S HA -0.434 4.036 4.470 0.000 0.000 0.624 630 S C 0.848 175.527 174.600 0.133 0.000 2.019 630 S CA 1.563 59.999 58.200 0.394 0.000 4.197 630 S CB -1.591 61.946 63.200 0.561 0.000 0.215 630 S HN 0.772 nan 8.310 nan 0.000 0.609 631 Y N 3.029 123.270 120.300 -0.099 0.000 2.181 631 Y HA -0.158 4.392 4.550 0.000 0.000 0.284 631 Y C 2.481 178.298 175.900 -0.138 0.000 1.179 631 Y CA 2.455 60.436 58.100 -0.197 0.000 1.179 631 Y CB -1.069 37.086 38.460 -0.508 0.000 0.973 631 Y HN 0.593 nan 8.280 nan 0.000 0.519 632 G N -1.188 107.630 108.800 0.030 0.000 2.442 632 G HA2 -0.248 3.712 3.960 0.000 0.000 0.219 632 G HA3 -0.248 3.712 3.960 0.000 0.000 0.219 632 G C 1.901 176.842 174.900 0.068 0.000 1.141 632 G CA 0.832 45.983 45.100 0.085 0.000 0.763 632 G HN 0.596 nan 8.290 nan 0.000 0.554 633 G N -0.406 108.444 108.800 0.082 0.000 2.403 633 G HA2 -0.162 3.798 3.960 0.000 0.000 0.216 633 G HA3 -0.162 3.798 3.960 0.000 0.000 0.216 633 G C 1.580 176.503 174.900 0.038 0.000 1.154 633 G CA 0.970 46.103 45.100 0.055 0.000 0.784 633 G HN 0.398 nan 8.290 nan 0.000 0.538 634 Y N 1.557 121.760 120.300 -0.162 0.000 2.097 634 Y HA -0.176 4.374 4.550 0.000 0.000 0.282 634 Y C 2.769 178.561 175.900 -0.179 0.000 1.152 634 Y CA 1.770 59.712 58.100 -0.264 0.000 1.136 634 Y CB -0.552 37.590 38.460 -0.531 0.000 0.975 634 Y HN 0.031 nan 8.280 nan 0.000 0.498 635 V N -0.173 119.605 119.914 -0.227 0.000 2.261 635 V HA -0.352 3.769 4.120 0.000 0.000 0.246 635 V C 2.322 178.295 176.094 -0.201 0.000 1.047 635 V CA 2.492 64.651 62.300 -0.234 0.000 1.015 635 V CB -1.337 30.501 31.823 0.024 0.000 0.642 635 V HN 0.512 nan 8.190 nan 0.000 0.446 636 T N 0.172 114.666 114.554 -0.099 0.000 2.620 636 T HA -0.274 4.077 4.350 0.000 0.000 0.267 636 T C 2.103 176.729 174.700 -0.123 0.000 1.044 636 T CA 2.253 64.302 62.100 -0.086 0.000 1.161 636 T CB -0.420 68.477 68.868 0.048 0.000 0.862 636 T HN 0.522 nan 8.240 nan 0.000 0.438 637 S N 0.927 116.588 115.700 -0.066 0.000 2.356 637 S HA -0.049 4.422 4.470 0.000 0.000 0.223 637 S C 2.179 176.680 174.600 -0.164 0.000 1.032 637 S CA 1.048 59.227 58.200 -0.036 0.000 1.005 637 S CB -0.343 62.886 63.200 0.049 0.000 0.867 637 S HN 0.304 nan 8.310 nan 0.000 0.449 638 M N 1.010 120.424 119.600 -0.309 0.000 2.108 638 M HA -0.072 4.408 4.480 0.000 0.000 0.261 638 M C 2.251 178.380 176.300 -0.286 0.000 1.066 638 M CA 1.200 56.298 55.300 -0.337 0.000 1.107 638 M CB -1.540 30.747 32.600 -0.521 0.000 1.356 638 M HN 0.182 nan 8.290 nan 0.000 0.406 639 V N 0.673 120.409 119.914 -0.297 0.000 2.261 639 V HA -0.262 3.858 4.120 0.000 0.000 0.246 639 V C 2.559 178.434 176.094 -0.365 0.000 1.047 639 V CA 1.537 63.654 62.300 -0.305 0.000 1.015 639 V CB -0.712 30.864 31.823 -0.412 0.000 0.642 639 V HN 0.416 nan 8.190 nan 0.000 0.446 640 L N 0.462 121.407 121.223 -0.464 0.000 2.187 640 L HA -0.115 4.226 4.340 0.000 0.000 0.213 640 L C 2.367 178.692 176.870 -0.907 0.000 1.100 640 L CA 1.580 56.053 54.840 -0.613 0.000 0.765 640 L CB -0.883 40.777 42.059 -0.665 0.000 0.904 640 L HN 0.506 nan 8.230 nan 0.000 0.437 641 G N -1.208 107.083 108.800 -0.849 0.000 2.920 641 G HA2 -0.123 3.838 3.960 0.000 0.000 0.208 641 G HA3 -0.123 3.838 3.960 0.000 0.000 0.208 641 G C 1.575 176.305 174.900 -0.283 0.000 1.159 641 G CA 0.666 45.378 45.100 -0.647 0.000 0.784 641 G HN 0.475 nan 8.290 nan 0.000 0.535 642 S N -0.371 115.187 115.700 -0.237 0.000 2.558 642 S HA 0.318 4.788 4.470 0.000 0.000 0.217 642 S C 1.709 176.255 174.600 -0.090 0.000 0.975 642 S CA 0.767 58.892 58.200 -0.125 0.000 0.912 642 S CB -0.167 62.976 63.200 -0.095 0.000 0.776 642 S HN 1.273 nan 8.310 nan 0.000 0.526 643 G N 2.055 110.785 108.800 -0.116 0.000 2.393 643 G HA2 -0.283 3.677 3.960 0.000 0.000 0.299 643 G HA3 -0.283 3.677 3.960 0.000 0.000 0.299 643 G C 0.567 175.451 174.900 -0.026 0.000 0.990 643 G CA 0.563 45.624 45.100 -0.065 0.000 1.118 643 G HN 1.257 nan 8.290 nan 0.000 0.513 644 S N -0.793 114.905 115.700 -0.002 0.000 2.575 644 S HA 0.389 4.859 4.470 0.000 0.000 0.215 644 S C 2.244 176.854 174.600 0.016 0.000 0.966 644 S CA 0.947 59.157 58.200 0.016 0.000 0.911 644 S CB 0.312 63.543 63.200 0.051 0.000 0.780 644 S HN 2.277 nan 8.310 nan 0.000 0.514 645 G N 0.940 109.755 108.800 0.025 0.000 2.219 645 G HA2 -0.312 3.648 3.960 0.000 0.000 0.271 645 G HA3 -0.312 3.648 3.960 0.000 0.000 0.271 645 G C 0.762 175.660 174.900 -0.003 0.000 0.991 645 G CA 0.627 45.738 45.100 0.018 0.000 0.685 645 G HN 0.650 nan 8.290 nan 0.000 0.531 646 V N -1.101 118.804 119.914 -0.015 0.000 2.719 646 V HA 0.236 4.356 4.120 0.000 0.000 0.252 646 V C 1.120 177.001 176.094 -0.356 0.000 1.065 646 V CA 1.358 63.522 62.300 -0.228 0.000 1.086 646 V CB -0.313 31.278 31.823 -0.385 0.000 0.700 646 V HN 0.334 nan 8.190 nan 0.000 0.467 647 F N -0.523 119.440 119.950 0.021 0.000 2.469 647 F HA 0.406 4.933 4.527 0.000 0.000 0.332 647 F C 1.035 176.878 175.800 0.072 0.000 1.103 647 F CA -0.587 57.452 58.000 0.065 0.000 0.979 647 F CB 1.640 40.680 39.000 0.067 0.000 1.137 647 F HN -0.304 nan 8.300 nan 0.000 0.463 648 K N 1.347 121.918 120.400 0.284 0.000 2.243 648 K HA 0.157 4.477 4.320 0.000 0.000 0.201 648 K C -0.398 176.334 176.600 0.221 0.000 1.051 648 K CA 0.767 57.178 56.287 0.208 0.000 0.970 648 K CB 0.259 32.881 32.500 0.203 0.000 0.755 648 K HN 0.791 nan 8.250 nan 0.000 0.465 649 c N -3.204 115.570 118.600 0.290 0.000 3.253 649 c HA 0.790 5.360 4.570 0.000 0.000 0.342 649 c C -0.356 173.960 174.090 0.378 0.000 1.306 649 c CA -0.766 55.753 56.329 0.317 0.000 1.207 649 c CB 0.961 43.606 42.510 0.226 0.000 1.479 649 c HN 0.301 nan 8.230 nan 0.000 0.469 650 G N 0.147 109.226 108.800 0.465 0.000 2.692 650 G HA2 0.782 4.742 3.960 0.000 0.000 0.291 650 G HA3 0.782 4.742 3.960 0.000 0.000 0.291 650 G C -1.832 173.294 174.900 0.377 0.000 1.423 650 G CA -0.827 44.526 45.100 0.422 0.000 0.843 650 G HN 1.083 nan 8.290 nan 0.000 0.486 651 I N 0.624 121.380 120.570 0.310 0.000 2.436 651 I HA 0.602 4.772 4.170 0.000 0.000 0.289 651 I C 0.157 176.387 176.117 0.189 0.000 1.010 651 I CA -1.013 60.347 61.300 0.100 0.000 1.098 651 I CB 2.197 40.241 38.000 0.074 0.000 1.266 651 I HN 0.598 nan 8.210 nan 0.000 0.434 652 A N 6.587 129.422 122.820 0.024 0.000 2.273 652 A HA 0.727 5.047 4.320 0.000 0.000 0.315 652 A C -0.573 176.932 177.584 -0.131 0.000 1.256 652 A CA -0.497 51.561 52.037 0.035 0.000 0.851 652 A CB 0.909 19.985 19.000 0.127 0.000 1.172 652 A HN 0.468 nan 8.150 nan 0.000 0.508 653 V N 2.236 122.031 119.914 -0.199 0.000 2.394 653 V HA 0.546 4.667 4.120 0.000 0.000 0.282 653 V C 1.023 176.721 176.094 -0.661 0.000 1.031 653 V CA 0.282 62.230 62.300 -0.587 0.000 0.881 653 V CB 0.703 31.864 31.823 -1.104 0.000 0.982 653 V HN 2.004 nan 8.190 nan 0.000 0.451 654 A N 5.717 128.135 122.820 -0.670 0.000 2.415 654 A HA -0.110 4.210 4.320 0.000 0.000 0.292 654 A C -1.716 175.740 177.584 -0.215 0.000 1.452 654 A CA 0.330 51.925 52.037 -0.737 0.000 0.750 654 A CB -1.569 17.042 19.000 -0.648 0.000 1.099 654 A HN 0.635 nan 8.150 nan 0.000 0.391 655 P HA 0.393 nan 4.420 nan 0.000 0.277 655 P C 0.153 177.419 177.300 -0.056 0.000 1.240 655 P CA -0.190 62.892 63.100 -0.029 0.000 0.798 655 P CB 1.144 32.847 31.700 0.007 0.000 0.979 656 V N 2.283 122.070 119.914 -0.211 0.000 2.614 656 V HA 0.063 4.184 4.120 0.000 0.000 0.291 656 V C 1.760 177.652 176.094 -0.338 0.000 1.049 656 V CA 0.863 62.898 62.300 -0.443 0.000 1.038 656 V CB 0.606 31.793 31.823 -1.060 0.000 0.980 656 V HN 0.810 nan 8.190 nan 0.000 0.481 657 S N 4.161 119.713 115.700 -0.247 0.000 2.599 657 S HA 0.229 4.699 4.470 0.000 0.000 0.236 657 S C 0.529 174.985 174.600 -0.240 0.000 1.077 657 S CA -0.378 57.746 58.200 -0.127 0.000 0.906 657 S CB 0.309 63.498 63.200 -0.019 0.000 0.804 657 S HN 0.831 nan 8.310 nan 0.000 0.497 658 R N -1.303 118.958 120.500 -0.399 0.000 2.626 658 R HA 0.521 4.861 4.340 0.000 0.000 0.274 658 R C -0.826 175.135 176.300 -0.564 0.000 1.031 658 R CA -0.925 54.852 56.100 -0.538 0.000 0.898 658 R CB 0.026 30.035 30.300 -0.484 0.000 1.222 658 R HN 0.141 nan 8.270 nan 0.000 0.455 659 W N 1.183 122.347 121.300 -0.227 0.000 2.392 659 W HA -0.041 4.619 4.660 0.000 0.000 0.279 659 W C 1.151 177.741 176.519 0.118 0.000 1.225 659 W CA 0.862 58.156 57.345 -0.086 0.000 1.233 659 W CB 0.189 29.514 29.460 -0.225 0.000 1.122 659 W HN 0.754 nan 8.180 nan 0.000 0.561 660 E N -0.961 119.371 120.200 0.219 0.000 2.333 660 E HA -0.215 4.136 4.350 0.000 0.000 0.198 660 E C 1.376 178.081 176.600 0.175 0.000 1.007 660 E CA 1.036 57.517 56.400 0.135 0.000 0.845 660 E CB -0.247 29.430 29.700 -0.038 0.000 0.766 660 E HN 0.389 nan 8.360 nan 0.000 0.507 661 Y N -1.511 118.885 120.300 0.160 0.000 2.448 661 Y HA 0.032 4.582 4.550 0.000 0.000 0.289 661 Y C 0.919 176.923 175.900 0.173 0.000 1.114 661 Y CA -0.240 57.926 58.100 0.110 0.000 1.235 661 Y CB -0.608 37.860 38.460 0.014 0.000 1.045 661 Y HN 0.025 nan 8.280 nan 0.000 0.554 662 Y N 2.447 122.903 120.300 0.259 0.000 2.281 662 Y HA 0.198 4.749 4.550 0.000 0.000 0.337 662 Y C 0.454 176.552 175.900 0.329 0.000 1.304 662 Y CA -1.678 56.574 58.100 0.253 0.000 1.465 662 Y CB 0.159 38.811 38.460 0.319 0.000 1.350 662 Y HN 0.239 nan 8.280 nan 0.000 0.575 663 D N -0.513 119.588 120.400 -0.499 0.000 2.382 663 D HA 0.111 4.751 4.640 0.000 0.000 0.240 663 D C 0.969 177.220 176.300 -0.081 0.000 1.146 663 D CA 0.320 54.106 54.000 -0.356 0.000 0.897 663 D CB 0.843 41.277 40.800 -0.610 0.000 1.197 663 D HN 0.472 nan 8.370 nan 0.000 0.432 664 S N 1.122 116.794 115.700 -0.046 0.000 2.348 664 S HA -0.225 4.245 4.470 0.000 0.000 0.221 664 S C 1.931 176.541 174.600 0.017 0.000 1.033 664 S CA 1.133 59.358 58.200 0.043 0.000 1.010 664 S CB -1.013 62.220 63.200 0.055 0.000 0.891 664 S HN 0.421 nan 8.310 nan 0.000 0.442 665 V N 0.807 120.670 119.914 -0.086 0.000 2.282 665 V HA -0.191 3.929 4.120 0.000 0.000 0.249 665 V C 2.291 178.288 176.094 -0.162 0.000 1.057 665 V CA 2.327 64.489 62.300 -0.230 0.000 1.032 665 V CB -1.034 30.508 31.823 -0.469 0.000 0.645 665 V HN 0.605 nan 8.190 nan 0.000 0.447 666 Y N 1.160 121.381 120.300 -0.132 0.000 2.114 666 Y HA -0.214 4.336 4.550 0.000 0.000 0.284 666 Y C 2.794 178.671 175.900 -0.039 0.000 1.119 666 Y CA 2.330 60.426 58.100 -0.006 0.000 1.108 666 Y CB -0.690 37.964 38.460 0.323 0.000 0.995 666 Y HN 0.194 nan 8.280 nan 0.000 0.491 667 T N 0.435 115.211 114.554 0.369 0.000 2.665 667 T HA -0.239 4.111 4.350 0.000 0.000 0.268 667 T C 1.553 176.233 174.700 -0.034 0.000 1.035 667 T CA 2.114 64.328 62.100 0.190 0.000 1.151 667 T CB -0.326 68.763 68.868 0.368 0.000 0.862 667 T HN 0.452 nan 8.240 nan 0.000 0.438 668 E N 0.277 120.474 120.200 -0.005 0.000 2.208 668 E HA -0.022 4.329 4.350 0.000 0.000 0.193 668 E C 2.307 178.789 176.600 -0.195 0.000 0.988 668 E CA 0.279 56.669 56.400 -0.016 0.000 0.828 668 E CB -0.101 29.633 29.700 0.055 0.000 0.763 668 E HN 0.346 nan 8.360 nan 0.000 0.478 669 R N 0.131 120.365 120.500 -0.443 0.000 2.170 669 R HA -0.202 4.138 4.340 0.000 0.000 0.242 669 R C 1.002 176.723 176.300 -0.965 0.000 1.145 669 R CA 1.568 57.196 56.100 -0.786 0.000 0.984 669 R CB 0.022 29.598 30.300 -1.208 0.000 0.869 669 R HN 0.246 nan 8.270 nan 0.000 0.455 670 Y N -2.370 117.649 120.300 -0.469 0.000 2.535 670 Y HA 0.244 4.794 4.550 0.000 0.000 0.264 670 Y C 1.795 177.543 175.900 -0.253 0.000 1.087 670 Y CA -0.087 57.738 58.100 -0.458 0.000 1.285 670 Y CB 0.363 38.454 38.460 -0.616 0.000 1.200 670 Y HN -0.065 nan 8.280 nan 0.000 0.514 671 M N -0.369 119.154 119.600 -0.128 0.000 2.367 671 M HA 0.354 4.834 4.480 0.000 0.000 0.256 671 M C 1.148 177.495 176.300 0.079 0.000 1.091 671 M CA 0.921 56.154 55.300 -0.112 0.000 1.049 671 M CB -0.306 32.026 32.600 -0.446 0.000 1.406 671 M HN 0.378 nan 8.290 nan 0.000 0.498 672 G N 1.830 110.678 108.800 0.079 0.000 2.562 672 G HA2 -0.216 3.745 3.960 0.000 0.000 0.250 672 G HA3 -0.216 3.745 3.960 0.000 0.000 0.250 672 G C -0.748 174.284 174.900 0.219 0.000 1.269 672 G CA -0.789 44.385 45.100 0.123 0.000 0.919 672 G HN 0.225 nan 8.290 nan 0.000 0.574 673 L N 2.553 123.869 121.223 0.155 0.000 2.325 673 L HA 0.519 4.859 4.340 0.000 0.000 0.279 673 L C -1.323 175.517 176.870 -0.049 0.000 1.054 673 L CA -2.029 52.847 54.840 0.061 0.000 0.804 673 L CB 1.155 43.225 42.059 0.017 0.000 1.200 673 L HN 0.425 nan 8.230 nan 0.000 0.436 674 P HA 0.084 nan 4.420 nan 0.000 0.220 674 P C -0.414 176.726 177.300 -0.268 0.000 1.778 674 P CA -0.145 62.531 63.100 -0.707 0.000 0.912 674 P CB -0.464 30.548 31.700 -1.146 0.000 1.861 675 T N -3.404 111.083 114.554 -0.112 0.000 2.940 675 T HA 0.483 4.833 4.350 0.000 0.000 0.288 675 T C -2.151 172.543 174.700 -0.011 0.000 1.033 675 T CA -2.459 59.609 62.100 -0.053 0.000 1.033 675 T CB 1.813 70.662 68.868 -0.032 0.000 1.079 675 T HN -0.285 nan 8.240 nan 0.000 0.496 676 P HA -0.026 nan 4.420 nan 0.000 0.218 676 P C 0.902 178.215 177.300 0.021 0.000 1.149 676 P CA 0.961 64.069 63.100 0.014 0.000 0.817 676 P CB 0.028 31.733 31.700 0.008 0.000 0.785 677 E N -1.198 119.010 120.200 0.014 0.000 2.347 677 E HA -0.095 4.255 4.350 0.000 0.000 0.196 677 E C 1.354 177.970 176.600 0.026 0.000 1.008 677 E CA 0.820 57.230 56.400 0.016 0.000 0.852 677 E CB -0.379 29.326 29.700 0.008 0.000 0.783 677 E HN 0.322 nan 8.360 nan 0.000 0.505 678 D N -0.637 119.784 120.400 0.035 0.000 3.168 678 D HA 0.114 4.754 4.640 0.000 0.000 0.219 678 D C 0.149 176.503 176.300 0.090 0.000 1.310 678 D CA -0.017 54.017 54.000 0.056 0.000 1.348 678 D CB -0.045 40.789 40.800 0.056 0.000 0.925 678 D HN 0.006 nan 8.370 nan 0.000 0.185 679 N N 0.059 118.842 118.700 0.138 0.000 2.299 679 N HA 0.050 4.791 4.740 0.000 0.000 0.246 679 N C 1.238 176.935 175.510 0.313 0.000 1.254 679 N CA -0.115 53.070 53.050 0.224 0.000 0.879 679 N CB 0.780 39.428 38.487 0.269 0.000 1.214 679 N HN -0.005 nan 8.380 nan 0.000 0.510 680 L N 1.141 122.462 121.223 0.163 0.000 2.043 680 L HA -0.186 4.155 4.340 0.000 0.000 0.212 680 L C 1.375 178.350 176.870 0.175 0.000 1.075 680 L CA 2.013 56.920 54.840 0.111 0.000 0.752 680 L CB -0.475 41.592 42.059 0.015 0.000 0.891 680 L HN 0.184 nan 8.230 nan 0.000 0.432 681 D N -1.520 118.972 120.400 0.152 0.000 2.104 681 D HA -0.240 4.400 4.640 0.000 0.000 0.194 681 D C 2.118 178.526 176.300 0.179 0.000 0.994 681 D CA 1.718 55.800 54.000 0.137 0.000 0.830 681 D CB -0.204 40.663 40.800 0.112 0.000 0.959 681 D HN 0.572 nan 8.370 nan 0.000 0.452 682 H N -0.814 118.326 119.070 0.117 0.000 2.462 682 H HA -0.067 4.489 4.556 0.000 0.000 0.292 682 H C 1.644 177.036 175.328 0.107 0.000 1.049 682 H CA 1.180 57.276 56.048 0.081 0.000 1.334 682 H CB -0.317 29.462 29.762 0.029 0.000 1.404 682 H HN 0.154 nan 8.280 nan 0.000 0.544 683 Y N 0.479 120.756 120.300 -0.038 0.000 2.081 683 Y HA -0.230 4.321 4.550 0.000 0.000 0.280 683 Y C 2.540 178.391 175.900 -0.082 0.000 1.163 683 Y CA 1.804 59.873 58.100 -0.051 0.000 1.135 683 Y CB 0.008 38.475 38.460 0.012 0.000 0.970 683 Y HN 0.141 nan 8.280 nan 0.000 0.498 684 R N -0.333 120.238 120.500 0.118 0.000 2.115 684 R HA -0.095 4.245 4.340 0.000 0.000 0.226 684 R C 1.522 177.826 176.300 0.006 0.000 1.100 684 R CA 0.766 56.893 56.100 0.045 0.000 0.980 684 R CB -0.810 29.519 30.300 0.048 0.000 0.875 684 R HN 0.378 nan 8.270 nan 0.000 0.445 685 N N 1.115 119.814 118.700 -0.001 0.000 2.521 685 N HA -0.057 4.683 4.740 0.000 0.000 0.188 685 N C 0.175 175.660 175.510 -0.041 0.000 1.146 685 N CA 0.605 53.661 53.050 0.011 0.000 0.893 685 N CB 0.332 38.880 38.487 0.102 0.000 0.975 685 N HN 0.160 nan 8.380 nan 0.000 0.451 686 S N -1.291 114.336 115.700 -0.121 0.000 2.843 686 S HA 0.087 4.557 4.470 0.000 0.000 0.249 686 S C 0.373 174.978 174.600 0.008 0.000 1.047 686 S CA -0.739 57.411 58.200 -0.084 0.000 1.042 686 S CB -0.213 62.832 63.200 -0.259 0.000 0.936 686 S HN 0.144 nan 8.310 nan 0.000 0.531 687 T N -1.261 113.277 114.554 -0.027 0.000 2.882 687 T HA 0.531 4.882 4.350 0.000 0.000 0.287 687 T C 1.352 176.039 174.700 -0.021 0.000 1.014 687 T CA -0.489 61.585 62.100 -0.043 0.000 1.049 687 T CB 1.218 70.042 68.868 -0.072 0.000 1.001 687 T HN -0.023 nan 8.240 nan 0.000 0.525 688 V N 1.923 121.821 119.914 -0.027 0.000 2.379 688 V HA -0.136 3.984 4.120 0.000 0.000 0.245 688 V C 2.759 178.822 176.094 -0.053 0.000 1.044 688 V CA 1.624 63.900 62.300 -0.041 0.000 1.036 688 V CB -0.840 30.952 31.823 -0.052 0.000 0.664 688 V HN 0.868 nan 8.190 nan 0.000 0.453 689 M N 1.216 120.771 119.600 -0.075 0.000 2.202 689 M HA -0.130 4.350 4.480 0.000 0.000 0.262 689 M C 2.285 178.554 176.300 -0.052 0.000 1.063 689 M CA 2.207 57.453 55.300 -0.090 0.000 1.097 689 M CB -2.031 30.525 32.600 -0.073 0.000 1.382 689 M HN 0.553 nan 8.290 nan 0.000 0.413 690 S N 0.717 116.400 115.700 -0.028 0.000 2.474 690 S HA -0.044 4.426 4.470 0.000 0.000 0.235 690 S C 1.795 176.401 174.600 0.009 0.000 0.997 690 S CA 0.621 58.815 58.200 -0.009 0.000 0.949 690 S CB -0.520 62.676 63.200 -0.007 0.000 0.766 690 S HN 0.571 nan 8.310 nan 0.000 0.517 691 R N 0.883 121.400 120.500 0.029 0.000 2.334 691 R HA 0.435 4.775 4.340 0.000 0.000 0.220 691 R C 2.197 178.608 176.300 0.186 0.000 0.917 691 R CA 0.460 56.608 56.100 0.081 0.000 1.073 691 R CB -0.376 29.966 30.300 0.070 0.000 1.056 691 R HN 0.480 nan 8.270 nan 0.000 0.506 692 A N 1.478 124.348 122.820 0.083 0.000 1.892 692 A HA -0.296 4.024 4.320 0.000 0.000 0.218 692 A C 2.025 179.700 177.584 0.152 0.000 1.188 692 A CA 1.925 53.971 52.037 0.015 0.000 0.631 692 A CB -0.355 18.576 19.000 -0.116 0.000 0.822 692 A HN 0.307 nan 8.150 nan 0.000 0.447 693 E N 0.577 120.834 120.200 0.095 0.000 2.147 693 E HA -0.235 4.115 4.350 0.000 0.000 0.199 693 E C 1.482 178.148 176.600 0.111 0.000 1.005 693 E CA 2.094 58.546 56.400 0.086 0.000 0.810 693 E CB -0.532 29.198 29.700 0.050 0.000 0.736 693 E HN 0.803 nan 8.360 nan 0.000 0.460 694 N N -1.339 117.427 118.700 0.111 0.000 2.521 694 N HA 0.004 4.744 4.740 0.000 0.000 0.188 694 N C 0.644 176.144 175.510 -0.017 0.000 1.146 694 N CA 0.082 53.144 53.050 0.021 0.000 0.893 694 N CB -0.044 38.407 38.487 -0.061 0.000 0.975 694 N HN 0.150 nan 8.380 nan 0.000 0.451 695 F N 1.199 121.108 119.950 -0.067 0.000 2.604 695 F HA 0.051 4.578 4.527 0.000 0.000 0.298 695 F C 1.925 177.730 175.800 0.009 0.000 1.131 695 F CA 0.532 58.488 58.000 -0.073 0.000 1.457 695 F CB 0.102 39.015 39.000 -0.145 0.000 1.095 695 F HN -0.075 nan 8.300 nan 0.000 0.574 696 K N 0.194 120.695 120.400 0.169 0.000 2.360 696 K HA -0.193 4.127 4.320 0.000 0.000 0.201 696 K C 1.139 177.796 176.600 0.095 0.000 1.046 696 K CA 1.120 57.484 56.287 0.127 0.000 0.940 696 K CB -0.127 32.428 32.500 0.093 0.000 0.748 696 K HN 0.441 nan 8.250 nan 0.000 0.465 697 Q N -0.099 119.738 119.800 0.062 0.000 2.219 697 Q HA 0.086 4.426 4.340 0.000 0.000 0.209 697 Q C -0.374 175.661 176.000 0.059 0.000 0.854 697 Q CA -0.276 55.556 55.803 0.047 0.000 0.960 697 Q CB 1.074 29.823 28.738 0.018 0.000 1.116 697 Q HN 0.057 nan 8.270 nan 0.000 0.500 698 V N -3.299 116.666 119.914 0.085 0.000 3.049 698 V HA 0.494 4.614 4.120 0.000 0.000 0.309 698 V C -1.133 175.098 176.094 0.228 0.000 1.148 698 V CA -1.334 61.041 62.300 0.125 0.000 0.990 698 V CB 2.310 34.166 31.823 0.054 0.000 1.039 698 V HN 0.009 nan 8.190 nan 0.000 0.430 699 E N 2.044 122.405 120.200 0.268 0.000 2.259 699 E HA 0.457 4.807 4.350 0.000 0.000 0.281 699 E C -1.690 175.271 176.600 0.601 0.000 1.027 699 E CA -0.284 56.348 56.400 0.387 0.000 0.838 699 E CB 1.431 31.299 29.700 0.281 0.000 1.066 699 E HN 0.680 nan 8.360 nan 0.000 0.401 700 Y N 3.087 123.644 120.300 0.429 0.000 2.409 700 Y HA 0.442 4.992 4.550 0.000 0.000 0.343 700 Y C -1.484 174.494 175.900 0.130 0.000 0.973 700 Y CA -1.295 56.998 58.100 0.320 0.000 1.064 700 Y CB 1.046 39.719 38.460 0.356 0.000 1.207 700 Y HN 0.428 nan 8.280 nan 0.000 0.452 701 L N 7.560 128.443 121.223 -0.567 0.000 2.343 701 L HA 0.483 4.823 4.340 0.000 0.000 0.278 701 L C -1.605 174.780 176.870 -0.809 0.000 0.996 701 L CA -0.758 53.640 54.840 -0.736 0.000 0.831 701 L CB 1.220 42.604 42.059 -1.125 0.000 1.232 701 L HN 0.631 nan 8.230 nan 0.000 0.413 702 L N 6.244 127.106 121.223 -0.602 0.000 2.272 702 L HA 0.576 4.916 4.340 0.000 0.000 0.289 702 L C -0.758 175.992 176.870 -0.199 0.000 1.032 702 L CA -0.475 54.099 54.840 -0.443 0.000 0.810 702 L CB 1.541 43.407 42.059 -0.322 0.000 1.205 702 L HN 0.574 nan 8.230 nan 0.000 0.422 703 I N 3.294 123.758 120.570 -0.177 0.000 2.545 703 I HA 0.417 4.587 4.170 0.000 0.000 0.292 703 I C -1.087 175.010 176.117 -0.033 0.000 1.040 703 I CA -0.754 60.494 61.300 -0.086 0.000 1.068 703 I CB 2.218 40.134 38.000 -0.140 0.000 1.251 703 I HN 0.609 nan 8.210 nan 0.000 0.424 704 H N 2.438 121.543 119.070 0.058 0.000 3.087 704 H HA 0.445 5.002 4.556 0.000 0.000 0.348 704 H C -0.345 175.196 175.328 0.354 0.000 1.092 704 H CA -0.546 55.574 56.048 0.120 0.000 1.285 704 H CB 1.952 31.718 29.762 0.006 0.000 1.875 704 H HN 0.782 nan 8.280 nan 0.000 0.512 705 G N 1.380 110.487 108.800 0.511 0.000 2.403 705 G HA2 0.191 4.151 3.960 0.000 0.000 0.259 705 G HA3 0.191 4.151 3.960 0.000 0.000 0.259 705 G C 1.190 176.380 174.900 0.484 0.000 1.244 705 G CA 0.177 45.560 45.100 0.473 0.000 0.849 705 G HN 0.760 nan 8.290 nan 0.000 0.532 706 T N -0.405 114.296 114.554 0.246 0.000 2.951 706 T HA 0.053 4.403 4.350 0.000 0.000 0.268 706 T C 1.788 176.450 174.700 -0.063 0.000 1.073 706 T CA 1.307 63.363 62.100 -0.073 0.000 1.134 706 T CB 0.099 68.838 68.868 -0.215 0.000 0.884 706 T HN 0.691 nan 8.240 nan 0.000 0.479 707 A N 1.203 124.056 122.820 0.055 0.000 2.640 707 A HA 0.284 4.604 4.320 0.000 0.000 0.282 707 A C 0.436 177.974 177.584 -0.077 0.000 1.357 707 A CA -0.486 51.556 52.037 0.009 0.000 0.946 707 A CB -0.464 18.815 19.000 0.464 0.000 1.065 707 A HN 0.403 nan 8.150 nan 0.000 0.541 708 D N 1.486 121.855 120.400 -0.052 0.000 2.344 708 D HA -0.008 4.633 4.640 0.000 0.000 0.253 708 D C 0.341 176.613 176.300 -0.047 0.000 1.255 708 D CA 0.122 54.202 54.000 0.133 0.000 0.894 708 D CB 0.644 41.684 40.800 0.401 0.000 1.067 708 D HN 0.588 nan 8.370 nan 0.000 0.492 709 D N 2.192 122.616 120.400 0.040 0.000 2.323 709 D HA -0.119 4.521 4.640 0.000 0.000 0.209 709 D C 1.070 177.369 176.300 -0.002 0.000 0.973 709 D CA 0.182 54.161 54.000 -0.036 0.000 0.874 709 D CB 0.286 41.019 40.800 -0.112 0.000 0.930 709 D HN 0.441 nan 8.370 nan 0.000 0.521 710 N N 0.265 119.068 118.700 0.172 0.000 2.272 710 N HA -0.047 4.694 4.740 0.000 0.000 0.195 710 N C -0.100 175.410 175.510 -0.001 0.000 1.048 710 N CA 0.191 53.374 53.050 0.221 0.000 0.912 710 N CB 0.606 39.235 38.487 0.236 0.000 1.096 710 N HN -0.177 nan 8.380 nan 0.000 0.471 711 V N 2.577 122.526 119.914 0.057 0.000 2.339 711 V HA 0.137 4.257 4.120 0.000 0.000 0.261 711 V C -0.738 175.460 176.094 0.174 0.000 1.058 711 V CA -0.144 62.207 62.300 0.085 0.000 0.897 711 V CB -0.407 31.494 31.823 0.129 0.000 1.052 711 V HN 0.337 nan 8.190 nan 0.000 0.480 712 H N 3.285 122.370 119.070 0.025 0.000 2.871 712 H HA -0.008 4.549 4.556 0.000 0.000 0.355 712 H C 0.808 176.035 175.328 -0.169 0.000 1.092 712 H CA -0.099 55.885 56.048 -0.107 0.000 1.420 712 H CB 0.732 30.332 29.762 -0.268 0.000 1.400 712 H HN 0.609 nan 8.280 nan 0.000 0.604 713 F N 1.974 121.750 119.950 -0.290 0.000 2.147 713 F HA -0.334 4.193 4.527 0.000 0.000 0.301 713 F C 2.643 178.134 175.800 -0.516 0.000 1.084 713 F CA 1.958 59.528 58.000 -0.717 0.000 1.268 713 F CB -0.232 38.539 39.000 -0.383 0.000 1.009 713 F HN 0.696 nan 8.300 nan 0.000 0.486 714 Q N 0.167 119.840 119.800 -0.211 0.000 2.165 714 Q HA -0.377 3.963 4.340 0.000 0.000 0.215 714 Q C 2.111 177.845 176.000 -0.444 0.000 1.010 714 Q CA 2.711 58.321 55.803 -0.321 0.000 0.896 714 Q CB -0.453 28.061 28.738 -0.373 0.000 0.956 714 Q HN 0.623 nan 8.270 nan 0.000 0.413 715 Q N -0.320 119.252 119.800 -0.380 0.000 2.030 715 Q HA -0.150 4.190 4.340 0.000 0.000 0.204 715 Q C 2.364 178.227 176.000 -0.229 0.000 0.986 715 Q CA 1.847 57.535 55.803 -0.191 0.000 0.843 715 Q CB -0.255 28.473 28.738 -0.017 0.000 0.904 715 Q HN 0.364 nan 8.270 nan 0.000 0.420 716 S N 0.882 116.344 115.700 -0.396 0.000 2.382 716 S HA -0.106 4.364 4.470 0.000 0.000 0.228 716 S C 2.089 176.420 174.600 -0.448 0.000 1.027 716 S CA 0.923 58.886 58.200 -0.396 0.000 0.991 716 S CB -0.254 62.672 63.200 -0.457 0.000 0.823 716 S HN 0.498 nan 8.310 nan 0.000 0.469 717 A N 1.310 123.763 122.820 -0.611 0.000 1.940 717 A HA -0.152 4.168 4.320 0.000 0.000 0.219 717 A C 2.123 179.594 177.584 -0.189 0.000 1.176 717 A CA 1.225 53.054 52.037 -0.347 0.000 0.631 717 A CB -0.477 18.384 19.000 -0.231 0.000 0.814 717 A HN 0.350 nan 8.150 nan 0.000 0.446 718 Q N -0.372 119.320 119.800 -0.180 0.000 2.167 718 Q HA -0.041 4.299 4.340 0.000 0.000 0.202 718 Q C 2.092 178.030 176.000 -0.103 0.000 0.970 718 Q CA 1.055 56.807 55.803 -0.086 0.000 0.855 718 Q CB -0.342 28.411 28.738 0.025 0.000 0.911 718 Q HN 0.800 nan 8.270 nan 0.000 0.438 719 I N 0.713 121.190 120.570 -0.155 0.000 2.193 719 I HA -0.261 3.909 4.170 0.000 0.000 0.240 719 I C 2.507 178.451 176.117 -0.287 0.000 1.084 719 I CA 1.299 62.464 61.300 -0.225 0.000 1.365 719 I CB -0.600 37.268 38.000 -0.220 0.000 1.064 719 I HN 0.185 nan 8.210 nan 0.000 0.410 720 S N 1.341 116.896 115.700 -0.242 0.000 2.359 720 S HA -0.336 4.135 4.470 0.000 0.000 0.223 720 S C 2.043 176.618 174.600 -0.043 0.000 1.039 720 S CA 1.834 59.947 58.200 -0.144 0.000 1.042 720 S CB -0.660 62.597 63.200 0.095 0.000 0.915 720 S HN 0.342 nan 8.310 nan 0.000 0.439 721 K N 1.792 122.169 120.400 -0.038 0.000 2.044 721 K HA -0.129 4.192 4.320 0.000 0.000 0.210 721 K C 2.357 178.936 176.600 -0.035 0.000 1.049 721 K CA 1.463 57.741 56.287 -0.015 0.000 0.927 721 K CB -0.809 31.677 32.500 -0.023 0.000 0.713 721 K HN 0.486 nan 8.250 nan 0.000 0.443 722 A N 0.934 123.702 122.820 -0.086 0.000 1.883 722 A HA -0.153 4.168 4.320 0.000 0.000 0.217 722 A C 2.134 179.652 177.584 -0.110 0.000 1.186 722 A CA 1.615 53.593 52.037 -0.099 0.000 0.624 722 A CB -0.689 18.228 19.000 -0.137 0.000 0.822 722 A HN 0.339 nan 8.150 nan 0.000 0.444 723 L N -0.729 120.382 121.223 -0.188 0.000 2.093 723 L HA -0.139 4.202 4.340 0.000 0.000 0.208 723 L C 2.504 179.404 176.870 0.051 0.000 1.085 723 L CA 0.862 55.610 54.840 -0.152 0.000 0.755 723 L CB -0.610 41.209 42.059 -0.399 0.000 0.904 723 L HN 0.236 nan 8.230 nan 0.000 0.435 724 V N -0.055 119.924 119.914 0.107 0.000 2.343 724 V HA -0.293 3.827 4.120 0.000 0.000 0.247 724 V C 2.066 178.201 176.094 0.068 0.000 1.051 724 V CA 1.941 64.320 62.300 0.132 0.000 1.036 724 V CB -0.458 31.436 31.823 0.120 0.000 0.654 724 V HN 0.434 nan 8.190 nan 0.000 0.451 725 D N -0.717 119.704 120.400 0.036 0.000 2.218 725 D HA -0.102 4.538 4.640 0.000 0.000 0.204 725 D C 1.731 178.045 176.300 0.023 0.000 0.976 725 D CA 1.090 55.103 54.000 0.022 0.000 0.853 725 D CB 0.073 40.877 40.800 0.007 0.000 0.939 725 D HN 0.371 nan 8.370 nan 0.000 0.481 726 V N -0.590 119.339 119.914 0.024 0.000 3.621 726 V HA 0.296 4.416 4.120 0.000 0.000 0.285 726 V C 0.782 176.905 176.094 0.048 0.000 1.346 726 V CA 0.810 63.127 62.300 0.029 0.000 1.104 726 V CB -0.037 31.797 31.823 0.019 0.000 0.913 726 V HN 0.331 nan 8.190 nan 0.000 0.432 727 G N 0.956 109.793 108.800 0.061 0.000 2.289 727 G HA2 -0.172 3.788 3.960 0.000 0.000 0.280 727 G HA3 -0.172 3.788 3.960 0.000 0.000 0.280 727 G C -0.205 174.755 174.900 0.100 0.000 1.089 727 G CA 0.292 45.436 45.100 0.074 0.000 0.939 727 G HN 0.640 nan 8.290 nan 0.000 0.499 728 V N 0.352 120.350 119.914 0.140 0.000 2.417 728 V HA 0.482 4.602 4.120 0.000 0.000 0.291 728 V C 0.369 176.641 176.094 0.295 0.000 1.024 728 V CA -0.790 61.626 62.300 0.193 0.000 0.861 728 V CB 1.827 33.761 31.823 0.185 0.000 0.985 728 V HN 0.448 nan 8.190 nan 0.000 0.436 729 D N 3.557 124.099 120.400 0.237 0.000 2.341 729 D HA 0.571 5.212 4.640 0.000 0.000 0.245 729 D C -0.499 176.025 176.300 0.374 0.000 1.106 729 D CA 0.359 54.479 54.000 0.200 0.000 0.905 729 D CB 0.739 41.605 40.800 0.110 0.000 1.202 729 D HN 0.369 nan 8.370 nan 0.000 0.426 730 F N -0.525 119.501 119.950 0.126 0.000 2.985 730 F HA 0.502 5.030 4.527 0.000 0.000 0.322 730 F C -1.425 174.431 175.800 0.093 0.000 1.187 730 F CA -1.123 56.974 58.000 0.162 0.000 0.910 730 F CB 0.666 39.798 39.000 0.219 0.000 1.411 730 F HN 0.048 nan 8.300 nan 0.000 0.492 731 Q N 1.138 121.050 119.800 0.186 0.000 2.301 731 Q HA 0.838 5.178 4.340 0.000 0.000 0.267 731 Q C -0.939 175.089 176.000 0.048 0.000 1.035 731 Q CA -0.800 55.013 55.803 0.016 0.000 0.856 731 Q CB 2.068 30.826 28.738 0.033 0.000 1.337 731 Q HN 1.060 nan 8.270 nan 0.000 0.450 732 A N 1.459 124.267 122.820 -0.020 0.000 2.556 732 A HA 0.857 5.178 4.320 0.000 0.000 0.294 732 A C -1.414 176.118 177.584 -0.087 0.000 1.091 732 A CA -0.544 51.505 52.037 0.021 0.000 0.704 732 A CB 1.898 20.985 19.000 0.146 0.000 1.300 732 A HN 0.596 nan 8.150 nan 0.000 0.406 733 M N 1.567 121.103 119.600 -0.107 0.000 2.234 733 M HA 0.546 5.026 4.480 0.000 0.000 0.267 733 M C -1.737 174.439 176.300 -0.207 0.000 1.022 733 M CA -0.506 54.588 55.300 -0.345 0.000 0.993 733 M CB 1.066 33.404 32.600 -0.437 0.000 1.836 733 M HN 0.914 nan 8.290 nan 0.000 0.479 734 W N 4.202 125.341 121.300 -0.268 0.000 2.436 734 W HA 0.786 5.446 4.660 0.000 0.000 0.347 734 W C -1.885 174.358 176.519 -0.460 0.000 1.136 734 W CA -0.729 56.533 57.345 -0.138 0.000 1.286 734 W CB 0.373 29.818 29.460 -0.026 0.000 1.253 734 W HN 0.596 nan 8.180 nan 0.000 0.617 735 Y N 1.706 122.159 120.300 0.255 0.000 2.363 735 Y HA 0.287 4.837 4.550 0.000 0.000 0.325 735 Y C 0.328 176.343 175.900 0.192 0.000 0.984 735 Y CA -1.254 56.907 58.100 0.102 0.000 1.248 735 Y CB 1.443 39.924 38.460 0.036 0.000 1.116 735 Y HN 0.413 nan 8.280 nan 0.000 0.470 736 T N 4.711 119.444 114.554 0.298 0.000 2.792 736 T HA -0.018 4.332 4.350 0.000 0.000 0.286 736 T C 0.166 174.934 174.700 0.113 0.000 0.970 736 T CA 0.764 62.981 62.100 0.195 0.000 1.187 736 T CB -0.173 68.756 68.868 0.101 0.000 0.915 736 T HN 0.718 nan 8.240 nan 0.000 0.529 737 D N 0.687 121.115 120.400 0.046 0.000 2.978 737 D HA -0.126 4.515 4.640 0.000 0.000 0.205 737 D C 0.339 176.746 176.300 0.177 0.000 1.093 737 D CA 1.195 55.139 54.000 -0.095 0.000 1.006 737 D CB -0.401 40.143 40.800 -0.426 0.000 1.116 737 D HN 0.550 nan 8.370 nan 0.000 0.419 738 E N 0.936 121.266 120.200 0.218 0.000 2.349 738 E HA 0.308 4.658 4.350 0.000 0.000 0.265 738 E C 0.890 177.660 176.600 0.283 0.000 1.064 738 E CA -0.162 56.386 56.400 0.248 0.000 0.886 738 E CB 1.112 30.944 29.700 0.221 0.000 1.036 738 E HN 0.365 nan 8.360 nan 0.000 0.413 739 D N -0.146 120.435 120.400 0.301 0.000 2.466 739 D HA -0.014 4.626 4.640 0.000 0.000 0.271 739 D C 1.105 177.615 176.300 0.350 0.000 1.193 739 D CA -0.046 54.154 54.000 0.333 0.000 1.103 739 D CB -0.373 40.656 40.800 0.382 0.000 1.184 739 D HN 0.441 nan 8.370 nan 0.000 0.593 740 H N -1.465 117.785 119.070 0.300 0.000 2.491 740 H HA 0.179 4.735 4.556 0.000 0.000 0.290 740 H C 1.916 177.499 175.328 0.426 0.000 1.050 740 H CA 1.926 58.175 56.048 0.336 0.000 1.309 740 H CB -0.345 29.604 29.762 0.313 0.000 1.392 740 H HN 0.459 nan 8.280 nan 0.000 0.554 741 G N 0.133 109.115 108.800 0.303 0.000 2.511 741 G HA2 -0.064 3.896 3.960 0.000 0.000 0.217 741 G HA3 -0.064 3.896 3.960 0.000 0.000 0.217 741 G C 0.744 175.833 174.900 0.314 0.000 1.133 741 G CA 0.364 45.582 45.100 0.197 0.000 0.792 741 G HN 0.535 nan 8.290 nan 0.000 0.539 742 I N 0.173 120.939 120.570 0.327 0.000 3.859 742 I HA -0.334 3.836 4.170 0.000 0.000 0.126 742 I C 1.545 177.787 176.117 0.208 0.000 1.065 742 I CA 0.187 61.615 61.300 0.213 0.000 2.735 742 I CB -1.167 36.908 38.000 0.124 0.000 1.465 742 I HN 0.277 nan 8.210 nan 0.000 0.341 743 A N 0.985 123.906 122.820 0.169 0.000 2.343 743 A HA 0.253 4.573 4.320 0.000 0.000 0.223 743 A C 1.168 178.802 177.584 0.083 0.000 1.214 743 A CA 0.582 52.688 52.037 0.116 0.000 0.900 743 A CB 0.218 19.263 19.000 0.075 0.000 0.942 743 A HN 0.622 nan 8.150 nan 0.000 0.507 744 S N -0.249 115.514 115.700 0.106 0.000 2.579 744 S HA 0.196 4.666 4.470 0.000 0.000 0.275 744 S C 1.246 175.900 174.600 0.090 0.000 1.345 744 S CA 0.384 58.639 58.200 0.091 0.000 1.031 744 S CB 1.127 64.389 63.200 0.104 0.000 0.892 744 S HN 0.522 nan 8.310 nan 0.000 0.529 745 S N 1.901 117.641 115.700 0.067 0.000 2.359 745 S HA -0.192 4.278 4.470 0.000 0.000 0.222 745 S C 2.081 176.742 174.600 0.101 0.000 1.038 745 S CA 2.355 60.596 58.200 0.068 0.000 1.051 745 S CB -1.635 61.589 63.200 0.039 0.000 0.944 745 S HN 1.081 nan 8.310 nan 0.000 0.433 746 T N -0.624 113.976 114.554 0.077 0.000 2.985 746 T HA 0.291 4.642 4.350 0.000 0.000 0.266 746 T C 1.919 176.668 174.700 0.081 0.000 1.076 746 T CA 1.125 63.270 62.100 0.075 0.000 1.135 746 T CB -0.689 68.215 68.868 0.059 0.000 0.890 746 T HN 0.468 nan 8.240 nan 0.000 0.480 747 A N 1.497 124.348 122.820 0.052 0.000 1.898 747 A HA -0.064 4.256 4.320 0.000 0.000 0.216 747 A C 2.176 179.715 177.584 -0.075 0.000 1.181 747 A CA 1.889 53.892 52.037 -0.057 0.000 0.620 747 A CB -1.197 17.744 19.000 -0.098 0.000 0.819 747 A HN 0.747 nan 8.150 nan 0.000 0.442 748 H N -0.335 118.718 119.070 -0.030 0.000 2.321 748 H HA -0.133 4.423 4.556 0.000 0.000 0.300 748 H C 2.098 177.483 175.328 0.095 0.000 1.087 748 H CA 2.336 58.416 56.048 0.052 0.000 1.319 748 H CB -0.229 29.567 29.762 0.057 0.000 1.379 748 H HN 0.544 nan 8.280 nan 0.000 0.501 749 Q N -0.981 118.787 119.800 -0.052 0.000 2.084 749 Q HA -0.180 4.160 4.340 0.000 0.000 0.202 749 Q C 2.272 178.241 176.000 -0.051 0.000 0.978 749 Q CA 1.432 57.171 55.803 -0.107 0.000 0.844 749 Q CB -0.184 28.545 28.738 -0.014 0.000 0.898 749 Q HN 0.625 nan 8.270 nan 0.000 0.426 750 H N 0.412 119.443 119.070 -0.065 0.000 2.353 750 H HA -0.106 4.450 4.556 0.000 0.000 0.300 750 H C 2.031 177.354 175.328 -0.009 0.000 1.090 750 H CA 1.447 57.494 56.048 -0.002 0.000 1.327 750 H CB -0.010 29.796 29.762 0.073 0.000 1.383 750 H HN 0.305 nan 8.280 nan 0.000 0.508 751 I N 0.073 120.615 120.570 -0.048 0.000 2.163 751 I HA -0.324 3.846 4.170 0.000 0.000 0.240 751 I C 1.866 177.779 176.117 -0.340 0.000 1.081 751 I CA 1.237 62.433 61.300 -0.175 0.000 1.353 751 I CB -0.378 37.338 38.000 -0.474 0.000 1.054 751 I HN 0.133 nan 8.210 nan 0.000 0.407 752 Y N 1.208 121.279 120.300 -0.381 0.000 2.241 752 Y HA -0.272 4.278 4.550 0.000 0.000 0.286 752 Y C 2.732 178.432 175.900 -0.335 0.000 1.166 752 Y CA 2.033 59.802 58.100 -0.551 0.000 1.203 752 Y CB -1.046 37.070 38.460 -0.573 0.000 0.977 752 Y HN 0.212 nan 8.280 nan 0.000 0.529 753 T N -1.788 112.695 114.554 -0.118 0.000 2.701 753 T HA -0.226 4.125 4.350 0.000 0.000 0.263 753 T C 1.583 176.218 174.700 -0.108 0.000 1.040 753 T CA 1.790 63.804 62.100 -0.143 0.000 1.147 753 T CB -0.492 68.294 68.868 -0.137 0.000 0.865 753 T HN 0.414 nan 8.240 nan 0.000 0.426 754 H N 0.769 119.744 119.070 -0.158 0.000 2.352 754 H HA 0.030 4.586 4.556 0.000 0.000 0.299 754 H C 2.163 177.492 175.328 0.001 0.000 1.097 754 H CA 1.696 57.718 56.048 -0.043 0.000 1.311 754 H CB -0.258 29.453 29.762 -0.085 0.000 1.377 754 H HN 0.285 nan 8.280 nan 0.000 0.504 755 M N -0.965 118.589 119.600 -0.077 0.000 2.086 755 M HA -0.179 4.301 4.480 0.000 0.000 0.261 755 M C 2.506 178.921 176.300 0.192 0.000 1.067 755 M CA 1.650 56.905 55.300 -0.076 0.000 1.116 755 M CB -0.085 32.232 32.600 -0.472 0.000 1.348 755 M HN 0.172 nan 8.290 nan 0.000 0.407 756 S N -0.379 115.469 115.700 0.247 0.000 2.368 756 S HA -0.204 4.266 4.470 0.000 0.000 0.226 756 S C 1.725 176.380 174.600 0.091 0.000 1.044 756 S CA 1.329 59.716 58.200 0.311 0.000 1.062 756 S CB -0.816 62.525 63.200 0.235 0.000 0.931 756 S HN 0.457 nan 8.310 nan 0.000 0.440 757 H N -0.078 119.044 119.070 0.087 0.000 2.319 757 H HA -0.106 4.450 4.556 0.000 0.000 0.297 757 H C 2.029 177.357 175.328 -0.001 0.000 1.097 757 H CA 1.582 57.637 56.048 0.011 0.000 1.285 757 H CB -0.900 28.821 29.762 -0.069 0.000 1.368 757 H HN 0.451 nan 8.280 nan 0.000 0.495 758 F N 1.320 121.249 119.950 -0.034 0.000 2.065 758 F HA -0.232 4.295 4.527 0.000 0.000 0.298 758 F C 2.439 178.196 175.800 -0.072 0.000 1.112 758 F CA 1.115 59.071 58.000 -0.073 0.000 1.212 758 F CB -0.381 38.558 39.000 -0.101 0.000 0.975 758 F HN -0.018 nan 8.300 nan 0.000 0.476 759 I N 0.719 121.291 120.570 0.003 0.000 2.226 759 I HA -0.262 3.908 4.170 0.000 0.000 0.245 759 I C 2.278 178.191 176.117 -0.340 0.000 1.100 759 I CA 1.430 62.571 61.300 -0.266 0.000 1.374 759 I CB -1.133 36.803 38.000 -0.108 0.000 1.057 759 I HN 0.225 nan 8.210 nan 0.000 0.413 760 K N 0.308 120.653 120.400 -0.092 0.000 2.009 760 K HA -0.239 4.081 4.320 0.000 0.000 0.210 760 K C 1.947 178.531 176.600 -0.026 0.000 1.049 760 K CA 1.318 57.605 56.287 0.001 0.000 0.929 760 K CB -0.514 32.032 32.500 0.078 0.000 0.714 760 K HN 0.403 nan 8.250 nan 0.000 0.440 761 Q N 1.528 121.281 119.800 -0.079 0.000 2.170 761 Q HA -0.172 4.168 4.340 0.000 0.000 0.203 761 Q C 2.141 178.047 176.000 -0.157 0.000 0.976 761 Q CA 1.536 57.282 55.803 -0.095 0.000 0.858 761 Q CB -0.547 28.133 28.738 -0.097 0.000 0.907 761 Q HN 0.373 nan 8.270 nan 0.000 0.433 762 c N 0.041 118.442 118.600 -0.332 0.000 2.450 762 c HA 0.002 4.572 4.570 0.000 0.000 0.279 762 c C 1.997 176.075 174.090 -0.020 0.000 1.335 762 c CA 0.180 56.309 56.329 -0.334 0.000 1.749 762 c CB -1.208 40.916 42.510 -0.644 0.000 1.963 762 c HN 0.520 nan 8.230 nan 0.000 0.501 763 F N 1.712 121.619 119.950 -0.072 0.000 2.727 763 F HA 0.238 4.765 4.527 0.000 0.000 0.302 763 F C 1.632 177.417 175.800 -0.026 0.000 1.097 763 F CA 0.433 58.414 58.000 -0.031 0.000 1.330 763 F CB -0.983 38.008 39.000 -0.016 0.000 1.084 763 F HN 0.233 nan 8.300 nan 0.000 0.578 764 S N 0.564 116.347 115.700 0.138 0.000 3.698 764 S HA -0.199 4.272 4.470 0.000 0.000 0.338 764 S C -0.182 174.463 174.600 0.075 0.000 1.089 764 S CA -0.104 58.141 58.200 0.075 0.000 0.991 764 S CB -2.191 61.042 63.200 0.055 0.000 0.909 764 S HN 0.086 nan 8.310 nan 0.000 0.485 765 L N 2.561 123.841 121.223 0.095 0.000 2.307 765 L HA 0.603 4.943 4.340 0.000 0.000 0.282 765 L C -0.811 176.100 176.870 0.069 0.000 1.051 765 L CA -1.466 53.423 54.840 0.083 0.000 0.804 765 L CB 0.070 42.195 42.059 0.110 0.000 1.197 765 L HN 0.069 nan 8.230 nan 0.000 0.431 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.136 63.100 0.061 0.000 0.800 766 P CB 0.000 31.728 31.700 0.047 0.000 0.726