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 2iiv_1_B DATA FIRST_RESID 39 DATA SEQUENCE TRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.742 174.700 0.069 0.000 1.109 39 T CA 0.000 62.130 62.100 0.051 0.000 1.349 39 T CB 0.000 68.893 68.868 0.041 0.000 0.612 40 R N 1.743 122.286 120.500 0.071 0.000 1.709 40 R HA -0.115 4.223 4.340 -0.004 0.000 0.388 40 R C 0.142 176.498 176.300 0.094 0.000 1.255 40 R CA 0.494 56.644 56.100 0.082 0.000 1.080 40 R CB -0.399 29.953 30.300 0.086 0.000 3.200 40 R HN 0.849 nan 8.270 nan 0.000 0.488 41 K N 0.688 121.149 120.400 0.102 0.000 2.234 41 K HA 0.260 4.578 4.320 -0.004 0.000 0.251 41 K C 0.590 177.267 176.600 0.128 0.000 1.011 41 K CA 0.135 56.491 56.287 0.115 0.000 0.889 41 K CB 0.452 33.030 32.500 0.130 0.000 1.011 41 K HN 0.588 nan 8.250 nan 0.000 0.505 42 T N -2.555 112.085 114.554 0.143 0.000 2.919 42 T HA 0.179 4.527 4.350 -0.004 0.000 0.282 42 T C -0.853 173.987 174.700 0.233 0.000 1.020 42 T CA -0.837 61.361 62.100 0.163 0.000 0.994 42 T CB 0.560 69.516 68.868 0.147 0.000 1.180 42 T HN 0.529 nan 8.240 nan 0.000 0.566 43 Y N 2.552 122.930 120.300 0.130 0.000 2.539 43 Y HA 0.389 4.937 4.550 -0.004 0.000 0.352 43 Y C 0.890 176.956 175.900 0.277 0.000 1.004 43 Y CA -0.319 57.899 58.100 0.198 0.000 1.278 43 Y CB -0.204 38.333 38.460 0.127 0.000 1.136 43 Y HN 0.991 nan 8.280 nan 0.000 0.528 44 T N 2.340 116.898 114.554 0.006 0.000 2.881 44 T HA 0.157 4.505 4.350 -0.004 0.000 0.278 44 T C 0.978 175.559 174.700 -0.198 0.000 0.982 44 T CA -0.774 61.368 62.100 0.070 0.000 0.989 44 T CB 1.301 70.177 68.868 0.014 0.000 1.058 44 T HN 0.676 nan 8.240 nan 0.000 0.529 45 L N 1.129 122.034 121.223 -0.530 0.000 2.042 45 L HA -0.013 4.324 4.340 -0.004 0.000 0.210 45 L C 2.597 179.304 176.870 -0.271 0.000 1.076 45 L CA 2.194 56.606 54.840 -0.713 0.000 0.749 45 L CB -1.445 40.068 42.059 -0.909 0.000 0.893 45 L HN 0.960 nan 8.230 nan 0.000 0.432 46 T N -0.746 113.677 114.554 -0.218 0.000 2.788 46 T HA -0.164 4.184 4.350 -0.004 0.000 0.268 46 T C 1.512 176.111 174.700 -0.168 0.000 1.044 46 T CA 1.382 63.389 62.100 -0.154 0.000 1.139 46 T CB -0.427 68.372 68.868 -0.114 0.000 0.867 46 T HN 0.395 nan 8.240 nan 0.000 0.454 47 D N 0.214 120.473 120.400 -0.235 0.000 2.104 47 D HA -0.099 4.539 4.640 -0.004 0.000 0.194 47 D C 1.763 177.946 176.300 -0.195 0.000 0.994 47 D CA 1.101 54.918 54.000 -0.305 0.000 0.830 47 D CB -0.408 40.082 40.800 -0.516 0.000 0.959 47 D HN 0.419 nan 8.370 nan 0.000 0.452 48 Y N 1.458 121.565 120.300 -0.322 0.000 2.163 48 Y HA -0.100 4.448 4.550 -0.003 0.000 0.288 48 Y C 2.167 178.076 175.900 0.015 0.000 1.136 48 Y CA 1.249 59.346 58.100 -0.006 0.000 1.147 48 Y CB -0.565 37.963 38.460 0.114 0.000 0.987 48 Y HN -0.091 nan 8.280 nan 0.000 0.509 49 L N -0.061 121.017 121.223 -0.241 0.000 2.291 49 L HA -0.122 4.216 4.340 -0.004 0.000 0.214 49 L C 1.818 178.593 176.870 -0.159 0.000 1.120 49 L CA 1.034 55.707 54.840 -0.278 0.000 0.799 49 L CB -0.372 41.582 42.059 -0.174 0.000 0.925 49 L HN 0.075 nan 8.230 nan 0.000 0.446 50 K N -0.414 119.908 120.400 -0.131 0.000 2.353 50 K HA 0.081 4.399 4.320 -0.004 0.000 0.195 50 K C 0.185 176.734 176.600 -0.086 0.000 1.031 50 K CA -0.065 56.163 56.287 -0.098 0.000 1.079 50 K CB -0.067 32.373 32.500 -0.099 0.000 0.857 50 K HN 0.245 nan 8.250 nan 0.000 0.535 51 N N 1.975 120.633 118.700 -0.071 0.000 2.727 51 N HA -0.215 4.523 4.740 -0.004 0.000 0.251 51 N C 0.645 176.135 175.510 -0.033 0.000 1.040 51 N CA 0.425 53.473 53.050 -0.004 0.000 0.712 51 N CB -0.390 38.091 38.487 -0.011 0.000 0.912 51 N HN 0.364 nan 8.380 nan 0.000 0.545 52 T N -2.565 111.911 114.554 -0.130 0.000 2.821 52 T HA -0.156 4.192 4.350 -0.004 0.000 0.267 52 T C 0.697 175.226 174.700 -0.286 0.000 1.046 52 T CA 1.089 63.017 62.100 -0.286 0.000 1.139 52 T CB -0.195 68.364 68.868 -0.515 0.000 0.871 52 T HN 0.331 nan 8.240 nan 0.000 0.454 53 Y N 2.365 122.746 120.300 0.135 0.000 2.650 53 Y HA 0.613 5.161 4.550 -0.003 0.000 0.343 53 Y C 0.634 176.633 175.900 0.166 0.000 1.078 53 Y CA -1.632 56.572 58.100 0.174 0.000 1.356 53 Y CB 0.061 38.685 38.460 0.274 0.000 1.204 53 Y HN 0.046 nan 8.280 nan 0.000 0.508 54 R N 2.055 122.685 120.500 0.217 0.000 2.438 54 R HA 0.370 4.708 4.340 -0.004 0.000 0.287 54 R C -1.136 175.269 176.300 0.175 0.000 1.077 54 R CA -0.491 55.706 56.100 0.161 0.000 1.034 54 R CB 0.339 30.695 30.300 0.094 0.000 0.993 54 R HN 0.533 nan 8.270 nan 0.000 0.459 55 L N 3.979 125.303 121.223 0.167 0.000 2.275 55 L HA 0.364 4.702 4.340 -0.004 0.000 0.288 55 L C -0.457 176.488 176.870 0.125 0.000 1.046 55 L CA 0.177 55.118 54.840 0.169 0.000 0.805 55 L CB 1.083 43.262 42.059 0.199 0.000 1.193 55 L HN 0.560 nan 8.230 nan 0.000 0.426 56 K N 4.661 125.130 120.400 0.115 0.000 2.110 56 K HA 0.674 4.992 4.320 -0.004 0.000 0.263 56 K C -0.878 175.756 176.600 0.057 0.000 0.975 56 K CA -0.663 55.667 56.287 0.072 0.000 0.895 56 K CB 1.583 34.120 32.500 0.062 0.000 1.060 56 K HN 0.473 nan 8.250 nan 0.000 0.448 57 L N -0.964 120.209 121.223 -0.082 0.000 2.170 57 L HA 0.598 4.936 4.340 -0.004 0.000 0.247 57 L C -1.120 175.426 176.870 -0.540 0.000 1.078 57 L CA -0.957 53.634 54.840 -0.414 0.000 0.936 57 L CB 0.473 42.464 42.059 -0.114 0.000 1.528 57 L HN 0.535 nan 8.230 nan 0.000 0.455 58 Y N -0.062 119.646 120.300 -0.987 0.000 2.484 58 Y HA 0.602 5.149 4.550 -0.003 0.000 0.348 58 Y C -1.014 174.739 175.900 -0.246 0.000 1.103 58 Y CA -0.403 57.393 58.100 -0.506 0.000 1.317 58 Y CB 1.252 39.307 38.460 -0.676 0.000 1.096 58 Y HN 0.640 nan 8.280 nan 0.000 0.568 59 S N 6.061 121.705 115.700 -0.094 0.000 2.439 59 S HA 0.569 5.037 4.470 -0.004 0.000 0.282 59 S C -0.629 173.942 174.600 -0.049 0.000 1.170 59 S CA -0.537 57.639 58.200 -0.041 0.000 1.054 59 S CB 0.025 63.195 63.200 -0.049 0.000 0.956 59 S HN 0.552 nan 8.310 nan 0.000 0.490 60 L N 1.405 122.566 121.223 -0.104 0.000 2.303 60 L HA 0.788 5.125 4.340 -0.004 0.000 0.266 60 L C -0.333 176.426 176.870 -0.185 0.000 1.011 60 L CA -0.969 53.749 54.840 -0.204 0.000 0.818 60 L CB 0.932 42.561 42.059 -0.717 0.000 1.326 60 L HN 0.368 nan 8.230 nan 0.000 0.435 61 R N 0.798 121.227 120.500 -0.119 0.000 2.435 61 R HA 0.371 4.708 4.340 -0.004 0.000 0.308 61 R C -1.736 174.573 176.300 0.015 0.000 0.975 61 R CA -0.316 55.770 56.100 -0.025 0.000 0.867 61 R CB 1.160 31.485 30.300 0.041 0.000 1.171 61 R HN 0.671 nan 8.270 nan 0.000 0.470 62 W N 4.247 125.642 121.300 0.158 0.000 2.251 62 W HA 0.132 4.790 4.660 -0.003 0.000 0.327 62 W C 1.563 178.156 176.519 0.124 0.000 1.361 62 W CA -0.383 57.069 57.345 0.179 0.000 1.234 62 W CB 0.492 30.051 29.460 0.166 0.000 1.212 62 W HN 0.652 nan 8.180 nan 0.000 0.557 63 I N 0.333 121.104 120.570 0.335 0.000 4.154 63 I HA 0.343 4.511 4.170 -0.004 0.000 0.334 63 I C 0.531 176.740 176.117 0.154 0.000 1.371 63 I CA -0.115 61.293 61.300 0.181 0.000 1.110 63 I CB -0.122 37.927 38.000 0.081 0.000 1.085 63 I HN 0.267 nan 8.210 nan 0.000 0.398 64 S N -0.643 115.179 115.700 0.204 0.000 2.714 64 S HA 0.255 4.723 4.470 -0.004 0.000 0.280 64 S C -0.221 174.425 174.600 0.076 0.000 1.200 64 S CA -0.204 58.036 58.200 0.067 0.000 0.900 64 S CB 1.221 64.364 63.200 -0.095 0.000 1.235 64 S HN 0.051 nan 8.310 nan 0.000 0.512 65 D N 0.171 120.535 120.400 -0.059 0.000 2.349 65 D HA 0.147 4.785 4.640 -0.004 0.000 0.224 65 D C 0.978 177.403 176.300 0.209 0.000 1.029 65 D CA 1.117 55.132 54.000 0.024 0.000 0.879 65 D CB -0.055 40.794 40.800 0.080 0.000 0.906 65 D HN 0.667 nan 8.370 nan 0.000 0.528 66 H N -2.581 116.701 119.070 0.353 0.000 3.334 66 H HA 0.384 4.938 4.556 -0.004 0.000 0.256 66 H C -0.466 175.067 175.328 0.342 0.000 1.162 66 H CA -0.381 55.905 56.048 0.397 0.000 1.030 66 H CB 0.012 29.994 29.762 0.365 0.000 2.151 66 H HN 0.009 nan 8.280 nan 0.000 0.742 67 E N 1.262 121.682 120.200 0.366 0.000 2.340 67 E HA 0.400 4.748 4.350 -0.004 0.000 0.273 67 E C -1.617 175.181 176.600 0.331 0.000 0.891 67 E CA -1.136 55.414 56.400 0.251 0.000 0.757 67 E CB 3.186 32.968 29.700 0.137 0.000 1.231 67 E HN 0.292 nan 8.360 nan 0.000 0.439 68 Y N -0.688 119.648 120.300 0.060 0.000 2.588 68 Y HA 0.603 5.151 4.550 -0.004 0.000 0.343 68 Y C -1.617 174.279 175.900 -0.006 0.000 1.065 68 Y CA -1.296 56.730 58.100 -0.124 0.000 1.038 68 Y CB 0.819 38.873 38.460 -0.677 0.000 1.297 68 Y HN 0.327 nan 8.280 nan 0.000 0.467 69 L N 3.010 124.369 121.223 0.227 0.000 2.325 69 L HA 0.501 4.839 4.340 -0.004 0.000 0.279 69 L C -1.308 175.769 176.870 0.344 0.000 1.054 69 L CA -0.967 53.980 54.840 0.179 0.000 0.804 69 L CB 1.502 43.570 42.059 0.014 0.000 1.200 69 L HN 0.781 nan 8.230 nan 0.000 0.436 70 Y N 2.178 122.589 120.300 0.184 0.000 2.433 70 Y HA 0.288 4.836 4.550 -0.004 0.000 0.337 70 Y C -0.642 175.292 175.900 0.057 0.000 1.026 70 Y CA -1.205 56.943 58.100 0.080 0.000 1.037 70 Y CB 1.713 40.239 38.460 0.110 0.000 1.245 70 Y HN 0.412 nan 8.280 nan 0.000 0.443 71 K N 4.968 124.997 120.400 -0.618 0.000 2.250 71 K HA 0.204 4.522 4.320 -0.004 0.000 0.280 71 K C -0.697 175.580 176.600 -0.539 0.000 1.098 71 K CA -0.298 55.737 56.287 -0.419 0.000 0.916 71 K CB 0.513 32.845 32.500 -0.280 0.000 1.209 71 K HN 0.729 nan 8.250 nan 0.000 0.461 72 Q N 4.400 124.066 119.800 -0.224 0.000 2.509 72 Q HA 0.046 4.384 4.340 -0.004 0.000 0.236 72 Q C -1.051 174.915 176.000 -0.056 0.000 1.073 72 Q CA -0.232 55.520 55.803 -0.085 0.000 0.867 72 Q CB 0.585 29.403 28.738 0.134 0.000 1.181 72 Q HN 0.545 nan 8.270 nan 0.000 0.526 73 E N 2.856 123.007 120.200 -0.080 0.000 2.313 73 E HA -0.289 4.058 4.350 -0.004 0.000 0.190 73 E C -0.317 176.250 176.600 -0.056 0.000 1.406 73 E CA 1.066 57.434 56.400 -0.053 0.000 0.668 73 E CB -2.149 27.537 29.700 -0.023 0.000 1.135 73 E HN 1.126 nan 8.360 nan 0.000 0.375 74 N N -1.084 117.574 118.700 -0.071 0.000 2.900 74 N HA -0.269 4.469 4.740 -0.004 0.000 0.240 74 N C -0.318 175.149 175.510 -0.072 0.000 0.953 74 N CA 1.432 54.444 53.050 -0.062 0.000 0.950 74 N CB -0.725 37.737 38.487 -0.043 0.000 1.102 74 N HN 0.602 nan 8.380 nan 0.000 0.593 75 N N 0.878 119.530 118.700 -0.080 0.000 2.240 75 N HA 0.516 5.254 4.740 -0.004 0.000 0.302 75 N C -0.859 174.600 175.510 -0.086 0.000 1.106 75 N CA -0.585 52.415 53.050 -0.082 0.000 0.778 75 N CB 1.060 39.508 38.487 -0.065 0.000 1.431 75 N HN 0.073 nan 8.380 nan 0.000 0.479 76 I N 1.212 121.727 120.570 -0.091 0.000 2.352 76 I HA 0.175 4.343 4.170 -0.004 0.000 0.290 76 I C -0.527 175.620 176.117 0.049 0.000 1.036 76 I CA -0.675 60.581 61.300 -0.073 0.000 1.336 76 I CB 0.335 38.226 38.000 -0.181 0.000 1.407 76 I HN 0.244 nan 8.210 nan 0.000 0.497 77 L N 7.295 128.565 121.223 0.079 0.000 2.334 77 L HA 0.518 4.856 4.340 -0.004 0.000 0.272 77 L C -0.176 176.764 176.870 0.117 0.000 1.020 77 L CA -0.606 54.286 54.840 0.086 0.000 0.812 77 L CB 1.752 43.854 42.059 0.072 0.000 1.264 77 L HN 0.293 nan 8.230 nan 0.000 0.439 78 V N 2.837 122.768 119.914 0.029 0.000 2.417 78 V HA 0.558 4.675 4.120 -0.004 0.000 0.291 78 V C -1.001 174.992 176.094 -0.168 0.000 1.024 78 V CA -0.321 61.995 62.300 0.025 0.000 0.861 78 V CB 1.176 33.097 31.823 0.163 0.000 0.985 78 V HN 0.503 nan 8.190 nan 0.000 0.436 79 F N 5.236 124.955 119.950 -0.385 0.000 2.480 79 F HA 0.496 5.021 4.527 -0.003 0.000 0.329 79 F C 0.520 176.052 175.800 -0.447 0.000 1.091 79 F CA -0.504 57.166 58.000 -0.550 0.000 0.972 79 F CB 1.734 40.027 39.000 -1.178 0.000 1.150 79 F HN 0.504 nan 8.300 nan 0.000 0.467 80 N N 2.327 121.001 118.700 -0.043 0.000 2.462 80 N HA 0.226 4.963 4.740 -0.004 0.000 0.242 80 N C 0.545 176.028 175.510 -0.044 0.000 1.010 80 N CA 0.125 53.188 53.050 0.021 0.000 0.939 80 N CB 1.641 40.189 38.487 0.101 0.000 1.127 80 N HN 0.830 nan 8.380 nan 0.000 0.509 81 A N 4.025 126.789 122.820 -0.093 0.000 1.892 81 A HA -0.250 4.068 4.320 -0.004 0.000 0.218 81 A C 1.919 179.257 177.584 -0.410 0.000 1.188 81 A CA 1.977 53.878 52.037 -0.228 0.000 0.631 81 A CB -0.665 18.055 19.000 -0.468 0.000 0.822 81 A HN 0.820 nan 8.150 nan 0.000 0.447 82 E N -1.065 118.814 120.200 -0.535 0.000 2.065 82 E HA -0.229 4.119 4.350 -0.004 0.000 0.201 82 E C 1.446 177.678 176.600 -0.613 0.000 1.016 82 E CA 2.263 58.314 56.400 -0.581 0.000 0.818 82 E CB -0.385 28.852 29.700 -0.772 0.000 0.749 82 E HN 0.788 nan 8.360 nan 0.000 0.453 83 Y N -2.365 117.924 120.300 -0.018 0.000 2.442 83 Y HA 0.340 4.888 4.550 -0.004 0.000 0.250 83 Y C 1.553 177.457 175.900 0.008 0.000 1.113 83 Y CA -0.067 58.031 58.100 -0.003 0.000 1.273 83 Y CB 1.188 39.646 38.460 -0.003 0.000 1.138 83 Y HN 0.239 nan 8.280 nan 0.000 0.522 84 G N 1.276 110.143 108.800 0.112 0.000 2.184 84 G HA2 -0.334 3.624 3.960 -0.004 0.000 0.264 84 G HA3 -0.334 3.624 3.960 -0.004 0.000 0.264 84 G C 0.033 175.051 174.900 0.196 0.000 0.975 84 G CA 0.314 45.510 45.100 0.161 0.000 0.642 84 G HN 0.475 nan 8.290 nan 0.000 0.536 85 N N 0.462 119.234 118.700 0.120 0.000 2.483 85 N HA 0.624 5.361 4.740 -0.004 0.000 0.269 85 N C 0.202 175.621 175.510 -0.152 0.000 1.209 85 N CA 0.658 53.711 53.050 0.004 0.000 0.969 85 N CB 1.691 40.188 38.487 0.016 0.000 1.173 85 N HN 0.882 nan 8.380 nan 0.000 0.475 86 S N -0.071 115.440 115.700 -0.315 0.000 2.903 86 S HA 0.799 5.267 4.470 -0.004 0.000 0.314 86 S C -0.858 173.564 174.600 -0.298 0.000 1.177 86 S CA -0.735 57.161 58.200 -0.508 0.000 0.859 86 S CB 1.393 63.837 63.200 -1.259 0.000 1.265 86 S HN 0.692 nan 8.310 nan 0.000 0.584 87 S N -0.698 114.836 115.700 -0.276 0.000 2.587 87 S HA 0.504 4.972 4.470 -0.004 0.000 0.269 87 S C -1.446 173.092 174.600 -0.103 0.000 1.154 87 S CA -0.722 57.389 58.200 -0.149 0.000 0.824 87 S CB 1.420 64.567 63.200 -0.090 0.000 1.118 87 S HN 0.789 nan 8.310 nan 0.000 0.462 88 V N 2.779 122.650 119.914 -0.073 0.000 2.470 88 V HA 0.224 4.342 4.120 -0.004 0.000 0.276 88 V C 0.442 176.533 176.094 -0.005 0.000 1.040 88 V CA 0.267 62.545 62.300 -0.038 0.000 1.008 88 V CB 0.333 32.119 31.823 -0.062 0.000 0.990 88 V HN 0.914 nan 8.190 nan 0.000 0.477 89 F N 5.479 125.376 119.950 -0.088 0.000 2.262 89 F HA 0.365 4.890 4.527 -0.003 0.000 0.292 89 F C 0.513 176.261 175.800 -0.086 0.000 1.081 89 F CA 0.739 58.697 58.000 -0.070 0.000 1.355 89 F CB 0.559 39.529 39.000 -0.049 0.000 1.069 89 F HN 0.353 nan 8.300 nan 0.000 0.506 90 L N 1.089 122.373 121.223 0.102 0.000 2.611 90 L HA 0.245 4.583 4.340 -0.004 0.000 0.263 90 L C -0.585 176.233 176.870 -0.087 0.000 0.969 90 L CA -0.529 54.293 54.840 -0.031 0.000 0.894 90 L CB 1.121 43.213 42.059 0.054 0.000 1.229 90 L HN 0.050 nan 8.230 nan 0.000 0.416 91 E N 1.567 121.687 120.200 -0.134 0.000 2.413 91 E HA -0.041 4.307 4.350 -0.004 0.000 0.263 91 E C 0.773 177.285 176.600 -0.147 0.000 1.015 91 E CA 0.271 56.594 56.400 -0.128 0.000 0.916 91 E CB 0.837 30.457 29.700 -0.132 0.000 0.947 91 E HN 0.699 nan 8.360 nan 0.000 0.440 92 N N 1.573 120.210 118.700 -0.105 0.000 2.430 92 N HA -0.240 4.498 4.740 -0.004 0.000 0.186 92 N C 1.159 176.610 175.510 -0.099 0.000 1.032 92 N CA 1.458 54.456 53.050 -0.087 0.000 0.893 92 N CB -0.085 38.366 38.487 -0.061 0.000 0.957 92 N HN 0.319 nan 8.380 nan 0.000 0.442 93 S N -2.463 113.159 115.700 -0.130 0.000 2.575 93 S HA 0.114 4.582 4.470 -0.004 0.000 0.215 93 S C 1.290 175.751 174.600 -0.232 0.000 0.966 93 S CA -0.147 57.973 58.200 -0.134 0.000 0.911 93 S CB -0.598 62.538 63.200 -0.106 0.000 0.780 93 S HN 0.215 nan 8.310 nan 0.000 0.514 94 T N 1.609 115.930 114.554 -0.389 0.000 2.833 94 T HA 0.071 4.419 4.350 -0.004 0.000 0.269 94 T C -0.144 173.937 174.700 -1.032 0.000 1.054 94 T CA 1.102 62.734 62.100 -0.781 0.000 1.135 94 T CB -0.386 67.800 68.868 -1.138 0.000 0.869 94 T HN 0.574 nan 8.240 nan 0.000 0.466 95 F N 1.172 121.027 119.950 -0.159 0.000 2.597 95 F HA 0.399 4.924 4.527 -0.003 0.000 0.336 95 F C 0.664 176.456 175.800 -0.015 0.000 1.432 95 F CA -1.394 56.538 58.000 -0.114 0.000 1.120 95 F CB 0.398 39.240 39.000 -0.262 0.000 1.253 95 F HN -0.048 nan 8.300 nan 0.000 0.546 96 D N 0.061 120.503 120.400 0.070 0.000 2.201 96 D HA -0.069 4.569 4.640 -0.004 0.000 0.209 96 D C 1.429 177.774 176.300 0.075 0.000 0.961 96 D CA 1.029 55.064 54.000 0.058 0.000 0.861 96 D CB 0.294 41.096 40.800 0.003 0.000 0.997 96 D HN 0.278 nan 8.370 nan 0.000 0.486 97 E N -0.215 120.033 120.200 0.080 0.000 2.394 97 E HA 0.058 4.406 4.350 -0.004 0.000 0.191 97 E C 0.839 177.497 176.600 0.096 0.000 1.044 97 E CA -0.333 56.099 56.400 0.055 0.000 0.939 97 E CB -0.437 29.279 29.700 0.027 0.000 1.089 97 E HN 0.027 nan 8.360 nan 0.000 0.456 98 F N 0.216 120.172 119.950 0.011 0.000 2.365 98 F HA 0.063 4.587 4.527 -0.004 0.000 0.300 98 F C 1.744 177.467 175.800 -0.129 0.000 1.090 98 F CA 1.626 59.626 58.000 0.001 0.000 1.408 98 F CB 0.052 39.073 39.000 0.036 0.000 1.060 98 F HN 0.177 nan 8.300 nan 0.000 0.534 99 G N -0.402 108.260 108.800 -0.231 0.000 2.159 99 G HA2 -0.249 3.709 3.960 -0.004 0.000 0.256 99 G HA3 -0.249 3.709 3.960 -0.004 0.000 0.256 99 G C 0.074 174.508 174.900 -0.777 0.000 0.977 99 G CA 0.419 45.221 45.100 -0.496 0.000 0.652 99 G HN 0.575 nan 8.290 nan 0.000 0.531 100 H N -0.953 118.022 119.070 -0.159 0.000 3.037 100 H HA 0.594 5.148 4.556 -0.003 0.000 0.355 100 H C -0.734 174.669 175.328 0.125 0.000 1.263 100 H CA -0.025 55.986 56.048 -0.062 0.000 1.129 100 H CB 1.392 30.965 29.762 -0.314 0.000 1.861 100 H HN 0.183 nan 8.280 nan 0.000 0.546 101 S N 1.699 117.551 115.700 0.254 0.000 2.430 101 S HA 0.328 4.796 4.470 -0.004 0.000 0.289 101 S C 0.139 174.838 174.600 0.166 0.000 1.143 101 S CA -0.693 57.607 58.200 0.168 0.000 1.067 101 S CB -0.659 62.610 63.200 0.114 0.000 0.964 101 S HN 0.365 nan 8.310 nan 0.000 0.485 102 I N 5.638 126.264 120.570 0.092 0.000 2.505 102 I HA 0.067 4.234 4.170 -0.004 0.000 0.287 102 I C 1.550 177.681 176.117 0.022 0.000 1.104 102 I CA -0.198 61.115 61.300 0.022 0.000 1.387 102 I CB 0.433 38.345 38.000 -0.146 0.000 1.404 102 I HN 0.717 nan 8.210 nan 0.000 0.528 103 N N 3.946 122.658 118.700 0.021 0.000 2.331 103 N HA -0.086 4.652 4.740 -0.004 0.000 0.180 103 N C -0.013 175.450 175.510 -0.077 0.000 1.019 103 N CA 1.089 54.101 53.050 -0.063 0.000 0.881 103 N CB 0.348 38.765 38.487 -0.117 0.000 0.972 103 N HN 0.693 nan 8.380 nan 0.000 0.435 104 D N -2.828 117.561 120.400 -0.017 0.000 2.755 104 D HA 0.142 4.780 4.640 -0.004 0.000 0.277 104 D C -1.723 174.637 176.300 0.099 0.000 1.261 104 D CA -0.529 53.478 54.000 0.011 0.000 0.759 104 D CB 0.456 41.216 40.800 -0.066 0.000 1.279 104 D HN 0.052 nan 8.370 nan 0.000 0.420 105 Y N -1.088 119.219 120.300 0.011 0.000 2.638 105 Y HA 0.799 5.347 4.550 -0.003 0.000 0.339 105 Y C -1.138 174.830 175.900 0.113 0.000 1.084 105 Y CA -0.978 57.148 58.100 0.044 0.000 1.068 105 Y CB 1.774 40.240 38.460 0.010 0.000 1.294 105 Y HN 0.183 nan 8.280 nan 0.000 0.480 106 S N 1.734 117.586 115.700 0.255 0.000 2.652 106 S HA 0.559 5.027 4.470 -0.004 0.000 0.273 106 S C -1.824 173.072 174.600 0.493 0.000 1.172 106 S CA -0.430 57.924 58.200 0.256 0.000 1.009 106 S CB 0.265 63.628 63.200 0.272 0.000 1.094 106 S HN 0.639 nan 8.310 nan 0.000 0.471 107 I N 4.501 125.259 120.570 0.313 0.000 2.428 107 I HA 0.308 4.476 4.170 -0.004 0.000 0.289 107 I C 0.942 176.918 176.117 -0.234 0.000 1.019 107 I CA 0.252 61.643 61.300 0.152 0.000 1.351 107 I CB 1.711 39.778 38.000 0.112 0.000 1.412 107 I HN 0.745 nan 8.210 nan 0.000 0.513 108 S N 6.234 121.475 115.700 -0.765 0.000 2.573 108 S HA 0.202 4.670 4.470 -0.004 0.000 0.277 108 S C -1.809 172.503 174.600 -0.481 0.000 1.346 108 S CA -0.830 56.541 58.200 -1.383 0.000 1.034 108 S CB 0.458 62.677 63.200 -1.634 0.000 0.879 108 S HN 0.448 nan 8.310 nan 0.000 0.528 109 P HA -0.172 nan 4.420 nan 0.000 0.217 109 P C 0.712 177.967 177.300 -0.075 0.000 1.151 109 P CA 1.729 64.756 63.100 -0.121 0.000 0.849 109 P CB -0.178 31.466 31.700 -0.093 0.000 0.787 110 D N -2.100 118.251 120.400 -0.082 0.000 2.319 110 D HA 0.093 4.731 4.640 -0.004 0.000 0.230 110 D C 1.386 177.691 176.300 0.008 0.000 1.094 110 D CA 0.427 54.420 54.000 -0.011 0.000 0.856 110 D CB -1.251 39.568 40.800 0.032 0.000 0.915 110 D HN 0.211 nan 8.370 nan 0.000 0.517 111 G N 0.450 109.247 108.800 -0.005 0.000 2.205 111 G HA2 -0.449 3.509 3.960 -0.004 0.000 0.269 111 G HA3 -0.449 3.509 3.960 -0.004 0.000 0.269 111 G C 1.014 175.923 174.900 0.014 0.000 0.977 111 G CA 0.769 45.910 45.100 0.068 0.000 0.652 111 G HN 0.483 nan 8.290 nan 0.000 0.539 112 Q N -1.608 118.154 119.800 -0.063 0.000 2.331 112 Q HA 0.345 4.683 4.340 -0.004 0.000 0.203 112 Q C 0.334 175.974 176.000 -0.601 0.000 0.944 112 Q CA 0.644 56.268 55.803 -0.298 0.000 0.892 112 Q CB 0.249 28.814 28.738 -0.287 0.000 0.983 112 Q HN 0.598 nan 8.270 nan 0.000 0.482 113 F N -0.892 119.003 119.950 -0.092 0.000 2.629 113 F HA 0.514 5.039 4.527 -0.004 0.000 0.316 113 F C -0.665 175.220 175.800 0.143 0.000 1.081 113 F CA -1.197 56.821 58.000 0.030 0.000 0.954 113 F CB 1.732 40.766 39.000 0.057 0.000 1.337 113 F HN -0.226 nan 8.300 nan 0.000 0.474 114 I N 2.564 123.468 120.570 0.555 0.000 2.499 114 I HA 0.483 4.651 4.170 -0.004 0.000 0.288 114 I C -1.835 174.617 176.117 0.558 0.000 1.048 114 I CA -1.025 60.592 61.300 0.530 0.000 1.062 114 I CB 1.559 39.824 38.000 0.442 0.000 1.238 114 I HN 0.532 nan 8.210 nan 0.000 0.426 115 L N 8.303 129.885 121.223 0.597 0.000 2.281 115 L HA 0.467 4.805 4.340 -0.004 0.000 0.285 115 L C -1.201 175.822 176.870 0.255 0.000 1.074 115 L CA 0.028 55.094 54.840 0.376 0.000 0.817 115 L CB 0.867 43.064 42.059 0.230 0.000 1.168 115 L HN 0.498 nan 8.230 nan 0.000 0.434 116 L N 5.342 126.655 121.223 0.150 0.000 2.272 116 L HA 0.476 4.814 4.340 -0.004 0.000 0.289 116 L C -0.033 176.912 176.870 0.125 0.000 1.032 116 L CA -0.401 54.441 54.840 0.003 0.000 0.810 116 L CB 1.437 43.270 42.059 -0.377 0.000 1.205 116 L HN 0.625 nan 8.230 nan 0.000 0.422 117 E N 4.037 124.276 120.200 0.065 0.000 2.175 117 E HA 0.462 4.810 4.350 -0.004 0.000 0.278 117 E C -1.568 175.029 176.600 -0.005 0.000 0.969 117 E CA -0.480 55.826 56.400 -0.157 0.000 0.796 117 E CB 1.182 30.834 29.700 -0.080 0.000 1.104 117 E HN 0.440 nan 8.360 nan 0.000 0.395 118 Y N 1.418 121.548 120.300 -0.283 0.000 2.728 118 Y HA 0.431 4.980 4.550 -0.003 0.000 0.330 118 Y C -0.162 175.640 175.900 -0.163 0.000 1.234 118 Y CA -1.632 56.386 58.100 -0.137 0.000 1.070 118 Y CB 0.356 38.804 38.460 -0.021 0.000 1.300 118 Y HN 0.533 nan 8.280 nan 0.000 0.467 119 N N -0.488 118.202 118.700 -0.017 0.000 2.735 119 N HA -0.299 4.439 4.740 -0.004 0.000 0.248 119 N C -0.939 174.525 175.510 -0.076 0.000 1.083 119 N CA 1.023 54.013 53.050 -0.099 0.000 0.703 119 N CB -1.560 36.752 38.487 -0.291 0.000 1.005 119 N HN 0.853 nan 8.380 nan 0.000 0.550 120 Y N 0.281 120.498 120.300 -0.139 0.000 2.721 120 Y HA 0.233 4.781 4.550 -0.004 0.000 0.329 120 Y C 0.054 175.910 175.900 -0.074 0.000 1.211 120 Y CA 0.101 58.117 58.100 -0.139 0.000 1.512 120 Y CB 0.646 38.981 38.460 -0.208 0.000 1.249 120 Y HN -0.011 nan 8.280 nan 0.000 0.549 121 V N 8.223 127.775 119.914 -0.602 0.000 2.419 121 V HA 0.179 4.297 4.120 -0.004 0.000 0.287 121 V C -0.215 175.487 176.094 -0.653 0.000 1.017 121 V CA -1.404 60.602 62.300 -0.490 0.000 0.844 121 V CB 1.122 32.806 31.823 -0.232 0.000 1.011 121 V HN 0.757 nan 8.190 nan 0.000 0.429 122 K N 3.754 123.728 120.400 -0.710 0.000 2.485 122 K HA 0.143 4.461 4.320 -0.004 0.000 0.277 122 K C 0.406 176.838 176.600 -0.279 0.000 0.990 122 K CA 0.404 56.454 56.287 -0.396 0.000 0.994 122 K CB 1.062 33.526 32.500 -0.061 0.000 0.906 122 K HN 0.809 nan 8.250 nan 0.000 0.488 123 Q N 2.876 122.502 119.800 -0.290 0.000 2.653 123 Q HA 0.169 4.507 4.340 -0.004 0.000 0.212 123 Q C 0.053 175.807 176.000 -0.410 0.000 0.951 123 Q CA -0.406 55.039 55.803 -0.596 0.000 0.535 123 Q CB 0.117 28.333 28.738 -0.869 0.000 3.737 123 Q HN 0.744 nan 8.270 nan 0.000 0.401 124 W N 0.207 121.492 121.300 -0.026 0.000 1.756 124 W HA 0.298 4.956 4.660 -0.003 0.000 0.638 124 W C 1.897 178.388 176.519 -0.047 0.000 1.472 124 W CA -0.496 56.859 57.345 0.017 0.000 1.437 124 W CB -0.229 29.200 29.460 -0.053 0.000 3.368 124 W HN 0.341 nan 8.180 nan 0.000 0.771 125 R N -0.584 119.991 120.500 0.126 0.000 2.075 125 R HA -0.136 4.202 4.340 -0.004 0.000 0.232 125 R C 1.778 177.875 176.300 -0.338 0.000 1.126 125 R CA 2.008 58.000 56.100 -0.181 0.000 0.963 125 R CB -0.531 29.524 30.300 -0.408 0.000 0.858 125 R HN 0.453 nan 8.270 nan 0.000 0.435 126 H N -0.915 118.218 119.070 0.105 0.000 2.788 126 H HA 0.225 4.778 4.556 -0.004 0.000 0.262 126 H C 0.400 175.798 175.328 0.117 0.000 0.968 126 H CA 0.526 56.655 56.048 0.136 0.000 1.218 126 H CB 0.230 30.047 29.762 0.091 0.000 1.443 126 H HN 0.230 nan 8.280 nan 0.000 0.478 127 S N 1.314 116.986 115.700 -0.047 0.000 2.592 127 S HA 0.385 4.853 4.470 -0.004 0.000 0.271 127 S C -0.316 174.139 174.600 -0.242 0.000 1.326 127 S CA -0.488 57.400 58.200 -0.519 0.000 1.024 127 S CB 0.800 63.146 63.200 -1.423 0.000 0.921 127 S HN 0.445 nan 8.310 nan 0.000 0.527 128 Y N -2.203 117.957 120.300 -0.233 0.000 2.741 128 Y HA 0.671 5.219 4.550 -0.003 0.000 0.339 128 Y C -0.824 175.048 175.900 -0.046 0.000 1.226 128 Y CA -0.895 57.065 58.100 -0.234 0.000 1.072 128 Y CB 0.488 38.772 38.460 -0.294 0.000 1.331 128 Y HN 0.891 nan 8.280 nan 0.000 0.453 129 T N -0.147 114.473 114.554 0.110 0.000 2.924 129 T HA 1.027 5.375 4.350 -0.004 0.000 0.291 129 T C -0.514 174.283 174.700 0.163 0.000 1.045 129 T CA -0.177 62.006 62.100 0.139 0.000 1.015 129 T CB 1.819 70.713 68.868 0.042 0.000 1.103 129 T HN 1.911 nan 8.240 nan 0.000 0.496 130 A N 0.788 123.678 122.820 0.117 0.000 2.564 130 A HA 0.780 5.098 4.320 -0.004 0.000 0.291 130 A C -0.614 176.746 177.584 -0.373 0.000 1.102 130 A CA -0.971 50.972 52.037 -0.157 0.000 0.660 130 A CB 1.010 19.886 19.000 -0.207 0.000 1.283 130 A HN 0.862 nan 8.150 nan 0.000 0.430 131 S N -0.802 114.428 115.700 -0.784 0.000 2.651 131 S HA 0.840 5.308 4.470 -0.004 0.000 0.291 131 S C -1.514 172.412 174.600 -1.124 0.000 1.141 131 S CA -0.076 57.585 58.200 -0.899 0.000 1.027 131 S CB 0.701 63.065 63.200 -1.393 0.000 1.043 131 S HN 0.468 nan 8.310 nan 0.000 0.530 132 Y N -0.085 119.994 120.300 -0.368 0.000 2.544 132 Y HA 0.477 5.025 4.550 -0.003 0.000 0.342 132 Y C -0.448 175.509 175.900 0.096 0.000 1.062 132 Y CA -0.942 57.105 58.100 -0.088 0.000 1.023 132 Y CB 1.795 40.145 38.460 -0.184 0.000 1.308 132 Y HN 0.498 nan 8.280 nan 0.000 0.457 133 D N 2.080 122.698 120.400 0.364 0.000 2.601 133 D HA 0.572 5.210 4.640 -0.004 0.000 0.230 133 D C -0.982 175.443 176.300 0.208 0.000 1.106 133 D CA -0.362 53.812 54.000 0.290 0.000 0.873 133 D CB 2.850 43.900 40.800 0.417 0.000 1.515 133 D HN 0.402 nan 8.370 nan 0.000 0.468 134 I N 1.506 122.196 120.570 0.200 0.000 2.404 134 I HA 0.270 4.438 4.170 -0.004 0.000 0.293 134 I C -0.948 175.383 176.117 0.358 0.000 0.992 134 I CA -0.962 60.499 61.300 0.268 0.000 1.149 134 I CB 1.563 39.680 38.000 0.195 0.000 1.315 134 I HN 0.235 nan 8.210 nan 0.000 0.446 135 Y N 5.368 125.840 120.300 0.286 0.000 2.335 135 Y HA 0.278 4.826 4.550 -0.004 0.000 0.338 135 Y C -0.178 175.901 175.900 0.298 0.000 0.977 135 Y CA -0.703 57.561 58.100 0.274 0.000 1.114 135 Y CB 1.142 39.771 38.460 0.281 0.000 1.182 135 Y HN 0.492 nan 8.280 nan 0.000 0.463 136 D N 6.466 126.755 120.400 -0.186 0.000 2.338 136 D HA 0.063 4.701 4.640 -0.004 0.000 0.255 136 D C 0.689 176.685 176.300 -0.506 0.000 1.237 136 D CA 0.364 54.172 54.000 -0.320 0.000 0.883 136 D CB 0.950 41.601 40.800 -0.249 0.000 1.087 136 D HN 0.889 nan 8.370 nan 0.000 0.485 137 L N 3.675 124.725 121.223 -0.289 0.000 2.291 137 L HA -0.096 4.242 4.340 -0.004 0.000 0.214 137 L C 2.054 178.799 176.870 -0.209 0.000 1.120 137 L CA 0.358 55.131 54.840 -0.112 0.000 0.799 137 L CB -0.189 41.843 42.059 -0.046 0.000 0.925 137 L HN 0.380 nan 8.230 nan 0.000 0.446 138 N N 1.174 119.693 118.700 -0.302 0.000 2.132 138 N HA -0.125 4.613 4.740 -0.004 0.000 0.187 138 N C 1.456 176.847 175.510 -0.198 0.000 1.038 138 N CA 1.185 54.093 53.050 -0.236 0.000 0.846 138 N CB -0.117 38.218 38.487 -0.253 0.000 1.012 138 N HN 0.433 nan 8.380 nan 0.000 0.429 139 K N 1.389 121.655 120.400 -0.224 0.000 2.476 139 K HA 0.199 4.517 4.320 -0.004 0.000 0.196 139 K C -0.298 176.180 176.600 -0.204 0.000 1.025 139 K CA -0.173 56.009 56.287 -0.176 0.000 1.138 139 K CB 0.147 32.561 32.500 -0.145 0.000 0.860 139 K HN -0.022 nan 8.250 nan 0.000 0.515 140 R N 1.670 122.005 120.500 -0.276 0.000 3.158 140 R HA -0.203 4.134 4.340 -0.004 0.000 0.244 140 R C -1.021 175.049 176.300 -0.384 0.000 0.900 140 R CA 0.861 56.784 56.100 -0.296 0.000 0.618 140 R CB -1.764 28.520 30.300 -0.026 0.000 1.061 140 R HN 0.612 nan 8.270 nan 0.000 0.471 141 Q N 0.081 119.487 119.800 -0.657 0.000 2.421 141 Q HA 0.456 4.794 4.340 -0.004 0.000 0.280 141 Q C -1.074 174.733 176.000 -0.322 0.000 1.085 141 Q CA -1.268 54.345 55.803 -0.317 0.000 0.807 141 Q CB 2.147 30.802 28.738 -0.138 0.000 1.405 141 Q HN 0.105 nan 8.270 nan 0.000 0.419 142 L N 2.327 123.596 121.223 0.076 0.000 2.281 142 L HA 0.372 4.710 4.340 -0.004 0.000 0.285 142 L C -0.814 176.148 176.870 0.153 0.000 1.074 142 L CA 0.033 55.027 54.840 0.257 0.000 0.817 142 L CB 0.627 42.934 42.059 0.412 0.000 1.168 142 L HN 0.551 nan 8.230 nan 0.000 0.434 143 I N 4.497 125.158 120.570 0.152 0.000 2.587 143 I HA 0.026 4.193 4.170 -0.004 0.000 0.284 143 I C 1.045 177.221 176.117 0.097 0.000 1.134 143 I CA 0.409 61.774 61.300 0.108 0.000 1.410 143 I CB 0.615 38.679 38.000 0.106 0.000 1.392 143 I HN 0.787 nan 8.210 nan 0.000 0.545 144 T N 1.014 115.607 114.554 0.066 0.000 3.044 144 T HA 0.152 4.500 4.350 -0.004 0.000 0.260 144 T C 0.319 175.030 174.700 0.017 0.000 1.019 144 T CA -0.487 61.644 62.100 0.050 0.000 0.921 144 T CB -0.135 68.762 68.868 0.047 0.000 1.053 144 T HN 0.704 nan 8.240 nan 0.000 0.533 145 E N 1.098 121.302 120.200 0.007 0.000 2.207 145 E HA 0.391 4.738 4.350 -0.004 0.000 0.270 145 E C -0.801 175.777 176.600 -0.038 0.000 0.927 145 E CA -0.870 55.521 56.400 -0.015 0.000 0.799 145 E CB 0.860 30.554 29.700 -0.010 0.000 1.172 145 E HN -0.057 nan 8.360 nan 0.000 0.404 146 E N 0.875 121.038 120.200 -0.061 0.000 2.269 146 E HA -0.236 4.112 4.350 -0.004 0.000 0.223 146 E C -0.489 176.041 176.600 -0.117 0.000 1.244 146 E CA 0.992 57.337 56.400 -0.092 0.000 0.713 146 E CB -1.558 28.097 29.700 -0.075 0.000 1.178 146 E HN 0.716 nan 8.360 nan 0.000 0.370 147 R N -0.590 119.836 120.500 -0.123 0.000 2.560 147 R HA 0.561 4.899 4.340 -0.004 0.000 0.270 147 R C 0.869 177.007 176.300 -0.270 0.000 1.074 147 R CA -0.769 55.245 56.100 -0.143 0.000 1.140 147 R CB 0.672 30.929 30.300 -0.071 0.000 1.073 147 R HN 0.007 nan 8.270 nan 0.000 0.527 148 I N 2.481 122.850 120.570 -0.334 0.000 2.683 148 I HA 0.022 4.190 4.170 -0.004 0.000 0.286 148 I C -1.696 174.125 176.117 -0.492 0.000 1.175 148 I CA -1.601 59.345 61.300 -0.589 0.000 1.429 148 I CB 0.358 38.007 38.000 -0.586 0.000 1.371 148 I HN 0.477 nan 8.210 nan 0.000 0.569 149 P HA 0.027 nan 4.420 nan 0.000 0.269 149 P C -0.794 176.298 177.300 -0.346 0.000 1.217 149 P CA -0.202 62.509 63.100 -0.648 0.000 0.783 149 P CB 0.359 31.254 31.700 -1.341 0.000 0.898 150 N N 2.262 120.837 118.700 -0.208 0.000 2.467 150 N HA 0.066 4.804 4.740 -0.004 0.000 0.262 150 N C 0.341 175.906 175.510 0.092 0.000 1.234 150 N CA 0.111 53.108 53.050 -0.089 0.000 0.952 150 N CB -0.220 38.226 38.487 -0.067 0.000 1.158 150 N HN 0.404 nan 8.380 nan 0.000 0.463 151 N N -0.655 118.090 118.700 0.076 0.000 2.776 151 N HA -0.147 4.591 4.740 -0.004 0.000 0.249 151 N C -0.894 174.788 175.510 0.286 0.000 1.111 151 N CA 0.675 53.818 53.050 0.155 0.000 0.711 151 N CB -1.616 36.978 38.487 0.179 0.000 1.065 151 N HN 0.469 nan 8.380 nan 0.000 0.556 152 T N 0.772 115.484 114.554 0.263 0.000 2.851 152 T HA 0.147 4.495 4.350 -0.004 0.000 0.298 152 T C 1.711 176.565 174.700 0.257 0.000 0.977 152 T CA -0.009 62.269 62.100 0.296 0.000 1.126 152 T CB 1.284 70.226 68.868 0.123 0.000 0.916 152 T HN 0.150 nan 8.240 nan 0.000 0.529 153 Q N 1.875 121.811 119.800 0.227 0.000 2.269 153 Q HA 0.136 4.474 4.340 -0.004 0.000 0.201 153 Q C 0.162 176.305 176.000 0.238 0.000 0.946 153 Q CA 0.514 56.457 55.803 0.232 0.000 0.877 153 Q CB 0.702 29.526 28.738 0.143 0.000 0.963 153 Q HN 0.692 nan 8.270 nan 0.000 0.472 154 W N -0.306 120.939 121.300 -0.091 0.000 3.571 154 W HA 0.442 5.100 4.660 -0.003 0.000 0.294 154 W C -2.334 174.084 176.519 -0.167 0.000 1.257 154 W CA -0.614 56.631 57.345 -0.166 0.000 1.206 154 W CB 1.220 30.517 29.460 -0.272 0.000 1.325 154 W HN -0.366 nan 8.180 nan 0.000 0.546 155 V N 3.303 122.461 119.914 -1.261 0.000 2.851 155 V HA 0.640 4.758 4.120 -0.004 0.000 0.307 155 V C -0.500 174.938 176.094 -1.093 0.000 1.129 155 V CA -0.594 61.122 62.300 -0.975 0.000 0.932 155 V CB 1.744 32.927 31.823 -1.066 0.000 1.024 155 V HN 0.498 nan 8.190 nan 0.000 0.426 156 T N 2.893 117.136 114.554 -0.518 0.000 2.993 156 T HA 0.542 4.890 4.350 -0.004 0.000 0.312 156 T C -1.345 173.382 174.700 0.045 0.000 1.115 156 T CA -0.277 61.713 62.100 -0.183 0.000 1.027 156 T CB 0.875 69.871 68.868 0.212 0.000 1.116 156 T HN 0.515 nan 8.240 nan 0.000 0.464 157 W N 3.015 124.351 121.300 0.060 0.000 2.093 157 W HA 0.444 5.101 4.660 -0.004 0.000 0.352 157 W C 1.215 177.629 176.519 -0.175 0.000 1.294 157 W CA -0.583 56.758 57.345 -0.007 0.000 1.290 157 W CB 0.633 30.081 29.460 -0.019 0.000 1.149 157 W HN 0.793 nan 8.180 nan 0.000 0.606 158 S N 1.859 117.382 115.700 -0.296 0.000 2.593 158 S HA 0.120 4.587 4.470 -0.004 0.000 0.269 158 S C -1.441 172.879 174.600 -0.467 0.000 1.334 158 S CA -1.045 56.410 58.200 -1.241 0.000 1.015 158 S CB 0.937 63.297 63.200 -1.401 0.000 0.912 158 S HN 0.401 nan 8.310 nan 0.000 0.541 159 P HA 0.038 nan 4.420 nan 0.000 0.225 159 P C -0.095 177.138 177.300 -0.110 0.000 1.148 159 P CA 0.654 63.691 63.100 -0.104 0.000 0.779 159 P CB 0.025 31.713 31.700 -0.021 0.000 0.780 160 V N -1.305 118.491 119.914 -0.197 0.000 2.876 160 V HA 0.619 4.737 4.120 -0.004 0.000 0.312 160 V C 0.795 176.763 176.094 -0.209 0.000 1.085 160 V CA 0.137 62.343 62.300 -0.156 0.000 0.945 160 V CB 1.151 32.895 31.823 -0.132 0.000 1.017 160 V HN 0.440 nan 8.190 nan 0.000 0.428 161 G N 3.103 111.800 108.800 -0.171 0.000 2.514 161 G HA2 -0.216 3.742 3.960 -0.004 0.000 0.265 161 G HA3 -0.216 3.742 3.960 -0.004 0.000 0.265 161 G C 0.179 174.957 174.900 -0.203 0.000 1.150 161 G CA 0.624 45.583 45.100 -0.235 0.000 0.959 161 G HN 1.831 nan 8.290 nan 0.000 0.556 162 H N -0.400 118.642 119.070 -0.046 0.000 3.038 162 H HA 0.413 4.967 4.556 -0.003 0.000 0.238 162 H C 0.305 175.783 175.328 0.249 0.000 1.246 162 H CA -0.119 55.940 56.048 0.020 0.000 0.966 162 H CB -0.165 29.593 29.762 -0.007 0.000 2.394 162 H HN 0.517 nan 8.280 nan 0.000 0.633 163 K N 1.585 122.034 120.400 0.081 0.000 2.219 163 K HA 0.468 4.786 4.320 -0.004 0.000 0.258 163 K C -0.392 176.349 176.600 0.236 0.000 1.008 163 K CA -0.297 56.052 56.287 0.103 0.000 0.928 163 K CB 1.555 33.965 32.500 -0.149 0.000 0.983 163 K HN 0.134 nan 8.250 nan 0.000 0.484 164 L N 0.804 122.179 121.223 0.253 0.000 2.401 164 L HA 0.588 4.926 4.340 -0.004 0.000 0.266 164 L C -1.070 176.004 176.870 0.341 0.000 0.991 164 L CA -0.848 54.096 54.840 0.172 0.000 0.818 164 L CB 2.186 44.178 42.059 -0.111 0.000 1.321 164 L HN 0.722 nan 8.230 nan 0.000 0.413 165 A N 2.472 125.474 122.820 0.304 0.000 2.374 165 A HA 0.835 5.153 4.320 -0.004 0.000 0.305 165 A C -1.657 175.950 177.584 0.039 0.000 1.053 165 A CA -0.375 51.727 52.037 0.109 0.000 0.726 165 A CB 1.302 20.269 19.000 -0.054 0.000 1.229 165 A HN 0.656 nan 8.150 nan 0.000 0.431 166 Y N -0.716 119.532 120.300 -0.087 0.000 2.625 166 Y HA 0.774 5.322 4.550 -0.003 0.000 0.338 166 Y C -1.259 174.642 175.900 0.001 0.000 1.123 166 Y CA -1.567 56.460 58.100 -0.123 0.000 1.046 166 Y CB 1.159 39.482 38.460 -0.228 0.000 1.299 166 Y HN 0.409 nan 8.280 nan 0.000 0.464 167 V N 1.923 121.956 119.914 0.198 0.000 2.448 167 V HA 0.385 4.502 4.120 -0.004 0.000 0.295 167 V C -1.480 174.816 176.094 0.337 0.000 1.025 167 V CA -0.604 61.786 62.300 0.151 0.000 0.859 167 V CB 1.338 33.164 31.823 0.005 0.000 0.988 167 V HN 0.868 nan 8.190 nan 0.000 0.431 168 W N 4.936 126.327 121.300 0.152 0.000 3.042 168 W HA 0.466 5.124 4.660 -0.003 0.000 0.337 168 W C 0.277 176.848 176.519 0.086 0.000 1.086 168 W CA -0.756 56.654 57.345 0.109 0.000 1.236 168 W CB 1.260 30.762 29.460 0.070 0.000 1.381 168 W HN 0.785 nan 8.180 nan 0.000 0.472 169 N N 4.988 123.269 118.700 -0.698 0.000 2.735 169 N HA -0.335 4.403 4.740 -0.004 0.000 0.248 169 N C -0.004 175.311 175.510 -0.326 0.000 1.083 169 N CA 1.001 53.645 53.050 -0.677 0.000 0.703 169 N CB -0.898 36.925 38.487 -1.107 0.000 1.005 169 N HN 0.721 nan 8.380 nan 0.000 0.550 170 N N -1.481 117.097 118.700 -0.204 0.000 2.828 170 N HA -0.153 4.585 4.740 -0.004 0.000 0.248 170 N C -1.458 173.954 175.510 -0.162 0.000 1.044 170 N CA 1.640 54.592 53.050 -0.164 0.000 0.851 170 N CB -0.500 37.852 38.487 -0.225 0.000 1.136 170 N HN 0.519 nan 8.380 nan 0.000 0.572 171 D N -0.146 120.165 120.400 -0.148 0.000 2.342 171 D HA 0.488 5.126 4.640 -0.004 0.000 0.243 171 D C 0.437 176.539 176.300 -0.330 0.000 1.019 171 D CA -0.433 53.396 54.000 -0.284 0.000 0.864 171 D CB 1.321 41.898 40.800 -0.371 0.000 1.315 171 D HN 0.008 nan 8.370 nan 0.000 0.468 172 I N 1.761 121.978 120.570 -0.588 0.000 2.396 172 I HA 0.235 4.403 4.170 -0.004 0.000 0.292 172 I C -0.649 174.972 176.117 -0.826 0.000 0.999 172 I CA -0.398 60.542 61.300 -0.599 0.000 1.310 172 I CB 0.573 38.140 38.000 -0.722 0.000 1.404 172 I HN 0.173 nan 8.210 nan 0.000 0.496 173 Y N 3.956 123.851 120.300 -0.674 0.000 2.545 173 Y HA 0.648 5.196 4.550 -0.003 0.000 0.348 173 Y C -0.407 175.134 175.900 -0.598 0.000 1.002 173 Y CA -0.911 56.746 58.100 -0.739 0.000 1.039 173 Y CB 2.100 39.836 38.460 -1.207 0.000 1.271 173 Y HN 0.098 nan 8.280 nan 0.000 0.467 174 V N 2.632 122.477 119.914 -0.115 0.000 2.638 174 V HA 0.474 4.592 4.120 -0.004 0.000 0.306 174 V C -1.021 175.212 176.094 0.232 0.000 1.052 174 V CA -1.408 60.932 62.300 0.067 0.000 0.885 174 V CB 2.067 33.947 31.823 0.095 0.000 0.999 174 V HN 0.627 nan 8.190 nan 0.000 0.424 175 K N 4.571 125.118 120.400 0.245 0.000 2.413 175 K HA 0.532 4.849 4.320 -0.004 0.000 0.257 175 K C 0.315 177.060 176.600 0.242 0.000 0.946 175 K CA -0.775 55.649 56.287 0.227 0.000 0.823 175 K CB 2.130 34.717 32.500 0.145 0.000 1.109 175 K HN 0.398 nan 8.250 nan 0.000 0.427 176 I N 1.037 121.770 120.570 0.272 0.000 2.353 176 I HA -0.055 4.113 4.170 -0.004 0.000 0.248 176 I C 0.321 176.562 176.117 0.207 0.000 1.119 176 I CA 1.403 62.835 61.300 0.219 0.000 1.417 176 I CB -0.258 37.875 38.000 0.221 0.000 1.078 176 I HN 0.581 nan 8.210 nan 0.000 0.421 177 E N -0.124 120.176 120.200 0.167 0.000 2.272 177 E HA 0.282 4.630 4.350 -0.004 0.000 0.269 177 E C -1.894 174.691 176.600 -0.025 0.000 0.877 177 E CA -2.014 54.446 56.400 0.100 0.000 0.755 177 E CB 1.873 31.628 29.700 0.093 0.000 1.192 177 E HN -0.164 nan 8.360 nan 0.000 0.422 178 P HA -0.187 nan 4.420 nan 0.000 0.217 178 P C 0.818 178.047 177.300 -0.119 0.000 1.148 178 P CA 1.404 64.355 63.100 -0.248 0.000 0.834 178 P CB 0.305 31.628 31.700 -0.627 0.000 0.783 179 N N -1.332 117.323 118.700 -0.075 0.000 2.230 179 N HA 0.022 4.760 4.740 -0.004 0.000 0.202 179 N C 0.085 175.583 175.510 -0.021 0.000 1.119 179 N CA 0.146 53.180 53.050 -0.026 0.000 0.851 179 N CB -0.066 38.427 38.487 0.009 0.000 0.990 179 N HN 0.167 nan 8.380 nan 0.000 0.497 180 L N 1.023 122.235 121.223 -0.018 0.000 2.358 180 L HA 0.546 4.884 4.340 -0.004 0.000 0.268 180 L C -2.124 174.711 176.870 -0.058 0.000 1.032 180 L CA -2.220 52.608 54.840 -0.020 0.000 0.805 180 L CB 1.310 43.378 42.059 0.015 0.000 1.253 180 L HN -0.129 nan 8.230 nan 0.000 0.452 181 P HA 0.062 nan 4.420 nan 0.000 0.272 181 P C -0.721 176.441 177.300 -0.230 0.000 1.223 181 P CA -0.202 62.806 63.100 -0.153 0.000 0.784 181 P CB 0.747 32.347 31.700 -0.166 0.000 0.923 182 S N 1.121 116.730 115.700 -0.152 0.000 2.603 182 S HA 0.290 4.758 4.470 -0.004 0.000 0.268 182 S C -0.387 174.082 174.600 -0.219 0.000 1.317 182 S CA -0.020 58.132 58.200 -0.080 0.000 1.012 182 S CB -0.116 63.134 63.200 0.084 0.000 0.926 182 S HN 0.274 nan 8.310 nan 0.000 0.539 183 Y N 1.052 121.385 120.300 0.054 0.000 2.331 183 Y HA 0.389 4.937 4.550 -0.003 0.000 0.338 183 Y C 0.730 176.565 175.900 -0.107 0.000 0.992 183 Y CA -0.598 57.511 58.100 0.015 0.000 1.121 183 Y CB 0.771 39.238 38.460 0.010 0.000 1.184 183 Y HN 0.464 nan 8.280 nan 0.000 0.469 184 R N 3.561 123.999 120.500 -0.103 0.000 2.390 184 R HA 0.244 4.582 4.340 -0.004 0.000 0.291 184 R C 0.069 175.978 176.300 -0.653 0.000 1.070 184 R CA -0.033 55.638 56.100 -0.714 0.000 1.014 184 R CB 0.523 30.187 30.300 -1.059 0.000 1.007 184 R HN 0.776 nan 8.270 nan 0.000 0.466 185 I N 1.668 121.779 120.570 -0.765 0.000 3.172 185 I HA 0.002 4.170 4.170 -0.004 0.000 0.278 185 I C 1.008 176.887 176.117 -0.395 0.000 1.174 185 I CA 0.820 61.856 61.300 -0.441 0.000 1.445 185 I CB -0.338 37.385 38.000 -0.461 0.000 1.175 185 I HN 0.617 nan 8.210 nan 0.000 0.447 186 T N -3.792 110.362 114.554 -0.667 0.000 2.907 186 T HA 0.391 4.739 4.350 -0.004 0.000 0.292 186 T C -0.180 174.243 174.700 -0.461 0.000 1.043 186 T CA -0.523 61.356 62.100 -0.368 0.000 1.003 186 T CB 2.202 70.826 68.868 -0.408 0.000 1.084 186 T HN 0.220 nan 8.240 nan 0.000 0.483 187 W N 0.851 122.035 121.300 -0.192 0.000 2.714 187 W HA 0.109 4.767 4.660 -0.003 0.000 0.353 187 W C 1.520 177.979 176.519 -0.099 0.000 0.999 187 W CA 0.062 57.330 57.345 -0.129 0.000 1.629 187 W CB 0.621 30.028 29.460 -0.089 0.000 1.106 187 W HN 0.955 nan 8.180 nan 0.000 0.545 188 T N -2.291 112.305 114.554 0.071 0.000 3.065 188 T HA 0.149 4.497 4.350 -0.004 0.000 0.252 188 T C 1.312 175.999 174.700 -0.022 0.000 1.099 188 T CA 0.297 62.417 62.100 0.033 0.000 1.063 188 T CB -0.021 68.866 68.868 0.031 0.000 0.948 188 T HN -0.038 nan 8.240 nan 0.000 0.506 189 G N 1.293 110.046 108.800 -0.079 0.000 2.257 189 G HA2 0.285 4.243 3.960 -0.004 0.000 0.235 189 G HA3 0.285 4.243 3.960 -0.004 0.000 0.235 189 G C -0.548 174.281 174.900 -0.119 0.000 1.225 189 G CA -0.266 44.761 45.100 -0.121 0.000 0.878 189 G HN 0.580 nan 8.290 nan 0.000 0.505 190 K N 1.770 122.078 120.400 -0.153 0.000 2.589 190 K HA 0.137 4.455 4.320 -0.004 0.000 0.253 190 K C -0.231 176.241 176.600 -0.214 0.000 0.974 190 K CA -0.646 55.555 56.287 -0.143 0.000 0.835 190 K CB 1.479 33.933 32.500 -0.077 0.000 1.272 190 K HN 0.685 nan 8.250 nan 0.000 0.444 191 E N 3.357 123.437 120.200 -0.200 0.000 2.652 191 E HA -0.164 4.184 4.350 -0.004 0.000 0.255 191 E C -0.525 175.976 176.600 -0.166 0.000 0.952 191 E CA 1.060 57.338 56.400 -0.204 0.000 0.947 191 E CB 0.254 29.874 29.700 -0.133 0.000 0.912 191 E HN 0.629 nan 8.360 nan 0.000 0.489 192 D N 2.449 122.728 120.400 -0.202 0.000 3.006 192 D HA -0.235 4.403 4.640 -0.004 0.000 0.208 192 D C 0.520 176.858 176.300 0.063 0.000 1.116 192 D CA 1.379 55.391 54.000 0.019 0.000 0.998 192 D CB -0.462 40.389 40.800 0.084 0.000 1.124 192 D HN 0.419 nan 8.370 nan 0.000 0.413 193 I N -0.962 119.554 120.570 -0.089 0.000 3.623 193 I HA 0.109 4.277 4.170 -0.004 0.000 0.253 193 I C 0.794 176.970 176.117 0.099 0.000 1.144 193 I CA 0.412 61.744 61.300 0.054 0.000 1.461 193 I CB 0.042 38.055 38.000 0.021 0.000 1.575 193 I HN -0.137 nan 8.210 nan 0.000 0.445 194 I N 1.676 122.221 120.570 -0.042 0.000 2.378 194 I HA 0.259 4.427 4.170 -0.004 0.000 0.291 194 I C -1.245 174.843 176.117 -0.048 0.000 0.992 194 I CA -0.597 60.741 61.300 0.063 0.000 1.154 194 I CB 0.854 38.876 38.000 0.037 0.000 1.315 194 I HN 0.054 nan 8.210 nan 0.000 0.448 195 Y N 4.671 125.055 120.300 0.141 0.000 2.388 195 Y HA 0.388 4.936 4.550 -0.004 0.000 0.328 195 Y C 0.349 176.298 175.900 0.082 0.000 0.963 195 Y CA -0.798 57.385 58.100 0.139 0.000 1.240 195 Y CB 0.885 39.512 38.460 0.278 0.000 1.118 195 Y HN 0.415 nan 8.280 nan 0.000 0.484 196 N N 2.111 120.854 118.700 0.072 0.000 2.425 196 N HA 0.348 5.086 4.740 -0.004 0.000 0.268 196 N C 0.944 176.369 175.510 -0.141 0.000 0.991 196 N CA 0.514 53.532 53.050 -0.054 0.000 0.931 196 N CB 1.885 40.239 38.487 -0.221 0.000 1.130 196 N HN 0.963 nan 8.380 nan 0.000 0.493 197 G N 1.504 110.232 108.800 -0.119 0.000 2.212 197 G HA2 -0.264 3.694 3.960 -0.004 0.000 0.266 197 G HA3 -0.264 3.694 3.960 -0.004 0.000 0.266 197 G C 0.131 174.879 174.900 -0.253 0.000 0.978 197 G CA 0.789 45.755 45.100 -0.223 0.000 0.632 197 G HN 0.673 nan 8.290 nan 0.000 0.537 198 I N -1.668 118.827 120.570 -0.126 0.000 2.865 198 I HA 0.786 4.954 4.170 -0.004 0.000 0.302 198 I C 0.334 176.502 176.117 0.085 0.000 1.140 198 I CA -0.672 60.480 61.300 -0.248 0.000 1.021 198 I CB 1.979 39.651 38.000 -0.548 0.000 1.233 198 I HN 0.161 nan 8.210 nan 0.000 0.427 199 T N -0.295 114.239 114.554 -0.033 0.000 2.882 199 T HA 0.350 4.698 4.350 -0.004 0.000 0.287 199 T C -0.163 174.358 174.700 -0.298 0.000 1.014 199 T CA -0.641 61.304 62.100 -0.260 0.000 1.049 199 T CB 1.166 69.944 68.868 -0.149 0.000 1.001 199 T HN 0.765 nan 8.240 nan 0.000 0.525 200 D N 0.165 120.135 120.400 -0.717 0.000 2.478 200 D HA 0.042 4.679 4.640 -0.004 0.000 0.269 200 D C 0.974 177.195 176.300 -0.130 0.000 1.232 200 D CA -1.111 52.448 54.000 -0.735 0.000 1.059 200 D CB 0.121 40.424 40.800 -0.827 0.000 1.104 200 D HN 0.705 nan 8.370 nan 0.000 0.566 201 W N 0.126 121.365 121.300 -0.101 0.000 2.315 201 W HA -0.234 4.424 4.660 -0.004 0.000 0.323 201 W C 2.198 178.608 176.519 -0.183 0.000 1.233 201 W CA 2.471 59.752 57.345 -0.107 0.000 1.267 201 W CB -0.492 28.839 29.460 -0.214 0.000 1.160 201 W HN 0.183 nan 8.180 nan 0.000 0.474 202 V N -0.104 119.908 119.914 0.164 0.000 2.427 202 V HA -0.300 3.818 4.120 -0.004 0.000 0.248 202 V C 1.903 177.832 176.094 -0.275 0.000 1.051 202 V CA 2.078 64.348 62.300 -0.049 0.000 1.048 202 V CB -0.772 31.010 31.823 -0.068 0.000 0.666 202 V HN 0.323 nan 8.190 nan 0.000 0.456 203 Y N 0.683 120.816 120.300 -0.279 0.000 2.242 203 Y HA -0.187 4.361 4.550 -0.004 0.000 0.291 203 Y C 2.592 178.393 175.900 -0.165 0.000 1.137 203 Y CA 2.182 60.124 58.100 -0.264 0.000 1.181 203 Y CB -0.075 38.086 38.460 -0.498 0.000 0.989 203 Y HN 0.417 nan 8.280 nan 0.000 0.527 204 E N 0.391 120.556 120.200 -0.058 0.000 2.031 204 E HA -0.296 4.052 4.350 -0.004 0.000 0.193 204 E C 2.045 178.599 176.600 -0.076 0.000 0.994 204 E CA 1.586 57.977 56.400 -0.016 0.000 0.800 204 E CB -0.055 29.634 29.700 -0.018 0.000 0.752 204 E HN 0.423 nan 8.360 nan 0.000 0.447 205 E N 0.292 120.258 120.200 -0.390 0.000 2.046 205 E HA -0.166 4.182 4.350 -0.004 0.000 0.190 205 E C 1.735 178.212 176.600 -0.204 0.000 0.982 205 E CA 1.642 57.798 56.400 -0.407 0.000 0.800 205 E CB 0.112 29.214 29.700 -0.997 0.000 0.756 205 E HN 0.259 nan 8.360 nan 0.000 0.449 206 E N -0.683 119.377 120.200 -0.234 0.000 2.389 206 E HA 0.076 4.424 4.350 -0.004 0.000 0.199 206 E C 1.828 178.309 176.600 -0.198 0.000 0.978 206 E CA 0.436 56.746 56.400 -0.150 0.000 0.912 206 E CB 0.829 30.439 29.700 -0.151 0.000 0.907 206 E HN 0.216 nan 8.360 nan 0.000 0.494 207 V N -0.393 119.357 119.914 -0.273 0.000 2.735 207 V HA 0.042 4.160 4.120 -0.004 0.000 0.234 207 V C 1.484 177.337 176.094 -0.401 0.000 1.121 207 V CA 0.739 62.796 62.300 -0.405 0.000 1.160 207 V CB -0.314 31.157 31.823 -0.586 0.000 0.908 207 V HN 0.020 nan 8.190 nan 0.000 0.495 208 F N 0.583 120.552 119.950 0.032 0.000 2.754 208 F HA 0.280 4.805 4.527 -0.004 0.000 0.297 208 F C 1.586 177.339 175.800 -0.078 0.000 1.122 208 F CA 0.280 58.305 58.000 0.041 0.000 1.400 208 F CB -0.307 38.760 39.000 0.112 0.000 1.117 208 F HN 0.059 nan 8.300 nan 0.000 0.587 209 S N 0.523 116.216 115.700 -0.012 0.000 3.549 209 S HA -0.026 4.441 4.470 -0.004 0.000 0.366 209 S C 0.100 174.250 174.600 -0.750 0.000 1.012 209 S CA 0.436 58.460 58.200 -0.293 0.000 1.141 209 S CB -1.623 61.470 63.200 -0.178 0.000 0.910 209 S HN 0.634 nan 8.310 nan 0.000 0.471 210 A N -0.593 122.044 122.820 -0.305 0.000 2.608 210 A HA 0.711 5.029 4.320 -0.004 0.000 0.292 210 A C -0.302 177.254 177.584 -0.047 0.000 1.066 210 A CA -0.493 51.396 52.037 -0.247 0.000 0.676 210 A CB 0.354 19.218 19.000 -0.226 0.000 1.277 210 A HN 0.305 nan 8.150 nan 0.000 0.413 211 Y N 1.559 121.681 120.300 -0.296 0.000 2.436 211 Y HA 0.161 4.709 4.550 -0.004 0.000 0.288 211 Y C 1.559 177.165 175.900 -0.490 0.000 1.112 211 Y CA 0.721 58.658 58.100 -0.272 0.000 1.220 211 Y CB -0.059 38.281 38.460 -0.201 0.000 1.073 211 Y HN 0.761 nan 8.280 nan 0.000 0.552 212 S N 0.780 115.929 115.700 -0.918 0.000 2.564 212 S HA 0.521 4.989 4.470 -0.004 0.000 0.278 212 S C 0.223 174.290 174.600 -0.889 0.000 1.333 212 S CA -0.104 57.354 58.200 -1.237 0.000 1.048 212 S CB 1.363 63.328 63.200 -2.057 0.000 0.900 212 S HN 0.444 nan 8.310 nan 0.000 0.505 213 A N 2.854 125.178 122.820 -0.826 0.000 3.129 213 A HA 0.556 4.874 4.320 -0.004 0.000 0.282 213 A C -0.539 176.391 177.584 -1.089 0.000 0.948 213 A CA -0.748 50.746 52.037 -0.905 0.000 1.027 213 A CB -0.621 18.274 19.000 -0.175 0.000 1.123 213 A HN 1.124 nan 8.150 nan 0.000 0.485 214 L N -4.728 115.651 121.223 -1.407 0.000 2.434 214 L HA 0.895 5.233 4.340 -0.004 0.000 0.260 214 L C -1.321 175.050 176.870 -0.831 0.000 0.983 214 L CA -1.202 53.168 54.840 -0.783 0.000 0.820 214 L CB 1.103 42.927 42.059 -0.391 0.000 1.361 214 L HN 0.243 nan 8.230 nan 0.000 0.410 215 W N 1.522 122.865 121.300 0.072 0.000 2.687 215 W HA 0.334 4.992 4.660 -0.003 0.000 0.328 215 W C -1.502 175.260 176.519 0.405 0.000 1.012 215 W CA -0.722 56.791 57.345 0.279 0.000 1.262 215 W CB 1.541 31.221 29.460 0.367 0.000 1.331 215 W HN 0.609 nan 8.180 nan 0.000 0.433 216 W N 2.378 123.896 121.300 0.364 0.000 2.170 216 W HA 0.226 4.884 4.660 -0.004 0.000 0.336 216 W C 1.303 177.654 176.519 -0.280 0.000 1.283 216 W CA 0.308 57.729 57.345 0.126 0.000 1.224 216 W CB 0.810 30.308 29.460 0.063 0.000 1.132 216 W HN 0.182 nan 8.180 nan 0.000 0.571 217 S N 2.204 117.634 115.700 -0.450 0.000 2.600 217 S HA 0.199 4.667 4.470 -0.004 0.000 0.265 217 S C -1.789 172.525 174.600 -0.476 0.000 1.325 217 S CA -1.015 56.320 58.200 -1.441 0.000 1.002 217 S CB 1.019 63.444 63.200 -1.292 0.000 0.921 217 S HN 0.283 nan 8.310 nan 0.000 0.554 218 P HA -0.172 nan 4.420 nan 0.000 0.216 218 P C 0.854 178.103 177.300 -0.084 0.000 1.157 218 P CA 1.727 64.769 63.100 -0.097 0.000 0.880 218 P CB -0.219 31.471 31.700 -0.017 0.000 0.791 219 N N -2.034 116.604 118.700 -0.102 0.000 2.270 219 N HA 0.136 4.873 4.740 -0.004 0.000 0.198 219 N C 1.066 176.489 175.510 -0.145 0.000 1.117 219 N CA 0.492 53.482 53.050 -0.100 0.000 0.845 219 N CB -0.775 37.669 38.487 -0.072 0.000 0.980 219 N HN 0.186 nan 8.380 nan 0.000 0.486 220 G N -1.026 107.691 108.800 -0.139 0.000 2.159 220 G HA2 -0.340 3.618 3.960 -0.004 0.000 0.256 220 G HA3 -0.340 3.618 3.960 -0.004 0.000 0.256 220 G C 0.943 175.857 174.900 0.023 0.000 0.977 220 G CA 0.785 45.811 45.100 -0.124 0.000 0.652 220 G HN 0.378 nan 8.290 nan 0.000 0.531 221 T N -0.053 114.449 114.554 -0.087 0.000 2.737 221 T HA 0.198 4.545 4.350 -0.004 0.000 0.265 221 T C 0.897 175.480 174.700 -0.195 0.000 1.038 221 T CA 1.291 63.252 62.100 -0.233 0.000 1.144 221 T CB -0.097 68.473 68.868 -0.497 0.000 0.866 221 T HN 0.287 nan 8.240 nan 0.000 0.434 222 F N 0.382 120.385 119.950 0.089 0.000 2.399 222 F HA 0.614 5.139 4.527 -0.004 0.000 0.328 222 F C -0.155 175.755 175.800 0.184 0.000 1.084 222 F CA -1.614 56.486 58.000 0.166 0.000 1.053 222 F CB 0.992 40.169 39.000 0.295 0.000 1.209 222 F HN -0.092 nan 8.300 nan 0.000 0.502 223 L N 2.672 124.084 121.223 0.316 0.000 2.372 223 L HA 0.794 5.131 4.340 -0.004 0.000 0.273 223 L C -0.710 176.267 176.870 0.179 0.000 0.989 223 L CA -0.519 54.321 54.840 0.001 0.000 0.841 223 L CB 0.756 42.543 42.059 -0.453 0.000 1.225 223 L HN 0.653 nan 8.230 nan 0.000 0.414 224 A N 4.631 127.624 122.820 0.289 0.000 2.303 224 A HA 0.824 5.142 4.320 -0.004 0.000 0.317 224 A C -1.389 176.262 177.584 0.111 0.000 1.149 224 A CA -0.228 51.837 52.037 0.046 0.000 0.822 224 A CB 0.645 19.711 19.000 0.110 0.000 1.131 224 A HN 0.918 nan 8.150 nan 0.000 0.493 225 Y N -2.027 118.043 120.300 -0.384 0.000 2.656 225 Y HA 0.747 5.295 4.550 -0.003 0.000 0.334 225 Y C -0.382 175.364 175.900 -0.257 0.000 1.179 225 Y CA -0.927 57.076 58.100 -0.161 0.000 1.050 225 Y CB 0.789 39.119 38.460 -0.217 0.000 1.308 225 Y HN 0.953 nan 8.280 nan 0.000 0.456 226 A N 1.768 124.673 122.820 0.142 0.000 2.320 226 A HA 0.713 5.031 4.320 -0.004 0.000 0.334 226 A C -1.221 176.238 177.584 -0.209 0.000 1.147 226 A CA -0.845 51.126 52.037 -0.109 0.000 0.820 226 A CB 1.787 20.650 19.000 -0.229 0.000 1.218 226 A HN 0.805 nan 8.150 nan 0.000 0.482 227 Q N 1.032 120.633 119.800 -0.331 0.000 2.310 227 Q HA 0.594 4.932 4.340 -0.004 0.000 0.270 227 Q C -2.104 173.668 176.000 -0.379 0.000 1.025 227 Q CA -0.356 55.355 55.803 -0.154 0.000 0.772 227 Q CB 1.073 29.942 28.738 0.219 0.000 1.253 227 Q HN 0.593 nan 8.270 nan 0.000 0.450 228 F N 2.360 122.409 119.950 0.166 0.000 2.458 228 F HA 0.413 4.938 4.527 -0.004 0.000 0.336 228 F C 0.415 176.370 175.800 0.257 0.000 1.114 228 F CA -0.920 57.161 58.000 0.135 0.000 0.987 228 F CB 1.373 40.365 39.000 -0.013 0.000 1.130 228 F HN 0.428 nan 8.300 nan 0.000 0.458 229 N N 2.053 120.974 118.700 0.368 0.000 2.476 229 N HA 0.215 4.953 4.740 -0.004 0.000 0.257 229 N C -0.885 174.804 175.510 0.298 0.000 0.970 229 N CA -0.314 52.915 53.050 0.298 0.000 0.938 229 N CB 1.039 39.648 38.487 0.203 0.000 1.144 229 N HN 0.561 nan 8.380 nan 0.000 0.500 230 D N 1.464 122.062 120.400 0.331 0.000 2.424 230 D HA 0.131 4.769 4.640 -0.004 0.000 0.220 230 D C 1.187 177.608 176.300 0.202 0.000 1.150 230 D CA 0.104 54.274 54.000 0.284 0.000 0.831 230 D CB 0.564 41.593 40.800 0.381 0.000 0.981 230 D HN 0.466 nan 8.370 nan 0.000 0.500 231 T N 0.369 115.022 114.554 0.165 0.000 2.653 231 T HA -0.220 4.128 4.350 -0.004 0.000 0.268 231 T C 1.357 176.115 174.700 0.097 0.000 1.035 231 T CA 1.333 63.502 62.100 0.116 0.000 1.154 231 T CB -0.065 68.860 68.868 0.094 0.000 0.862 231 T HN 0.316 nan 8.240 nan 0.000 0.441 232 E N 0.385 120.643 120.200 0.097 0.000 2.444 232 E HA 0.170 4.518 4.350 -0.004 0.000 0.191 232 E C -0.425 176.225 176.600 0.083 0.000 1.041 232 E CA -0.251 56.196 56.400 0.077 0.000 0.883 232 E CB 0.498 30.236 29.700 0.064 0.000 1.024 232 E HN 0.213 nan 8.360 nan 0.000 0.470 233 V N 3.564 123.542 119.914 0.107 0.000 2.508 233 V HA 0.091 4.209 4.120 -0.004 0.000 0.281 233 V C -1.991 174.160 176.094 0.094 0.000 1.041 233 V CA -1.487 60.879 62.300 0.109 0.000 1.016 233 V CB 0.414 32.321 31.823 0.141 0.000 0.984 233 V HN 0.046 nan 8.190 nan 0.000 0.478 234 P HA 0.238 nan 4.420 nan 0.000 0.270 234 P C -0.752 176.584 177.300 0.060 0.000 1.223 234 P CA -0.201 62.935 63.100 0.060 0.000 0.785 234 P CB 0.506 32.239 31.700 0.055 0.000 0.923 235 L N 2.127 123.363 121.223 0.020 0.000 2.317 235 L HA 0.460 4.798 4.340 -0.004 0.000 0.281 235 L C 0.242 177.058 176.870 -0.091 0.000 1.024 235 L CA -0.934 53.899 54.840 -0.011 0.000 0.810 235 L CB 1.165 43.213 42.059 -0.018 0.000 1.240 235 L HN 0.289 nan 8.230 nan 0.000 0.427 236 I N 2.452 122.919 120.570 -0.172 0.000 2.396 236 I HA 0.272 4.440 4.170 -0.004 0.000 0.292 236 I C -0.413 175.549 176.117 -0.258 0.000 0.999 236 I CA 0.181 61.276 61.300 -0.342 0.000 1.310 236 I CB 0.896 38.427 38.000 -0.781 0.000 1.404 236 I HN 0.570 nan 8.210 nan 0.000 0.496 237 E N 7.453 127.521 120.200 -0.220 0.000 2.234 237 E HA 0.502 4.850 4.350 -0.004 0.000 0.266 237 E C -1.802 174.725 176.600 -0.121 0.000 0.877 237 E CA -0.584 55.687 56.400 -0.215 0.000 0.758 237 E CB 2.049 31.656 29.700 -0.154 0.000 1.170 237 E HN 0.577 nan 8.360 nan 0.000 0.415 238 Y N -1.703 118.511 120.300 -0.143 0.000 2.609 238 Y HA 0.540 5.088 4.550 -0.004 0.000 0.336 238 Y C -0.699 175.129 175.900 -0.120 0.000 1.129 238 Y CA -1.255 56.766 58.100 -0.132 0.000 1.040 238 Y CB 0.852 39.242 38.460 -0.117 0.000 1.310 238 Y HN 0.203 nan 8.280 nan 0.000 0.460 239 S N 1.898 117.590 115.700 -0.014 0.000 2.584 239 S HA 0.495 4.963 4.470 -0.004 0.000 0.273 239 S C -1.400 173.041 174.600 -0.264 0.000 1.311 239 S CA -0.372 57.674 58.200 -0.257 0.000 1.034 239 S CB 0.574 63.469 63.200 -0.508 0.000 0.939 239 S HN 0.543 nan 8.310 nan 0.000 0.513 240 F N 1.958 121.630 119.950 -0.463 0.000 2.507 240 F HA 0.433 4.958 4.527 -0.004 0.000 0.328 240 F C -0.325 175.234 175.800 -0.403 0.000 1.136 240 F CA -0.920 56.904 58.000 -0.293 0.000 0.930 240 F CB 0.833 39.797 39.000 -0.061 0.000 1.166 240 F HN 0.649 nan 8.300 nan 0.000 0.436 241 Y N 2.741 122.812 120.300 -0.382 0.000 2.448 241 Y HA 0.132 4.680 4.550 -0.004 0.000 0.289 241 Y C 1.706 177.519 175.900 -0.144 0.000 1.114 241 Y CA 1.056 59.029 58.100 -0.210 0.000 1.235 241 Y CB -0.511 37.818 38.460 -0.218 0.000 1.045 241 Y HN 0.735 nan 8.280 nan 0.000 0.554 242 S N -0.259 115.328 115.700 -0.189 0.000 3.513 242 S HA -0.216 4.252 4.470 -0.004 0.000 0.636 242 S C -0.590 174.054 174.600 0.073 0.000 2.452 242 S CA 0.203 58.462 58.200 0.098 0.000 2.644 242 S CB -1.147 62.216 63.200 0.271 0.000 0.331 242 S HN 0.459 nan 8.310 nan 0.000 1.787 243 D N 1.580 122.044 120.400 0.107 0.000 2.378 243 D HA 0.140 4.777 4.640 -0.004 0.000 0.238 243 D C 1.384 177.717 176.300 0.054 0.000 1.180 243 D CA 0.399 54.441 54.000 0.071 0.000 0.895 243 D CB 0.211 41.055 40.800 0.073 0.000 1.192 243 D HN 0.635 nan 8.370 nan 0.000 0.438 244 E N 0.581 120.800 120.200 0.033 0.000 2.219 244 E HA -0.231 4.116 4.350 -0.004 0.000 0.198 244 E C 1.529 178.141 176.600 0.019 0.000 0.998 244 E CA 1.305 57.715 56.400 0.017 0.000 0.818 244 E CB 0.152 29.856 29.700 0.006 0.000 0.741 244 E HN 0.450 nan 8.360 nan 0.000 0.477 245 S N 0.247 115.965 115.700 0.030 0.000 2.447 245 S HA -0.144 4.324 4.470 -0.004 0.000 0.233 245 S C 0.961 175.585 174.600 0.039 0.000 1.006 245 S CA 0.052 58.270 58.200 0.030 0.000 0.957 245 S CB -0.236 62.985 63.200 0.035 0.000 0.773 245 S HN 0.242 nan 8.310 nan 0.000 0.507 246 L N 2.628 123.884 121.223 0.055 0.000 2.433 246 L HA 0.264 4.602 4.340 -0.004 0.000 0.275 246 L C 1.410 178.309 176.870 0.049 0.000 1.128 246 L CA 0.157 55.041 54.840 0.072 0.000 0.875 246 L CB 0.438 42.557 42.059 0.099 0.000 1.171 246 L HN 0.303 nan 8.230 nan 0.000 0.463 247 Q N 4.014 123.842 119.800 0.046 0.000 2.046 247 Q HA -0.091 4.247 4.340 -0.004 0.000 0.200 247 Q C -0.463 175.446 176.000 -0.150 0.000 0.975 247 Q CA 1.331 57.104 55.803 -0.051 0.000 0.836 247 Q CB 0.099 28.818 28.738 -0.031 0.000 0.896 247 Q HN 0.678 nan 8.270 nan 0.000 0.428 248 Y N 0.757 121.072 120.300 0.025 0.000 2.341 248 Y HA 0.380 4.928 4.550 -0.004 0.000 0.337 248 Y C -2.044 173.869 175.900 0.022 0.000 1.014 248 Y CA -2.895 55.217 58.100 0.020 0.000 1.111 248 Y CB 1.329 39.792 38.460 0.005 0.000 1.194 248 Y HN 0.169 nan 8.280 nan 0.000 0.462 249 P HA 0.046 nan 4.420 nan 0.000 0.269 249 P C -0.794 176.520 177.300 0.024 0.000 1.209 249 P CA -0.541 62.587 63.100 0.047 0.000 0.776 249 P CB 0.688 32.371 31.700 -0.028 0.000 0.876 250 K N 1.346 121.746 120.400 0.001 0.000 2.118 250 K HA 0.319 4.637 4.320 -0.004 0.000 0.267 250 K C -0.738 175.822 176.600 -0.068 0.000 0.991 250 K CA -0.289 55.998 56.287 -0.001 0.000 0.916 250 K CB 0.500 33.029 32.500 0.048 0.000 1.041 250 K HN 0.314 nan 8.250 nan 0.000 0.455 251 T N 3.241 117.740 114.554 -0.092 0.000 2.753 251 T HA 0.201 4.549 4.350 -0.004 0.000 0.297 251 T C -0.532 174.042 174.700 -0.211 0.000 0.981 251 T CA -0.584 61.425 62.100 -0.153 0.000 0.956 251 T CB 0.898 69.690 68.868 -0.127 0.000 0.936 251 T HN 0.313 nan 8.240 nan 0.000 0.463 252 V N 5.830 125.523 119.914 -0.369 0.000 2.530 252 V HA 0.372 4.490 4.120 -0.004 0.000 0.282 252 V C 0.462 176.276 176.094 -0.467 0.000 1.048 252 V CA -0.296 61.729 62.300 -0.458 0.000 0.997 252 V CB 0.606 31.991 31.823 -0.728 0.000 0.987 252 V HN 0.716 nan 8.190 nan 0.000 0.477 253 R N 3.594 123.955 120.500 -0.232 0.000 2.476 253 R HA 0.730 5.068 4.340 -0.004 0.000 0.305 253 R C -1.365 174.920 176.300 -0.025 0.000 0.965 253 R CA -0.566 55.445 56.100 -0.149 0.000 0.867 253 R CB 2.302 32.546 30.300 -0.093 0.000 1.176 253 R HN 0.513 nan 8.270 nan 0.000 0.447 254 V N 3.401 123.303 119.914 -0.020 0.000 2.686 254 V HA 0.494 4.612 4.120 -0.004 0.000 0.306 254 V C -2.695 173.449 176.094 0.084 0.000 1.065 254 V CA -2.709 59.651 62.300 0.100 0.000 0.894 254 V CB 2.504 34.410 31.823 0.138 0.000 1.004 254 V HN 0.528 nan 8.190 nan 0.000 0.424 255 P HA 0.184 nan 4.420 nan 0.000 0.261 255 P C -1.745 175.656 177.300 0.169 0.000 1.203 255 P CA 0.645 63.850 63.100 0.176 0.000 0.767 255 P CB -0.344 31.509 31.700 0.254 0.000 0.785 256 Y N 6.535 126.806 120.300 -0.047 0.000 2.307 256 Y HA 0.375 4.923 4.550 -0.004 0.000 0.323 256 Y C -2.716 173.151 175.900 -0.055 0.000 1.100 256 Y CA -2.848 55.172 58.100 -0.133 0.000 1.140 256 Y CB 1.848 40.106 38.460 -0.337 0.000 1.159 256 Y HN 0.280 nan 8.280 nan 0.000 0.436 257 P HA 0.248 nan 4.420 nan 0.000 0.286 257 P C -0.948 176.413 177.300 0.102 0.000 1.321 257 P CA -0.220 62.924 63.100 0.074 0.000 0.790 257 P CB 1.289 33.011 31.700 0.037 0.000 0.897 258 K N 2.108 122.641 120.400 0.222 0.000 2.102 258 K HA 0.484 4.802 4.320 -0.004 0.000 0.244 258 K C 0.611 177.309 176.600 0.164 0.000 1.021 258 K CA -0.682 55.751 56.287 0.245 0.000 0.913 258 K CB 0.557 33.210 32.500 0.254 0.000 1.062 258 K HN 0.452 nan 8.250 nan 0.000 0.485 259 A N 0.804 123.744 122.820 0.200 0.000 2.580 259 A HA 0.250 4.568 4.320 -0.004 0.000 0.244 259 A C 1.228 178.843 177.584 0.052 0.000 1.045 259 A CA 1.055 53.194 52.037 0.170 0.000 0.761 259 A CB -1.182 18.003 19.000 0.309 0.000 0.962 259 A HN 0.916 nan 8.150 nan 0.000 0.512 260 G N 0.909 109.730 108.800 0.035 0.000 2.205 260 G HA2 0.088 4.046 3.960 -0.004 0.000 0.261 260 G HA3 0.088 4.046 3.960 -0.004 0.000 0.261 260 G C 0.704 175.613 174.900 0.014 0.000 0.980 260 G CA 0.885 45.980 45.100 -0.009 0.000 0.632 260 G HN 2.198 nan 8.290 nan 0.000 0.533 261 A N -0.416 122.431 122.820 0.044 0.000 2.249 261 A HA 0.749 5.067 4.320 -0.004 0.000 0.281 261 A C 0.822 178.435 177.584 0.049 0.000 1.127 261 A CA 0.303 52.369 52.037 0.049 0.000 0.833 261 A CB 0.659 19.702 19.000 0.073 0.000 1.140 261 A HN 1.147 nan 8.150 nan 0.000 0.502 262 V N 2.421 122.366 119.914 0.051 0.000 2.485 262 V HA 0.037 4.155 4.120 -0.004 0.000 0.287 262 V C 0.257 176.394 176.094 0.072 0.000 1.022 262 V CA -0.137 62.194 62.300 0.052 0.000 1.067 262 V CB -0.261 31.594 31.823 0.053 0.000 0.967 262 V HN 0.769 nan 8.190 nan 0.000 0.479 263 N N 6.522 125.264 118.700 0.069 0.000 2.493 263 N HA 0.454 5.192 4.740 -0.004 0.000 0.275 263 N C -2.327 173.265 175.510 0.137 0.000 1.186 263 N CA -1.499 51.614 53.050 0.105 0.000 0.978 263 N CB 1.076 39.619 38.487 0.094 0.000 1.184 263 N HN 0.397 nan 8.380 nan 0.000 0.487 264 P HA 0.096 nan 4.420 nan 0.000 0.274 264 P C -0.403 177.056 177.300 0.265 0.000 1.237 264 P CA -0.156 63.102 63.100 0.262 0.000 0.793 264 P CB 0.445 32.352 31.700 0.345 0.000 0.977 265 T N -1.729 112.962 114.554 0.227 0.000 2.948 265 T HA 0.624 4.972 4.350 -0.004 0.000 0.285 265 T C -0.273 174.564 174.700 0.229 0.000 1.019 265 T CA -0.829 61.363 62.100 0.155 0.000 1.013 265 T CB 1.475 70.397 68.868 0.090 0.000 1.117 265 T HN 0.372 nan 8.240 nan 0.000 0.533 266 V N 0.022 120.044 119.914 0.179 0.000 3.049 266 V HA 0.774 4.891 4.120 -0.004 0.000 0.309 266 V C -1.760 174.420 176.094 0.143 0.000 1.148 266 V CA -0.873 61.506 62.300 0.131 0.000 0.990 266 V CB 2.182 34.115 31.823 0.184 0.000 1.039 266 V HN 1.097 nan 8.190 nan 0.000 0.430 267 K N 3.968 124.386 120.400 0.030 0.000 2.482 267 K HA 0.598 4.915 4.320 -0.004 0.000 0.257 267 K C -1.994 174.543 176.600 -0.105 0.000 0.969 267 K CA -0.498 55.774 56.287 -0.024 0.000 0.842 267 K CB 2.842 35.276 32.500 -0.111 0.000 1.359 267 K HN 0.546 nan 8.250 nan 0.000 0.441 268 F N 1.926 121.599 119.950 -0.461 0.000 2.520 268 F HA 0.597 5.122 4.527 -0.004 0.000 0.322 268 F C -1.486 173.839 175.800 -0.792 0.000 1.103 268 F CA -0.661 57.054 58.000 -0.476 0.000 0.926 268 F CB 0.913 39.731 39.000 -0.303 0.000 1.154 268 F HN 0.399 nan 8.300 nan 0.000 0.453 269 F N 3.490 122.692 119.950 -1.246 0.000 2.629 269 F HA 0.783 5.308 4.527 -0.003 0.000 0.316 269 F C -1.036 174.075 175.800 -1.149 0.000 1.081 269 F CA -1.239 56.141 58.000 -1.034 0.000 0.954 269 F CB 2.024 40.388 39.000 -1.060 0.000 1.337 269 F HN 0.146 nan 8.300 nan 0.000 0.474 270 V N 2.052 121.727 119.914 -0.399 0.000 2.686 270 V HA 0.633 4.751 4.120 -0.004 0.000 0.306 270 V C -1.265 174.905 176.094 0.127 0.000 1.065 270 V CA -0.812 61.347 62.300 -0.235 0.000 0.894 270 V CB 1.938 33.449 31.823 -0.521 0.000 1.004 270 V HN 0.635 nan 8.190 nan 0.000 0.424 271 V N 4.067 124.131 119.914 0.251 0.000 2.680 271 V HA 0.534 4.652 4.120 -0.004 0.000 0.309 271 V C -0.129 176.198 176.094 0.387 0.000 1.052 271 V CA -0.625 61.854 62.300 0.298 0.000 0.908 271 V CB 2.013 33.955 31.823 0.198 0.000 1.001 271 V HN 1.015 nan 8.190 nan 0.000 0.431 272 N N 3.219 122.127 118.700 0.347 0.000 2.439 272 N HA 0.127 4.865 4.740 -0.004 0.000 0.243 272 N C 1.288 176.811 175.510 0.022 0.000 1.088 272 N CA 0.368 53.510 53.050 0.154 0.000 0.940 272 N CB 1.081 39.625 38.487 0.096 0.000 1.180 272 N HN 0.903 nan 8.380 nan 0.000 0.505 273 T N 0.197 114.761 114.554 0.018 0.000 2.962 273 T HA -0.101 4.247 4.350 -0.004 0.000 0.270 273 T C 0.964 175.625 174.700 -0.065 0.000 1.088 273 T CA 0.884 62.989 62.100 0.008 0.000 1.127 273 T CB 0.009 68.982 68.868 0.175 0.000 0.883 273 T HN 0.372 nan 8.240 nan 0.000 0.493 274 D N 1.815 122.153 120.400 -0.102 0.000 2.350 274 D HA -0.010 4.628 4.640 -0.004 0.000 0.216 274 D C 2.072 178.309 176.300 -0.104 0.000 0.968 274 D CA 1.177 55.110 54.000 -0.112 0.000 0.894 274 D CB -0.102 40.610 40.800 -0.147 0.000 0.909 274 D HN 0.706 nan 8.370 nan 0.000 0.520 275 S N -0.897 114.744 115.700 -0.098 0.000 2.540 275 S HA 0.127 4.595 4.470 -0.004 0.000 0.218 275 S C 1.917 176.443 174.600 -0.123 0.000 0.977 275 S CA -0.310 57.846 58.200 -0.074 0.000 0.918 275 S CB -0.120 63.069 63.200 -0.019 0.000 0.806 275 S HN 0.136 nan 8.310 nan 0.000 0.496 276 L N 2.287 123.361 121.223 -0.248 0.000 2.042 276 L HA -0.083 4.255 4.340 -0.004 0.000 0.210 276 L C 2.792 179.367 176.870 -0.490 0.000 1.076 276 L CA 1.603 56.139 54.840 -0.505 0.000 0.749 276 L CB -0.771 40.690 42.059 -0.997 0.000 0.893 276 L HN 0.579 nan 8.230 nan 0.000 0.432 277 S N -2.669 112.842 115.700 -0.314 0.000 2.603 277 S HA 0.030 4.498 4.470 -0.004 0.000 0.220 277 S C 1.654 176.272 174.600 0.031 0.000 0.967 277 S CA 0.505 58.694 58.200 -0.018 0.000 0.920 277 S CB 0.275 63.514 63.200 0.066 0.000 0.773 277 S HN 0.244 nan 8.310 nan 0.000 0.529 278 S N 0.604 116.298 115.700 -0.010 0.000 2.506 278 S HA 0.341 4.808 4.470 -0.004 0.000 0.219 278 S C 0.532 175.150 174.600 0.030 0.000 1.031 278 S CA 0.136 58.346 58.200 0.017 0.000 0.911 278 S CB 0.629 63.832 63.200 0.006 0.000 0.812 278 S HN 0.642 nan 8.310 nan 0.000 0.497 279 V N 0.100 120.030 119.914 0.026 0.000 2.864 279 V HA 0.601 4.719 4.120 -0.004 0.000 0.314 279 V C 1.181 177.321 176.094 0.076 0.000 1.073 279 V CA -0.336 61.991 62.300 0.044 0.000 0.956 279 V CB 1.132 32.977 31.823 0.038 0.000 1.023 279 V HN 0.241 nan 8.190 nan 0.000 0.435 280 T N -1.123 113.479 114.554 0.078 0.000 2.857 280 T HA 0.005 4.353 4.350 -0.004 0.000 0.266 280 T C 0.789 175.567 174.700 0.130 0.000 1.048 280 T CA 1.611 63.774 62.100 0.105 0.000 1.139 280 T CB -0.360 68.549 68.868 0.068 0.000 0.874 280 T HN 0.760 nan 8.240 nan 0.000 0.455 281 N N 1.260 120.014 118.700 0.090 0.000 2.690 281 N HA 0.536 5.274 4.740 -0.004 0.000 0.255 281 N C -0.881 174.683 175.510 0.091 0.000 1.195 281 N CA -0.304 52.808 53.050 0.105 0.000 0.790 281 N CB 1.055 39.541 38.487 -0.002 0.000 1.216 281 N HN 0.568 nan 8.380 nan 0.000 0.528 282 A N 1.667 124.547 122.820 0.100 0.000 2.567 282 A HA 0.208 4.525 4.320 -0.004 0.000 0.240 282 A C 0.371 178.019 177.584 0.107 0.000 1.053 282 A CA 0.464 52.551 52.037 0.083 0.000 0.755 282 A CB -0.229 18.802 19.000 0.051 0.000 0.978 282 A HN 0.517 nan 8.150 nan 0.000 0.507 283 T N 2.967 117.589 114.554 0.114 0.000 2.794 283 T HA 0.297 4.645 4.350 -0.004 0.000 0.296 283 T C 0.463 175.262 174.700 0.165 0.000 0.949 283 T CA 0.158 62.334 62.100 0.127 0.000 1.101 283 T CB 0.609 69.553 68.868 0.127 0.000 0.905 283 T HN 0.546 nan 8.240 nan 0.000 0.516 284 S N 3.988 119.777 115.700 0.148 0.000 2.411 284 S HA 0.291 4.759 4.470 -0.004 0.000 0.294 284 S C 0.379 175.137 174.600 0.264 0.000 1.115 284 S CA -0.755 57.547 58.200 0.170 0.000 1.071 284 S CB -0.115 63.106 63.200 0.035 0.000 0.967 284 S HN 0.429 nan 8.310 nan 0.000 0.488 285 I N 3.737 124.471 120.570 0.273 0.000 2.416 285 I HA 0.191 4.358 4.170 -0.004 0.000 0.288 285 I C 0.729 176.960 176.117 0.191 0.000 1.051 285 I CA -0.052 61.414 61.300 0.277 0.000 1.375 285 I CB 0.374 38.613 38.000 0.399 0.000 1.407 285 I HN 0.630 nan 8.210 nan 0.000 0.516 286 Q N 6.131 126.007 119.800 0.126 0.000 2.259 286 Q HA 0.495 4.833 4.340 -0.004 0.000 0.249 286 Q C -1.074 174.854 176.000 -0.119 0.000 0.914 286 Q CA -0.446 55.237 55.803 -0.201 0.000 0.904 286 Q CB 1.319 29.861 28.738 -0.326 0.000 1.213 286 Q HN 0.566 nan 8.270 nan 0.000 0.428 287 I N 3.887 124.369 120.570 -0.148 0.000 2.390 287 I HA 0.194 4.362 4.170 -0.004 0.000 0.283 287 I C 0.118 176.224 176.117 -0.018 0.000 1.016 287 I CA -0.684 60.610 61.300 -0.011 0.000 1.151 287 I CB 1.606 39.644 38.000 0.064 0.000 1.293 287 I HN 0.698 nan 8.210 nan 0.000 0.458 288 T N 3.030 117.534 114.554 -0.083 0.000 2.899 288 T HA 0.624 4.972 4.350 -0.004 0.000 0.295 288 T C 0.416 174.921 174.700 -0.325 0.000 1.033 288 T CA -0.775 61.219 62.100 -0.176 0.000 1.084 288 T CB 1.578 70.342 68.868 -0.173 0.000 0.979 288 T HN 0.568 nan 8.240 nan 0.000 0.532 289 A N 3.873 126.270 122.820 -0.703 0.000 2.425 289 A HA 0.553 4.871 4.320 -0.004 0.000 0.242 289 A C -1.720 175.390 177.584 -0.790 0.000 1.077 289 A CA -1.476 49.727 52.037 -1.390 0.000 0.781 289 A CB -0.632 17.188 19.000 -1.967 0.000 1.020 289 A HN 0.840 nan 8.150 nan 0.000 0.494 290 P HA 0.165 nan 4.420 nan 0.000 0.272 290 P C 0.738 177.828 177.300 -0.351 0.000 1.240 290 P CA 0.502 63.372 63.100 -0.384 0.000 0.791 290 P CB 0.852 32.395 31.700 -0.261 0.000 0.978 291 A N 2.321 125.005 122.820 -0.226 0.000 1.948 291 A HA -0.211 4.107 4.320 -0.004 0.000 0.220 291 A C 2.241 179.719 177.584 -0.177 0.000 1.177 291 A CA 2.528 54.454 52.037 -0.185 0.000 0.636 291 A CB -1.876 17.049 19.000 -0.125 0.000 0.815 291 A HN 0.688 nan 8.150 nan 0.000 0.449 292 S N -1.306 114.309 115.700 -0.142 0.000 2.465 292 S HA -0.112 4.356 4.470 -0.004 0.000 0.241 292 S C 1.705 176.224 174.600 -0.135 0.000 1.000 292 S CA 1.617 59.756 58.200 -0.102 0.000 0.964 292 S CB -0.294 62.919 63.200 0.022 0.000 0.763 292 S HN 0.434 nan 8.310 nan 0.000 0.512 293 M N 0.588 120.040 119.600 -0.247 0.000 2.657 293 M HA 0.365 4.843 4.480 -0.004 0.000 0.262 293 M C 2.004 178.038 176.300 -0.444 0.000 1.213 293 M CA 0.584 55.670 55.300 -0.355 0.000 1.182 293 M CB -1.059 31.169 32.600 -0.620 0.000 1.303 293 M HN 0.307 nan 8.290 nan 0.000 0.501 294 L N 1.111 122.064 121.223 -0.450 0.000 2.265 294 L HA -0.158 4.180 4.340 -0.004 0.000 0.215 294 L C 2.335 179.134 176.870 -0.118 0.000 1.117 294 L CA 0.779 55.447 54.840 -0.287 0.000 0.782 294 L CB -0.913 40.994 42.059 -0.254 0.000 0.914 294 L HN 0.318 nan 8.230 nan 0.000 0.441 295 I N -2.499 118.000 120.570 -0.118 0.000 2.567 295 I HA 0.045 4.213 4.170 -0.004 0.000 0.257 295 I C 1.109 177.203 176.117 -0.039 0.000 1.184 295 I CA 0.880 62.135 61.300 -0.075 0.000 1.451 295 I CB -0.545 37.402 38.000 -0.088 0.000 1.089 295 I HN 0.105 nan 8.210 nan 0.000 0.441 296 G N -0.076 108.719 108.800 -0.009 0.000 2.782 296 G HA2 0.304 4.262 3.960 -0.004 0.000 0.304 296 G HA3 0.304 4.262 3.960 -0.004 0.000 0.304 296 G C -1.791 173.161 174.900 0.087 0.000 1.315 296 G CA -0.587 44.523 45.100 0.016 0.000 0.791 296 G HN 0.015 nan 8.290 nan 0.000 0.519 297 D N 1.140 121.544 120.400 0.006 0.000 2.443 297 D HA 0.404 5.042 4.640 -0.004 0.000 0.239 297 D C 0.402 176.644 176.300 -0.097 0.000 1.136 297 D CA 0.700 54.647 54.000 -0.089 0.000 0.879 297 D CB 0.485 41.192 40.800 -0.155 0.000 1.195 297 D HN 0.534 nan 8.370 nan 0.000 0.443 298 H N -0.817 118.115 119.070 -0.231 0.000 2.933 298 H HA 0.482 5.036 4.556 -0.004 0.000 0.310 298 H C -1.328 173.875 175.328 -0.209 0.000 1.351 298 H CA -0.799 55.122 56.048 -0.212 0.000 1.137 298 H CB 0.439 30.208 29.762 0.013 0.000 1.853 298 H HN 0.313 nan 8.280 nan 0.000 0.539 299 Y N -0.181 120.361 120.300 0.403 0.000 2.553 299 Y HA 0.402 4.950 4.550 -0.004 0.000 0.347 299 Y C -0.541 175.663 175.900 0.507 0.000 1.019 299 Y CA -1.109 57.241 58.100 0.416 0.000 1.032 299 Y CB 2.032 40.596 38.460 0.174 0.000 1.284 299 Y HN 0.498 nan 8.280 nan 0.000 0.466 300 L N 2.898 124.500 121.223 0.632 0.000 2.265 300 L HA 0.452 4.790 4.340 -0.004 0.000 0.288 300 L C 0.381 177.352 176.870 0.168 0.000 1.058 300 L CA -0.251 54.616 54.840 0.046 0.000 0.809 300 L CB 0.550 42.514 42.059 -0.157 0.000 1.179 300 L HN 0.984 nan 8.230 nan 0.000 0.429 301 C N 1.286 120.532 119.300 -0.090 0.000 3.392 301 C HA 0.523 4.980 4.460 -0.004 0.000 0.301 301 C C 0.133 174.961 174.990 -0.270 0.000 1.354 301 C CA -0.409 58.473 59.018 -0.226 0.000 1.732 301 C CB -0.752 26.903 27.740 -0.141 0.000 2.269 301 C HN 0.852 nan 8.230 nan 0.000 0.673 302 D N 0.164 120.443 120.400 -0.202 0.000 2.769 302 D HA 0.443 5.081 4.640 -0.004 0.000 0.219 302 D C -1.888 174.169 176.300 -0.405 0.000 1.245 302 D CA 0.109 54.011 54.000 -0.162 0.000 0.801 302 D CB 2.765 43.457 40.800 -0.180 0.000 1.598 302 D HN 0.049 nan 8.370 nan 0.000 0.485 303 V N 2.320 121.942 119.914 -0.486 0.000 2.569 303 V HA 0.560 4.678 4.120 -0.004 0.000 0.301 303 V C -0.531 175.194 176.094 -0.615 0.000 1.044 303 V CA -0.393 61.371 62.300 -0.894 0.000 0.874 303 V CB 1.985 32.765 31.823 -1.739 0.000 1.002 303 V HN 0.653 nan 8.190 nan 0.000 0.424 304 T N 3.543 117.810 114.554 -0.478 0.000 3.143 304 T HA 0.332 4.680 4.350 -0.004 0.000 0.312 304 T C -0.868 173.708 174.700 -0.206 0.000 0.986 304 T CA -0.471 61.510 62.100 -0.198 0.000 1.024 304 T CB 0.755 69.583 68.868 -0.067 0.000 1.030 304 T HN 0.522 nan 8.240 nan 0.000 0.448 305 W N 2.020 123.256 121.300 -0.107 0.000 2.190 305 W HA 0.476 5.134 4.660 -0.003 0.000 0.330 305 W C 1.148 177.527 176.519 -0.234 0.000 1.299 305 W CA -0.213 57.058 57.345 -0.123 0.000 1.215 305 W CB 0.621 30.096 29.460 0.024 0.000 1.147 305 W HN 0.830 nan 8.180 nan 0.000 0.563 306 A N 1.648 124.371 122.820 -0.163 0.000 1.944 306 A HA 0.228 4.546 4.320 -0.004 0.000 0.207 306 A C 0.796 178.338 177.584 -0.069 0.000 1.265 306 A CA 1.429 53.131 52.037 -0.558 0.000 0.712 306 A CB -0.323 17.890 19.000 -1.312 0.000 0.915 306 A HN 0.526 nan 8.150 nan 0.000 0.470 307 T N -5.372 109.239 114.554 0.095 0.000 2.696 307 T HA 0.345 4.692 4.350 -0.004 0.000 0.291 307 T C 0.129 174.979 174.700 0.249 0.000 1.095 307 T CA -0.334 61.860 62.100 0.156 0.000 1.026 307 T CB 0.727 69.676 68.868 0.134 0.000 1.390 307 T HN -0.026 nan 8.240 nan 0.000 0.513 308 Q N 0.372 120.284 119.800 0.187 0.000 2.234 308 Q HA -0.023 4.315 4.340 -0.004 0.000 0.206 308 Q C 0.756 176.999 176.000 0.404 0.000 0.980 308 Q CA 1.561 57.478 55.803 0.190 0.000 0.869 308 Q CB -0.176 28.640 28.738 0.130 0.000 0.912 308 Q HN 0.838 nan 8.270 nan 0.000 0.436 309 E N -0.219 120.230 120.200 0.414 0.000 2.968 309 E HA 0.218 4.566 4.350 -0.004 0.000 0.202 309 E C -0.280 176.608 176.600 0.479 0.000 0.979 309 E CA -0.174 56.507 56.400 0.470 0.000 1.192 309 E CB 1.021 30.898 29.700 0.295 0.000 1.059 309 E HN -0.027 nan 8.360 nan 0.000 0.470 310 R N 1.642 122.449 120.500 0.512 0.000 2.533 310 R HA 0.511 4.849 4.340 -0.004 0.000 0.288 310 R C -1.799 174.564 176.300 0.105 0.000 1.039 310 R CA -0.441 55.834 56.100 0.292 0.000 0.909 310 R CB 1.375 31.732 30.300 0.094 0.000 1.195 310 R HN 0.112 nan 8.270 nan 0.000 0.438 311 I N 2.892 123.362 120.570 -0.168 0.000 2.689 311 I HA 0.459 4.627 4.170 -0.004 0.000 0.299 311 I C -0.922 174.903 176.117 -0.487 0.000 1.059 311 I CA -0.523 60.411 61.300 -0.611 0.000 1.055 311 I CB 2.333 39.512 38.000 -1.368 0.000 1.243 311 I HN 0.836 nan 8.210 nan 0.000 0.425 312 S N 7.435 122.829 115.700 -0.511 0.000 2.503 312 S HA 0.801 5.268 4.470 -0.004 0.000 0.301 312 S C -1.080 173.208 174.600 -0.519 0.000 1.087 312 S CA -0.705 57.266 58.200 -0.381 0.000 1.042 312 S CB 1.709 64.793 63.200 -0.193 0.000 1.043 312 S HN 0.562 nan 8.310 nan 0.000 0.489 313 L N 1.694 122.625 121.223 -0.486 0.000 2.422 313 L HA 0.561 4.899 4.340 -0.004 0.000 0.264 313 L C -0.588 175.985 176.870 -0.495 0.000 0.984 313 L CA -0.690 53.745 54.840 -0.673 0.000 0.819 313 L CB 2.349 43.879 42.059 -0.882 0.000 1.330 313 L HN 0.696 nan 8.230 nan 0.000 0.410 314 Q N 1.373 120.842 119.800 -0.551 0.000 2.337 314 Q HA 0.470 4.808 4.340 -0.004 0.000 0.266 314 Q C -1.785 173.989 176.000 -0.377 0.000 1.023 314 Q CA -0.595 55.020 55.803 -0.314 0.000 0.829 314 Q CB 2.644 31.253 28.738 -0.215 0.000 1.306 314 Q HN 0.405 nan 8.270 nan 0.000 0.449 315 W N 2.255 123.517 121.300 -0.064 0.000 2.706 315 W HA 0.644 5.302 4.660 -0.003 0.000 0.346 315 W C -0.951 175.610 176.519 0.069 0.000 1.071 315 W CA -0.680 56.680 57.345 0.024 0.000 1.206 315 W CB 1.154 30.608 29.460 -0.009 0.000 1.413 315 W HN 0.386 nan 8.180 nan 0.000 0.542 316 L N 2.642 124.110 121.223 0.409 0.000 2.410 316 L HA 0.560 4.898 4.340 -0.004 0.000 0.270 316 L C -0.117 176.964 176.870 0.352 0.000 0.983 316 L CA -1.086 53.950 54.840 0.328 0.000 0.822 316 L CB 1.303 43.532 42.059 0.282 0.000 1.285 316 L HN 0.399 nan 8.230 nan 0.000 0.409 317 R N 2.565 123.230 120.500 0.275 0.000 2.694 317 R HA 0.172 4.510 4.340 -0.004 0.000 0.268 317 R C 1.039 177.408 176.300 0.114 0.000 1.061 317 R CA -0.051 56.154 56.100 0.176 0.000 1.133 317 R CB 0.539 30.929 30.300 0.149 0.000 1.020 317 R HN 0.663 nan 8.270 nan 0.000 0.475 318 R N 1.499 121.968 120.500 -0.052 0.000 2.117 318 R HA -0.106 4.232 4.340 -0.004 0.000 0.243 318 R C 0.432 176.783 176.300 0.085 0.000 1.143 318 R CA 1.231 57.279 56.100 -0.087 0.000 0.968 318 R CB 0.136 30.344 30.300 -0.153 0.000 0.863 318 R HN 0.387 nan 8.270 nan 0.000 0.444 319 I N 2.881 123.489 120.570 0.064 0.000 2.278 319 I HA -0.002 4.166 4.170 -0.004 0.000 0.296 319 I C 0.310 176.494 176.117 0.110 0.000 1.121 319 I CA 0.389 61.732 61.300 0.070 0.000 1.267 319 I CB 0.689 38.716 38.000 0.045 0.000 1.447 319 I HN 0.294 nan 8.210 nan 0.000 0.509 320 Q N 4.098 123.966 119.800 0.113 0.000 2.401 320 Q HA -0.121 4.217 4.340 -0.004 0.000 0.202 320 Q C 0.644 176.732 176.000 0.146 0.000 0.914 320 Q CA 0.244 56.127 55.803 0.133 0.000 1.006 320 Q CB -0.382 28.394 28.738 0.063 0.000 1.041 320 Q HN 0.636 nan 8.270 nan 0.000 0.501 321 N N -0.949 117.838 118.700 0.145 0.000 2.204 321 N HA -0.035 4.703 4.740 -0.004 0.000 0.219 321 N C -1.067 174.556 175.510 0.188 0.000 1.151 321 N CA -0.209 52.917 53.050 0.128 0.000 0.867 321 N CB 0.296 38.833 38.487 0.084 0.000 1.043 321 N HN 0.189 nan 8.380 nan 0.000 0.516 322 Y N 1.138 121.471 120.300 0.054 0.000 2.361 322 Y HA 0.524 5.072 4.550 -0.004 0.000 0.328 322 Y C -1.173 174.770 175.900 0.072 0.000 1.044 322 Y CA -0.871 57.259 58.100 0.050 0.000 1.085 322 Y CB 1.496 39.977 38.460 0.034 0.000 1.194 322 Y HN 0.160 nan 8.280 nan 0.000 0.438 323 S N 4.225 119.799 115.700 -0.211 0.000 2.570 323 S HA 0.919 5.387 4.470 -0.004 0.000 0.286 323 S C -1.899 172.590 174.600 -0.185 0.000 1.099 323 S CA -0.761 57.395 58.200 -0.074 0.000 0.913 323 S CB 1.950 65.145 63.200 -0.008 0.000 1.085 323 S HN 0.442 nan 8.310 nan 0.000 0.480 324 V N 3.081 122.988 119.914 -0.011 0.000 2.656 324 V HA 0.560 4.677 4.120 -0.004 0.000 0.307 324 V C -0.516 175.617 176.094 0.066 0.000 1.051 324 V CA -0.662 61.639 62.300 0.001 0.000 0.893 324 V CB 1.872 33.725 31.823 0.051 0.000 0.999 324 V HN 1.032 nan 8.190 nan 0.000 0.426 325 M N 3.770 123.384 119.600 0.022 0.000 2.205 325 M HA 0.540 5.018 4.480 -0.004 0.000 0.344 325 M C -1.447 174.874 176.300 0.035 0.000 1.085 325 M CA -0.333 54.959 55.300 -0.014 0.000 1.001 325 M CB 1.275 33.808 32.600 -0.112 0.000 1.626 325 M HN 0.597 nan 8.290 nan 0.000 0.442 326 D N 5.105 125.517 120.400 0.021 0.000 2.181 326 D HA 0.542 5.180 4.640 -0.004 0.000 0.248 326 D C -0.920 175.358 176.300 -0.036 0.000 1.020 326 D CA -0.040 53.971 54.000 0.020 0.000 0.891 326 D CB 1.952 42.782 40.800 0.049 0.000 1.187 326 D HN 0.622 nan 8.370 nan 0.000 0.443 327 I N 2.190 122.764 120.570 0.007 0.000 2.411 327 I HA 0.257 4.425 4.170 -0.004 0.000 0.284 327 I C -0.651 175.475 176.117 0.015 0.000 1.012 327 I CA -0.578 60.720 61.300 -0.003 0.000 1.119 327 I CB 1.219 39.276 38.000 0.095 0.000 1.261 327 I HN 0.163 nan 8.210 nan 0.000 0.448 328 c N 3.765 122.362 118.600 -0.006 0.000 2.351 328 c HA 0.552 5.120 4.570 -0.004 0.000 0.326 328 c C -0.220 174.030 174.090 0.267 0.000 1.272 328 c CA -0.754 55.642 56.329 0.112 0.000 1.650 328 c CB 0.899 43.471 42.510 0.104 0.000 2.257 328 c HN 0.574 nan 8.230 nan 0.000 0.505 329 D N 0.297 120.834 120.400 0.229 0.000 2.185 329 D HA 0.328 4.966 4.640 -0.004 0.000 0.247 329 D C -0.622 175.610 176.300 -0.114 0.000 1.027 329 D CA -0.214 53.873 54.000 0.145 0.000 0.861 329 D CB 0.797 41.627 40.800 0.051 0.000 1.202 329 D HN 0.579 nan 8.370 nan 0.000 0.453 330 Y N 1.429 121.339 120.300 -0.651 0.000 2.377 330 Y HA 0.215 4.763 4.550 -0.003 0.000 0.330 330 Y C -0.190 175.414 175.900 -0.493 0.000 1.108 330 Y CA -0.267 57.131 58.100 -1.170 0.000 1.308 330 Y CB 0.759 38.511 38.460 -1.181 0.000 1.216 330 Y HN 0.166 nan 8.280 nan 0.000 0.518 331 D N 5.396 125.162 120.400 -1.057 0.000 2.473 331 D HA 0.075 4.713 4.640 -0.004 0.000 0.226 331 D C 0.772 176.515 176.300 -0.929 0.000 1.089 331 D CA -0.152 53.435 54.000 -0.688 0.000 0.883 331 D CB 0.585 41.134 40.800 -0.417 0.000 1.029 331 D HN 0.859 nan 8.370 nan 0.000 0.517 332 E N 1.877 121.689 120.200 -0.647 0.000 2.333 332 E HA -0.218 4.130 4.350 -0.004 0.000 0.200 332 E C 1.200 177.688 176.600 -0.187 0.000 1.010 332 E CA 1.236 57.448 56.400 -0.315 0.000 0.841 332 E CB 0.369 30.070 29.700 0.001 0.000 0.757 332 E HN 0.481 nan 8.360 nan 0.000 0.508 333 S N -0.888 114.691 115.700 -0.201 0.000 2.458 333 S HA -0.040 4.428 4.470 -0.004 0.000 0.223 333 S C 1.906 176.438 174.600 -0.113 0.000 1.019 333 S CA 0.723 58.855 58.200 -0.113 0.000 0.937 333 S CB 0.321 63.468 63.200 -0.088 0.000 0.788 333 S HN 0.227 nan 8.310 nan 0.000 0.511 334 S N -0.284 115.308 115.700 -0.180 0.000 2.523 334 S HA 0.475 4.943 4.470 -0.004 0.000 0.217 334 S C 1.587 176.112 174.600 -0.126 0.000 0.996 334 S CA 0.543 58.666 58.200 -0.128 0.000 0.921 334 S CB -0.277 62.850 63.200 -0.122 0.000 0.829 334 S HN 1.463 nan 8.310 nan 0.000 0.495 335 G N 2.116 110.763 108.800 -0.254 0.000 2.187 335 G HA2 -0.250 3.708 3.960 -0.004 0.000 0.261 335 G HA3 -0.250 3.708 3.960 -0.004 0.000 0.261 335 G C 0.147 175.016 174.900 -0.052 0.000 1.000 335 G CA 0.409 45.453 45.100 -0.094 0.000 0.718 335 G HN 0.541 nan 8.290 nan 0.000 0.519 336 R N -1.648 118.702 120.500 -0.250 0.000 2.797 336 R HA 0.685 5.023 4.340 -0.004 0.000 0.251 336 R C -0.717 175.423 176.300 -0.267 0.000 1.107 336 R CA -0.930 55.120 56.100 -0.083 0.000 1.084 336 R CB 0.564 30.844 30.300 -0.032 0.000 1.205 336 R HN 0.187 nan 8.270 nan 0.000 0.515 337 W N 0.350 121.643 121.300 -0.011 0.000 2.471 337 W HA 0.411 5.069 4.660 -0.004 0.000 0.318 337 W C -0.394 176.101 176.519 -0.039 0.000 1.034 337 W CA -0.389 56.946 57.345 -0.017 0.000 1.224 337 W CB 1.098 30.552 29.460 -0.010 0.000 1.335 337 W HN 0.402 nan 8.180 nan 0.000 0.452 338 N N 2.021 120.797 118.700 0.127 0.000 2.321 338 N HA 0.558 5.296 4.740 -0.004 0.000 0.299 338 N C -1.515 174.038 175.510 0.072 0.000 1.048 338 N CA -0.686 52.404 53.050 0.066 0.000 0.836 338 N CB 1.325 39.812 38.487 -0.001 0.000 1.269 338 N HN 0.191 nan 8.380 nan 0.000 0.486 339 c N 2.826 121.453 118.600 0.045 0.000 2.250 339 c HA 0.381 4.949 4.570 -0.004 0.000 0.319 339 c C 0.369 174.465 174.090 0.009 0.000 1.124 339 c CA -1.141 55.207 56.329 0.031 0.000 1.527 339 c CB -1.432 41.089 42.510 0.017 0.000 2.001 339 c HN 0.607 nan 8.230 nan 0.000 0.435 340 L N 2.567 123.798 121.223 0.013 0.000 2.513 340 L HA 0.047 4.385 4.340 -0.004 0.000 0.272 340 L C 1.634 178.497 176.870 -0.012 0.000 1.187 340 L CA 0.242 55.083 54.840 0.000 0.000 0.895 340 L CB 0.563 42.627 42.059 0.008 0.000 1.147 340 L HN 0.649 nan 8.230 nan 0.000 0.483 341 V N 4.233 124.132 119.914 -0.026 0.000 2.720 341 V HA -0.247 3.871 4.120 -0.004 0.000 0.256 341 V C 2.203 178.264 176.094 -0.055 0.000 1.082 341 V CA 2.089 64.364 62.300 -0.041 0.000 1.101 341 V CB -0.027 31.771 31.823 -0.041 0.000 0.693 341 V HN 0.986 nan 8.190 nan 0.000 0.479 342 A N -0.164 122.632 122.820 -0.041 0.000 2.172 342 A HA -0.035 4.283 4.320 -0.004 0.000 0.216 342 A C 2.142 179.689 177.584 -0.062 0.000 1.154 342 A CA 1.191 53.199 52.037 -0.048 0.000 0.701 342 A CB -0.382 18.605 19.000 -0.022 0.000 0.789 342 A HN 0.641 nan 8.150 nan 0.000 0.465 343 R N -0.967 119.509 120.500 -0.040 0.000 2.472 343 R HA 0.161 4.499 4.340 -0.004 0.000 0.279 343 R C 0.457 176.731 176.300 -0.044 0.000 0.953 343 R CA -0.171 55.938 56.100 0.015 0.000 1.088 343 R CB 0.277 30.640 30.300 0.106 0.000 1.197 343 R HN 0.589 nan 8.270 nan 0.000 0.536 344 Q N 0.929 120.637 119.800 -0.154 0.000 2.286 344 Q HA 0.106 4.444 4.340 -0.004 0.000 0.257 344 Q C -1.150 174.650 176.000 -0.332 0.000 0.941 344 Q CA -0.147 55.583 55.803 -0.121 0.000 0.912 344 Q CB 0.689 29.382 28.738 -0.075 0.000 1.192 344 Q HN 0.213 nan 8.270 nan 0.000 0.410 345 H N 2.912 121.979 119.070 -0.006 0.000 2.547 345 H HA 0.422 4.976 4.556 -0.004 0.000 0.342 345 H C -0.769 174.528 175.328 -0.052 0.000 1.048 345 H CA -0.483 55.563 56.048 -0.002 0.000 1.204 345 H CB 1.175 30.927 29.762 -0.016 0.000 1.493 345 H HN 0.528 nan 8.280 nan 0.000 0.511 346 I N 2.022 122.607 120.570 0.026 0.000 2.385 346 I HA 0.248 4.416 4.170 -0.004 0.000 0.294 346 I C 0.021 176.087 176.117 -0.085 0.000 0.988 346 I CA -0.231 61.002 61.300 -0.112 0.000 1.265 346 I CB 1.339 39.252 38.000 -0.145 0.000 1.388 346 I HN 0.570 nan 8.210 nan 0.000 0.480 347 E N 8.067 128.157 120.200 -0.183 0.000 2.265 347 E HA 0.540 4.888 4.350 -0.004 0.000 0.262 347 E C -1.266 175.238 176.600 -0.159 0.000 0.889 347 E CA -0.658 55.685 56.400 -0.094 0.000 0.789 347 E CB 1.415 31.093 29.700 -0.036 0.000 1.221 347 E HN 0.614 nan 8.360 nan 0.000 0.414 348 M N 1.082 120.630 119.600 -0.087 0.000 2.667 348 M HA 0.658 5.136 4.480 -0.004 0.000 0.286 348 M C -1.055 175.252 176.300 0.012 0.000 1.270 348 M CA -0.964 54.316 55.300 -0.033 0.000 0.826 348 M CB 2.308 34.926 32.600 0.029 0.000 1.743 348 M HN 0.232 nan 8.290 nan 0.000 0.460 349 S N -0.483 115.232 115.700 0.025 0.000 2.538 349 S HA 0.559 5.026 4.470 -0.004 0.000 0.288 349 S C 0.280 174.878 174.600 -0.003 0.000 1.108 349 S CA 0.014 58.212 58.200 -0.003 0.000 0.971 349 S CB 1.778 64.945 63.200 -0.053 0.000 1.041 349 S HN 0.918 nan 8.310 nan 0.000 0.483 350 T N 0.002 114.553 114.554 -0.005 0.000 3.037 350 T HA 0.056 4.403 4.350 -0.004 0.000 0.252 350 T C 1.489 176.174 174.700 -0.025 0.000 1.073 350 T CA 0.964 63.062 62.100 -0.004 0.000 1.091 350 T CB -0.426 68.446 68.868 0.006 0.000 0.935 350 T HN 0.675 nan 8.240 nan 0.000 0.488 351 T N -1.980 112.554 114.554 -0.034 0.000 3.015 351 T HA 0.599 4.947 4.350 -0.004 0.000 0.250 351 T C 1.149 175.691 174.700 -0.263 0.000 1.057 351 T CA 0.341 62.420 62.100 -0.034 0.000 1.066 351 T CB 0.389 69.310 68.868 0.088 0.000 0.959 351 T HN 0.605 nan 8.240 nan 0.000 0.488 352 G N 0.356 108.818 108.800 -0.563 0.000 2.726 352 G HA2 0.499 4.457 3.960 -0.004 0.000 0.198 352 G HA3 0.499 4.457 3.960 -0.004 0.000 0.198 352 G C -1.605 172.993 174.900 -0.503 0.000 1.195 352 G CA -0.629 43.852 45.100 -1.030 0.000 0.951 352 G HN 0.477 nan 8.290 nan 0.000 0.532 353 W N -0.208 120.834 121.300 -0.430 0.000 2.353 353 W HA 0.760 5.417 4.660 -0.004 0.000 0.377 353 W C -0.398 176.077 176.519 -0.073 0.000 1.375 353 W CA -1.281 55.946 57.345 -0.196 0.000 1.503 353 W CB 0.595 29.915 29.460 -0.233 0.000 1.345 353 W HN 0.258 nan 8.180 nan 0.000 0.683 354 V N 2.726 122.722 119.914 0.136 0.000 2.439 354 V HA 0.721 4.839 4.120 -0.004 0.000 0.282 354 V C 0.767 176.945 176.094 0.141 0.000 1.039 354 V CA 0.347 62.684 62.300 0.061 0.000 0.913 354 V CB 0.112 31.970 31.823 0.058 0.000 0.983 354 V HN 1.287 nan 8.190 nan 0.000 0.460 355 G N 4.962 113.802 108.800 0.066 0.000 2.795 355 G HA2 -0.189 3.768 3.960 -0.004 0.000 0.664 355 G HA3 -0.189 3.768 3.960 -0.004 0.000 0.664 355 G C 0.290 175.291 174.900 0.168 0.000 1.381 355 G CA 0.247 45.412 45.100 0.109 0.000 0.853 355 G HN 0.657 nan 8.290 nan 0.000 0.545 356 R N -0.887 119.698 120.500 0.142 0.000 2.057 356 R HA 0.180 4.518 4.340 -0.004 0.000 0.229 356 R C 1.907 178.155 176.300 -0.085 0.000 1.136 356 R CA 2.082 58.211 56.100 0.048 0.000 0.952 356 R CB -0.080 30.246 30.300 0.044 0.000 0.848 356 R HN 0.458 nan 8.270 nan 0.000 0.430 357 F N -0.776 119.319 119.950 0.241 0.000 2.817 357 F HA 0.279 4.804 4.527 -0.003 0.000 0.333 357 F C 0.079 175.904 175.800 0.042 0.000 1.085 357 F CA -0.466 57.611 58.000 0.129 0.000 1.170 357 F CB 0.812 39.886 39.000 0.123 0.000 1.066 357 F HN -0.100 nan 8.300 nan 0.000 0.564 358 R N -1.528 119.099 120.500 0.213 0.000 2.825 358 R HA 0.362 4.700 4.340 -0.004 0.000 0.274 358 R C -3.416 172.939 176.300 0.091 0.000 1.026 358 R CA -1.744 54.414 56.100 0.096 0.000 0.867 358 R CB 0.006 30.306 30.300 0.001 0.000 1.268 358 R HN -0.350 nan 8.270 nan 0.000 0.491 359 P HA -0.024 nan 4.420 nan 0.000 0.265 359 P C -0.288 177.030 177.300 0.031 0.000 1.187 359 P CA 0.089 63.209 63.100 0.033 0.000 0.766 359 P CB 0.696 32.393 31.700 -0.005 0.000 0.820 360 S N 1.675 117.406 115.700 0.051 0.000 2.593 360 S HA 0.163 4.630 4.470 -0.004 0.000 0.269 360 S C 0.183 174.802 174.600 0.031 0.000 1.334 360 S CA -0.691 57.555 58.200 0.076 0.000 1.015 360 S CB 0.395 63.663 63.200 0.114 0.000 0.912 360 S HN 0.521 nan 8.310 nan 0.000 0.541 361 E N 1.636 121.873 120.200 0.062 0.000 2.301 361 E HA 0.403 4.751 4.350 -0.004 0.000 0.275 361 E C -2.791 173.801 176.600 -0.014 0.000 1.030 361 E CA -2.309 54.084 56.400 -0.012 0.000 0.852 361 E CB 0.494 30.192 29.700 -0.005 0.000 1.060 361 E HN 0.463 nan 8.360 nan 0.000 0.401 362 P HA 0.251 nan 4.420 nan 0.000 0.281 362 P C -0.762 176.420 177.300 -0.197 0.000 1.249 362 P CA -0.357 62.614 63.100 -0.216 0.000 0.810 362 P CB 0.826 32.039 31.700 -0.811 0.000 1.008 363 H N 1.777 120.872 119.070 0.041 0.000 2.792 363 H HA 0.291 4.845 4.556 -0.004 0.000 0.298 363 H C -0.345 175.124 175.328 0.234 0.000 1.042 363 H CA -0.326 55.839 56.048 0.195 0.000 1.300 363 H CB 0.285 30.181 29.762 0.222 0.000 1.431 363 H HN 0.297 nan 8.280 nan 0.000 0.496 364 F N 1.838 121.975 119.950 0.311 0.000 2.389 364 F HA 0.068 4.593 4.527 -0.004 0.000 0.337 364 F C 1.610 177.608 175.800 0.330 0.000 1.112 364 F CA -0.470 57.728 58.000 0.331 0.000 1.192 364 F CB 0.924 40.051 39.000 0.212 0.000 1.185 364 F HN 0.353 nan 8.300 nan 0.000 0.552 365 T N 0.572 115.435 114.554 0.516 0.000 2.860 365 T HA 0.111 4.459 4.350 -0.004 0.000 0.299 365 T C 1.150 176.048 174.700 0.330 0.000 1.045 365 T CA -0.806 61.532 62.100 0.398 0.000 1.071 365 T CB 0.779 69.867 68.868 0.367 0.000 0.985 365 T HN 0.592 nan 8.240 nan 0.000 0.537 366 L N 1.493 122.863 121.223 0.244 0.000 2.034 366 L HA -0.157 4.181 4.340 -0.004 0.000 0.217 366 L C 2.037 179.017 176.870 0.183 0.000 1.077 366 L CA 2.568 57.524 54.840 0.193 0.000 0.769 366 L CB -1.137 41.010 42.059 0.147 0.000 0.890 366 L HN 0.964 nan 8.230 nan 0.000 0.435 367 D N -1.379 119.131 120.400 0.183 0.000 2.363 367 D HA 0.075 4.713 4.640 -0.004 0.000 0.226 367 D C 1.648 178.058 176.300 0.184 0.000 1.020 367 D CA 0.742 54.839 54.000 0.162 0.000 0.892 367 D CB -0.682 40.203 40.800 0.142 0.000 0.900 367 D HN 0.489 nan 8.370 nan 0.000 0.531 368 G N 0.615 109.562 108.800 0.245 0.000 2.175 368 G HA2 -0.380 3.578 3.960 -0.004 0.000 0.265 368 G HA3 -0.380 3.578 3.960 -0.004 0.000 0.265 368 G C 0.960 176.064 174.900 0.340 0.000 0.979 368 G CA 0.478 45.739 45.100 0.268 0.000 0.663 368 G HN 0.412 nan 8.290 nan 0.000 0.533 369 N N 0.188 119.062 118.700 0.289 0.000 2.353 369 N HA 0.185 4.923 4.740 -0.004 0.000 0.185 369 N C 0.886 176.528 175.510 0.219 0.000 1.098 369 N CA 1.133 54.325 53.050 0.236 0.000 0.872 369 N CB 0.462 39.042 38.487 0.156 0.000 0.970 369 N HN 0.922 nan 8.380 nan 0.000 0.467 370 S N -0.403 115.464 115.700 0.278 0.000 2.596 370 S HA 0.751 5.218 4.470 -0.004 0.000 0.270 370 S C -1.030 173.660 174.600 0.150 0.000 1.155 370 S CA -1.004 57.232 58.200 0.060 0.000 0.827 370 S CB 1.658 64.811 63.200 -0.078 0.000 1.130 370 S HN 0.117 nan 8.310 nan 0.000 0.467 371 F N -1.773 118.018 119.950 -0.264 0.000 2.668 371 F HA 0.828 5.352 4.527 -0.004 0.000 0.309 371 F C -2.154 173.481 175.800 -0.275 0.000 1.117 371 F CA -1.509 56.274 58.000 -0.361 0.000 0.951 371 F CB 0.563 38.907 39.000 -1.094 0.000 1.323 371 F HN 0.602 nan 8.300 nan 0.000 0.451 372 Y N 1.216 121.669 120.300 0.254 0.000 2.387 372 Y HA 0.704 5.252 4.550 -0.004 0.000 0.336 372 Y C -0.230 175.839 175.900 0.282 0.000 1.067 372 Y CA -0.886 57.349 58.100 0.225 0.000 1.114 372 Y CB 2.096 40.638 38.460 0.136 0.000 1.208 372 Y HN 0.759 nan 8.280 nan 0.000 0.458 373 K N 2.581 123.204 120.400 0.373 0.000 2.543 373 K HA 0.512 4.830 4.320 -0.004 0.000 0.255 373 K C -1.849 174.896 176.600 0.240 0.000 0.934 373 K CA -0.486 55.981 56.287 0.300 0.000 0.810 373 K CB 1.437 34.085 32.500 0.247 0.000 1.315 373 K HN 0.727 nan 8.250 nan 0.000 0.433 374 I N 6.554 127.240 120.570 0.193 0.000 2.396 374 I HA 0.266 4.434 4.170 -0.004 0.000 0.289 374 I C 0.151 176.368 176.117 0.167 0.000 1.056 374 I CA -0.300 61.095 61.300 0.159 0.000 1.365 374 I CB 0.288 38.360 38.000 0.120 0.000 1.407 374 I HN 0.517 nan 8.210 nan 0.000 0.509 375 I N 2.115 122.816 120.570 0.219 0.000 2.994 375 I HA 0.469 4.637 4.170 -0.004 0.000 0.306 375 I C -0.319 175.940 176.117 0.236 0.000 1.195 375 I CA -0.798 60.629 61.300 0.212 0.000 1.001 375 I CB 2.169 40.309 38.000 0.233 0.000 1.244 375 I HN 0.334 nan 8.210 nan 0.000 0.437 376 S N 2.896 118.668 115.700 0.120 0.000 2.510 376 S HA 0.239 4.707 4.470 -0.004 0.000 0.279 376 S C 0.010 174.651 174.600 0.069 0.000 1.284 376 S CA -0.497 57.712 58.200 0.016 0.000 1.059 376 S CB -0.338 62.813 63.200 -0.082 0.000 0.901 376 S HN 0.812 nan 8.310 nan 0.000 0.491 377 N N 4.198 122.817 118.700 -0.134 0.000 2.366 377 N HA 0.167 4.905 4.740 -0.004 0.000 0.277 377 N C 0.810 176.230 175.510 -0.150 0.000 1.275 377 N CA -0.364 52.476 53.050 -0.350 0.000 0.964 377 N CB 0.001 37.871 38.487 -1.030 0.000 1.167 377 N HN 0.551 nan 8.380 nan 0.000 0.568 378 E N -0.570 119.547 120.200 -0.138 0.000 2.267 378 E HA -0.154 4.193 4.350 -0.004 0.000 0.197 378 E C 0.636 177.188 176.600 -0.080 0.000 0.998 378 E CA 0.989 57.344 56.400 -0.074 0.000 0.830 378 E CB -0.076 29.587 29.700 -0.061 0.000 0.751 378 E HN 0.602 nan 8.360 nan 0.000 0.491 379 E N -0.509 119.636 120.200 -0.092 0.000 2.435 379 E HA 0.023 4.370 4.350 -0.004 0.000 0.195 379 E C 1.304 177.894 176.600 -0.017 0.000 1.029 379 E CA 0.676 57.068 56.400 -0.014 0.000 0.865 379 E CB 0.523 30.245 29.700 0.036 0.000 0.833 379 E HN 0.393 nan 8.360 nan 0.000 0.510 380 G N 0.715 109.450 108.800 -0.108 0.000 2.159 380 G HA2 -0.259 3.699 3.960 -0.004 0.000 0.227 380 G HA3 -0.259 3.699 3.960 -0.004 0.000 0.227 380 G C -0.270 174.386 174.900 -0.407 0.000 0.986 380 G CA -0.086 44.853 45.100 -0.269 0.000 0.651 380 G HN 0.185 nan 8.290 nan 0.000 0.523 381 Y N 0.674 120.837 120.300 -0.227 0.000 2.342 381 Y HA 0.650 5.198 4.550 -0.004 0.000 0.334 381 Y C 1.149 176.878 175.900 -0.285 0.000 1.067 381 Y CA -0.932 57.015 58.100 -0.256 0.000 1.128 381 Y CB 0.995 39.308 38.460 -0.244 0.000 1.200 381 Y HN 0.075 nan 8.280 nan 0.000 0.464 382 R N 3.776 124.143 120.500 -0.222 0.000 2.316 382 R HA 0.244 4.582 4.340 -0.004 0.000 0.314 382 R C -0.733 175.289 176.300 -0.464 0.000 1.069 382 R CA 0.039 56.014 56.100 -0.208 0.000 0.959 382 R CB 0.072 30.301 30.300 -0.118 0.000 0.987 382 R HN 0.660 nan 8.270 nan 0.000 0.446 383 H N 1.642 120.678 119.070 -0.057 0.000 2.949 383 H HA 0.323 4.877 4.556 -0.004 0.000 0.356 383 H C -0.151 175.258 175.328 0.134 0.000 1.212 383 H CA -0.962 55.033 56.048 -0.089 0.000 1.136 383 H CB 1.627 31.207 29.762 -0.303 0.000 1.869 383 H HN 0.320 nan 8.280 nan 0.000 0.556 384 I N 1.307 121.974 120.570 0.162 0.000 2.471 384 I HA 0.023 4.191 4.170 -0.004 0.000 0.286 384 I C 0.355 176.540 176.117 0.114 0.000 1.079 384 I CA 0.214 61.581 61.300 0.112 0.000 1.398 384 I CB 0.297 38.276 38.000 -0.035 0.000 1.403 384 I HN 0.148 nan 8.210 nan 0.000 0.530 385 c N 7.337 125.927 118.600 -0.017 0.000 2.417 385 c HA 0.409 4.976 4.570 -0.004 0.000 0.324 385 c C -0.392 173.563 174.090 -0.224 0.000 1.240 385 c CA -0.515 55.568 56.329 -0.409 0.000 1.632 385 c CB 0.810 42.774 42.510 -0.911 0.000 2.241 385 c HN 0.625 nan 8.230 nan 0.000 0.499 386 Y N 4.794 124.782 120.300 -0.520 0.000 2.341 386 Y HA 0.627 5.175 4.550 -0.004 0.000 0.340 386 Y C -0.958 174.520 175.900 -0.704 0.000 0.997 386 Y CA -0.869 56.869 58.100 -0.604 0.000 1.149 386 Y CB 0.206 38.396 38.460 -0.451 0.000 1.171 386 Y HN 0.629 nan 8.280 nan 0.000 0.494 387 F N 3.946 123.177 119.950 -1.198 0.000 2.480 387 F HA 0.415 4.940 4.527 -0.004 0.000 0.329 387 F C -0.117 174.940 175.800 -1.238 0.000 1.091 387 F CA -0.920 56.307 58.000 -1.289 0.000 0.972 387 F CB 1.633 39.441 39.000 -1.986 0.000 1.150 387 F HN 0.298 nan 8.300 nan 0.000 0.467 388 Q N 2.556 122.019 119.800 -0.562 0.000 2.257 388 Q HA 0.332 4.670 4.340 -0.004 0.000 0.255 388 Q C 0.980 176.945 176.000 -0.058 0.000 0.920 388 Q CA -0.221 55.387 55.803 -0.325 0.000 0.927 388 Q CB 1.404 30.011 28.738 -0.218 0.000 1.229 388 Q HN 0.707 nan 8.270 nan 0.000 0.433 389 I N -0.522 120.108 120.570 0.101 0.000 2.530 389 I HA -0.138 4.030 4.170 -0.004 0.000 0.257 389 I C 0.427 176.757 176.117 0.355 0.000 1.179 389 I CA 1.433 62.942 61.300 0.349 0.000 1.440 389 I CB -0.049 38.180 38.000 0.382 0.000 1.087 389 I HN 0.435 nan 8.210 nan 0.000 0.440 390 D N 0.839 121.346 120.400 0.178 0.000 2.670 390 D HA 0.255 4.892 4.640 -0.004 0.000 0.255 390 D C -0.233 176.094 176.300 0.046 0.000 1.286 390 D CA -0.398 53.660 54.000 0.096 0.000 0.830 390 D CB 0.022 40.857 40.800 0.058 0.000 1.065 390 D HN 0.386 nan 8.370 nan 0.000 0.486 391 K N 0.333 120.785 120.400 0.087 0.000 2.507 391 K HA 0.270 4.588 4.320 -0.004 0.000 0.251 391 K C 0.434 177.086 176.600 0.086 0.000 0.943 391 K CA -0.846 55.456 56.287 0.024 0.000 0.794 391 K CB 2.183 34.659 32.500 -0.040 0.000 1.188 391 K HN -0.303 nan 8.250 nan 0.000 0.428 392 K N 0.547 120.954 120.400 0.012 0.000 2.228 392 K HA 0.030 4.347 4.320 -0.004 0.000 0.202 392 K C -0.062 176.556 176.600 0.029 0.000 1.051 392 K CA 0.977 57.295 56.287 0.051 0.000 0.960 392 K CB 0.123 32.611 32.500 -0.021 0.000 0.743 392 K HN 0.556 nan 8.250 nan 0.000 0.458 393 D N 1.456 121.809 120.400 -0.078 0.000 2.280 393 D HA 0.068 4.706 4.640 -0.004 0.000 0.243 393 D C 0.327 176.403 176.300 -0.373 0.000 1.129 393 D CA -0.224 53.665 54.000 -0.185 0.000 0.848 393 D CB 1.192 41.908 40.800 -0.139 0.000 1.107 393 D HN 0.151 nan 8.370 nan 0.000 0.471 394 c N 1.005 119.213 118.600 -0.653 0.000 2.325 394 c HA 0.778 5.346 4.570 -0.004 0.000 0.370 394 c C 0.340 174.028 174.090 -0.671 0.000 1.217 394 c CA -0.549 55.186 56.329 -0.990 0.000 2.254 394 c CB 0.989 42.266 42.510 -2.055 0.000 2.282 394 c HN 0.472 nan 8.230 nan 0.000 0.564 395 T N 1.929 116.138 114.554 -0.575 0.000 2.786 395 T HA 0.461 4.809 4.350 -0.004 0.000 0.283 395 T C -0.695 173.802 174.700 -0.338 0.000 0.992 395 T CA 0.140 62.054 62.100 -0.311 0.000 0.954 395 T CB 0.356 69.177 68.868 -0.078 0.000 0.934 395 T HN 0.487 nan 8.240 nan 0.000 0.440 396 F N 3.330 123.164 119.950 -0.193 0.000 2.495 396 F HA 0.247 4.772 4.527 -0.004 0.000 0.365 396 F C 1.642 177.283 175.800 -0.265 0.000 1.090 396 F CA -0.888 56.987 58.000 -0.208 0.000 1.235 396 F CB 0.456 39.332 39.000 -0.208 0.000 1.119 396 F HN 0.584 nan 8.300 nan 0.000 0.562 397 I N -0.437 120.040 120.570 -0.155 0.000 3.968 397 I HA 0.229 4.397 4.170 -0.004 0.000 0.328 397 I C 0.156 176.107 176.117 -0.276 0.000 1.290 397 I CA 0.131 61.144 61.300 -0.478 0.000 1.163 397 I CB -0.070 37.395 38.000 -0.891 0.000 1.024 397 I HN 0.493 nan 8.210 nan 0.000 0.413 398 T N 0.049 114.500 114.554 -0.172 0.000 2.883 398 T HA 0.716 5.064 4.350 -0.004 0.000 0.296 398 T C -0.727 173.608 174.700 -0.607 0.000 1.117 398 T CA -0.710 61.270 62.100 -0.200 0.000 1.006 398 T CB 2.684 71.517 68.868 -0.057 0.000 1.191 398 T HN 0.494 nan 8.240 nan 0.000 0.508 399 K N -0.434 119.428 120.400 -0.896 0.000 2.642 399 K HA 0.754 5.072 4.320 -0.004 0.000 0.290 399 K C -0.551 175.383 176.600 -1.111 0.000 1.006 399 K CA -0.858 54.553 56.287 -1.459 0.000 0.869 399 K CB 1.263 33.309 32.500 -0.756 0.000 1.499 399 K HN 1.621 nan 8.250 nan 0.000 0.403 400 G N -0.056 108.109 108.800 -1.058 0.000 2.359 400 G HA2 0.134 4.091 3.960 -0.004 0.000 0.314 400 G HA3 0.134 4.091 3.960 -0.004 0.000 0.314 400 G C -0.908 173.418 174.900 -0.956 0.000 1.364 400 G CA -0.348 44.303 45.100 -0.749 0.000 0.978 400 G HN 1.055 nan 8.290 nan 0.000 0.615 401 T N -0.406 113.729 114.554 -0.698 0.000 3.855 401 T HA 0.584 4.932 4.350 -0.004 0.000 0.306 401 T C 0.136 174.622 174.700 -0.356 0.000 1.575 401 T CA 0.490 61.972 62.100 -1.030 0.000 1.214 401 T CB -0.945 67.615 68.868 -0.515 0.000 1.262 401 T HN 1.579 nan 8.240 nan 0.000 0.883 402 W N -0.212 120.923 121.300 -0.275 0.000 2.926 402 W HA 0.599 5.257 4.660 -0.004 0.000 0.361 402 W C -1.595 174.935 176.519 0.018 0.000 1.195 402 W CA -0.947 56.401 57.345 0.004 0.000 1.177 402 W CB 0.497 29.938 29.460 -0.032 0.000 1.453 402 W HN 0.243 nan 8.180 nan 0.000 0.571 403 E N 0.629 121.033 120.200 0.339 0.000 2.369 403 E HA 0.480 4.828 4.350 -0.004 0.000 0.270 403 E C -1.254 175.456 176.600 0.183 0.000 0.909 403 E CA -1.195 55.199 56.400 -0.010 0.000 0.775 403 E CB 3.335 33.053 29.700 0.030 0.000 1.270 403 E HN 0.163 nan 8.360 nan 0.000 0.445 404 V N 3.432 123.316 119.914 -0.050 0.000 2.432 404 V HA 0.025 4.143 4.120 -0.004 0.000 0.271 404 V C 1.173 177.345 176.094 0.130 0.000 1.046 404 V CA -0.112 62.252 62.300 0.106 0.000 0.945 404 V CB 0.650 32.432 31.823 -0.068 0.000 0.992 404 V HN 0.675 nan 8.190 nan 0.000 0.471 405 I N 3.281 123.958 120.570 0.177 0.000 2.333 405 I HA 0.218 4.386 4.170 -0.004 0.000 0.246 405 I C 1.136 177.357 176.117 0.174 0.000 1.106 405 I CA 1.227 62.620 61.300 0.156 0.000 1.411 405 I CB -0.868 37.166 38.000 0.056 0.000 1.082 405 I HN 0.752 nan 8.210 nan 0.000 0.420 406 G N 0.479 109.386 108.800 0.179 0.000 2.579 406 G HA2 0.530 4.488 3.960 -0.004 0.000 0.292 406 G HA3 0.530 4.488 3.960 -0.004 0.000 0.292 406 G C -1.329 173.663 174.900 0.152 0.000 1.484 406 G CA -0.588 44.614 45.100 0.170 0.000 0.813 406 G HN -0.040 nan 8.290 nan 0.000 0.515 407 I N 1.422 122.018 120.570 0.044 0.000 2.342 407 I HA 0.279 4.447 4.170 -0.004 0.000 0.291 407 I C 0.661 176.735 176.117 -0.072 0.000 1.010 407 I CA -0.614 60.617 61.300 -0.116 0.000 1.308 407 I CB 1.835 39.496 38.000 -0.566 0.000 1.400 407 I HN 0.498 nan 8.210 nan 0.000 0.488 408 E N 4.838 125.054 120.200 0.026 0.000 2.340 408 E HA 0.346 4.694 4.350 -0.004 0.000 0.198 408 E C 0.126 176.678 176.600 -0.079 0.000 0.961 408 E CA 0.192 56.645 56.400 0.089 0.000 0.905 408 E CB 0.867 30.712 29.700 0.242 0.000 0.884 408 E HN 0.677 nan 8.360 nan 0.000 0.491 409 A N 0.495 123.186 122.820 -0.214 0.000 2.597 409 A HA 0.603 4.921 4.320 -0.004 0.000 0.292 409 A C -2.050 175.465 177.584 -0.114 0.000 1.057 409 A CA -0.656 51.184 52.037 -0.329 0.000 0.674 409 A CB 1.155 19.476 19.000 -1.132 0.000 1.278 409 A HN 0.036 nan 8.150 nan 0.000 0.416 410 L N 1.191 122.386 121.223 -0.047 0.000 2.470 410 L HA 0.811 5.149 4.340 -0.004 0.000 0.268 410 L C 0.071 176.969 176.870 0.046 0.000 0.964 410 L CA 0.569 55.411 54.840 0.003 0.000 0.839 410 L CB 2.162 44.250 42.059 0.049 0.000 1.276 410 L HN 1.304 nan 8.230 nan 0.000 0.403 411 T N -0.414 114.182 114.554 0.070 0.000 2.883 411 T HA 0.423 4.771 4.350 -0.004 0.000 0.284 411 T C 1.028 175.765 174.700 0.062 0.000 1.041 411 T CA 0.059 62.212 62.100 0.088 0.000 1.007 411 T CB 1.245 70.201 68.868 0.146 0.000 1.220 411 T HN 0.663 nan 8.240 nan 0.000 0.552 412 S N -0.357 115.380 115.700 0.061 0.000 2.442 412 S HA -0.087 4.381 4.470 -0.004 0.000 0.236 412 S C 0.845 175.425 174.600 -0.033 0.000 1.007 412 S CA 1.097 59.319 58.200 0.036 0.000 0.965 412 S CB -0.488 62.737 63.200 0.042 0.000 0.773 412 S HN 0.730 nan 8.310 nan 0.000 0.504 413 D N -0.861 119.500 120.400 -0.064 0.000 2.455 413 D HA 0.268 4.906 4.640 -0.004 0.000 0.228 413 D C -0.495 175.473 176.300 -0.553 0.000 1.070 413 D CA 0.490 54.316 54.000 -0.290 0.000 0.881 413 D CB 0.361 40.989 40.800 -0.287 0.000 1.087 413 D HN 0.434 nan 8.370 nan 0.000 0.498 414 Y N -0.054 120.179 120.300 -0.112 0.000 2.553 414 Y HA 0.480 5.028 4.550 -0.004 0.000 0.347 414 Y C -0.642 175.067 175.900 -0.319 0.000 1.019 414 Y CA -1.042 56.901 58.100 -0.262 0.000 1.032 414 Y CB 2.577 40.774 38.460 -0.438 0.000 1.284 414 Y HN -0.281 nan 8.280 nan 0.000 0.466 415 L N 2.718 123.809 121.223 -0.221 0.000 2.341 415 L HA 0.626 4.964 4.340 -0.004 0.000 0.278 415 L C -1.899 174.828 176.870 -0.239 0.000 1.005 415 L CA -0.626 54.072 54.840 -0.236 0.000 0.818 415 L CB 0.953 42.786 42.059 -0.377 0.000 1.259 415 L HN 0.600 nan 8.230 nan 0.000 0.418 416 Y N 4.811 125.037 120.300 -0.123 0.000 2.341 416 Y HA 0.555 5.103 4.550 -0.003 0.000 0.337 416 Y C -0.473 175.438 175.900 0.018 0.000 1.014 416 Y CA -0.484 57.553 58.100 -0.105 0.000 1.111 416 Y CB 1.319 39.645 38.460 -0.224 0.000 1.194 416 Y HN 0.530 nan 8.280 nan 0.000 0.462 417 Y N 0.166 120.533 120.300 0.112 0.000 2.588 417 Y HA 0.825 5.373 4.550 -0.004 0.000 0.343 417 Y C -1.725 174.268 175.900 0.155 0.000 1.065 417 Y CA -2.019 56.138 58.100 0.095 0.000 1.038 417 Y CB 1.173 39.662 38.460 0.049 0.000 1.297 417 Y HN 0.451 nan 8.280 nan 0.000 0.467 418 I N 3.065 123.817 120.570 0.302 0.000 2.412 418 I HA 0.649 4.817 4.170 -0.004 0.000 0.296 418 I C -0.353 175.955 176.117 0.318 0.000 0.987 418 I CA -0.435 60.986 61.300 0.201 0.000 1.180 418 I CB 1.971 40.036 38.000 0.108 0.000 1.340 418 I HN 0.891 nan 8.210 nan 0.000 0.455 419 S N 3.076 118.931 115.700 0.258 0.000 2.638 419 S HA 0.406 4.874 4.470 -0.004 0.000 0.274 419 S C -0.601 174.055 174.600 0.092 0.000 1.157 419 S CA -0.897 57.438 58.200 0.224 0.000 0.826 419 S CB 1.662 65.016 63.200 0.256 0.000 1.139 419 S HN 0.635 nan 8.310 nan 0.000 0.474 420 N N -0.328 118.419 118.700 0.078 0.000 2.380 420 N HA 0.146 4.884 4.740 -0.004 0.000 0.255 420 N C 0.551 176.033 175.510 -0.047 0.000 1.158 420 N CA -0.262 52.792 53.050 0.006 0.000 0.878 420 N CB 0.252 38.732 38.487 -0.010 0.000 1.138 420 N HN 0.825 nan 8.380 nan 0.000 0.509 421 E N -0.074 119.948 120.200 -0.297 0.000 2.072 421 E HA -0.203 4.145 4.350 -0.004 0.000 0.191 421 E C -0.347 176.087 176.600 -0.277 0.000 0.985 421 E CA 0.273 56.227 56.400 -0.743 0.000 0.801 421 E CB -0.091 28.543 29.700 -1.775 0.000 0.750 421 E HN 0.397 nan 8.360 nan 0.000 0.452 422 Y N 2.095 122.292 120.300 -0.172 0.000 2.865 422 Y HA -0.173 4.375 4.550 -0.003 0.000 0.338 422 Y C 0.459 176.317 175.900 -0.070 0.000 1.269 422 Y CA 1.049 59.103 58.100 -0.077 0.000 1.585 422 Y CB 0.046 38.490 38.460 -0.026 0.000 1.224 422 Y HN 0.097 nan 8.280 nan 0.000 0.554 423 K N 3.277 123.375 120.400 -0.503 0.000 3.274 423 K HA -0.263 4.055 4.320 -0.004 0.000 0.305 423 K C 0.867 177.386 176.600 -0.135 0.000 1.225 423 K CA 0.841 56.898 56.287 -0.383 0.000 0.904 423 K CB -1.805 30.419 32.500 -0.461 0.000 1.227 423 K HN 1.284 nan 8.250 nan 0.000 0.453 424 G N 0.729 109.468 108.800 -0.102 0.000 2.249 424 G HA2 -0.328 3.630 3.960 -0.004 0.000 0.273 424 G HA3 -0.328 3.630 3.960 -0.004 0.000 0.273 424 G C 0.001 174.876 174.900 -0.041 0.000 1.036 424 G CA 0.786 45.873 45.100 -0.021 0.000 0.824 424 G HN 0.330 nan 8.290 nan 0.000 0.504 425 M N 0.932 120.441 119.600 -0.151 0.000 2.080 425 M HA 0.228 4.706 4.480 -0.004 0.000 0.350 425 M C -0.883 175.170 176.300 -0.412 0.000 1.143 425 M CA -2.026 53.026 55.300 -0.414 0.000 1.064 425 M CB 1.560 34.000 32.600 -0.267 0.000 1.429 425 M HN -0.053 nan 8.290 nan 0.000 0.418 426 P HA -0.095 nan 4.420 nan 0.000 0.225 426 P C 1.012 178.166 177.300 -0.245 0.000 1.148 426 P CA 1.191 64.108 63.100 -0.305 0.000 0.779 426 P CB 0.136 31.665 31.700 -0.285 0.000 0.780 427 G N -0.640 107.946 108.800 -0.357 0.000 3.042 427 G HA2 0.266 4.224 3.960 -0.004 0.000 0.212 427 G HA3 0.266 4.224 3.960 -0.004 0.000 0.212 427 G C 0.718 175.613 174.900 -0.008 0.000 1.166 427 G CA 0.132 45.156 45.100 -0.126 0.000 0.767 427 G HN 0.427 nan 8.290 nan 0.000 0.546 428 G N -0.235 108.500 108.800 -0.109 0.000 2.461 428 G HA2 0.644 4.602 3.960 -0.004 0.000 0.329 428 G HA3 0.644 4.602 3.960 -0.004 0.000 0.329 428 G C -0.827 173.921 174.900 -0.253 0.000 1.170 428 G CA -0.761 44.292 45.100 -0.079 0.000 0.935 428 G HN 0.080 nan 8.290 nan 0.000 0.492 429 R N 0.963 121.265 120.500 -0.330 0.000 2.533 429 R HA 0.421 4.759 4.340 -0.004 0.000 0.288 429 R C -1.297 174.949 176.300 -0.091 0.000 1.039 429 R CA -0.801 55.099 56.100 -0.333 0.000 0.909 429 R CB 2.086 31.949 30.300 -0.730 0.000 1.195 429 R HN 0.584 nan 8.270 nan 0.000 0.438 430 N N 1.533 120.212 118.700 -0.035 0.000 2.284 430 N HA 0.349 5.087 4.740 -0.004 0.000 0.289 430 N C -1.269 174.105 175.510 -0.227 0.000 1.179 430 N CA -0.820 52.131 53.050 -0.165 0.000 0.774 430 N CB 2.734 40.995 38.487 -0.377 0.000 1.548 430 N HN 0.262 nan 8.380 nan 0.000 0.473 431 L N 2.154 123.105 121.223 -0.453 0.000 2.292 431 L HA 0.464 4.802 4.340 -0.004 0.000 0.284 431 L C -1.388 175.110 176.870 -0.619 0.000 1.065 431 L CA 0.045 54.657 54.840 -0.380 0.000 0.806 431 L CB -0.091 41.755 42.059 -0.355 0.000 1.175 431 L HN 0.410 nan 8.230 nan 0.000 0.431 432 Y N 3.470 123.438 120.300 -0.554 0.000 2.570 432 Y HA 0.591 5.139 4.550 -0.003 0.000 0.345 432 Y C -0.390 175.185 175.900 -0.542 0.000 1.014 432 Y CA -0.842 56.868 58.100 -0.650 0.000 1.063 432 Y CB 1.712 39.544 38.460 -1.046 0.000 1.272 432 Y HN 0.508 nan 8.280 nan 0.000 0.477 433 K N 2.661 122.915 120.400 -0.244 0.000 2.463 433 K HA 0.649 4.967 4.320 -0.004 0.000 0.255 433 K C -1.950 174.589 176.600 -0.103 0.000 0.942 433 K CA -0.508 55.563 56.287 -0.360 0.000 0.814 433 K CB 1.456 33.645 32.500 -0.517 0.000 1.122 433 K HN 0.778 nan 8.250 nan 0.000 0.425 434 I N 3.018 123.586 120.570 -0.004 0.000 2.474 434 I HA 0.243 4.411 4.170 -0.004 0.000 0.294 434 I C -0.792 175.423 176.117 0.164 0.000 1.005 434 I CA -0.719 60.663 61.300 0.137 0.000 1.113 434 I CB 1.838 39.948 38.000 0.183 0.000 1.289 434 I HN 0.734 nan 8.210 nan 0.000 0.436 435 Q N 6.117 126.011 119.800 0.156 0.000 2.296 435 Q HA 0.225 4.563 4.340 -0.004 0.000 0.263 435 Q C 0.472 176.420 176.000 -0.087 0.000 1.026 435 Q CA -0.227 55.523 55.803 -0.089 0.000 0.912 435 Q CB 1.129 29.835 28.738 -0.054 0.000 1.198 435 Q HN 0.808 nan 8.270 nan 0.000 0.407 436 L N 2.218 123.316 121.223 -0.208 0.000 2.191 436 L HA -0.181 4.157 4.340 -0.004 0.000 0.212 436 L C 2.051 178.794 176.870 -0.212 0.000 1.103 436 L CA 1.364 56.147 54.840 -0.095 0.000 0.769 436 L CB -0.380 41.597 42.059 -0.136 0.000 0.908 436 L HN 0.652 nan 8.230 nan 0.000 0.438 437 S N -2.717 112.830 115.700 -0.254 0.000 2.558 437 S HA -0.008 4.460 4.470 -0.004 0.000 0.217 437 S C 0.455 174.888 174.600 -0.279 0.000 0.975 437 S CA -0.096 57.951 58.200 -0.255 0.000 0.912 437 S CB 0.132 63.217 63.200 -0.192 0.000 0.776 437 S HN 0.353 nan 8.310 nan 0.000 0.526 438 D N -0.079 120.167 120.400 -0.257 0.000 2.445 438 D HA 0.191 4.828 4.640 -0.004 0.000 0.236 438 D C -0.384 175.891 176.300 -0.043 0.000 1.315 438 D CA -0.531 53.360 54.000 -0.183 0.000 0.924 438 D CB -0.079 40.666 40.800 -0.092 0.000 1.447 438 D HN -0.043 nan 8.370 nan 0.000 0.532 439 Y N 0.730 121.014 120.300 -0.026 0.000 2.465 439 Y HA -0.142 4.406 4.550 -0.004 0.000 0.289 439 Y C 2.569 178.479 175.900 0.016 0.000 1.150 439 Y CA 1.636 59.733 58.100 -0.005 0.000 1.293 439 Y CB -0.979 37.478 38.460 -0.004 0.000 0.977 439 Y HN 0.420 nan 8.280 nan 0.000 0.556 440 T N -3.040 111.600 114.554 0.144 0.000 3.113 440 T HA 0.009 4.357 4.350 -0.004 0.000 0.256 440 T C 0.625 175.378 174.700 0.090 0.000 1.131 440 T CA 0.097 62.257 62.100 0.100 0.000 1.074 440 T CB -0.063 68.840 68.868 0.058 0.000 0.944 440 T HN -0.154 nan 8.240 nan 0.000 0.516 441 K N 2.350 122.807 120.400 0.096 0.000 2.257 441 K HA 0.526 4.844 4.320 -0.004 0.000 0.270 441 K C -1.189 175.482 176.600 0.119 0.000 1.098 441 K CA -0.374 55.968 56.287 0.092 0.000 0.943 441 K CB 1.231 33.780 32.500 0.082 0.000 1.316 441 K HN 0.150 nan 8.250 nan 0.000 0.447 442 V N 2.666 122.645 119.914 0.107 0.000 2.483 442 V HA 0.300 4.418 4.120 -0.004 0.000 0.297 442 V C -0.218 175.928 176.094 0.087 0.000 1.027 442 V CA -0.674 61.698 62.300 0.120 0.000 0.855 442 V CB 2.063 33.979 31.823 0.155 0.000 0.995 442 V HN 0.569 nan 8.190 nan 0.000 0.424 443 T N 3.595 118.169 114.554 0.034 0.000 2.797 443 T HA 0.247 4.595 4.350 -0.004 0.000 0.279 443 T C -0.326 174.307 174.700 -0.111 0.000 0.991 443 T CA -0.250 61.828 62.100 -0.038 0.000 0.979 443 T CB 1.244 70.053 68.868 -0.098 0.000 0.943 443 T HN 0.760 nan 8.240 nan 0.000 0.444 444 C N 5.593 124.771 119.300 -0.204 0.000 2.373 444 C HA 0.407 4.865 4.460 -0.004 0.000 0.354 444 C C 1.697 176.367 174.990 -0.533 0.000 1.249 444 C CA -0.602 58.030 59.018 -0.643 0.000 1.784 444 C CB -1.922 25.368 27.740 -0.749 0.000 2.408 444 C HN 0.996 nan 8.230 nan 0.000 0.542 445 L N 4.652 125.533 121.223 -0.570 0.000 2.418 445 L HA 0.054 4.392 4.340 -0.004 0.000 0.218 445 L C 2.184 178.745 176.870 -0.516 0.000 1.125 445 L CA 1.119 55.704 54.840 -0.425 0.000 0.835 445 L CB -0.216 41.644 42.059 -0.332 0.000 0.953 445 L HN 0.908 nan 8.230 nan 0.000 0.454 446 S N -3.402 111.872 115.700 -0.710 0.000 2.589 446 S HA -0.009 4.459 4.470 -0.004 0.000 0.235 446 S C 1.868 176.055 174.600 -0.688 0.000 1.051 446 S CA -0.101 57.575 58.200 -0.872 0.000 0.978 446 S CB -0.314 61.973 63.200 -1.521 0.000 0.929 446 S HN 0.286 nan 8.310 nan 0.000 0.523 447 C N 2.395 121.261 119.300 -0.722 0.000 2.349 447 C HA -0.091 4.367 4.460 -0.004 0.000 0.274 447 C C 2.463 177.157 174.990 -0.493 0.000 1.178 447 C CA 1.676 60.182 59.018 -0.853 0.000 1.769 447 C CB -1.183 25.848 27.740 -1.182 0.000 2.047 447 C HN 0.610 nan 8.230 nan 0.000 0.448 448 E N 0.162 120.170 120.200 -0.319 0.000 2.479 448 E HA 0.149 4.497 4.350 -0.004 0.000 0.193 448 E C 1.891 178.440 176.600 -0.085 0.000 1.049 448 E CA -0.078 56.242 56.400 -0.134 0.000 0.870 448 E CB -0.287 29.360 29.700 -0.089 0.000 0.944 448 E HN 0.568 nan 8.360 nan 0.000 0.492 449 L N 0.317 121.477 121.223 -0.106 0.000 2.013 449 L HA -0.149 4.188 4.340 -0.004 0.000 0.212 449 L C 0.931 177.807 176.870 0.011 0.000 1.073 449 L CA 1.043 55.859 54.840 -0.039 0.000 0.753 449 L CB -0.052 41.993 42.059 -0.024 0.000 0.890 449 L HN 0.182 nan 8.230 nan 0.000 0.432 450 N N -1.617 117.104 118.700 0.036 0.000 3.111 450 N HA 0.064 4.802 4.740 -0.004 0.000 0.200 450 N C -2.079 173.454 175.510 0.038 0.000 1.464 450 N CA -0.824 52.243 53.050 0.028 0.000 0.758 450 N CB 0.705 39.204 38.487 0.020 0.000 1.548 450 N HN -0.173 nan 8.380 nan 0.000 0.595 451 P HA -0.159 nan 4.420 nan 0.000 0.218 451 P C 0.588 177.933 177.300 0.076 0.000 1.146 451 P CA 1.347 64.499 63.100 0.087 0.000 0.813 451 P CB 0.660 32.431 31.700 0.118 0.000 0.778 452 E N -0.304 119.921 120.200 0.042 0.000 2.086 452 E HA -0.071 4.277 4.350 -0.004 0.000 0.190 452 E C 2.405 179.007 176.600 0.003 0.000 0.975 452 E CA 0.414 56.831 56.400 0.027 0.000 0.813 452 E CB -0.209 29.500 29.700 0.015 0.000 0.768 452 E HN 0.219 nan 8.360 nan 0.000 0.457 453 R N 0.237 120.726 120.500 -0.019 0.000 2.173 453 R HA 0.065 4.403 4.340 -0.004 0.000 0.208 453 R C -0.120 176.125 176.300 -0.091 0.000 1.035 453 R CA 0.498 56.563 56.100 -0.059 0.000 1.004 453 R CB 0.397 30.654 30.300 -0.072 0.000 0.917 453 R HN 0.069 nan 8.270 nan 0.000 0.462 454 c N 0.983 119.536 118.600 -0.079 0.000 2.344 454 c HA 0.407 4.975 4.570 -0.004 0.000 0.326 454 c C 0.056 174.080 174.090 -0.111 0.000 1.201 454 c CA -0.708 55.503 56.329 -0.196 0.000 1.410 454 c CB 1.389 43.728 42.510 -0.286 0.000 2.070 454 c HN 0.512 nan 8.230 nan 0.000 0.445 455 Q N 0.433 120.169 119.800 -0.107 0.000 2.113 455 Q HA 0.176 4.514 4.340 -0.004 0.000 0.225 455 Q C -0.915 175.106 176.000 0.036 0.000 0.786 455 Q CA 0.092 55.915 55.803 0.032 0.000 0.989 455 Q CB 1.378 30.174 28.738 0.098 0.000 1.174 455 Q HN 0.785 nan 8.270 nan 0.000 0.470 456 Y N 0.554 120.713 120.300 -0.234 0.000 2.445 456 Y HA 0.357 4.904 4.550 -0.004 0.000 0.332 456 Y C -1.497 174.239 175.900 -0.274 0.000 1.037 456 Y CA -1.100 56.902 58.100 -0.162 0.000 1.296 456 Y CB 0.638 39.026 38.460 -0.120 0.000 1.099 456 Y HN -0.073 nan 8.280 nan 0.000 0.496 457 Y N 1.792 122.045 120.300 -0.079 0.000 2.457 457 Y HA 0.661 5.209 4.550 -0.004 0.000 0.333 457 Y C 0.342 176.214 175.900 -0.047 0.000 1.119 457 Y CA -0.450 57.611 58.100 -0.066 0.000 1.143 457 Y CB 2.246 40.626 38.460 -0.134 0.000 1.230 457 Y HN 0.414 nan 8.280 nan 0.000 0.469 458 S N 0.815 116.627 115.700 0.187 0.000 2.595 458 S HA 0.820 5.288 4.470 -0.004 0.000 0.281 458 S C -1.872 172.806 174.600 0.130 0.000 1.117 458 S CA -0.592 57.693 58.200 0.142 0.000 0.873 458 S CB 1.512 64.800 63.200 0.146 0.000 1.108 458 S HN 0.539 nan 8.310 nan 0.000 0.477 459 V N 1.826 121.812 119.914 0.120 0.000 3.078 459 V HA 0.901 5.018 4.120 -0.004 0.000 0.311 459 V C -1.119 175.051 176.094 0.126 0.000 1.138 459 V CA -0.297 62.044 62.300 0.069 0.000 1.007 459 V CB 2.382 34.173 31.823 -0.054 0.000 1.045 459 V HN 0.873 nan 8.190 nan 0.000 0.432 460 S N 4.143 119.900 115.700 0.094 0.000 2.775 460 S HA 0.644 5.112 4.470 -0.004 0.000 0.277 460 S C -1.209 173.518 174.600 0.211 0.000 1.156 460 S CA -0.396 57.958 58.200 0.257 0.000 1.081 460 S CB 0.331 63.742 63.200 0.350 0.000 1.054 460 S HN 0.492 nan 8.310 nan 0.000 0.482 461 F N 2.984 122.991 119.950 0.094 0.000 2.371 461 F HA 0.456 4.980 4.527 -0.004 0.000 0.329 461 F C 1.474 176.881 175.800 -0.655 0.000 1.107 461 F CA -0.233 57.661 58.000 -0.177 0.000 1.137 461 F CB 1.212 40.081 39.000 -0.217 0.000 1.214 461 F HN 0.614 nan 8.300 nan 0.000 0.536 462 S N 1.657 116.790 115.700 -0.945 0.000 2.617 462 S HA 0.169 4.637 4.470 -0.004 0.000 0.259 462 S C 1.220 175.578 174.600 -0.403 0.000 1.301 462 S CA -0.810 56.545 58.200 -1.407 0.000 0.984 462 S CB 0.739 63.229 63.200 -1.183 0.000 0.954 462 S HN 0.537 nan 8.310 nan 0.000 0.572 463 K N 0.813 121.114 120.400 -0.166 0.000 2.089 463 K HA -0.112 4.206 4.320 -0.004 0.000 0.210 463 K C 1.035 177.628 176.600 -0.011 0.000 1.048 463 K CA 1.611 57.893 56.287 -0.009 0.000 0.926 463 K CB -0.399 32.130 32.500 0.049 0.000 0.714 463 K HN 0.671 nan 8.250 nan 0.000 0.448 464 E N -1.010 119.172 120.200 -0.030 0.000 2.558 464 E HA 0.218 4.566 4.350 -0.004 0.000 0.205 464 E C 0.149 176.723 176.600 -0.044 0.000 1.006 464 E CA 0.179 56.572 56.400 -0.012 0.000 0.961 464 E CB 0.674 30.385 29.700 0.018 0.000 1.044 464 E HN 0.232 nan 8.360 nan 0.000 0.465 465 A N 1.262 124.038 122.820 -0.074 0.000 2.887 465 A HA -0.322 3.996 4.320 -0.004 0.000 0.257 465 A C 1.525 179.090 177.584 -0.033 0.000 1.372 465 A CA 1.667 53.681 52.037 -0.038 0.000 0.879 465 A CB -2.125 16.738 19.000 -0.229 0.000 1.082 465 A HN 0.281 nan 8.150 nan 0.000 0.703 466 K N -1.797 118.527 120.400 -0.127 0.000 2.211 466 K HA 0.028 4.346 4.320 -0.004 0.000 0.203 466 K C 0.151 176.404 176.600 -0.578 0.000 1.050 466 K CA 1.649 57.748 56.287 -0.313 0.000 0.945 466 K CB -0.073 32.240 32.500 -0.313 0.000 0.732 466 K HN 0.695 nan 8.250 nan 0.000 0.451 467 Y N -1.237 119.014 120.300 -0.082 0.000 2.609 467 Y HA 0.327 4.875 4.550 -0.003 0.000 0.342 467 Y C -1.066 174.782 175.900 -0.086 0.000 1.058 467 Y CA -1.376 56.684 58.100 -0.066 0.000 1.055 467 Y CB 1.684 40.117 38.460 -0.044 0.000 1.292 467 Y HN -0.040 nan 8.280 nan 0.000 0.476 468 Y N -0.954 119.319 120.300 -0.046 0.000 2.479 468 Y HA 0.512 5.060 4.550 -0.003 0.000 0.338 468 Y C -1.196 174.705 175.900 0.001 0.000 1.055 468 Y CA -1.492 56.422 58.100 -0.311 0.000 1.023 468 Y CB 1.419 39.208 38.460 -1.119 0.000 1.287 468 Y HN 0.601 nan 8.280 nan 0.000 0.447 469 Q N 4.249 124.166 119.800 0.195 0.000 2.278 469 Q HA 0.547 4.885 4.340 -0.004 0.000 0.257 469 Q C -1.711 174.369 176.000 0.133 0.000 0.928 469 Q CA -0.641 55.244 55.803 0.138 0.000 0.932 469 Q CB 1.219 30.023 28.738 0.110 0.000 1.221 469 Q HN 0.978 nan 8.270 nan 0.000 0.434 470 L N 4.433 125.750 121.223 0.156 0.000 2.307 470 L HA 0.515 4.853 4.340 -0.004 0.000 0.282 470 L C -0.198 176.738 176.870 0.110 0.000 1.051 470 L CA -0.569 54.360 54.840 0.149 0.000 0.804 470 L CB 1.302 43.442 42.059 0.134 0.000 1.197 470 L HN 0.616 nan 8.230 nan 0.000 0.431 471 R N 2.507 123.058 120.500 0.084 0.000 2.358 471 R HA 0.284 4.622 4.340 -0.004 0.000 0.309 471 R C -0.931 175.246 176.300 -0.204 0.000 1.026 471 R CA -0.504 55.489 56.100 -0.178 0.000 0.909 471 R CB 1.376 31.630 30.300 -0.076 0.000 1.153 471 R HN 0.573 nan 8.270 nan 0.000 0.515 472 c N 2.797 121.162 118.600 -0.392 0.000 2.415 472 c HA 0.329 4.897 4.570 -0.004 0.000 0.369 472 c C 1.510 175.358 174.090 -0.402 0.000 1.279 472 c CA -0.243 55.735 56.329 -0.585 0.000 1.886 472 c CB 0.005 42.137 42.510 -0.629 0.000 2.468 472 c HN 0.958 nan 8.230 nan 0.000 0.553 473 S N 3.782 119.329 115.700 -0.254 0.000 2.650 473 S HA 0.606 5.074 4.470 -0.004 0.000 0.240 473 S C 0.355 174.903 174.600 -0.086 0.000 1.007 473 S CA 0.234 58.348 58.200 -0.143 0.000 0.984 473 S CB 0.003 63.152 63.200 -0.085 0.000 0.910 473 S HN 1.919 nan 8.310 nan 0.000 0.509 474 G N 1.780 110.515 108.800 -0.109 0.000 2.328 474 G HA2 0.386 4.344 3.960 -0.004 0.000 0.299 474 G HA3 0.386 4.344 3.960 -0.004 0.000 0.299 474 G C -3.024 171.846 174.900 -0.049 0.000 1.435 474 G CA -0.518 44.563 45.100 -0.032 0.000 0.865 474 G HN -0.128 nan 8.290 nan 0.000 0.601 475 P HA 0.120 nan 4.420 nan 0.000 0.233 475 P C 1.257 178.577 177.300 0.034 0.000 1.167 475 P CA 1.300 64.426 63.100 0.043 0.000 0.770 475 P CB 0.415 32.140 31.700 0.043 0.000 0.837 476 G N 0.356 109.106 108.800 -0.083 0.000 2.510 476 G HA2 0.405 4.363 3.960 -0.004 0.000 0.280 476 G HA3 0.405 4.363 3.960 -0.004 0.000 0.280 476 G C -0.352 174.289 174.900 -0.432 0.000 1.386 476 G CA -0.767 44.205 45.100 -0.213 0.000 1.047 476 G HN 0.047 nan 8.290 nan 0.000 0.527 477 L N 1.254 122.149 121.223 -0.546 0.000 2.456 477 L HA 0.152 4.490 4.340 -0.004 0.000 0.272 477 L C -1.813 174.881 176.870 -0.295 0.000 1.189 477 L CA -1.222 53.256 54.840 -0.604 0.000 0.846 477 L CB 0.817 42.619 42.059 -0.429 0.000 1.111 477 L HN 0.240 nan 8.230 nan 0.000 0.475 478 P HA -0.014 nan 4.420 nan 0.000 0.263 478 P C -0.980 176.256 177.300 -0.107 0.000 1.175 478 P CA 0.094 63.114 63.100 -0.134 0.000 0.761 478 P CB 0.508 32.228 31.700 0.033 0.000 0.794 479 L N 5.369 126.444 121.223 -0.246 0.000 2.409 479 L HA 0.481 4.819 4.340 -0.004 0.000 0.272 479 L C -1.733 174.992 176.870 -0.241 0.000 0.980 479 L CA -0.675 54.088 54.840 -0.128 0.000 0.826 479 L CB 0.938 42.932 42.059 -0.109 0.000 1.268 479 L HN 0.214 nan 8.230 nan 0.000 0.407 480 Y N 2.764 123.022 120.300 -0.070 0.000 2.335 480 Y HA 0.747 5.295 4.550 -0.003 0.000 0.338 480 Y C 0.513 176.304 175.900 -0.182 0.000 0.977 480 Y CA -0.540 57.501 58.100 -0.099 0.000 1.114 480 Y CB 2.023 40.409 38.460 -0.123 0.000 1.182 480 Y HN 0.679 nan 8.280 nan 0.000 0.463 481 T N 0.790 115.330 114.554 -0.025 0.000 2.906 481 T HA 0.724 5.072 4.350 -0.004 0.000 0.295 481 T C -1.491 173.060 174.700 -0.249 0.000 1.075 481 T CA -0.887 61.112 62.100 -0.168 0.000 1.005 481 T CB 1.981 70.786 68.868 -0.106 0.000 1.136 481 T HN 0.393 nan 8.240 nan 0.000 0.498 482 L N 1.727 122.674 121.223 -0.460 0.000 2.334 482 L HA 0.638 4.976 4.340 -0.004 0.000 0.276 482 L C -0.778 175.689 176.870 -0.672 0.000 1.014 482 L CA -0.326 54.290 54.840 -0.372 0.000 0.815 482 L CB 1.274 43.188 42.059 -0.242 0.000 1.268 482 L HN 0.826 nan 8.230 nan 0.000 0.428 483 H N 1.456 120.296 119.070 -0.383 0.000 2.895 483 H HA 0.348 4.902 4.556 -0.003 0.000 0.373 483 H C -1.132 173.998 175.328 -0.330 0.000 1.174 483 H CA -0.834 54.898 56.048 -0.527 0.000 1.144 483 H CB 2.226 31.311 29.762 -1.127 0.000 1.793 483 H HN 0.503 nan 8.280 nan 0.000 0.551 484 S N 0.638 116.318 115.700 -0.033 0.000 2.457 484 S HA 0.137 4.605 4.470 -0.004 0.000 0.289 484 S C 0.804 175.414 174.600 0.017 0.000 1.163 484 S CA -0.523 57.700 58.200 0.040 0.000 1.078 484 S CB 0.864 64.106 63.200 0.070 0.000 0.987 484 S HN 0.599 nan 8.310 nan 0.000 0.482 485 S N 3.763 119.469 115.700 0.011 0.000 2.428 485 S HA -0.087 4.381 4.470 -0.004 0.000 0.230 485 S C 1.875 176.509 174.600 0.057 0.000 1.014 485 S CA 0.912 59.206 58.200 0.155 0.000 0.957 485 S CB -0.262 63.004 63.200 0.110 0.000 0.784 485 S HN 0.708 nan 8.310 nan 0.000 0.499 486 V N 3.631 123.527 119.914 -0.029 0.000 2.490 486 V HA -0.144 3.974 4.120 -0.004 0.000 0.250 486 V C 1.156 177.256 176.094 0.010 0.000 1.061 486 V CA 2.101 64.394 62.300 -0.010 0.000 1.064 486 V CB -0.472 31.330 31.823 -0.035 0.000 0.670 486 V HN 0.826 nan 8.190 nan 0.000 0.461 487 N N -3.224 115.484 118.700 0.014 0.000 2.116 487 N HA 0.052 4.790 4.740 -0.004 0.000 0.230 487 N C -0.310 175.213 175.510 0.022 0.000 1.326 487 N CA 0.294 53.352 53.050 0.014 0.000 0.867 487 N CB 0.587 39.081 38.487 0.013 0.000 1.174 487 N HN 0.269 nan 8.380 nan 0.000 0.506 488 D N 0.941 121.375 120.400 0.056 0.000 2.811 488 D HA -0.123 4.515 4.640 -0.004 0.000 0.231 488 D C -0.571 175.760 176.300 0.051 0.000 1.157 488 D CA 1.162 55.217 54.000 0.091 0.000 0.716 488 D CB -0.431 40.401 40.800 0.053 0.000 1.077 488 D HN 0.422 nan 8.370 nan 0.000 0.428 489 K N 0.244 120.666 120.400 0.037 0.000 2.143 489 K HA 0.497 4.814 4.320 -0.004 0.000 0.272 489 K C 0.906 177.524 176.600 0.029 0.000 1.001 489 K CA -0.464 55.841 56.287 0.029 0.000 0.915 489 K CB 1.290 33.796 32.500 0.010 0.000 1.047 489 K HN 0.096 nan 8.250 nan 0.000 0.458 490 G N 2.327 111.140 108.800 0.022 0.000 2.361 490 G HA2 0.191 4.149 3.960 -0.004 0.000 0.260 490 G HA3 0.191 4.149 3.960 -0.004 0.000 0.260 490 G C 0.913 175.700 174.900 -0.188 0.000 1.261 490 G CA -0.316 44.693 45.100 -0.152 0.000 0.897 490 G HN 0.520 nan 8.290 nan 0.000 0.499 491 L N 1.805 122.860 121.223 -0.280 0.000 2.168 491 L HA 0.314 4.652 4.340 -0.004 0.000 0.203 491 L C 1.561 178.329 176.870 -0.170 0.000 1.078 491 L CA 0.714 55.452 54.840 -0.170 0.000 0.780 491 L CB -0.168 41.804 42.059 -0.145 0.000 0.939 491 L HN 0.805 nan 8.230 nan 0.000 0.451 492 R N -2.209 118.142 120.500 -0.248 0.000 3.033 492 R HA 0.315 4.653 4.340 -0.004 0.000 0.284 492 R C -1.748 174.403 176.300 -0.249 0.000 0.997 492 R CA -0.907 55.074 56.100 -0.199 0.000 0.851 492 R CB 1.012 31.226 30.300 -0.145 0.000 1.297 492 R HN -0.284 nan 8.270 nan 0.000 0.518 493 V N 2.840 122.640 119.914 -0.191 0.000 2.461 493 V HA 0.203 4.321 4.120 -0.004 0.000 0.275 493 V C 1.233 177.178 176.094 -0.248 0.000 1.047 493 V CA -0.379 61.809 62.300 -0.186 0.000 0.955 493 V CB 1.206 32.960 31.823 -0.114 0.000 0.988 493 V HN 0.641 nan 8.190 nan 0.000 0.471 494 L N 2.522 123.535 121.223 -0.350 0.000 2.253 494 L HA 0.323 4.661 4.340 -0.004 0.000 0.205 494 L C 0.653 177.274 176.870 -0.414 0.000 1.078 494 L CA 0.611 55.063 54.840 -0.647 0.000 0.805 494 L CB 0.255 41.581 42.059 -1.221 0.000 0.963 494 L HN 0.696 nan 8.230 nan 0.000 0.459 495 E N -0.093 120.006 120.200 -0.168 0.000 2.343 495 E HA 0.083 4.431 4.350 -0.004 0.000 0.288 495 E C -1.119 175.533 176.600 0.085 0.000 0.907 495 E CA -0.318 56.081 56.400 -0.002 0.000 0.792 495 E CB 1.063 30.775 29.700 0.019 0.000 1.275 495 E HN 0.151 nan 8.360 nan 0.000 0.402 496 D N 3.137 123.561 120.400 0.041 0.000 2.433 496 D HA 0.130 4.767 4.640 -0.004 0.000 0.211 496 D C -0.253 176.059 176.300 0.019 0.000 1.114 496 D CA -0.177 53.838 54.000 0.024 0.000 0.837 496 D CB 0.001 40.795 40.800 -0.011 0.000 0.984 496 D HN 0.447 nan 8.370 nan 0.000 0.505 497 N N 0.385 119.111 118.700 0.043 0.000 2.754 497 N HA -0.202 4.535 4.740 -0.004 0.000 0.248 497 N C 0.949 176.464 175.510 0.009 0.000 1.093 497 N CA 0.882 53.952 53.050 0.033 0.000 0.699 497 N CB -1.376 37.123 38.487 0.020 0.000 1.016 497 N HN 0.475 nan 8.380 nan 0.000 0.552 498 S N -1.037 114.670 115.700 0.012 0.000 2.382 498 S HA -0.044 4.424 4.470 -0.004 0.000 0.228 498 S C 2.133 176.746 174.600 0.021 0.000 1.027 498 S CA 1.018 59.222 58.200 0.006 0.000 0.991 498 S CB -0.191 63.013 63.200 0.007 0.000 0.823 498 S HN 0.511 nan 8.310 nan 0.000 0.469 499 A N 2.367 125.209 122.820 0.036 0.000 1.873 499 A HA -0.046 4.272 4.320 -0.004 0.000 0.218 499 A C 2.289 179.913 177.584 0.067 0.000 1.193 499 A CA 1.871 53.939 52.037 0.052 0.000 0.629 499 A CB -1.101 17.934 19.000 0.059 0.000 0.826 499 A HN 0.562 nan 8.150 nan 0.000 0.447 500 L N 0.230 121.497 121.223 0.072 0.000 2.017 500 L HA -0.157 4.181 4.340 -0.004 0.000 0.208 500 L C 1.989 178.886 176.870 0.046 0.000 1.073 500 L CA 2.900 57.797 54.840 0.094 0.000 0.745 500 L CB -0.770 41.347 42.059 0.097 0.000 0.894 500 L HN 0.505 nan 8.230 nan 0.000 0.432 501 D N -0.503 119.898 120.400 0.002 0.000 2.158 501 D HA -0.301 4.337 4.640 -0.004 0.000 0.197 501 D C 2.251 178.550 176.300 -0.002 0.000 0.995 501 D CA 1.744 55.728 54.000 -0.027 0.000 0.846 501 D CB -0.115 40.660 40.800 -0.042 0.000 0.941 501 D HN 0.417 nan 8.370 nan 0.000 0.456 502 K N -0.588 119.825 120.400 0.022 0.000 2.026 502 K HA -0.166 4.152 4.320 -0.004 0.000 0.208 502 K C 2.207 178.838 176.600 0.052 0.000 1.048 502 K CA 1.264 57.571 56.287 0.033 0.000 0.929 502 K CB -0.109 32.416 32.500 0.041 0.000 0.713 502 K HN 0.215 nan 8.250 nan 0.000 0.439 503 M N 0.769 120.420 119.600 0.086 0.000 2.067 503 M HA -0.157 4.321 4.480 -0.004 0.000 0.260 503 M C 2.113 178.441 176.300 0.047 0.000 1.069 503 M CA 1.509 56.895 55.300 0.143 0.000 1.117 503 M CB -0.313 32.466 32.600 0.297 0.000 1.334 503 M HN 0.145 nan 8.290 nan 0.000 0.407 504 L N 0.099 121.289 121.223 -0.054 0.000 2.349 504 L HA -0.211 4.126 4.340 -0.004 0.000 0.220 504 L C 2.418 179.243 176.870 -0.074 0.000 1.130 504 L CA 0.745 55.490 54.840 -0.158 0.000 0.791 504 L CB -0.804 41.179 42.059 -0.127 0.000 0.918 504 L HN 0.437 nan 8.230 nan 0.000 0.444 505 Q N -0.317 119.469 119.800 -0.023 0.000 2.369 505 Q HA -0.144 4.194 4.340 -0.004 0.000 0.206 505 Q C 1.111 177.119 176.000 0.013 0.000 0.963 505 Q CA 0.880 56.681 55.803 -0.005 0.000 0.894 505 Q CB -0.238 28.504 28.738 0.007 0.000 0.965 505 Q HN 0.620 nan 8.270 nan 0.000 0.475 506 N N 0.264 118.978 118.700 0.024 0.000 2.279 506 N HA 0.136 4.874 4.740 -0.004 0.000 0.226 506 N C -1.098 174.447 175.510 0.058 0.000 1.126 506 N CA -0.241 52.841 53.050 0.052 0.000 0.846 506 N CB 0.892 39.427 38.487 0.080 0.000 1.050 506 N HN -0.122 nan 8.380 nan 0.000 0.502 507 V N 0.559 120.484 119.914 0.018 0.000 2.888 507 V HA 0.240 4.358 4.120 -0.004 0.000 0.309 507 V C -1.205 174.894 176.094 0.009 0.000 1.114 507 V CA -0.685 61.630 62.300 0.026 0.000 0.940 507 V CB 2.150 33.954 31.823 -0.032 0.000 1.021 507 V HN 0.071 nan 8.190 nan 0.000 0.426 508 Q N 6.108 125.928 119.800 0.034 0.000 2.837 508 Q HA 0.305 4.643 4.340 -0.004 0.000 0.235 508 Q C -0.263 175.713 176.000 -0.040 0.000 1.348 508 Q CA -0.258 55.537 55.803 -0.013 0.000 0.990 508 Q CB 0.419 29.171 28.738 0.023 0.000 1.570 508 Q HN 0.586 nan 8.270 nan 0.000 0.575 509 M N 3.148 122.709 119.600 -0.065 0.000 2.240 509 M HA 0.244 4.722 4.480 -0.004 0.000 0.333 509 M C -1.878 174.352 176.300 -0.117 0.000 1.110 509 M CA -2.132 53.118 55.300 -0.083 0.000 1.173 509 M CB -0.379 32.174 32.600 -0.078 0.000 1.458 509 M HN 0.271 nan 8.290 nan 0.000 0.458 510 P HA 0.267 nan 4.420 nan 0.000 0.278 510 P C -0.900 176.309 177.300 -0.151 0.000 1.266 510 P CA -0.403 62.601 63.100 -0.160 0.000 0.807 510 P CB 0.785 32.376 31.700 -0.182 0.000 1.094 511 S N -0.622 114.974 115.700 -0.173 0.000 2.664 511 S HA 0.631 5.099 4.470 -0.004 0.000 0.304 511 S C -0.541 173.959 174.600 -0.167 0.000 1.099 511 S CA -0.756 57.358 58.200 -0.144 0.000 1.003 511 S CB 1.815 64.931 63.200 -0.140 0.000 1.092 511 S HN 0.525 nan 8.310 nan 0.000 0.525 512 K N 0.475 120.805 120.400 -0.117 0.000 2.378 512 K HA 0.465 4.783 4.320 -0.004 0.000 0.252 512 K C -1.361 175.191 176.600 -0.081 0.000 0.931 512 K CA -0.599 55.625 56.287 -0.105 0.000 0.794 512 K CB 1.512 33.972 32.500 -0.067 0.000 1.181 512 K HN 0.750 nan 8.250 nan 0.000 0.425 513 K N 4.752 125.103 120.400 -0.082 0.000 2.292 513 K HA 0.386 4.704 4.320 -0.004 0.000 0.257 513 K C -1.759 174.829 176.600 -0.021 0.000 0.940 513 K CA -0.881 55.376 56.287 -0.051 0.000 0.811 513 K CB 1.190 33.649 32.500 -0.068 0.000 1.120 513 K HN 0.472 nan 8.250 nan 0.000 0.428 514 L N 3.628 124.849 121.223 -0.003 0.000 2.356 514 L HA 0.579 4.917 4.340 -0.004 0.000 0.277 514 L C -1.335 175.544 176.870 0.015 0.000 0.996 514 L CA 0.162 55.025 54.840 0.038 0.000 0.822 514 L CB 1.618 43.766 42.059 0.147 0.000 1.256 514 L HN 0.884 nan 8.230 nan 0.000 0.413 515 D N 2.604 122.857 120.400 -0.245 0.000 2.970 515 D HA 0.532 5.170 4.640 -0.004 0.000 0.344 515 D C -1.626 174.276 176.300 -0.663 0.000 1.365 515 D CA 0.064 53.810 54.000 -0.424 0.000 0.910 515 D CB 1.348 41.873 40.800 -0.459 0.000 1.445 515 D HN 0.261 nan 8.370 nan 0.000 0.532 516 F N -0.348 119.208 119.950 -0.657 0.000 2.664 516 F HA 0.753 5.277 4.527 -0.004 0.000 0.317 516 F C -0.983 174.846 175.800 0.050 0.000 1.108 516 F CA -1.121 56.618 58.000 -0.435 0.000 0.957 516 F CB 0.937 39.255 39.000 -1.137 0.000 1.365 516 F HN 0.311 nan 8.300 nan 0.000 0.475 517 I N -0.096 120.718 120.570 0.407 0.000 2.828 517 I HA 0.674 4.841 4.170 -0.004 0.000 0.302 517 I C -1.446 174.904 176.117 0.389 0.000 1.101 517 I CA -1.222 60.260 61.300 0.303 0.000 1.031 517 I CB 2.483 40.640 38.000 0.262 0.000 1.231 517 I HN 0.640 nan 8.210 nan 0.000 0.427 518 I N 5.313 126.050 120.570 0.278 0.000 2.304 518 I HA 0.403 4.571 4.170 -0.004 0.000 0.291 518 I C -0.717 175.537 176.117 0.227 0.000 1.018 518 I CA -0.407 61.041 61.300 0.247 0.000 1.260 518 I CB 1.280 39.387 38.000 0.179 0.000 1.390 518 I HN 0.364 nan 8.210 nan 0.000 0.475 519 L N 6.728 128.144 121.223 0.322 0.000 2.356 519 L HA 0.441 4.779 4.340 -0.004 0.000 0.277 519 L C -0.093 176.923 176.870 0.243 0.000 0.996 519 L CA -0.776 54.231 54.840 0.279 0.000 0.822 519 L CB 1.396 43.654 42.059 0.332 0.000 1.256 519 L HN 0.578 nan 8.230 nan 0.000 0.413 520 N N 2.938 121.717 118.700 0.132 0.000 2.727 520 N HA -0.218 4.520 4.740 -0.004 0.000 0.249 520 N C 0.220 175.773 175.510 0.072 0.000 1.048 520 N CA 1.249 54.353 53.050 0.089 0.000 0.714 520 N CB -0.804 37.734 38.487 0.086 0.000 0.959 520 N HN 0.819 nan 8.380 nan 0.000 0.544 521 E N -4.530 115.708 120.200 0.063 0.000 4.071 521 E HA -0.250 4.098 4.350 -0.004 0.000 0.355 521 E C 0.302 176.901 176.600 -0.002 0.000 0.653 521 E CA 1.792 58.210 56.400 0.030 0.000 1.298 521 E CB -1.638 28.072 29.700 0.015 0.000 1.712 521 E HN 0.665 nan 8.360 nan 0.000 0.416 522 T N 0.525 115.074 114.554 -0.008 0.000 2.855 522 T HA 0.483 4.831 4.350 -0.004 0.000 0.281 522 T C -0.253 174.289 174.700 -0.263 0.000 1.007 522 T CA -0.525 61.471 62.100 -0.173 0.000 1.009 522 T CB 1.697 70.401 68.868 -0.274 0.000 0.983 522 T HN 0.213 nan 8.240 nan 0.000 0.455 523 K N 2.904 123.090 120.400 -0.356 0.000 2.172 523 K HA 0.566 4.884 4.320 -0.004 0.000 0.276 523 K C -1.431 174.890 176.600 -0.465 0.000 1.013 523 K CA -0.674 55.438 56.287 -0.292 0.000 0.913 523 K CB 0.767 32.961 32.500 -0.510 0.000 1.055 523 K HN 0.457 nan 8.250 nan 0.000 0.461 524 F N 2.011 122.028 119.950 0.112 0.000 2.507 524 F HA 0.339 4.864 4.527 -0.004 0.000 0.328 524 F C -0.764 175.126 175.800 0.150 0.000 1.136 524 F CA -0.783 57.288 58.000 0.119 0.000 0.930 524 F CB 1.041 40.116 39.000 0.124 0.000 1.166 524 F HN 0.525 nan 8.300 nan 0.000 0.436 525 W N 3.633 125.065 121.300 0.219 0.000 2.237 525 W HA 0.464 5.122 4.660 -0.004 0.000 0.335 525 W C -0.516 176.169 176.519 0.276 0.000 1.230 525 W CA -0.358 57.127 57.345 0.233 0.000 1.253 525 W CB 0.431 29.969 29.460 0.130 0.000 1.129 525 W HN 0.446 nan 8.180 nan 0.000 0.590 526 Y N -0.639 119.985 120.300 0.540 0.000 2.638 526 Y HA 0.588 5.136 4.550 -0.004 0.000 0.335 526 Y C -1.031 175.106 175.900 0.395 0.000 1.155 526 Y CA -1.927 56.489 58.100 0.528 0.000 1.046 526 Y CB 0.961 39.904 38.460 0.805 0.000 1.303 526 Y HN 0.570 nan 8.280 nan 0.000 0.460 527 Q N 2.368 122.437 119.800 0.447 0.000 2.451 527 Q HA 0.802 5.140 4.340 -0.004 0.000 0.281 527 Q C -1.790 174.355 176.000 0.241 0.000 1.099 527 Q CA -1.211 54.731 55.803 0.231 0.000 0.806 527 Q CB 3.422 32.250 28.738 0.151 0.000 1.419 527 Q HN 0.872 nan 8.270 nan 0.000 0.427 528 M N 2.097 121.752 119.600 0.092 0.000 2.326 528 M HA 0.435 4.913 4.480 -0.004 0.000 0.292 528 M C -1.356 174.869 176.300 -0.126 0.000 1.081 528 M CA -0.922 54.354 55.300 -0.039 0.000 0.919 528 M CB 2.328 34.864 32.600 -0.106 0.000 1.634 528 M HN 0.604 nan 8.290 nan 0.000 0.451 529 I N 4.885 125.366 120.570 -0.148 0.000 2.297 529 I HA 0.377 4.545 4.170 -0.004 0.000 0.291 529 I C -0.470 175.475 176.117 -0.286 0.000 1.033 529 I CA -0.287 60.901 61.300 -0.188 0.000 1.253 529 I CB 0.395 38.303 38.000 -0.154 0.000 1.396 529 I HN 0.626 nan 8.210 nan 0.000 0.476 530 L N 8.343 129.344 121.223 -0.369 0.000 2.309 530 L HA 0.460 4.798 4.340 -0.004 0.000 0.282 530 L C -2.203 174.444 176.870 -0.372 0.000 1.036 530 L CA -1.783 52.726 54.840 -0.552 0.000 0.806 530 L CB 1.417 42.957 42.059 -0.866 0.000 1.220 530 L HN 0.264 nan 8.230 nan 0.000 0.429 531 P HA 0.094 nan 4.420 nan 0.000 0.270 531 P C -2.465 174.767 177.300 -0.113 0.000 1.223 531 P CA -0.823 62.174 63.100 -0.171 0.000 0.785 531 P CB -0.058 31.576 31.700 -0.110 0.000 0.923 532 P HA -0.011 nan 4.420 nan 0.000 0.269 532 P C -0.481 176.743 177.300 -0.128 0.000 1.217 532 P CA 0.322 63.279 63.100 -0.238 0.000 0.783 532 P CB -0.293 31.205 31.700 -0.337 0.000 0.898 533 H N -2.432 116.672 119.070 0.056 0.000 2.594 533 H HA -0.234 4.319 4.556 -0.004 0.000 0.316 533 H C 0.072 175.464 175.328 0.106 0.000 1.107 533 H CA -0.280 55.808 56.048 0.066 0.000 1.133 533 H CB -2.238 27.555 29.762 0.052 0.000 1.459 533 H HN 0.283 nan 8.280 nan 0.000 0.411 534 F N 2.096 122.034 119.950 -0.020 0.000 2.629 534 F HA 0.099 4.624 4.527 -0.004 0.000 0.377 534 F C 0.572 176.392 175.800 0.034 0.000 1.101 534 F CA 0.008 57.956 58.000 -0.087 0.000 1.301 534 F CB 0.532 39.369 39.000 -0.272 0.000 1.062 534 F HN 0.287 nan 8.300 nan 0.000 0.583 535 D N 5.430 125.505 120.400 -0.541 0.000 2.473 535 D HA 0.131 4.768 4.640 -0.004 0.000 0.253 535 D C 0.379 176.284 176.300 -0.658 0.000 1.233 535 D CA -0.593 53.157 54.000 -0.417 0.000 0.908 535 D CB 1.057 41.770 40.800 -0.144 0.000 1.170 535 D HN 0.668 nan 8.370 nan 0.000 0.558 536 K N 1.241 121.270 120.400 -0.618 0.000 2.574 536 K HA -0.080 4.238 4.320 -0.004 0.000 0.193 536 K C 0.873 177.446 176.600 -0.044 0.000 1.035 536 K CA 0.900 56.993 56.287 -0.323 0.000 0.982 536 K CB -0.059 32.434 32.500 -0.012 0.000 0.795 536 K HN 0.170 nan 8.250 nan 0.000 0.491 537 S N -0.147 115.495 115.700 -0.098 0.000 2.605 537 S HA 0.135 4.603 4.470 -0.004 0.000 0.217 537 S C -0.025 174.528 174.600 -0.078 0.000 0.958 537 S CA -0.615 57.554 58.200 -0.051 0.000 0.919 537 S CB -0.031 63.135 63.200 -0.056 0.000 0.780 537 S HN 0.249 nan 8.310 nan 0.000 0.507 538 K N 0.794 121.122 120.400 -0.119 0.000 2.295 538 K HA 0.499 4.817 4.320 -0.004 0.000 0.239 538 K C -0.869 175.645 176.600 -0.142 0.000 0.991 538 K CA -1.024 55.133 56.287 -0.217 0.000 0.845 538 K CB 0.980 33.204 32.500 -0.460 0.000 1.197 538 K HN -0.074 nan 8.250 nan 0.000 0.441 539 K N 2.199 122.472 120.400 -0.211 0.000 2.316 539 K HA 0.288 4.606 4.320 -0.004 0.000 0.267 539 K C -1.019 175.471 176.600 -0.182 0.000 1.025 539 K CA -0.348 55.889 56.287 -0.085 0.000 0.896 539 K CB 0.634 33.085 32.500 -0.083 0.000 1.124 539 K HN 0.479 nan 8.250 nan 0.000 0.451 540 Y N 3.017 123.347 120.300 0.049 0.000 2.419 540 Y HA 0.277 4.825 4.550 -0.004 0.000 0.328 540 Y C -1.721 174.122 175.900 -0.096 0.000 1.162 540 Y CA -2.162 55.940 58.100 0.004 0.000 1.174 540 Y CB 1.037 39.565 38.460 0.113 0.000 1.228 540 Y HN 0.437 nan 8.280 nan 0.000 0.473 541 P HA 0.166 nan 4.420 nan 0.000 0.274 541 P C -1.164 175.982 177.300 -0.256 0.000 1.231 541 P CA -0.192 62.629 63.100 -0.465 0.000 0.790 541 P CB 1.604 32.665 31.700 -1.065 0.000 0.951 542 L N 2.925 124.041 121.223 -0.179 0.000 2.385 542 L HA 0.512 4.850 4.340 -0.004 0.000 0.273 542 L C -1.159 175.877 176.870 0.277 0.000 0.990 542 L CA -1.183 53.693 54.840 0.060 0.000 0.821 542 L CB 1.766 43.872 42.059 0.078 0.000 1.279 542 L HN 0.167 nan 8.230 nan 0.000 0.412 543 L N 5.589 126.994 121.223 0.303 0.000 2.298 543 L HA 0.497 4.835 4.340 -0.004 0.000 0.284 543 L C -1.253 175.836 176.870 0.366 0.000 1.013 543 L CA -0.336 54.745 54.840 0.402 0.000 0.824 543 L CB 1.546 43.802 42.059 0.329 0.000 1.221 543 L HN 0.613 nan 8.230 nan 0.000 0.418 544 L N 5.153 126.639 121.223 0.440 0.000 2.261 544 L HA 0.408 4.746 4.340 -0.004 0.000 0.289 544 L C -0.549 176.555 176.870 0.391 0.000 1.059 544 L CA 0.218 55.304 54.840 0.409 0.000 0.816 544 L CB 0.568 42.911 42.059 0.473 0.000 1.191 544 L HN 0.644 nan 8.230 nan 0.000 0.431 545 D N 4.456 125.062 120.400 0.343 0.000 2.347 545 D HA 0.265 4.902 4.640 -0.004 0.000 0.235 545 D C -0.965 175.419 176.300 0.140 0.000 1.149 545 D CA 0.078 54.210 54.000 0.220 0.000 0.850 545 D CB 1.273 42.265 40.800 0.320 0.000 1.061 545 D HN 0.349 nan 8.370 nan 0.000 0.487 546 V N 5.295 125.228 119.914 0.031 0.000 2.864 546 V HA 0.503 4.620 4.120 -0.004 0.000 0.314 546 V C -1.041 175.151 176.094 0.164 0.000 1.073 546 V CA -0.392 61.987 62.300 0.132 0.000 0.956 546 V CB 1.896 33.804 31.823 0.142 0.000 1.023 546 V HN 0.682 nan 8.190 nan 0.000 0.435 547 Y N 4.694 125.070 120.300 0.126 0.000 3.266 547 Y HA 0.550 5.098 4.550 -0.003 0.000 0.189 547 Y C 1.538 177.593 175.900 0.258 0.000 0.895 547 Y CA 0.964 59.167 58.100 0.171 0.000 1.706 547 Y CB 0.288 38.823 38.460 0.126 0.000 1.449 547 Y HN 1.094 nan 8.280 nan 0.000 0.391 548 A N 1.120 124.041 122.820 0.168 0.000 2.847 548 A HA -0.168 4.150 4.320 -0.004 0.000 0.263 548 A C 0.789 178.204 177.584 -0.282 0.000 1.391 548 A CA 0.915 52.993 52.037 0.068 0.000 0.866 548 A CB -2.478 16.633 19.000 0.185 0.000 1.057 548 A HN 0.955 nan 8.150 nan 0.000 0.673 549 G N -0.388 107.940 108.800 -0.787 0.000 2.606 549 G HA2 0.497 4.455 3.960 -0.004 0.000 0.252 549 G HA3 0.497 4.455 3.960 -0.004 0.000 0.252 549 G C -1.786 172.758 174.900 -0.593 0.000 1.206 549 G CA -0.614 43.596 45.100 -1.484 0.000 0.861 549 G HN 0.422 nan 8.290 nan 0.000 0.561 550 P HA 0.008 nan 4.420 nan 0.000 0.264 550 P C 0.592 177.739 177.300 -0.256 0.000 1.193 550 P CA 0.223 63.029 63.100 -0.491 0.000 0.763 550 P CB 0.731 31.758 31.700 -1.121 0.000 0.810 551 C N 2.351 121.562 119.300 -0.147 0.000 4.454 551 C HA -0.128 4.330 4.460 -0.004 0.000 0.298 551 C C 0.914 175.912 174.990 0.013 0.000 1.384 551 C CA 1.138 60.035 59.018 -0.201 0.000 2.002 551 C CB -2.664 24.794 27.740 -0.471 0.000 1.249 551 C HN 0.838 nan 8.230 nan 0.000 0.783 552 S N -0.126 115.648 115.700 0.123 0.000 2.718 552 S HA 0.754 5.222 4.470 -0.004 0.000 0.300 552 S C -0.803 173.958 174.600 0.269 0.000 1.117 552 S CA -0.111 58.267 58.200 0.297 0.000 1.002 552 S CB 1.896 65.357 63.200 0.435 0.000 1.092 552 S HN 0.849 nan 8.310 nan 0.000 0.542 553 Q N -0.102 119.894 119.800 0.327 0.000 2.296 553 Q HA 0.381 4.718 4.340 -0.004 0.000 0.254 553 Q C -0.873 175.267 176.000 0.234 0.000 0.936 553 Q CA -0.577 55.406 55.803 0.300 0.000 0.834 553 Q CB 1.198 30.186 28.738 0.416 0.000 1.340 553 Q HN 0.692 nan 8.270 nan 0.000 0.428 554 K N 1.158 121.690 120.400 0.219 0.000 2.358 554 K HA 0.341 4.659 4.320 -0.004 0.000 0.200 554 K C -0.436 176.275 176.600 0.185 0.000 1.030 554 K CA 0.268 56.671 56.287 0.193 0.000 1.097 554 K CB 1.525 34.162 32.500 0.229 0.000 0.862 554 K HN 0.501 nan 8.250 nan 0.000 0.534 555 A N 2.672 125.611 122.820 0.198 0.000 2.277 555 A HA 0.448 4.766 4.320 -0.004 0.000 0.318 555 A C -0.776 176.890 177.584 0.137 0.000 1.339 555 A CA -0.532 51.625 52.037 0.200 0.000 0.875 555 A CB 0.241 19.416 19.000 0.292 0.000 1.158 555 A HN 0.246 nan 8.150 nan 0.000 0.514 556 D N -0.082 120.376 120.400 0.097 0.000 2.812 556 D HA 0.448 5.085 4.640 -0.004 0.000 0.318 556 D C 0.308 176.641 176.300 0.055 0.000 1.234 556 D CA 0.294 54.343 54.000 0.081 0.000 0.989 556 D CB 0.391 41.239 40.800 0.080 0.000 1.442 556 D HN 0.196 nan 8.370 nan 0.000 0.537 557 T N -2.190 112.419 114.554 0.092 0.000 3.214 557 T HA 0.371 4.719 4.350 -0.004 0.000 0.264 557 T C 0.206 174.897 174.700 -0.014 0.000 1.012 557 T CA -0.401 61.742 62.100 0.072 0.000 0.901 557 T CB -0.709 68.238 68.868 0.130 0.000 1.070 557 T HN 0.262 nan 8.240 nan 0.000 0.561 558 V N 2.321 122.127 119.914 -0.179 0.000 2.649 558 V HA 0.398 4.516 4.120 -0.004 0.000 0.292 558 V C -0.060 175.990 176.094 -0.074 0.000 1.055 558 V CA -1.010 61.137 62.300 -0.256 0.000 1.023 558 V CB 0.577 32.110 31.823 -0.485 0.000 0.992 558 V HN 0.589 nan 8.190 nan 0.000 0.480 559 F N 6.054 125.911 119.950 -0.154 0.000 2.404 559 F HA 0.580 5.105 4.527 -0.004 0.000 0.358 559 F C 0.430 176.174 175.800 -0.093 0.000 1.120 559 F CA -0.252 57.682 58.000 -0.110 0.000 1.144 559 F CB 0.254 39.197 39.000 -0.094 0.000 1.133 559 F HN 0.423 nan 8.300 nan 0.000 0.495 560 R N 6.286 126.356 120.500 -0.717 0.000 2.750 560 R HA 0.606 4.944 4.340 -0.004 0.000 0.281 560 R C -1.540 174.335 176.300 -0.708 0.000 0.972 560 R CA -1.112 54.671 56.100 -0.528 0.000 0.912 560 R CB 2.199 32.345 30.300 -0.256 0.000 1.187 560 R HN 0.655 nan 8.270 nan 0.000 0.464 561 L N 3.832 124.825 121.223 -0.384 0.000 2.337 561 L HA 0.394 4.732 4.340 -0.004 0.000 0.269 561 L C -0.762 176.078 176.870 -0.050 0.000 1.018 561 L CA -0.650 54.013 54.840 -0.296 0.000 0.876 561 L CB 0.572 42.599 42.059 -0.053 0.000 1.236 561 L HN 0.785 nan 8.230 nan 0.000 0.436 562 N N 0.100 118.691 118.700 -0.182 0.000 3.479 562 N HA 0.176 4.914 4.740 -0.004 0.000 0.336 562 N C 0.216 175.342 175.510 -0.641 0.000 1.623 562 N CA -0.862 52.002 53.050 -0.311 0.000 0.759 562 N CB 0.159 38.587 38.487 -0.099 0.000 2.016 562 N HN 0.267 nan 8.380 nan 0.000 0.637 563 W N 0.538 121.212 121.300 -1.043 0.000 2.342 563 W HA 0.164 4.822 4.660 -0.004 0.000 0.297 563 W C 1.998 178.439 176.519 -0.129 0.000 1.213 563 W CA 2.714 59.683 57.345 -0.628 0.000 1.251 563 W CB -0.945 28.311 29.460 -0.340 0.000 1.136 563 W HN 0.693 nan 8.180 nan 0.000 0.526 564 A N -0.760 122.025 122.820 -0.058 0.000 2.015 564 A HA -0.151 4.167 4.320 -0.004 0.000 0.219 564 A C 1.929 179.393 177.584 -0.198 0.000 1.163 564 A CA 2.165 54.105 52.037 -0.162 0.000 0.646 564 A CB -1.144 17.842 19.000 -0.024 0.000 0.806 564 A HN 0.273 nan 8.150 nan 0.000 0.448 565 T N -1.108 113.334 114.554 -0.187 0.000 2.674 565 T HA -0.200 4.148 4.350 -0.004 0.000 0.265 565 T C 1.824 176.517 174.700 -0.011 0.000 1.039 565 T CA 1.786 63.743 62.100 -0.238 0.000 1.150 565 T CB -0.502 68.019 68.868 -0.580 0.000 0.864 565 T HN 0.698 nan 8.240 nan 0.000 0.427 566 Y N 2.017 122.391 120.300 0.123 0.000 2.181 566 Y HA -0.051 4.497 4.550 -0.003 0.000 0.288 566 Y C 1.959 177.840 175.900 -0.033 0.000 1.146 566 Y CA 0.998 59.214 58.100 0.192 0.000 1.164 566 Y CB -0.771 37.797 38.460 0.179 0.000 0.982 566 Y HN 0.129 nan 8.280 nan 0.000 0.515 567 L N 0.151 120.944 121.223 -0.718 0.000 2.083 567 L HA -0.208 4.130 4.340 -0.004 0.000 0.209 567 L C 2.814 179.419 176.870 -0.441 0.000 1.083 567 L CA 1.302 55.645 54.840 -0.829 0.000 0.752 567 L CB -0.939 40.663 42.059 -0.761 0.000 0.899 567 L HN 0.429 nan 8.230 nan 0.000 0.433 568 A N -1.200 121.444 122.820 -0.294 0.000 1.874 568 A HA -0.166 4.152 4.320 -0.004 0.000 0.214 568 A C 2.511 180.009 177.584 -0.143 0.000 1.189 568 A CA 1.622 53.538 52.037 -0.202 0.000 0.615 568 A CB -0.593 18.285 19.000 -0.202 0.000 0.830 568 A HN 0.332 nan 8.150 nan 0.000 0.443 569 S N -0.937 114.700 115.700 -0.106 0.000 2.345 569 S HA -0.130 4.338 4.470 -0.004 0.000 0.220 569 S C 2.005 176.612 174.600 0.012 0.000 1.031 569 S CA 2.351 60.539 58.200 -0.019 0.000 0.996 569 S CB -0.482 62.764 63.200 0.076 0.000 0.882 569 S HN 0.556 nan 8.310 nan 0.000 0.445 570 T N 1.241 115.788 114.554 -0.010 0.000 2.976 570 T HA 0.176 4.524 4.350 -0.004 0.000 0.257 570 T C 1.264 175.932 174.700 -0.054 0.000 1.051 570 T CA 0.627 62.741 62.100 0.024 0.000 1.141 570 T CB -0.086 68.889 68.868 0.179 0.000 0.881 570 T HN 0.335 nan 8.240 nan 0.000 0.461 571 E N 1.231 121.304 120.200 -0.213 0.000 2.463 571 E HA 0.180 4.528 4.350 -0.004 0.000 0.193 571 E C -0.062 176.510 176.600 -0.046 0.000 1.041 571 E CA -0.140 56.177 56.400 -0.139 0.000 0.879 571 E CB -0.349 29.200 29.700 -0.251 0.000 0.997 571 E HN 0.540 nan 8.360 nan 0.000 0.478 572 N N 0.842 119.527 118.700 -0.026 0.000 2.716 572 N HA -0.202 4.535 4.740 -0.004 0.000 0.250 572 N C -0.674 174.892 175.510 0.094 0.000 1.033 572 N CA 0.296 53.390 53.050 0.073 0.000 0.727 572 N CB -1.168 37.427 38.487 0.179 0.000 0.950 572 N HN 0.245 nan 8.380 nan 0.000 0.541 573 I N 0.830 121.384 120.570 -0.028 0.000 2.392 573 I HA 0.338 4.506 4.170 -0.004 0.000 0.295 573 I C 0.619 176.687 176.117 -0.082 0.000 0.985 573 I CA -0.843 60.446 61.300 -0.018 0.000 1.221 573 I CB 1.314 39.311 38.000 -0.004 0.000 1.366 573 I HN 0.026 nan 8.210 nan 0.000 0.467 574 I N 6.289 126.823 120.570 -0.061 0.000 2.371 574 I HA 0.189 4.357 4.170 -0.004 0.000 0.290 574 I C -0.423 175.659 176.117 -0.058 0.000 1.028 574 I CA -0.468 60.756 61.300 -0.127 0.000 1.345 574 I CB 1.149 39.084 38.000 -0.108 0.000 1.407 574 I HN 0.191 nan 8.210 nan 0.000 0.501 575 V N 6.564 126.432 119.914 -0.076 0.000 2.357 575 V HA 0.630 4.748 4.120 -0.004 0.000 0.284 575 V C 0.314 176.417 176.094 0.015 0.000 1.018 575 V CA -0.448 61.860 62.300 0.014 0.000 0.841 575 V CB 1.223 33.057 31.823 0.017 0.000 0.991 575 V HN 0.842 nan 8.190 nan 0.000 0.437 576 A N 3.960 126.815 122.820 0.058 0.000 2.356 576 A HA 0.943 5.261 4.320 -0.004 0.000 0.323 576 A C -0.205 177.520 177.584 0.236 0.000 1.119 576 A CA -0.516 51.549 52.037 0.048 0.000 0.790 576 A CB 1.730 20.570 19.000 -0.267 0.000 1.273 576 A HN 0.689 nan 8.150 nan 0.000 0.452 577 S N -0.114 115.781 115.700 0.324 0.000 2.541 577 S HA 0.737 5.205 4.470 -0.004 0.000 0.280 577 S C -1.476 173.482 174.600 0.596 0.000 1.112 577 S CA -0.296 58.147 58.200 0.404 0.000 0.925 577 S CB 1.278 64.655 63.200 0.295 0.000 1.067 577 S HN 0.732 nan 8.310 nan 0.000 0.479 578 F N 1.889 122.080 119.950 0.401 0.000 2.556 578 F HA 0.494 5.019 4.527 -0.004 0.000 0.314 578 F C -1.453 174.551 175.800 0.341 0.000 1.106 578 F CA -0.738 57.519 58.000 0.427 0.000 0.911 578 F CB 1.514 40.734 39.000 0.367 0.000 1.190 578 F HN 0.389 nan 8.300 nan 0.000 0.448 579 D N 4.548 124.731 120.400 -0.361 0.000 2.473 579 D HA 0.374 5.012 4.640 -0.004 0.000 0.226 579 D C 0.298 176.346 176.300 -0.420 0.000 1.089 579 D CA 0.092 53.982 54.000 -0.184 0.000 0.883 579 D CB 1.476 42.315 40.800 0.066 0.000 1.029 579 D HN 0.764 nan 8.370 nan 0.000 0.517 580 G N 1.203 109.863 108.800 -0.234 0.000 2.782 580 G HA2 0.309 4.267 3.960 -0.004 0.000 0.201 580 G HA3 0.309 4.267 3.960 -0.004 0.000 0.201 580 G C 0.098 175.046 174.900 0.081 0.000 1.374 580 G CA -0.732 44.274 45.100 -0.156 0.000 1.039 580 G HN 0.274 nan 8.290 nan 0.000 0.576 581 R N -0.605 119.916 120.500 0.035 0.000 2.585 581 R HA 0.356 4.694 4.340 -0.004 0.000 0.275 581 R C 1.252 177.644 176.300 0.153 0.000 1.018 581 R CA 1.502 57.693 56.100 0.153 0.000 1.072 581 R CB 0.409 30.766 30.300 0.096 0.000 0.953 581 R HN 1.071 nan 8.270 nan 0.000 0.419 582 G N 1.137 110.020 108.800 0.138 0.000 2.258 582 G HA2 -0.331 3.626 3.960 -0.004 0.000 0.233 582 G HA3 -0.331 3.626 3.960 -0.004 0.000 0.233 582 G C 0.149 175.074 174.900 0.042 0.000 1.006 582 G CA 0.135 45.293 45.100 0.098 0.000 0.620 582 G HN 0.729 nan 8.290 nan 0.000 0.511 583 S N 0.500 116.238 115.700 0.062 0.000 2.584 583 S HA 0.636 5.104 4.470 -0.004 0.000 0.270 583 S C 0.889 175.461 174.600 -0.047 0.000 1.346 583 S CA 0.529 58.752 58.200 0.038 0.000 1.018 583 S CB 1.752 65.010 63.200 0.097 0.000 0.899 583 S HN 1.673 nan 8.310 nan 0.000 0.542 584 G N -0.731 107.977 108.800 -0.153 0.000 2.613 584 G HA2 0.497 4.455 3.960 -0.004 0.000 0.303 584 G HA3 0.497 4.455 3.960 -0.004 0.000 0.303 584 G C -0.928 173.774 174.900 -0.330 0.000 1.312 584 G CA -1.015 43.829 45.100 -0.427 0.000 1.036 584 G HN 0.935 nan 8.290 nan 0.000 0.513 585 Y N -2.392 117.904 120.300 -0.006 0.000 4.668 585 Y HA -0.214 4.334 4.550 -0.004 0.000 0.234 585 Y C 1.397 177.291 175.900 -0.011 0.000 1.056 585 Y CA 1.057 59.157 58.100 -0.000 0.000 2.025 585 Y CB -2.196 36.284 38.460 0.033 0.000 1.613 585 Y HN 0.533 nan 8.280 nan 0.000 0.653 586 Q N -0.066 119.726 119.800 -0.012 0.000 2.086 586 Q HA 0.514 4.852 4.340 -0.004 0.000 0.220 586 Q C 0.898 176.722 176.000 -0.294 0.000 0.792 586 Q CA 0.222 56.013 55.803 -0.020 0.000 1.062 586 Q CB 1.656 30.392 28.738 -0.003 0.000 1.198 586 Q HN 0.582 nan 8.270 nan 0.000 0.466 587 G N 0.750 109.240 108.800 -0.517 0.000 2.675 587 G HA2 -0.170 3.787 3.960 -0.004 0.000 0.686 587 G HA3 -0.170 3.787 3.960 -0.004 0.000 0.686 587 G C -0.512 174.003 174.900 -0.641 0.000 1.215 587 G CA -0.639 43.882 45.100 -0.965 0.000 0.777 587 G HN 0.101 nan 8.290 nan 0.000 0.638 588 D N 0.144 120.143 120.400 -0.669 0.000 2.264 588 D HA -0.055 4.583 4.640 -0.004 0.000 0.208 588 D C 2.230 178.259 176.300 -0.452 0.000 0.966 588 D CA 1.382 54.952 54.000 -0.716 0.000 0.864 588 D CB 0.101 40.424 40.800 -0.794 0.000 0.933 588 D HN 0.525 nan 8.370 nan 0.000 0.499 589 K N 0.882 121.073 120.400 -0.347 0.000 2.057 589 K HA -0.068 4.250 4.320 -0.004 0.000 0.207 589 K C 1.903 178.429 176.600 -0.122 0.000 1.049 589 K CA 0.989 57.162 56.287 -0.190 0.000 0.931 589 K CB -0.333 32.069 32.500 -0.163 0.000 0.714 589 K HN 0.128 nan 8.250 nan 0.000 0.440 590 I N -0.191 120.293 120.570 -0.144 0.000 2.277 590 I HA -0.147 4.021 4.170 -0.004 0.000 0.243 590 I C 2.556 178.663 176.117 -0.017 0.000 1.094 590 I CA 1.064 62.348 61.300 -0.026 0.000 1.393 590 I CB -0.159 37.833 38.000 -0.012 0.000 1.078 590 I HN 0.280 nan 8.210 nan 0.000 0.417 591 M N 0.175 119.698 119.600 -0.129 0.000 2.086 591 M HA -0.249 4.229 4.480 -0.004 0.000 0.261 591 M C 1.863 178.209 176.300 0.076 0.000 1.067 591 M CA 2.021 57.274 55.300 -0.079 0.000 1.116 591 M CB -0.339 32.114 32.600 -0.244 0.000 1.348 591 M HN 0.266 nan 8.290 nan 0.000 0.407 592 H N -0.695 118.266 119.070 -0.182 0.000 2.543 592 H HA 0.172 4.726 4.556 -0.004 0.000 0.269 592 H C 1.767 177.100 175.328 0.010 0.000 1.005 592 H CA 0.056 55.999 56.048 -0.174 0.000 1.146 592 H CB 0.126 29.693 29.762 -0.325 0.000 1.353 592 H HN 0.528 nan 8.280 nan 0.000 0.595 593 A N 1.461 124.379 122.820 0.164 0.000 2.019 593 A HA -0.108 4.210 4.320 -0.004 0.000 0.219 593 A C 2.068 179.851 177.584 0.331 0.000 1.164 593 A CA 0.890 53.042 52.037 0.191 0.000 0.644 593 A CB -0.576 18.491 19.000 0.112 0.000 0.805 593 A HN 0.564 nan 8.150 nan 0.000 0.449 594 I N -3.008 117.734 120.570 0.286 0.000 3.875 594 I HA 0.127 4.295 4.170 -0.004 0.000 0.329 594 I C 0.450 176.660 176.117 0.155 0.000 1.295 594 I CA -0.408 61.024 61.300 0.221 0.000 1.129 594 I CB -0.769 37.326 38.000 0.158 0.000 1.008 594 I HN 0.213 nan 8.210 nan 0.000 0.413 595 N N 3.054 121.883 118.700 0.213 0.000 2.292 595 N HA -0.107 4.631 4.740 -0.004 0.000 0.258 595 N C 0.229 175.771 175.510 0.054 0.000 1.261 595 N CA 0.377 53.545 53.050 0.197 0.000 0.845 595 N CB 0.320 38.871 38.487 0.106 0.000 1.064 595 N HN 0.377 nan 8.380 nan 0.000 0.471 596 R N 0.329 120.843 120.500 0.023 0.000 4.000 596 R HA -0.205 4.133 4.340 -0.004 0.000 0.348 596 R C -0.311 175.880 176.300 -0.180 0.000 1.204 596 R CA 0.850 56.919 56.100 -0.052 0.000 0.987 596 R CB -0.837 29.445 30.300 -0.030 0.000 1.446 596 R HN 0.538 nan 8.270 nan 0.000 0.555 597 R N 0.733 121.110 120.500 -0.205 0.000 2.718 597 R HA 0.349 4.687 4.340 -0.004 0.000 0.307 597 R C -0.541 175.712 176.300 -0.078 0.000 1.244 597 R CA -0.215 55.616 56.100 -0.447 0.000 1.348 597 R CB 0.462 30.479 30.300 -0.472 0.000 1.304 597 R HN 0.082 nan 8.270 nan 0.000 0.663 598 L N -0.611 120.652 121.223 0.066 0.000 2.473 598 L HA 0.282 4.620 4.340 -0.004 0.000 0.268 598 L C 1.357 178.456 176.870 0.381 0.000 1.215 598 L CA 0.771 55.678 54.840 0.111 0.000 0.823 598 L CB 0.550 42.451 42.059 -0.263 0.000 1.099 598 L HN 0.687 nan 8.230 nan 0.000 0.483 599 G N 0.313 109.385 108.800 0.453 0.000 2.143 599 G HA2 -0.292 3.666 3.960 -0.004 0.000 0.249 599 G HA3 -0.292 3.666 3.960 -0.004 0.000 0.249 599 G C 0.439 175.437 174.900 0.164 0.000 0.981 599 G CA 0.619 45.947 45.100 0.380 0.000 0.665 599 G HN 0.850 nan 8.290 nan 0.000 0.528 600 T N -3.547 111.059 114.554 0.087 0.000 3.257 600 T HA 0.476 4.824 4.350 -0.004 0.000 0.176 600 T C 1.626 176.315 174.700 -0.018 0.000 0.892 600 T CA 0.858 62.911 62.100 -0.078 0.000 1.147 600 T CB -0.067 68.575 68.868 -0.377 0.000 1.840 600 T HN 0.133 nan 8.240 nan 0.000 0.375 601 F N 3.547 123.535 119.950 0.064 0.000 2.120 601 F HA 0.017 4.541 4.527 -0.004 0.000 0.300 601 F C 2.802 178.637 175.800 0.059 0.000 1.095 601 F CA 1.426 59.454 58.000 0.047 0.000 1.249 601 F CB -0.708 38.317 39.000 0.041 0.000 0.995 601 F HN 0.531 nan 8.300 nan 0.000 0.480 602 E N 0.643 121.007 120.200 0.272 0.000 2.204 602 E HA -0.112 4.236 4.350 -0.004 0.000 0.194 602 E C 2.091 178.803 176.600 0.186 0.000 0.989 602 E CA 1.291 57.824 56.400 0.222 0.000 0.824 602 E CB -0.984 28.850 29.700 0.223 0.000 0.756 602 E HN 0.298 nan 8.360 nan 0.000 0.477 603 V N 1.621 121.621 119.914 0.143 0.000 2.302 603 V HA -0.192 3.926 4.120 -0.004 0.000 0.243 603 V C 2.310 178.441 176.094 0.062 0.000 1.036 603 V CA 2.028 64.366 62.300 0.064 0.000 1.020 603 V CB -0.547 31.272 31.823 -0.007 0.000 0.657 603 V HN 0.202 nan 8.190 nan 0.000 0.453 604 E N 0.303 120.554 120.200 0.084 0.000 2.085 604 E HA -0.254 4.094 4.350 -0.004 0.000 0.194 604 E C 1.896 178.523 176.600 0.045 0.000 0.994 604 E CA 1.602 58.046 56.400 0.074 0.000 0.801 604 E CB -0.251 29.522 29.700 0.122 0.000 0.743 604 E HN 0.551 nan 8.360 nan 0.000 0.453 605 D N 0.241 120.683 120.400 0.070 0.000 2.218 605 D HA -0.156 4.482 4.640 -0.004 0.000 0.204 605 D C 1.896 178.161 176.300 -0.059 0.000 0.976 605 D CA 0.886 54.890 54.000 0.007 0.000 0.853 605 D CB -0.104 40.754 40.800 0.097 0.000 0.939 605 D HN 0.050 nan 8.370 nan 0.000 0.481 606 Q N 0.163 119.998 119.800 0.058 0.000 2.083 606 Q HA 0.029 4.367 4.340 -0.004 0.000 0.198 606 Q C 2.155 178.180 176.000 0.041 0.000 0.969 606 Q CA 0.779 56.627 55.803 0.075 0.000 0.838 606 Q CB -0.150 28.663 28.738 0.125 0.000 0.900 606 Q HN 0.317 nan 8.270 nan 0.000 0.436 607 I N 0.187 120.803 120.570 0.076 0.000 2.226 607 I HA -0.232 3.936 4.170 -0.004 0.000 0.245 607 I C 2.164 178.257 176.117 -0.040 0.000 1.100 607 I CA 1.325 62.721 61.300 0.161 0.000 1.374 607 I CB -0.272 37.807 38.000 0.132 0.000 1.057 607 I HN 0.231 nan 8.210 nan 0.000 0.413 608 E N 1.596 121.711 120.200 -0.142 0.000 2.110 608 E HA -0.194 4.154 4.350 -0.004 0.000 0.193 608 E C 2.105 178.426 176.600 -0.464 0.000 0.988 608 E CA 1.659 57.910 56.400 -0.249 0.000 0.804 608 E CB -0.206 29.360 29.700 -0.224 0.000 0.745 608 E HN 0.407 nan 8.360 nan 0.000 0.458 609 A N 0.810 123.209 122.820 -0.703 0.000 1.908 609 A HA -0.100 4.218 4.320 -0.004 0.000 0.218 609 A C 2.455 179.412 177.584 -1.044 0.000 1.181 609 A CA 2.267 53.579 52.037 -1.208 0.000 0.627 609 A CB -1.044 17.053 19.000 -1.505 0.000 0.818 609 A HN 0.389 nan 8.150 nan 0.000 0.445 610 A N -0.291 122.287 122.820 -0.403 0.000 1.933 610 A HA -0.153 4.165 4.320 -0.004 0.000 0.218 610 A C 2.240 179.679 177.584 -0.242 0.000 1.175 610 A CA 1.461 53.413 52.037 -0.142 0.000 0.628 610 A CB -0.448 18.498 19.000 -0.090 0.000 0.814 610 A HN 0.568 nan 8.150 nan 0.000 0.444 611 R N -0.698 119.631 120.500 -0.284 0.000 2.081 611 R HA -0.125 4.213 4.340 -0.004 0.000 0.235 611 R C 2.402 178.549 176.300 -0.254 0.000 1.131 611 R CA 1.416 57.375 56.100 -0.235 0.000 0.960 611 R CB -0.335 29.846 30.300 -0.199 0.000 0.856 611 R HN 0.565 nan 8.270 nan 0.000 0.436 612 Q N -0.045 119.527 119.800 -0.380 0.000 2.084 612 Q HA -0.146 4.191 4.340 -0.004 0.000 0.202 612 Q C 2.058 177.887 176.000 -0.284 0.000 0.978 612 Q CA 1.459 57.038 55.803 -0.372 0.000 0.844 612 Q CB -0.216 28.204 28.738 -0.530 0.000 0.898 612 Q HN 0.295 nan 8.270 nan 0.000 0.426 613 F N 1.272 121.063 119.950 -0.266 0.000 2.186 613 F HA -0.151 4.374 4.527 -0.003 0.000 0.299 613 F C 2.740 178.356 175.800 -0.307 0.000 1.090 613 F CA 1.232 59.060 58.000 -0.286 0.000 1.307 613 F CB -1.211 37.666 39.000 -0.206 0.000 1.019 613 F HN 0.077 nan 8.300 nan 0.000 0.489 614 S N -0.137 115.525 115.700 -0.063 0.000 2.368 614 S HA -0.152 4.316 4.470 -0.004 0.000 0.224 614 S C 1.782 176.281 174.600 -0.168 0.000 1.029 614 S CA 0.779 58.905 58.200 -0.124 0.000 0.988 614 S CB -0.446 62.682 63.200 -0.119 0.000 0.838 614 S HN 0.156 nan 8.310 nan 0.000 0.462 615 K N 1.139 121.445 120.400 -0.157 0.000 2.585 615 K HA 0.210 4.528 4.320 -0.004 0.000 0.194 615 K C 1.512 178.008 176.600 -0.174 0.000 1.037 615 K CA 0.469 56.669 56.287 -0.145 0.000 0.964 615 K CB -0.634 31.792 32.500 -0.123 0.000 0.787 615 K HN 0.521 nan 8.250 nan 0.000 0.488 616 M N -0.869 118.566 119.600 -0.275 0.000 2.562 616 M HA -0.017 4.460 4.480 -0.004 0.000 0.257 616 M C 1.059 177.087 176.300 -0.453 0.000 1.099 616 M CA 0.888 55.954 55.300 -0.391 0.000 1.099 616 M CB 0.084 32.307 32.600 -0.629 0.000 1.427 616 M HN 0.426 nan 8.290 nan 0.000 0.489 617 G N 0.762 109.349 108.800 -0.354 0.000 2.253 617 G HA2 -0.309 3.649 3.960 -0.004 0.000 0.251 617 G HA3 -0.309 3.649 3.960 -0.004 0.000 0.251 617 G C 0.431 175.286 174.900 -0.074 0.000 0.998 617 G CA 0.450 45.444 45.100 -0.176 0.000 0.621 617 G HN 0.595 nan 8.290 nan 0.000 0.524 618 F N 0.402 120.407 119.950 0.093 0.000 2.647 618 F HA 0.779 5.304 4.527 -0.003 0.000 0.300 618 F C 0.158 176.065 175.800 0.178 0.000 1.106 618 F CA -1.473 56.612 58.000 0.141 0.000 1.313 618 F CB 0.006 39.158 39.000 0.253 0.000 1.007 618 F HN 0.093 nan 8.300 nan 0.000 0.536 619 V N 1.136 121.093 119.914 0.072 0.000 2.555 619 V HA 0.257 4.375 4.120 -0.004 0.000 0.302 619 V C -0.791 175.301 176.094 -0.002 0.000 1.038 619 V CA -0.771 61.578 62.300 0.081 0.000 0.887 619 V CB 1.856 33.673 31.823 -0.010 0.000 0.991 619 V HN 0.080 nan 8.190 nan 0.000 0.434 620 D N 3.292 123.681 120.400 -0.020 0.000 2.393 620 D HA 0.146 4.784 4.640 -0.004 0.000 0.232 620 D C 0.968 177.223 176.300 -0.075 0.000 1.192 620 D CA -0.117 53.843 54.000 -0.066 0.000 0.882 620 D CB 0.621 41.358 40.800 -0.104 0.000 1.038 620 D HN 0.431 nan 8.370 nan 0.000 0.499 621 N N 2.722 121.380 118.700 -0.071 0.000 2.417 621 N HA -0.150 4.587 4.740 -0.004 0.000 0.187 621 N C 1.040 176.512 175.510 -0.063 0.000 1.027 621 N CA 0.892 53.895 53.050 -0.078 0.000 0.891 621 N CB 0.110 38.550 38.487 -0.079 0.000 0.956 621 N HN 0.500 nan 8.380 nan 0.000 0.442 622 K N -0.199 120.171 120.400 -0.050 0.000 2.361 622 K HA 0.142 4.460 4.320 -0.004 0.000 0.196 622 K C 0.153 176.758 176.600 0.008 0.000 1.039 622 K CA 0.450 56.724 56.287 -0.021 0.000 1.001 622 K CB 0.398 32.886 32.500 -0.021 0.000 0.795 622 K HN 0.053 nan 8.250 nan 0.000 0.495 623 R N 1.241 121.719 120.500 -0.038 0.000 2.835 623 R HA 0.340 4.678 4.340 -0.004 0.000 0.290 623 R C -0.956 175.335 176.300 -0.016 0.000 1.410 623 R CA -0.084 55.993 56.100 -0.038 0.000 1.590 623 R CB 0.542 30.633 30.300 -0.347 0.000 1.288 623 R HN -0.008 nan 8.270 nan 0.000 0.637 624 I N 1.047 121.707 120.570 0.150 0.000 2.362 624 I HA 0.555 4.723 4.170 -0.004 0.000 0.289 624 I C 0.142 176.531 176.117 0.453 0.000 0.994 624 I CA -0.751 60.670 61.300 0.201 0.000 1.158 624 I CB 1.741 39.705 38.000 -0.060 0.000 1.315 624 I HN 0.291 nan 8.210 nan 0.000 0.451 625 A N 7.273 130.468 122.820 0.626 0.000 2.344 625 A HA 0.929 5.247 4.320 -0.004 0.000 0.307 625 A C -0.965 176.982 177.584 0.605 0.000 1.151 625 A CA -0.665 51.719 52.037 0.580 0.000 0.842 625 A CB 2.047 21.260 19.000 0.357 0.000 1.350 625 A HN 0.737 nan 8.150 nan 0.000 0.459 626 I N 0.066 120.904 120.570 0.446 0.000 2.827 626 I HA 0.700 4.868 4.170 -0.004 0.000 0.298 626 I C -2.058 174.322 176.117 0.439 0.000 1.235 626 I CA -0.584 60.911 61.300 0.326 0.000 1.021 626 I CB 1.806 39.712 38.000 -0.156 0.000 1.259 626 I HN 0.952 nan 8.210 nan 0.000 0.427 627 W N 6.730 128.161 121.300 0.218 0.000 3.248 627 W HA 0.804 5.462 4.660 -0.004 0.000 0.311 627 W C -1.622 175.057 176.519 0.268 0.000 1.258 627 W CA -0.919 56.572 57.345 0.245 0.000 1.191 627 W CB 0.939 30.596 29.460 0.328 0.000 1.389 627 W HN 0.838 nan 8.180 nan 0.000 0.561 628 G N 1.120 109.870 108.800 -0.084 0.000 2.646 628 G HA2 0.502 4.460 3.960 -0.004 0.000 0.291 628 G HA3 0.502 4.460 3.960 -0.004 0.000 0.291 628 G C -2.748 172.134 174.900 -0.029 0.000 1.445 628 G CA -0.711 44.198 45.100 -0.318 0.000 0.814 628 G HN 0.610 nan 8.290 nan 0.000 0.495 629 W N 1.015 122.205 121.300 -0.184 0.000 2.666 629 W HA 0.610 5.267 4.660 -0.004 0.000 0.334 629 W C 0.789 177.373 176.519 0.109 0.000 1.051 629 W CA 0.390 57.717 57.345 -0.029 0.000 1.224 629 W CB 1.905 31.336 29.460 -0.047 0.000 1.405 629 W HN 1.211 nan 8.180 nan 0.000 0.513 630 S N 2.477 118.477 115.700 0.500 0.000 4.116 630 S HA -0.427 4.041 4.470 -0.004 0.000 0.623 630 S C 1.104 175.870 174.600 0.277 0.000 1.933 630 S CA 1.722 60.229 58.200 0.513 0.000 4.224 630 S CB -1.848 61.801 63.200 0.748 0.000 0.208 630 S HN 0.742 nan 8.310 nan 0.000 0.527 631 Y N 2.345 122.716 120.300 0.118 0.000 2.256 631 Y HA 0.027 4.575 4.550 -0.004 0.000 0.288 631 Y C 2.331 178.203 175.900 -0.046 0.000 1.155 631 Y CA 2.562 60.608 58.100 -0.090 0.000 1.203 631 Y CB -0.993 37.191 38.460 -0.461 0.000 0.980 631 Y HN 0.532 nan 8.280 nan 0.000 0.530 632 G N -1.103 107.800 108.800 0.171 0.000 2.443 632 G HA2 -0.185 3.773 3.960 -0.004 0.000 0.219 632 G HA3 -0.185 3.773 3.960 -0.004 0.000 0.219 632 G C 1.883 176.846 174.900 0.105 0.000 1.131 632 G CA 0.657 45.855 45.100 0.162 0.000 0.775 632 G HN 0.564 nan 8.290 nan 0.000 0.547 633 G N -0.183 108.689 108.800 0.119 0.000 2.403 633 G HA2 -0.190 3.768 3.960 -0.004 0.000 0.216 633 G HA3 -0.190 3.768 3.960 -0.004 0.000 0.216 633 G C 1.557 176.495 174.900 0.064 0.000 1.154 633 G CA 1.020 46.168 45.100 0.081 0.000 0.784 633 G HN 0.415 nan 8.290 nan 0.000 0.538 634 Y N 1.451 121.670 120.300 -0.135 0.000 2.133 634 Y HA -0.117 4.430 4.550 -0.004 0.000 0.287 634 Y C 2.768 178.583 175.900 -0.142 0.000 1.134 634 Y CA 1.655 59.620 58.100 -0.225 0.000 1.133 634 Y CB -0.540 37.636 38.460 -0.473 0.000 0.987 634 Y HN 0.015 nan 8.280 nan 0.000 0.502 635 V N -0.066 119.717 119.914 -0.218 0.000 2.332 635 V HA -0.361 3.757 4.120 -0.004 0.000 0.248 635 V C 2.348 178.325 176.094 -0.195 0.000 1.055 635 V CA 2.484 64.647 62.300 -0.229 0.000 1.038 635 V CB -1.292 30.552 31.823 0.036 0.000 0.651 635 V HN 0.515 nan 8.190 nan 0.000 0.450 636 T N -0.065 114.435 114.554 -0.090 0.000 2.684 636 T HA -0.210 4.138 4.350 -0.004 0.000 0.267 636 T C 2.133 176.773 174.700 -0.100 0.000 1.036 636 T CA 2.072 64.131 62.100 -0.068 0.000 1.148 636 T CB -0.296 68.615 68.868 0.073 0.000 0.863 636 T HN 0.549 nan 8.240 nan 0.000 0.436 637 S N 1.017 116.691 115.700 -0.044 0.000 2.368 637 S HA -0.031 4.437 4.470 -0.004 0.000 0.225 637 S C 2.136 176.644 174.600 -0.154 0.000 1.030 637 S CA 0.940 59.134 58.200 -0.009 0.000 0.999 637 S CB -0.279 62.969 63.200 0.080 0.000 0.844 637 S HN 0.313 nan 8.310 nan 0.000 0.459 638 M N 0.937 120.353 119.600 -0.307 0.000 2.117 638 M HA -0.023 4.455 4.480 -0.004 0.000 0.262 638 M C 2.240 178.373 176.300 -0.279 0.000 1.065 638 M CA 1.094 56.195 55.300 -0.331 0.000 1.114 638 M CB -1.458 30.839 32.600 -0.504 0.000 1.361 638 M HN 0.176 nan 8.290 nan 0.000 0.408 639 V N 0.632 120.375 119.914 -0.285 0.000 2.295 639 V HA -0.242 3.876 4.120 -0.004 0.000 0.246 639 V C 2.521 178.411 176.094 -0.340 0.000 1.049 639 V CA 1.400 63.528 62.300 -0.287 0.000 1.024 639 V CB -0.642 30.941 31.823 -0.400 0.000 0.648 639 V HN 0.403 nan 8.190 nan 0.000 0.447 640 L N 0.363 121.323 121.223 -0.438 0.000 2.191 640 L HA -0.067 4.271 4.340 -0.004 0.000 0.212 640 L C 2.188 178.508 176.870 -0.917 0.000 1.103 640 L CA 1.484 55.975 54.840 -0.582 0.000 0.769 640 L CB -0.668 41.026 42.059 -0.609 0.000 0.908 640 L HN 0.489 nan 8.230 nan 0.000 0.438 641 G N -1.518 106.738 108.800 -0.906 0.000 3.189 641 G HA2 -0.037 3.921 3.960 -0.004 0.000 0.225 641 G HA3 -0.037 3.921 3.960 -0.004 0.000 0.225 641 G C 1.479 176.201 174.900 -0.298 0.000 1.159 641 G CA 0.549 45.203 45.100 -0.743 0.000 0.763 641 G HN 0.421 nan 8.290 nan 0.000 0.549 642 S N -0.588 114.968 115.700 -0.239 0.000 2.461 642 S HA 0.280 4.748 4.470 -0.004 0.000 0.228 642 S C 1.978 176.530 174.600 -0.080 0.000 1.005 642 S CA 1.055 59.183 58.200 -0.120 0.000 0.942 642 S CB -0.144 63.007 63.200 -0.082 0.000 0.776 642 S HN 1.369 nan 8.310 nan 0.000 0.514 643 G N 1.326 110.069 108.800 -0.095 0.000 2.143 643 G HA2 -0.340 3.618 3.960 -0.004 0.000 0.248 643 G HA3 -0.340 3.618 3.960 -0.004 0.000 0.248 643 G C 0.966 175.854 174.900 -0.020 0.000 0.991 643 G CA 0.951 46.020 45.100 -0.052 0.000 0.689 643 G HN 1.292 nan 8.290 nan 0.000 0.522 644 S N -0.383 115.317 115.700 0.000 0.000 2.442 644 S HA 0.267 4.735 4.470 -0.004 0.000 0.236 644 S C 2.615 177.220 174.600 0.009 0.000 1.007 644 S CA 1.745 59.958 58.200 0.021 0.000 0.965 644 S CB -0.357 62.888 63.200 0.075 0.000 0.773 644 S HN 2.436 nan 8.310 nan 0.000 0.504 645 G N -0.070 108.741 108.800 0.018 0.000 2.189 645 G HA2 -0.305 3.653 3.960 -0.004 0.000 0.267 645 G HA3 -0.305 3.653 3.960 -0.004 0.000 0.267 645 G C 0.796 175.680 174.900 -0.027 0.000 0.975 645 G CA 0.502 45.603 45.100 0.003 0.000 0.644 645 G HN 0.725 nan 8.290 nan 0.000 0.537 646 V N -0.504 119.377 119.914 -0.055 0.000 2.488 646 V HA 0.244 4.361 4.120 -0.004 0.000 0.246 646 V C 1.297 177.132 176.094 -0.431 0.000 1.046 646 V CA 1.538 63.667 62.300 -0.285 0.000 1.053 646 V CB -0.364 31.176 31.823 -0.471 0.000 0.679 646 V HN 0.315 nan 8.190 nan 0.000 0.458 647 F N -0.107 119.861 119.950 0.030 0.000 2.422 647 F HA 0.388 4.913 4.527 -0.004 0.000 0.333 647 F C 1.141 176.989 175.800 0.081 0.000 1.095 647 F CA -0.467 57.578 58.000 0.075 0.000 1.038 647 F CB 1.375 40.423 39.000 0.080 0.000 1.156 647 F HN -0.251 nan 8.300 nan 0.000 0.483 648 K N 1.398 121.956 120.400 0.263 0.000 2.137 648 K HA 0.111 4.428 4.320 -0.004 0.000 0.202 648 K C -0.154 176.578 176.600 0.220 0.000 1.052 648 K CA 0.858 57.265 56.287 0.201 0.000 0.961 648 K CB 0.252 32.868 32.500 0.193 0.000 0.741 648 K HN 0.800 nan 8.250 nan 0.000 0.452 649 c N -2.707 116.062 118.600 0.282 0.000 3.321 649 c HA 0.891 5.459 4.570 -0.004 0.000 0.329 649 c C -0.247 174.073 174.090 0.383 0.000 1.394 649 c CA -0.642 55.876 56.329 0.316 0.000 1.291 649 c CB 1.101 43.730 42.510 0.199 0.000 1.606 649 c HN 0.330 nan 8.230 nan 0.000 0.463 650 G N -0.007 109.083 108.800 0.483 0.000 2.698 650 G HA2 0.736 4.693 3.960 -0.004 0.000 0.293 650 G HA3 0.736 4.693 3.960 -0.004 0.000 0.293 650 G C -1.988 173.167 174.900 0.425 0.000 1.437 650 G CA -0.700 44.661 45.100 0.434 0.000 0.852 650 G HN 0.997 nan 8.290 nan 0.000 0.499 651 I N 0.897 121.689 120.570 0.370 0.000 2.447 651 I HA 0.581 4.749 4.170 -0.004 0.000 0.287 651 I C 0.135 176.406 176.117 0.258 0.000 1.023 651 I CA -0.920 60.490 61.300 0.184 0.000 1.083 651 I CB 2.144 40.244 38.000 0.167 0.000 1.245 651 I HN 0.638 nan 8.210 nan 0.000 0.434 652 A N 6.668 129.535 122.820 0.078 0.000 2.303 652 A HA 0.793 5.111 4.320 -0.004 0.000 0.320 652 A C -0.713 176.813 177.584 -0.096 0.000 1.192 652 A CA -0.495 51.592 52.037 0.083 0.000 0.821 652 A CB 1.139 20.247 19.000 0.180 0.000 1.188 652 A HN 0.441 nan 8.150 nan 0.000 0.492 653 V N 2.011 121.827 119.914 -0.164 0.000 2.417 653 V HA 0.587 4.705 4.120 -0.004 0.000 0.291 653 V C 0.871 176.592 176.094 -0.620 0.000 1.024 653 V CA 0.263 62.247 62.300 -0.527 0.000 0.861 653 V CB 0.783 32.007 31.823 -0.999 0.000 0.985 653 V HN 2.124 nan 8.190 nan 0.000 0.436 654 A N 5.486 127.901 122.820 -0.677 0.000 2.466 654 A HA -0.100 4.218 4.320 -0.004 0.000 0.295 654 A C -1.791 175.621 177.584 -0.286 0.000 1.465 654 A CA 0.458 51.980 52.037 -0.858 0.000 0.744 654 A CB -1.527 17.155 19.000 -0.529 0.000 1.098 654 A HN 0.619 nan 8.150 nan 0.000 0.402 655 P HA 0.457 nan 4.420 nan 0.000 0.281 655 P C 0.161 177.430 177.300 -0.051 0.000 1.249 655 P CA -0.275 62.805 63.100 -0.033 0.000 0.810 655 P CB 1.455 33.163 31.700 0.014 0.000 1.008 656 V N 2.192 121.983 119.914 -0.204 0.000 2.775 656 V HA 0.099 4.217 4.120 -0.004 0.000 0.299 656 V C 1.700 177.612 176.094 -0.302 0.000 1.062 656 V CA 0.919 62.949 62.300 -0.449 0.000 1.063 656 V CB 0.869 32.027 31.823 -1.109 0.000 0.994 656 V HN 0.850 nan 8.190 nan 0.000 0.483 657 S N 3.329 118.873 115.700 -0.259 0.000 2.593 657 S HA 0.256 4.724 4.470 -0.004 0.000 0.235 657 S C 0.404 174.849 174.600 -0.259 0.000 1.059 657 S CA -0.355 57.767 58.200 -0.129 0.000 0.953 657 S CB 0.335 63.523 63.200 -0.021 0.000 0.897 657 S HN 0.853 nan 8.310 nan 0.000 0.507 658 R N -1.122 119.094 120.500 -0.473 0.000 2.536 658 R HA 0.457 4.795 4.340 -0.004 0.000 0.269 658 R C -0.919 175.046 176.300 -0.558 0.000 1.113 658 R CA -0.853 54.914 56.100 -0.555 0.000 0.948 658 R CB -0.254 29.666 30.300 -0.634 0.000 1.237 658 R HN 0.120 nan 8.270 nan 0.000 0.441 659 W N 1.550 122.762 121.300 -0.146 0.000 2.364 659 W HA -0.055 4.603 4.660 -0.004 0.000 0.281 659 W C 1.144 177.793 176.519 0.217 0.000 1.219 659 W CA 0.965 58.318 57.345 0.014 0.000 1.220 659 W CB 0.205 29.598 29.460 -0.113 0.000 1.127 659 W HN 0.728 nan 8.180 nan 0.000 0.556 660 E N -1.056 119.302 120.200 0.264 0.000 2.409 660 E HA -0.183 4.165 4.350 -0.004 0.000 0.198 660 E C 1.252 177.987 176.600 0.224 0.000 1.024 660 E CA 0.732 57.232 56.400 0.167 0.000 0.861 660 E CB -0.188 29.502 29.700 -0.018 0.000 0.788 660 E HN 0.372 nan 8.360 nan 0.000 0.521 661 Y N -1.513 118.873 120.300 0.144 0.000 2.517 661 Y HA 0.054 4.601 4.550 -0.003 0.000 0.281 661 Y C 0.693 176.690 175.900 0.161 0.000 1.125 661 Y CA -0.289 57.867 58.100 0.092 0.000 1.283 661 Y CB -0.364 38.094 38.460 -0.004 0.000 1.042 661 Y HN 0.012 nan 8.280 nan 0.000 0.547 662 Y N 2.160 122.612 120.300 0.253 0.000 2.326 662 Y HA 0.258 4.806 4.550 -0.004 0.000 0.324 662 Y C 0.391 176.515 175.900 0.373 0.000 1.291 662 Y CA -2.045 56.219 58.100 0.274 0.000 1.348 662 Y CB 0.300 38.962 38.460 0.338 0.000 1.294 662 Y HN 0.212 nan 8.280 nan 0.000 0.525 663 D N -0.383 119.746 120.400 -0.451 0.000 2.382 663 D HA 0.078 4.716 4.640 -0.004 0.000 0.240 663 D C 0.993 177.274 176.300 -0.032 0.000 1.146 663 D CA 0.413 54.236 54.000 -0.295 0.000 0.897 663 D CB 0.799 41.194 40.800 -0.675 0.000 1.197 663 D HN 0.487 nan 8.370 nan 0.000 0.432 664 S N 1.309 117.007 115.700 -0.004 0.000 2.351 664 S HA -0.255 4.213 4.470 -0.004 0.000 0.220 664 S C 1.964 176.591 174.600 0.045 0.000 1.035 664 S CA 1.348 59.591 58.200 0.072 0.000 1.031 664 S CB -1.156 62.094 63.200 0.084 0.000 0.928 664 S HN 0.453 nan 8.310 nan 0.000 0.433 665 V N 1.076 120.957 119.914 -0.056 0.000 2.252 665 V HA -0.222 3.896 4.120 -0.004 0.000 0.249 665 V C 2.340 178.343 176.094 -0.153 0.000 1.056 665 V CA 2.434 64.607 62.300 -0.211 0.000 1.022 665 V CB -1.211 30.335 31.823 -0.461 0.000 0.641 665 V HN 0.615 nan 8.190 nan 0.000 0.445 666 Y N 1.297 121.525 120.300 -0.120 0.000 2.153 666 Y HA -0.212 4.336 4.550 -0.003 0.000 0.289 666 Y C 2.737 178.633 175.900 -0.007 0.000 1.127 666 Y CA 2.287 60.391 58.100 0.007 0.000 1.131 666 Y CB -0.672 37.970 38.460 0.304 0.000 0.995 666 Y HN 0.228 nan 8.280 nan 0.000 0.505 667 T N 0.492 115.261 114.554 0.359 0.000 2.652 667 T HA -0.227 4.121 4.350 -0.004 0.000 0.267 667 T C 1.568 176.231 174.700 -0.063 0.000 1.039 667 T CA 2.018 64.255 62.100 0.230 0.000 1.153 667 T CB -0.392 68.763 68.868 0.479 0.000 0.863 667 T HN 0.444 nan 8.240 nan 0.000 0.428 668 E N 0.478 120.679 120.200 0.002 0.000 2.265 668 E HA -0.118 4.229 4.350 -0.004 0.000 0.196 668 E C 2.336 178.808 176.600 -0.214 0.000 0.996 668 E CA 0.518 56.910 56.400 -0.014 0.000 0.832 668 E CB -0.131 29.610 29.700 0.069 0.000 0.756 668 E HN 0.332 nan 8.360 nan 0.000 0.491 669 R N -0.038 120.162 120.500 -0.500 0.000 2.105 669 R HA -0.182 4.156 4.340 -0.004 0.000 0.239 669 R C 1.271 177.018 176.300 -0.922 0.000 1.135 669 R CA 1.550 57.166 56.100 -0.807 0.000 0.967 669 R CB 0.025 29.513 30.300 -1.353 0.000 0.861 669 R HN 0.230 nan 8.270 nan 0.000 0.442 670 Y N -2.187 117.795 120.300 -0.530 0.000 2.524 670 Y HA 0.203 4.750 4.550 -0.004 0.000 0.270 670 Y C 1.731 177.451 175.900 -0.301 0.000 1.094 670 Y CA 0.100 57.897 58.100 -0.504 0.000 1.276 670 Y CB 0.321 38.354 38.460 -0.712 0.000 1.130 670 Y HN -0.047 nan 8.280 nan 0.000 0.536 671 M N -0.266 119.211 119.600 -0.205 0.000 2.382 671 M HA 0.349 4.827 4.480 -0.004 0.000 0.247 671 M C 1.093 177.397 176.300 0.006 0.000 1.104 671 M CA 0.784 55.961 55.300 -0.205 0.000 1.030 671 M CB -0.561 31.699 32.600 -0.567 0.000 1.424 671 M HN 0.353 nan 8.290 nan 0.000 0.486 672 G N 1.870 110.694 108.800 0.040 0.000 2.645 672 G HA2 -0.251 3.707 3.960 -0.004 0.000 0.246 672 G HA3 -0.251 3.707 3.960 -0.004 0.000 0.246 672 G C -0.495 174.546 174.900 0.236 0.000 1.322 672 G CA -0.729 44.438 45.100 0.111 0.000 0.898 672 G HN 0.364 nan 8.290 nan 0.000 0.573 673 L N 2.056 123.388 121.223 0.181 0.000 2.334 673 L HA 0.416 4.754 4.340 -0.004 0.000 0.277 673 L C -1.328 175.561 176.870 0.032 0.000 1.075 673 L CA -1.742 53.164 54.840 0.110 0.000 0.804 673 L CB 1.872 43.953 42.059 0.037 0.000 1.174 673 L HN 0.464 nan 8.230 nan 0.000 0.438 674 P HA 0.045 nan 4.420 nan 0.000 0.228 674 P C -0.442 176.710 177.300 -0.247 0.000 1.748 674 P CA -0.081 62.602 63.100 -0.694 0.000 0.909 674 P CB -0.483 30.444 31.700 -1.287 0.000 1.882 675 T N -3.067 111.434 114.554 -0.087 0.000 2.932 675 T HA 0.454 4.802 4.350 -0.004 0.000 0.289 675 T C -1.942 172.759 174.700 0.002 0.000 1.039 675 T CA -2.394 59.682 62.100 -0.041 0.000 1.024 675 T CB 1.960 70.813 68.868 -0.024 0.000 1.090 675 T HN -0.207 nan 8.240 nan 0.000 0.496 676 P HA -0.068 nan 4.420 nan 0.000 0.218 676 P C 0.689 178.003 177.300 0.025 0.000 1.149 676 P CA 1.163 64.275 63.100 0.019 0.000 0.817 676 P CB 0.121 31.828 31.700 0.012 0.000 0.785 677 E N -0.939 119.272 120.200 0.018 0.000 2.482 677 E HA -0.050 4.298 4.350 -0.004 0.000 0.196 677 E C 1.338 177.955 176.600 0.028 0.000 1.047 677 E CA 0.579 56.991 56.400 0.019 0.000 0.869 677 E CB -0.273 29.433 29.700 0.010 0.000 0.836 677 E HN 0.323 nan 8.360 nan 0.000 0.520 678 D N -0.726 119.699 120.400 0.041 0.000 3.112 678 D HA 0.077 4.715 4.640 -0.004 0.000 0.212 678 D C 0.217 176.573 176.300 0.094 0.000 1.376 678 D CA 0.025 54.061 54.000 0.060 0.000 1.411 678 D CB 0.028 40.867 40.800 0.064 0.000 0.965 678 D HN -0.059 nan 8.370 nan 0.000 0.192 679 N N 0.084 118.875 118.700 0.151 0.000 2.299 679 N HA 0.088 4.826 4.740 -0.004 0.000 0.246 679 N C 1.141 176.846 175.510 0.324 0.000 1.254 679 N CA -0.102 53.083 53.050 0.226 0.000 0.879 679 N CB 0.231 38.869 38.487 0.252 0.000 1.214 679 N HN 0.114 nan 8.380 nan 0.000 0.510 680 L N 0.637 121.978 121.223 0.196 0.000 2.051 680 L HA -0.163 4.175 4.340 -0.004 0.000 0.214 680 L C 1.262 178.241 176.870 0.182 0.000 1.076 680 L CA 2.013 56.941 54.840 0.148 0.000 0.758 680 L CB -0.468 41.610 42.059 0.032 0.000 0.890 680 L HN 0.148 nan 8.230 nan 0.000 0.433 681 D N -1.518 118.969 120.400 0.145 0.000 2.123 681 D HA -0.257 4.380 4.640 -0.004 0.000 0.196 681 D C 2.047 178.439 176.300 0.153 0.000 0.992 681 D CA 1.754 55.828 54.000 0.124 0.000 0.833 681 D CB -0.165 40.695 40.800 0.101 0.000 0.954 681 D HN 0.598 nan 8.370 nan 0.000 0.455 682 H N -0.745 118.390 119.070 0.108 0.000 2.428 682 H HA -0.061 4.493 4.556 -0.004 0.000 0.296 682 H C 1.726 177.118 175.328 0.107 0.000 1.062 682 H CA 1.172 57.261 56.048 0.069 0.000 1.350 682 H CB -0.317 29.448 29.762 0.005 0.000 1.403 682 H HN 0.134 nan 8.280 nan 0.000 0.533 683 Y N 0.388 120.661 120.300 -0.046 0.000 2.128 683 Y HA -0.196 4.352 4.550 -0.004 0.000 0.284 683 Y C 2.377 178.234 175.900 -0.073 0.000 1.154 683 Y CA 1.589 59.668 58.100 -0.035 0.000 1.149 683 Y CB 0.112 38.590 38.460 0.031 0.000 0.976 683 Y HN 0.121 nan 8.280 nan 0.000 0.505 684 R N -0.307 120.265 120.500 0.119 0.000 2.189 684 R HA -0.088 4.250 4.340 -0.004 0.000 0.218 684 R C 1.494 177.791 176.300 -0.006 0.000 1.074 684 R CA 0.840 56.964 56.100 0.040 0.000 0.991 684 R CB -0.935 29.388 30.300 0.040 0.000 0.883 684 R HN 0.509 nan 8.270 nan 0.000 0.457 685 N N 0.652 119.330 118.700 -0.037 0.000 2.422 685 N HA -0.056 4.681 4.740 -0.004 0.000 0.181 685 N C 0.092 175.555 175.510 -0.077 0.000 1.080 685 N CA 0.318 53.347 53.050 -0.036 0.000 0.893 685 N CB 0.361 38.861 38.487 0.022 0.000 0.973 685 N HN 0.077 nan 8.380 nan 0.000 0.456 686 S N -0.149 115.455 115.700 -0.160 0.000 2.561 686 S HA 0.073 4.541 4.470 -0.004 0.000 0.245 686 S C 0.376 175.020 174.600 0.073 0.000 1.001 686 S CA -0.792 57.372 58.200 -0.060 0.000 1.002 686 S CB -0.059 63.034 63.200 -0.178 0.000 0.805 686 S HN 0.161 nan 8.310 nan 0.000 0.458 687 T N -1.701 112.855 114.554 0.003 0.000 2.922 687 T HA 0.535 4.883 4.350 -0.004 0.000 0.285 687 T C 1.320 176.016 174.700 -0.008 0.000 1.005 687 T CA -0.654 61.436 62.100 -0.017 0.000 1.061 687 T CB 1.377 70.200 68.868 -0.075 0.000 1.007 687 T HN -0.041 nan 8.240 nan 0.000 0.502 688 V N 1.929 121.835 119.914 -0.014 0.000 2.307 688 V HA -0.140 3.978 4.120 -0.004 0.000 0.245 688 V C 2.677 178.745 176.094 -0.044 0.000 1.045 688 V CA 1.754 64.036 62.300 -0.029 0.000 1.024 688 V CB -0.970 30.829 31.823 -0.041 0.000 0.651 688 V HN 0.832 nan 8.190 nan 0.000 0.449 689 M N 1.365 120.920 119.600 -0.073 0.000 2.143 689 M HA -0.191 4.287 4.480 -0.004 0.000 0.258 689 M C 2.265 178.537 176.300 -0.047 0.000 1.071 689 M CA 2.238 57.488 55.300 -0.084 0.000 1.088 689 M CB -1.142 31.419 32.600 -0.063 0.000 1.360 689 M HN 0.548 nan 8.290 nan 0.000 0.404 690 S N -0.645 115.040 115.700 -0.025 0.000 2.547 690 S HA -0.055 4.413 4.470 -0.004 0.000 0.235 690 S C 1.661 176.268 174.600 0.012 0.000 0.980 690 S CA 0.632 58.828 58.200 -0.008 0.000 0.941 690 S CB -0.356 62.840 63.200 -0.007 0.000 0.763 690 S HN 0.541 nan 8.310 nan 0.000 0.532 691 R N 0.073 120.596 120.500 0.038 0.000 2.509 691 R HA 0.499 4.837 4.340 -0.004 0.000 0.300 691 R C 2.028 178.445 176.300 0.194 0.000 0.985 691 R CA 0.441 56.593 56.100 0.086 0.000 1.092 691 R CB -0.089 30.255 30.300 0.073 0.000 1.237 691 R HN 0.417 nan 8.270 nan 0.000 0.546 692 A N 1.373 124.248 122.820 0.091 0.000 1.927 692 A HA -0.296 4.022 4.320 -0.004 0.000 0.220 692 A C 2.025 179.694 177.584 0.142 0.000 1.185 692 A CA 2.020 54.076 52.037 0.031 0.000 0.639 692 A CB -0.253 18.692 19.000 -0.092 0.000 0.820 692 A HN 0.285 nan 8.150 nan 0.000 0.451 693 E N 0.696 120.954 120.200 0.097 0.000 2.085 693 E HA -0.187 4.161 4.350 -0.004 0.000 0.194 693 E C 1.607 178.270 176.600 0.105 0.000 0.994 693 E CA 1.713 58.163 56.400 0.084 0.000 0.801 693 E CB -0.320 29.410 29.700 0.050 0.000 0.743 693 E HN 0.591 nan 8.360 nan 0.000 0.453 694 N N -0.408 118.349 118.700 0.095 0.000 2.443 694 N HA -0.117 4.621 4.740 -0.004 0.000 0.184 694 N C 0.992 176.491 175.510 -0.018 0.000 1.037 694 N CA 0.575 53.633 53.050 0.013 0.000 0.896 694 N CB -0.315 38.130 38.487 -0.068 0.000 0.959 694 N HN 0.252 nan 8.380 nan 0.000 0.442 695 F N 1.188 121.096 119.950 -0.069 0.000 2.699 695 F HA 0.032 4.557 4.527 -0.004 0.000 0.298 695 F C 1.884 177.690 175.800 0.009 0.000 1.154 695 F CA 0.512 58.467 58.000 -0.074 0.000 1.457 695 F CB 0.100 39.007 39.000 -0.154 0.000 1.106 695 F HN -0.037 nan 8.300 nan 0.000 0.585 696 K N 0.015 120.516 120.400 0.169 0.000 2.283 696 K HA -0.163 4.155 4.320 -0.004 0.000 0.202 696 K C 1.546 178.207 176.600 0.103 0.000 1.048 696 K CA 0.944 57.312 56.287 0.134 0.000 0.948 696 K CB -0.158 32.401 32.500 0.098 0.000 0.742 696 K HN 0.412 nan 8.250 nan 0.000 0.458 697 Q N 0.346 120.185 119.800 0.065 0.000 2.444 697 Q HA 0.011 4.349 4.340 -0.004 0.000 0.206 697 Q C 0.350 176.388 176.000 0.064 0.000 0.948 697 Q CA 0.146 55.977 55.803 0.047 0.000 0.946 697 Q CB 0.510 29.255 28.738 0.011 0.000 1.027 697 Q HN 0.140 nan 8.270 nan 0.000 0.513 698 V N -3.687 116.282 119.914 0.092 0.000 3.160 698 V HA 0.471 4.589 4.120 -0.004 0.000 0.310 698 V C -1.309 174.928 176.094 0.239 0.000 1.181 698 V CA -1.306 61.077 62.300 0.137 0.000 1.047 698 V CB 2.323 34.194 31.823 0.079 0.000 1.068 698 V HN -0.073 nan 8.190 nan 0.000 0.441 699 E N 1.193 121.568 120.200 0.292 0.000 2.134 699 E HA 0.478 4.825 4.350 -0.004 0.000 0.278 699 E C -1.928 175.043 176.600 0.619 0.000 0.959 699 E CA -0.383 56.266 56.400 0.416 0.000 0.783 699 E CB 1.817 31.709 29.700 0.321 0.000 1.095 699 E HN 0.676 nan 8.360 nan 0.000 0.399 700 Y N 3.458 124.013 120.300 0.425 0.000 2.409 700 Y HA 0.468 5.016 4.550 -0.003 0.000 0.343 700 Y C -1.686 174.280 175.900 0.110 0.000 0.973 700 Y CA -1.472 56.814 58.100 0.311 0.000 1.064 700 Y CB 1.097 39.779 38.460 0.371 0.000 1.207 700 Y HN 0.413 nan 8.280 nan 0.000 0.452 701 L N 7.633 128.578 121.223 -0.464 0.000 2.349 701 L HA 0.624 4.962 4.340 -0.004 0.000 0.278 701 L C -2.227 174.204 176.870 -0.732 0.000 0.996 701 L CA -0.824 53.599 54.840 -0.696 0.000 0.825 701 L CB 1.370 42.710 42.059 -1.199 0.000 1.243 701 L HN 0.648 nan 8.230 nan 0.000 0.412 702 L N 6.586 127.462 121.223 -0.578 0.000 2.313 702 L HA 0.724 5.061 4.340 -0.004 0.000 0.283 702 L C -1.198 175.543 176.870 -0.214 0.000 1.013 702 L CA -0.061 54.487 54.840 -0.487 0.000 0.816 702 L CB 1.297 43.085 42.059 -0.451 0.000 1.236 702 L HN 0.601 nan 8.230 nan 0.000 0.419 703 I N 4.416 124.875 120.570 -0.184 0.000 2.582 703 I HA 0.457 4.625 4.170 -0.004 0.000 0.292 703 I C -1.235 174.856 176.117 -0.043 0.000 1.066 703 I CA -0.688 60.554 61.300 -0.096 0.000 1.053 703 I CB 2.117 40.027 38.000 -0.151 0.000 1.241 703 I HN 0.685 nan 8.210 nan 0.000 0.421 704 H N 2.203 121.306 119.070 0.055 0.000 3.085 704 H HA 0.497 5.051 4.556 -0.004 0.000 0.356 704 H C -0.359 175.182 175.328 0.354 0.000 1.178 704 H CA -0.600 55.524 56.048 0.127 0.000 1.214 704 H CB 2.107 31.872 29.762 0.005 0.000 1.881 704 H HN 0.752 nan 8.280 nan 0.000 0.538 705 G N 0.944 110.080 108.800 0.559 0.000 2.390 705 G HA2 0.198 4.156 3.960 -0.004 0.000 0.270 705 G HA3 0.198 4.156 3.960 -0.004 0.000 0.270 705 G C 1.153 176.335 174.900 0.470 0.000 1.211 705 G CA 0.133 45.523 45.100 0.484 0.000 0.842 705 G HN 0.757 nan 8.290 nan 0.000 0.519 706 T N -0.515 114.189 114.554 0.249 0.000 2.962 706 T HA 0.027 4.374 4.350 -0.004 0.000 0.270 706 T C 1.758 176.452 174.700 -0.009 0.000 1.088 706 T CA 1.338 63.416 62.100 -0.036 0.000 1.127 706 T CB 0.115 68.871 68.868 -0.188 0.000 0.883 706 T HN 0.677 nan 8.240 nan 0.000 0.493 707 A N 1.008 123.890 122.820 0.103 0.000 2.577 707 A HA 0.291 4.609 4.320 -0.004 0.000 0.280 707 A C 0.470 178.029 177.584 -0.041 0.000 1.331 707 A CA -0.489 51.583 52.037 0.058 0.000 0.935 707 A CB -0.329 18.951 19.000 0.466 0.000 1.082 707 A HN 0.391 nan 8.150 nan 0.000 0.525 708 D N 1.546 121.944 120.400 -0.004 0.000 2.342 708 D HA -0.013 4.625 4.640 -0.004 0.000 0.260 708 D C 0.351 176.622 176.300 -0.049 0.000 1.278 708 D CA 0.168 54.258 54.000 0.150 0.000 0.910 708 D CB 0.647 41.682 40.800 0.392 0.000 1.079 708 D HN 0.581 nan 8.370 nan 0.000 0.496 709 D N 2.329 122.763 120.400 0.056 0.000 2.348 709 D HA -0.132 4.506 4.640 -0.004 0.000 0.211 709 D C 0.953 177.259 176.300 0.009 0.000 0.998 709 D CA -0.105 53.892 54.000 -0.005 0.000 0.873 709 D CB 0.449 41.214 40.800 -0.058 0.000 0.925 709 D HN 0.224 nan 8.370 nan 0.000 0.524 710 N N 0.872 119.666 118.700 0.157 0.000 2.324 710 N HA -0.048 4.690 4.740 -0.004 0.000 0.192 710 N C -0.034 175.420 175.510 -0.093 0.000 1.046 710 N CA 0.519 53.698 53.050 0.216 0.000 0.898 710 N CB 0.477 39.110 38.487 0.244 0.000 1.079 710 N HN -0.095 nan 8.380 nan 0.000 0.456 711 V N 3.944 123.781 119.914 -0.128 0.000 2.304 711 V HA 0.196 4.314 4.120 -0.004 0.000 0.269 711 V C -0.653 175.451 176.094 0.016 0.000 1.036 711 V CA -0.693 61.556 62.300 -0.084 0.000 0.840 711 V CB 0.168 31.970 31.823 -0.034 0.000 1.036 711 V HN 0.305 nan 8.190 nan 0.000 0.466 712 H N 3.631 122.661 119.070 -0.066 0.000 2.897 712 H HA -0.001 4.553 4.556 -0.004 0.000 0.347 712 H C 0.891 176.046 175.328 -0.288 0.000 1.068 712 H CA -0.232 55.699 56.048 -0.196 0.000 1.426 712 H CB 0.508 30.080 29.762 -0.317 0.000 1.410 712 H HN 0.634 nan 8.280 nan 0.000 0.597 713 F N 2.100 121.823 119.950 -0.378 0.000 2.225 713 F HA -0.294 4.231 4.527 -0.003 0.000 0.302 713 F C 2.548 178.062 175.800 -0.477 0.000 1.068 713 F CA 1.875 59.453 58.000 -0.704 0.000 1.327 713 F CB -0.057 38.723 39.000 -0.367 0.000 1.043 713 F HN 0.660 nan 8.300 nan 0.000 0.506 714 Q N 0.189 119.848 119.800 -0.235 0.000 2.133 714 Q HA -0.315 4.023 4.340 -0.004 0.000 0.208 714 Q C 2.074 177.832 176.000 -0.404 0.000 0.991 714 Q CA 2.299 57.920 55.803 -0.304 0.000 0.867 714 Q CB -0.360 28.165 28.738 -0.355 0.000 0.911 714 Q HN 0.599 nan 8.270 nan 0.000 0.417 715 Q N -0.357 119.240 119.800 -0.338 0.000 2.096 715 Q HA -0.119 4.218 4.340 -0.004 0.000 0.204 715 Q C 2.247 178.141 176.000 -0.176 0.000 0.982 715 Q CA 1.709 57.433 55.803 -0.131 0.000 0.850 715 Q CB -0.087 28.657 28.738 0.009 0.000 0.901 715 Q HN 0.323 nan 8.270 nan 0.000 0.422 716 S N 0.458 115.935 115.700 -0.373 0.000 2.436 716 S HA 0.014 4.482 4.470 -0.004 0.000 0.228 716 S C 1.992 176.340 174.600 -0.420 0.000 1.014 716 S CA 0.638 58.628 58.200 -0.350 0.000 0.950 716 S CB -0.036 62.949 63.200 -0.358 0.000 0.784 716 S HN 0.454 nan 8.310 nan 0.000 0.504 717 A N 1.389 123.876 122.820 -0.556 0.000 1.933 717 A HA -0.138 4.180 4.320 -0.004 0.000 0.218 717 A C 2.110 179.599 177.584 -0.157 0.000 1.175 717 A CA 1.172 53.030 52.037 -0.299 0.000 0.628 717 A CB -0.411 18.489 19.000 -0.167 0.000 0.814 717 A HN 0.364 nan 8.150 nan 0.000 0.444 718 Q N -0.599 119.115 119.800 -0.143 0.000 2.230 718 Q HA 0.017 4.355 4.340 -0.004 0.000 0.202 718 Q C 2.078 178.028 176.000 -0.084 0.000 0.963 718 Q CA 0.909 56.679 55.803 -0.055 0.000 0.866 718 Q CB -0.263 28.518 28.738 0.072 0.000 0.931 718 Q HN 0.783 nan 8.270 nan 0.000 0.452 719 I N 0.981 121.472 120.570 -0.132 0.000 2.163 719 I HA -0.264 3.904 4.170 -0.004 0.000 0.240 719 I C 2.546 178.498 176.117 -0.275 0.000 1.081 719 I CA 1.367 62.544 61.300 -0.204 0.000 1.353 719 I CB -0.366 37.516 38.000 -0.196 0.000 1.054 719 I HN 0.176 nan 8.210 nan 0.000 0.407 720 S N 0.943 116.507 115.700 -0.227 0.000 2.370 720 S HA -0.298 4.169 4.470 -0.004 0.000 0.226 720 S C 2.044 176.613 174.600 -0.053 0.000 1.033 720 S CA 1.613 59.715 58.200 -0.163 0.000 1.011 720 S CB -0.482 62.776 63.200 0.096 0.000 0.852 720 S HN 0.365 nan 8.310 nan 0.000 0.457 721 K N 1.704 122.079 120.400 -0.042 0.000 2.057 721 K HA 0.025 4.342 4.320 -0.004 0.000 0.207 721 K C 2.290 178.869 176.600 -0.035 0.000 1.049 721 K CA 1.188 57.468 56.287 -0.012 0.000 0.931 721 K CB -0.712 31.780 32.500 -0.013 0.000 0.714 721 K HN 0.458 nan 8.250 nan 0.000 0.440 722 A N 0.961 123.730 122.820 -0.085 0.000 1.933 722 A HA -0.100 4.218 4.320 -0.004 0.000 0.218 722 A C 2.078 179.595 177.584 -0.112 0.000 1.175 722 A CA 1.287 53.268 52.037 -0.094 0.000 0.628 722 A CB -0.552 18.374 19.000 -0.124 0.000 0.814 722 A HN 0.320 nan 8.150 nan 0.000 0.444 723 L N -0.707 120.402 121.223 -0.190 0.000 2.056 723 L HA -0.127 4.211 4.340 -0.004 0.000 0.207 723 L C 2.501 179.384 176.870 0.022 0.000 1.078 723 L CA 0.888 55.623 54.840 -0.174 0.000 0.749 723 L CB -0.605 41.181 42.059 -0.455 0.000 0.901 723 L HN 0.227 nan 8.230 nan 0.000 0.433 724 V N -0.097 119.866 119.914 0.082 0.000 2.343 724 V HA -0.296 3.822 4.120 -0.004 0.000 0.247 724 V C 2.011 178.143 176.094 0.063 0.000 1.051 724 V CA 1.937 64.309 62.300 0.121 0.000 1.036 724 V CB -0.538 31.355 31.823 0.117 0.000 0.654 724 V HN 0.414 nan 8.190 nan 0.000 0.451 725 D N 0.236 120.654 120.400 0.031 0.000 2.218 725 D HA -0.111 4.527 4.640 -0.004 0.000 0.204 725 D C 1.718 178.032 176.300 0.023 0.000 0.976 725 D CA 1.610 55.623 54.000 0.021 0.000 0.853 725 D CB -0.104 40.700 40.800 0.007 0.000 0.939 725 D HN 0.558 nan 8.370 nan 0.000 0.481 726 V N -4.037 115.892 119.914 0.024 0.000 3.483 726 V HA 0.513 4.630 4.120 -0.004 0.000 0.301 726 V C 1.227 177.350 176.094 0.049 0.000 1.389 726 V CA 0.218 62.536 62.300 0.031 0.000 1.101 726 V CB -0.062 31.776 31.823 0.025 0.000 0.971 726 V HN 0.138 nan 8.190 nan 0.000 0.434 727 G N 0.486 109.323 108.800 0.062 0.000 2.225 727 G HA2 -0.182 3.776 3.960 -0.004 0.000 0.264 727 G HA3 -0.182 3.776 3.960 -0.004 0.000 0.264 727 G C -0.103 174.859 174.900 0.105 0.000 1.060 727 G CA 0.180 45.326 45.100 0.077 0.000 0.833 727 G HN 0.827 nan 8.290 nan 0.000 0.498 728 V N 0.435 120.430 119.914 0.136 0.000 2.394 728 V HA 0.489 4.607 4.120 -0.004 0.000 0.282 728 V C 0.408 176.688 176.094 0.311 0.000 1.031 728 V CA -0.516 61.898 62.300 0.190 0.000 0.881 728 V CB 1.759 33.678 31.823 0.160 0.000 0.982 728 V HN 0.430 nan 8.190 nan 0.000 0.451 729 D N 3.917 124.478 120.400 0.267 0.000 2.264 729 D HA 0.643 5.281 4.640 -0.004 0.000 0.249 729 D C -0.648 175.893 176.300 0.402 0.000 1.070 729 D CA 0.142 54.287 54.000 0.241 0.000 0.912 729 D CB 0.928 41.803 40.800 0.124 0.000 1.193 729 D HN 0.361 nan 8.370 nan 0.000 0.427 730 F N -0.415 119.608 119.950 0.122 0.000 2.807 730 F HA 0.422 4.947 4.527 -0.004 0.000 0.316 730 F C -1.576 174.271 175.800 0.077 0.000 1.162 730 F CA -1.162 56.929 58.000 0.152 0.000 0.910 730 F CB 0.626 39.750 39.000 0.207 0.000 1.314 730 F HN 0.073 nan 8.300 nan 0.000 0.454 731 Q N 1.481 121.321 119.800 0.067 0.000 2.222 731 Q HA 0.828 5.166 4.340 -0.004 0.000 0.252 731 Q C -0.715 175.245 176.000 -0.068 0.000 0.926 731 Q CA -0.615 55.137 55.803 -0.086 0.000 0.899 731 Q CB 1.968 30.694 28.738 -0.020 0.000 1.250 731 Q HN 1.057 nan 8.270 nan 0.000 0.441 732 A N 1.637 124.388 122.820 -0.114 0.000 2.556 732 A HA 0.842 5.160 4.320 -0.004 0.000 0.294 732 A C -1.352 176.151 177.584 -0.135 0.000 1.091 732 A CA -0.581 51.430 52.037 -0.044 0.000 0.704 732 A CB 1.941 20.983 19.000 0.070 0.000 1.300 732 A HN 0.605 nan 8.150 nan 0.000 0.406 733 M N 1.441 120.949 119.600 -0.153 0.000 2.255 733 M HA 0.585 5.063 4.480 -0.004 0.000 0.275 733 M C -2.002 174.150 176.300 -0.246 0.000 1.050 733 M CA -0.599 54.464 55.300 -0.394 0.000 0.978 733 M CB 1.179 33.442 32.600 -0.561 0.000 1.761 733 M HN 0.930 nan 8.290 nan 0.000 0.479 734 W N 4.328 125.452 121.300 -0.293 0.000 2.578 734 W HA 0.776 5.434 4.660 -0.004 0.000 0.346 734 W C -2.029 174.209 176.519 -0.468 0.000 1.075 734 W CA -0.872 56.387 57.345 -0.143 0.000 1.233 734 W CB 0.410 29.836 29.460 -0.057 0.000 1.358 734 W HN 0.605 nan 8.180 nan 0.000 0.574 735 Y N 2.379 122.822 120.300 0.238 0.000 2.447 735 Y HA 0.296 4.844 4.550 -0.004 0.000 0.325 735 Y C 0.518 176.539 175.900 0.201 0.000 0.976 735 Y CA -1.180 56.980 58.100 0.100 0.000 1.280 735 Y CB 1.210 39.693 38.460 0.038 0.000 1.104 735 Y HN 0.441 nan 8.280 nan 0.000 0.486 736 T N 4.632 119.371 114.554 0.308 0.000 2.822 736 T HA -0.053 4.295 4.350 -0.004 0.000 0.288 736 T C 0.224 175.003 174.700 0.131 0.000 0.991 736 T CA 0.825 63.038 62.100 0.188 0.000 1.176 736 T CB -0.165 68.753 68.868 0.084 0.000 0.951 736 T HN 0.694 nan 8.240 nan 0.000 0.526 737 D N 0.905 121.356 120.400 0.085 0.000 3.077 737 D HA -0.125 4.513 4.640 -0.004 0.000 0.217 737 D C 0.314 176.750 176.300 0.226 0.000 1.162 737 D CA 1.169 55.168 54.000 -0.003 0.000 0.943 737 D CB -0.356 40.247 40.800 -0.329 0.000 1.122 737 D HN 0.552 nan 8.370 nan 0.000 0.413 738 E N 0.691 121.044 120.200 0.255 0.000 2.283 738 E HA 0.367 4.715 4.350 -0.004 0.000 0.271 738 E C 0.723 177.512 176.600 0.316 0.000 1.031 738 E CA -0.343 56.225 56.400 0.281 0.000 0.868 738 E CB 1.281 31.137 29.700 0.261 0.000 1.094 738 E HN 0.322 nan 8.360 nan 0.000 0.401 739 D N -0.720 119.877 120.400 0.329 0.000 2.570 739 D HA 0.014 4.652 4.640 -0.004 0.000 0.266 739 D C 1.043 177.583 176.300 0.401 0.000 1.182 739 D CA -0.250 53.969 54.000 0.365 0.000 1.088 739 D CB -0.225 40.815 40.800 0.399 0.000 1.186 739 D HN 0.387 nan 8.370 nan 0.000 0.618 740 H N -1.518 117.745 119.070 0.322 0.000 2.489 740 H HA 0.078 4.631 4.556 -0.004 0.000 0.295 740 H C 1.819 177.430 175.328 0.471 0.000 1.082 740 H CA 2.067 58.330 56.048 0.357 0.000 1.295 740 H CB -0.363 29.595 29.762 0.328 0.000 1.380 740 H HN 0.496 nan 8.280 nan 0.000 0.548 741 G N -0.410 108.595 108.800 0.341 0.000 2.683 741 G HA2 0.024 3.982 3.960 -0.004 0.000 0.213 741 G HA3 0.024 3.982 3.960 -0.004 0.000 0.213 741 G C 0.688 175.814 174.900 0.378 0.000 1.142 741 G CA 0.254 45.500 45.100 0.243 0.000 0.793 741 G HN 0.505 nan 8.290 nan 0.000 0.534 742 I N 0.226 121.014 120.570 0.363 0.000 5.158 742 I HA -0.334 3.834 4.170 -0.004 0.000 0.126 742 I C 1.568 177.833 176.117 0.246 0.000 1.344 742 I CA 0.197 61.653 61.300 0.259 0.000 2.637 742 I CB -1.223 36.891 38.000 0.190 0.000 2.338 742 I HN 0.268 nan 8.210 nan 0.000 0.320 743 A N 1.117 124.053 122.820 0.193 0.000 2.348 743 A HA 0.249 4.567 4.320 -0.004 0.000 0.224 743 A C 1.204 178.845 177.584 0.095 0.000 1.227 743 A CA 0.564 52.678 52.037 0.128 0.000 0.885 743 A CB 0.119 19.159 19.000 0.067 0.000 0.933 743 A HN 0.653 nan 8.150 nan 0.000 0.506 744 S N -0.195 115.575 115.700 0.117 0.000 2.568 744 S HA 0.136 4.604 4.470 -0.004 0.000 0.282 744 S C 1.247 175.906 174.600 0.097 0.000 1.338 744 S CA 0.381 58.641 58.200 0.100 0.000 1.045 744 S CB 1.046 64.312 63.200 0.111 0.000 0.873 744 S HN 0.567 nan 8.310 nan 0.000 0.516 745 S N 2.561 118.303 115.700 0.071 0.000 2.368 745 S HA -0.210 4.258 4.470 -0.004 0.000 0.226 745 S C 2.106 176.769 174.600 0.104 0.000 1.044 745 S CA 2.466 60.710 58.200 0.073 0.000 1.062 745 S CB -1.667 61.557 63.200 0.041 0.000 0.931 745 S HN 1.089 nan 8.310 nan 0.000 0.440 746 T N -0.246 114.359 114.554 0.085 0.000 2.777 746 T HA 0.147 4.494 4.350 -0.004 0.000 0.266 746 T C 1.995 176.752 174.700 0.096 0.000 1.040 746 T CA 1.403 63.556 62.100 0.087 0.000 1.141 746 T CB -0.997 67.915 68.868 0.073 0.000 0.868 746 T HN 0.500 nan 8.240 nan 0.000 0.444 747 A N 1.295 124.152 122.820 0.061 0.000 1.930 747 A HA -0.044 4.274 4.320 -0.004 0.000 0.217 747 A C 2.182 179.703 177.584 -0.106 0.000 1.175 747 A CA 1.900 53.897 52.037 -0.067 0.000 0.627 747 A CB -1.170 17.756 19.000 -0.124 0.000 0.815 747 A HN 0.780 nan 8.150 nan 0.000 0.443 748 H N -0.047 119.002 119.070 -0.035 0.000 2.321 748 H HA -0.134 4.420 4.556 -0.004 0.000 0.300 748 H C 2.074 177.462 175.328 0.099 0.000 1.087 748 H CA 2.353 58.436 56.048 0.057 0.000 1.319 748 H CB -0.210 29.596 29.762 0.073 0.000 1.379 748 H HN 0.564 nan 8.280 nan 0.000 0.501 749 Q N -1.004 118.789 119.800 -0.012 0.000 2.119 749 Q HA -0.173 4.165 4.340 -0.004 0.000 0.201 749 Q C 2.196 178.168 176.000 -0.046 0.000 0.972 749 Q CA 1.240 56.998 55.803 -0.076 0.000 0.847 749 Q CB -0.158 28.582 28.738 0.005 0.000 0.903 749 Q HN 0.634 nan 8.270 nan 0.000 0.433 750 H N 0.793 119.826 119.070 -0.062 0.000 2.357 750 H HA -0.066 4.488 4.556 -0.004 0.000 0.301 750 H C 2.014 177.330 175.328 -0.020 0.000 1.082 750 H CA 1.296 57.344 56.048 -0.001 0.000 1.342 750 H CB 0.013 29.832 29.762 0.095 0.000 1.389 750 H HN 0.276 nan 8.280 nan 0.000 0.511 751 I N 0.058 120.584 120.570 -0.074 0.000 2.252 751 I HA -0.307 3.861 4.170 -0.004 0.000 0.245 751 I C 1.742 177.633 176.117 -0.376 0.000 1.102 751 I CA 1.155 62.331 61.300 -0.206 0.000 1.385 751 I CB -0.255 37.419 38.000 -0.544 0.000 1.064 751 I HN 0.125 nan 8.210 nan 0.000 0.414 752 Y N 0.973 121.056 120.300 -0.363 0.000 2.314 752 Y HA -0.180 4.368 4.550 -0.004 0.000 0.293 752 Y C 2.695 178.384 175.900 -0.351 0.000 1.129 752 Y CA 1.731 59.504 58.100 -0.545 0.000 1.201 752 Y CB -0.783 37.353 38.460 -0.539 0.000 0.999 752 Y HN 0.152 nan 8.280 nan 0.000 0.541 753 T N -1.686 112.786 114.554 -0.136 0.000 2.737 753 T HA -0.224 4.124 4.350 -0.004 0.000 0.265 753 T C 1.575 176.147 174.700 -0.213 0.000 1.038 753 T CA 1.849 63.830 62.100 -0.200 0.000 1.144 753 T CB -0.460 68.283 68.868 -0.208 0.000 0.866 753 T HN 0.403 nan 8.240 nan 0.000 0.434 754 H N 0.713 119.662 119.070 -0.201 0.000 2.353 754 H HA 0.092 4.646 4.556 -0.004 0.000 0.300 754 H C 2.180 177.499 175.328 -0.015 0.000 1.090 754 H CA 1.593 57.602 56.048 -0.065 0.000 1.327 754 H CB -0.237 29.493 29.762 -0.052 0.000 1.383 754 H HN 0.246 nan 8.280 nan 0.000 0.508 755 M N -0.890 118.667 119.600 -0.072 0.000 2.175 755 M HA -0.156 4.322 4.480 -0.004 0.000 0.264 755 M C 2.381 178.808 176.300 0.211 0.000 1.063 755 M CA 1.453 56.709 55.300 -0.073 0.000 1.119 755 M CB 0.123 32.412 32.600 -0.518 0.000 1.377 755 M HN 0.214 nan 8.290 nan 0.000 0.415 756 S N -0.682 115.164 115.700 0.243 0.000 2.356 756 S HA -0.151 4.317 4.470 -0.004 0.000 0.223 756 S C 1.680 176.386 174.600 0.177 0.000 1.032 756 S CA 0.988 59.423 58.200 0.392 0.000 1.005 756 S CB -0.579 62.830 63.200 0.348 0.000 0.867 756 S HN 0.474 nan 8.310 nan 0.000 0.449 757 H N 0.002 119.136 119.070 0.107 0.000 2.353 757 H HA -0.040 4.514 4.556 -0.004 0.000 0.300 757 H C 1.978 177.311 175.328 0.007 0.000 1.090 757 H CA 1.299 57.361 56.048 0.025 0.000 1.327 757 H CB -0.757 28.968 29.762 -0.061 0.000 1.383 757 H HN 0.449 nan 8.280 nan 0.000 0.508 758 F N 1.282 121.227 119.950 -0.008 0.000 2.102 758 F HA -0.184 4.341 4.527 -0.004 0.000 0.298 758 F C 2.290 178.054 175.800 -0.061 0.000 1.105 758 F CA 0.889 58.854 58.000 -0.057 0.000 1.239 758 F CB -0.314 38.634 39.000 -0.086 0.000 0.991 758 F HN -0.048 nan 8.300 nan 0.000 0.474 759 I N 0.895 121.462 120.570 -0.005 0.000 2.179 759 I HA -0.274 3.894 4.170 -0.004 0.000 0.242 759 I C 2.268 178.176 176.117 -0.349 0.000 1.088 759 I CA 1.494 62.632 61.300 -0.271 0.000 1.357 759 I CB -1.276 36.664 38.000 -0.100 0.000 1.051 759 I HN 0.214 nan 8.210 nan 0.000 0.409 760 K N 0.216 120.564 120.400 -0.086 0.000 2.103 760 K HA -0.229 4.089 4.320 -0.004 0.000 0.207 760 K C 2.013 178.597 176.600 -0.026 0.000 1.048 760 K CA 1.071 57.363 56.287 0.008 0.000 0.930 760 K CB -0.302 32.257 32.500 0.099 0.000 0.716 760 K HN 0.390 nan 8.250 nan 0.000 0.444 761 Q N 1.427 121.168 119.800 -0.097 0.000 2.046 761 Q HA -0.184 4.154 4.340 -0.004 0.000 0.200 761 Q C 2.280 178.175 176.000 -0.174 0.000 0.975 761 Q CA 1.710 57.441 55.803 -0.119 0.000 0.836 761 Q CB -0.623 28.027 28.738 -0.147 0.000 0.896 761 Q HN 0.389 nan 8.270 nan 0.000 0.428 762 c N 0.256 118.633 118.600 -0.371 0.000 2.422 762 c HA -0.075 4.493 4.570 -0.004 0.000 0.279 762 c C 2.126 176.212 174.090 -0.008 0.000 1.305 762 c CA 0.435 56.566 56.329 -0.329 0.000 1.757 762 c CB -1.327 40.818 42.510 -0.608 0.000 1.962 762 c HN 0.516 nan 8.230 nan 0.000 0.499 763 F N 2.174 122.080 119.950 -0.073 0.000 2.727 763 F HA 0.219 4.744 4.527 -0.004 0.000 0.302 763 F C 1.718 177.502 175.800 -0.027 0.000 1.097 763 F CA 0.501 58.481 58.000 -0.033 0.000 1.330 763 F CB -1.130 37.859 39.000 -0.018 0.000 1.084 763 F HN 0.421 nan 8.300 nan 0.000 0.578 764 S N 0.115 115.895 115.700 0.133 0.000 3.356 764 S HA -0.211 4.257 4.470 -0.004 0.000 0.376 764 S C 0.878 175.524 174.600 0.076 0.000 0.924 764 S CA 0.092 58.334 58.200 0.071 0.000 1.316 764 S CB -1.844 61.385 63.200 0.047 0.000 0.922 764 S HN 0.161 nan 8.310 nan 0.000 0.553 765 L N 1.123 122.400 121.223 0.090 0.000 1.993 765 L HA 0.216 4.554 4.340 -0.004 0.000 0.206 765 L C 0.491 177.393 176.870 0.053 0.000 1.074 765 L CA 1.877 56.763 54.840 0.077 0.000 0.746 765 L CB -3.095 39.020 42.059 0.094 0.000 0.896 765 L HN 0.697 nan 8.230 nan 0.000 0.435 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.139 63.100 0.065 0.000 0.800 766 P CB 0.000 31.729 31.700 0.049 0.000 0.726