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 1tk3_1_B DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.636 174.600 0.061 0.000 1.055 39 S CA 0.000 58.229 58.200 0.048 0.000 1.107 39 S CB 0.000 63.225 63.200 0.042 0.000 0.593 40 R N 0.811 121.349 120.500 0.063 0.000 1.709 40 R HA -0.102 4.238 4.340 0.000 0.000 0.388 40 R C -0.398 175.949 176.300 0.078 0.000 1.255 40 R CA 0.840 56.982 56.100 0.070 0.000 1.080 40 R CB -0.723 29.619 30.300 0.069 0.000 3.200 40 R HN 0.725 nan 8.270 nan 0.000 0.488 41 K N 2.585 123.037 120.400 0.086 0.000 2.117 41 K HA 0.361 4.681 4.320 0.000 0.000 0.240 41 K C 0.072 176.731 176.600 0.099 0.000 1.031 41 K CA 0.295 56.638 56.287 0.094 0.000 0.909 41 K CB 0.632 33.194 32.500 0.103 0.000 1.097 41 K HN 0.605 nan 8.250 nan 0.000 0.492 42 T N -2.817 111.803 114.554 0.109 0.000 2.884 42 T HA 0.230 4.580 4.350 0.000 0.000 0.277 42 T C -0.420 174.391 174.700 0.185 0.000 0.976 42 T CA -0.670 61.503 62.100 0.122 0.000 0.956 42 T CB 0.299 69.231 68.868 0.108 0.000 1.113 42 T HN 0.445 nan 8.240 nan 0.000 0.554 43 Y N 2.569 122.915 120.300 0.077 0.000 2.600 43 Y HA 0.356 4.906 4.550 0.000 0.000 0.351 43 Y C 0.939 176.988 175.900 0.248 0.000 1.042 43 Y CA -0.542 57.641 58.100 0.139 0.000 1.333 43 Y CB -0.488 38.014 38.460 0.071 0.000 1.172 43 Y HN 0.968 nan 8.280 nan 0.000 0.517 44 T N 2.389 116.956 114.554 0.021 0.000 2.882 44 T HA 0.083 4.433 4.350 0.000 0.000 0.287 44 T C 1.139 175.781 174.700 -0.098 0.000 1.014 44 T CA -0.741 61.414 62.100 0.091 0.000 1.049 44 T CB 1.216 70.108 68.868 0.040 0.000 1.001 44 T HN 0.692 nan 8.240 nan 0.000 0.525 45 L N 1.887 122.934 121.223 -0.295 0.000 2.043 45 L HA -0.060 4.280 4.340 0.000 0.000 0.212 45 L C 2.575 179.309 176.870 -0.226 0.000 1.075 45 L CA 2.272 56.748 54.840 -0.606 0.000 0.752 45 L CB -1.565 39.996 42.059 -0.831 0.000 0.891 45 L HN 0.978 nan 8.230 nan 0.000 0.432 46 T N -0.862 113.591 114.554 -0.169 0.000 2.788 46 T HA -0.149 4.201 4.350 0.000 0.000 0.268 46 T C 1.515 176.134 174.700 -0.135 0.000 1.044 46 T CA 1.295 63.322 62.100 -0.122 0.000 1.139 46 T CB -0.415 68.405 68.868 -0.081 0.000 0.867 46 T HN 0.390 nan 8.240 nan 0.000 0.454 47 D N 0.277 120.567 120.400 -0.183 0.000 2.104 47 D HA -0.100 4.540 4.640 0.000 0.000 0.194 47 D C 1.758 177.960 176.300 -0.163 0.000 0.994 47 D CA 1.100 54.964 54.000 -0.227 0.000 0.830 47 D CB -0.404 40.166 40.800 -0.382 0.000 0.959 47 D HN 0.407 nan 8.370 nan 0.000 0.452 48 Y N 1.500 121.606 120.300 -0.324 0.000 2.133 48 Y HA -0.106 4.444 4.550 0.000 0.000 0.287 48 Y C 2.216 178.125 175.900 0.015 0.000 1.134 48 Y CA 1.240 59.328 58.100 -0.020 0.000 1.133 48 Y CB -0.655 37.858 38.460 0.089 0.000 0.987 48 Y HN -0.097 nan 8.280 nan 0.000 0.502 49 L N 0.021 121.066 121.223 -0.297 0.000 2.201 49 L HA -0.168 4.172 4.340 0.000 0.000 0.212 49 L C 1.834 178.596 176.870 -0.180 0.000 1.105 49 L CA 1.230 55.879 54.840 -0.317 0.000 0.775 49 L CB -0.429 41.521 42.059 -0.182 0.000 0.913 49 L HN 0.086 nan 8.230 nan 0.000 0.440 50 K N -0.213 120.107 120.400 -0.134 0.000 2.374 50 K HA 0.053 4.373 4.320 0.000 0.000 0.196 50 K C 0.287 176.836 176.600 -0.085 0.000 1.023 50 K CA -0.107 56.122 56.287 -0.097 0.000 1.103 50 K CB -0.301 32.146 32.500 -0.089 0.000 0.848 50 K HN 0.122 nan 8.250 nan 0.000 0.528 51 N N 1.170 119.826 118.700 -0.073 0.000 2.725 51 N HA -0.168 4.572 4.740 0.000 0.000 0.251 51 N C 0.159 175.648 175.510 -0.034 0.000 1.031 51 N CA 0.972 54.016 53.050 -0.010 0.000 0.720 51 N CB -1.410 37.063 38.487 -0.024 0.000 0.930 51 N HN 0.099 nan 8.380 nan 0.000 0.543 52 T N -0.638 113.852 114.554 -0.107 0.000 2.777 52 T HA -0.128 4.222 4.350 0.000 0.000 0.266 52 T C 0.245 174.711 174.700 -0.390 0.000 1.040 52 T CA 1.433 63.346 62.100 -0.312 0.000 1.141 52 T CB -0.170 68.379 68.868 -0.531 0.000 0.868 52 T HN 0.399 nan 8.240 nan 0.000 0.444 53 Y N 1.687 122.080 120.300 0.154 0.000 2.504 53 Y HA 0.508 5.058 4.550 0.000 0.000 0.339 53 Y C 0.411 176.417 175.900 0.177 0.000 0.974 53 Y CA -1.174 57.038 58.100 0.187 0.000 1.232 53 Y CB 0.427 39.061 38.460 0.290 0.000 1.108 53 Y HN -0.089 nan 8.280 nan 0.000 0.509 54 R N 2.787 123.418 120.500 0.217 0.000 2.407 54 R HA 0.588 4.928 4.340 0.000 0.000 0.303 54 R C -1.441 174.963 176.300 0.173 0.000 0.981 54 R CA -0.895 55.306 56.100 0.168 0.000 0.905 54 R CB 0.699 31.055 30.300 0.093 0.000 1.099 54 R HN 0.555 nan 8.270 nan 0.000 0.459 55 L N 4.728 126.055 121.223 0.174 0.000 2.278 55 L HA 0.295 4.635 4.340 0.000 0.000 0.287 55 L C 0.185 177.136 176.870 0.135 0.000 1.072 55 L CA 0.258 55.200 54.840 0.171 0.000 0.819 55 L CB 0.946 43.126 42.059 0.202 0.000 1.176 55 L HN 0.453 nan 8.230 nan 0.000 0.435 56 K N 3.577 124.049 120.400 0.120 0.000 2.237 56 K HA 0.537 4.857 4.320 0.000 0.000 0.270 56 K C -0.728 175.919 176.600 0.079 0.000 1.015 56 K CA -0.528 55.807 56.287 0.081 0.000 0.949 56 K CB 0.808 33.350 32.500 0.069 0.000 0.976 56 K HN 0.226 nan 8.250 nan 0.000 0.472 57 L N 1.306 122.513 121.223 -0.027 0.000 2.235 57 L HA 0.422 4.762 4.340 0.000 0.000 0.260 57 L C -0.984 175.643 176.870 -0.406 0.000 1.025 57 L CA -0.747 53.971 54.840 -0.203 0.000 0.836 57 L CB 0.578 42.615 42.059 -0.036 0.000 1.395 57 L HN 0.476 nan 8.230 nan 0.000 0.443 58 Y N 0.227 120.004 120.300 -0.872 0.000 2.563 58 Y HA 0.429 4.979 4.550 0.000 0.000 0.351 58 Y C -0.389 175.345 175.900 -0.277 0.000 1.087 58 Y CA -0.513 57.262 58.100 -0.541 0.000 1.272 58 Y CB 1.302 39.286 38.460 -0.794 0.000 1.095 58 Y HN 0.488 nan 8.280 nan 0.000 0.620 59 S N 6.226 121.875 115.700 -0.085 0.000 2.465 59 S HA 0.663 5.133 4.470 0.000 0.000 0.279 59 S C -0.542 174.054 174.600 -0.007 0.000 1.201 59 S CA -0.514 57.681 58.200 -0.008 0.000 1.053 59 S CB -0.268 62.919 63.200 -0.022 0.000 0.953 59 S HN 0.681 nan 8.310 nan 0.000 0.488 60 L N 3.290 124.489 121.223 -0.040 0.000 2.309 60 L HA 0.820 5.160 4.340 0.000 0.000 0.261 60 L C -0.825 175.967 176.870 -0.130 0.000 1.021 60 L CA -1.169 53.584 54.840 -0.145 0.000 0.823 60 L CB 1.909 43.595 42.059 -0.621 0.000 1.366 60 L HN 0.473 nan 8.230 nan 0.000 0.423 61 R N 1.581 122.032 120.500 -0.082 0.000 2.500 61 R HA 0.319 4.659 4.340 0.000 0.000 0.299 61 R C -1.978 174.363 176.300 0.067 0.000 1.038 61 R CA -0.378 55.736 56.100 0.023 0.000 0.903 61 R CB 1.242 31.602 30.300 0.100 0.000 1.177 61 R HN 0.793 nan 8.270 nan 0.000 0.455 62 W N 5.519 126.938 121.300 0.198 0.000 2.303 62 W HA 0.152 4.812 4.660 0.000 0.000 0.318 62 W C 1.796 178.421 176.519 0.176 0.000 1.362 62 W CA -0.401 57.077 57.345 0.222 0.000 1.234 62 W CB 0.489 30.069 29.460 0.200 0.000 1.248 62 W HN 0.571 nan 8.180 nan 0.000 0.546 63 I N 0.449 121.258 120.570 0.398 0.000 4.018 63 I HA 0.304 4.474 4.170 0.000 0.000 0.337 63 I C 0.589 176.866 176.117 0.268 0.000 1.327 63 I CA -0.059 61.395 61.300 0.256 0.000 1.100 63 I CB -0.202 37.892 38.000 0.155 0.000 1.025 63 I HN 0.281 nan 8.210 nan 0.000 0.396 64 S N -0.477 115.439 115.700 0.360 0.000 2.755 64 S HA 0.240 4.710 4.470 0.000 0.000 0.286 64 S C -0.152 174.632 174.600 0.307 0.000 1.207 64 S CA -0.142 58.252 58.200 0.323 0.000 0.892 64 S CB 1.435 64.854 63.200 0.365 0.000 1.240 64 S HN 0.094 nan 8.310 nan 0.000 0.525 65 D N -0.874 119.648 120.400 0.202 0.000 2.349 65 D HA 0.224 4.864 4.640 0.000 0.000 0.215 65 D C 0.872 177.055 176.300 -0.194 0.000 1.016 65 D CA 0.914 54.840 54.000 -0.123 0.000 0.870 65 D CB 0.020 40.627 40.800 -0.322 0.000 0.917 65 D HN 0.606 nan 8.370 nan 0.000 0.524 66 H N -1.573 117.699 119.070 0.336 0.000 3.255 66 H HA 0.453 5.009 4.556 0.000 0.000 0.256 66 H C -0.018 175.483 175.328 0.289 0.000 1.049 66 H CA -0.214 56.032 56.048 0.329 0.000 1.202 66 H CB 0.525 30.439 29.762 0.253 0.000 1.497 66 H HN 0.013 nan 8.280 nan 0.000 0.503 67 E N 0.504 120.994 120.200 0.485 0.000 2.359 67 E HA 0.448 4.798 4.350 0.000 0.000 0.266 67 E C -1.407 175.421 176.600 0.379 0.000 0.920 67 E CA -1.332 55.251 56.400 0.305 0.000 0.788 67 E CB 2.921 32.734 29.700 0.189 0.000 1.279 67 E HN 0.200 nan 8.360 nan 0.000 0.438 68 Y N -1.381 118.970 120.300 0.084 0.000 2.571 68 Y HA 0.576 5.126 4.550 0.000 0.000 0.341 68 Y C -1.768 174.140 175.900 0.014 0.000 1.076 68 Y CA -1.310 56.728 58.100 -0.102 0.000 1.029 68 Y CB 0.721 38.761 38.460 -0.701 0.000 1.308 68 Y HN 0.343 nan 8.280 nan 0.000 0.461 69 L N 3.144 124.522 121.223 0.257 0.000 2.325 69 L HA 0.451 4.791 4.340 0.000 0.000 0.279 69 L C -1.315 175.772 176.870 0.361 0.000 1.054 69 L CA -0.999 53.968 54.840 0.211 0.000 0.804 69 L CB 1.408 43.502 42.059 0.059 0.000 1.200 69 L HN 0.780 nan 8.230 nan 0.000 0.436 70 Y N 3.173 123.579 120.300 0.177 0.000 2.333 70 Y HA 0.283 4.833 4.550 0.000 0.000 0.324 70 Y C -0.403 175.497 175.900 0.000 0.000 1.033 70 Y CA -1.118 57.020 58.100 0.064 0.000 1.224 70 Y CB 1.196 39.705 38.460 0.081 0.000 1.120 70 Y HN 0.442 nan 8.280 nan 0.000 0.457 71 K N 4.977 125.110 120.400 -0.445 0.000 2.312 71 K HA 0.235 4.555 4.320 0.000 0.000 0.287 71 K C -0.386 175.851 176.600 -0.606 0.000 1.062 71 K CA -0.145 55.885 56.287 -0.428 0.000 0.934 71 K CB 0.672 33.009 32.500 -0.271 0.000 1.027 71 K HN 0.804 nan 8.250 nan 0.000 0.478 72 Q N 3.649 123.215 119.800 -0.390 0.000 2.640 72 Q HA 0.026 4.366 4.340 0.000 0.000 0.389 72 Q C -0.697 175.193 176.000 -0.184 0.000 1.012 72 Q CA -0.169 55.455 55.803 -0.299 0.000 1.060 72 Q CB 0.691 29.348 28.738 -0.136 0.000 1.332 72 Q HN 0.744 nan 8.270 nan 0.000 0.418 73 E N -0.815 119.271 120.200 -0.190 0.000 4.537 73 E HA -0.316 4.034 4.350 0.000 0.000 0.247 73 E C 0.389 176.926 176.600 -0.105 0.000 0.792 73 E CA 2.463 58.785 56.400 -0.129 0.000 1.356 73 E CB -0.752 28.888 29.700 -0.101 0.000 1.709 73 E HN 0.480 nan 8.360 nan 0.000 0.385 74 N N -1.346 117.293 118.700 -0.103 0.000 2.677 74 N HA 0.182 4.922 4.740 0.000 0.000 0.242 74 N C -0.721 174.735 175.510 -0.090 0.000 1.044 74 N CA 0.467 53.468 53.050 -0.082 0.000 0.934 74 N CB 0.422 38.872 38.487 -0.061 0.000 1.595 74 N HN 0.058 nan 8.380 nan 0.000 0.459 75 N N 0.458 119.105 118.700 -0.090 0.000 2.417 75 N HA 0.326 5.066 4.740 0.000 0.000 0.274 75 N C -1.410 174.042 175.510 -0.096 0.000 0.987 75 N CA -0.495 52.507 53.050 -0.081 0.000 0.912 75 N CB 2.200 40.655 38.487 -0.053 0.000 1.177 75 N HN 0.136 nan 8.380 nan 0.000 0.490 76 I N 3.847 124.348 120.570 -0.115 0.000 2.291 76 I HA 0.299 4.469 4.170 0.000 0.000 0.292 76 I C -0.759 175.358 176.117 0.001 0.000 1.064 76 I CA -0.524 60.691 61.300 -0.140 0.000 1.269 76 I CB -0.278 37.523 38.000 -0.330 0.000 1.418 76 I HN 0.456 nan 8.210 nan 0.000 0.485 77 L N 6.618 127.878 121.223 0.062 0.000 2.332 77 L HA 0.842 5.182 4.340 0.000 0.000 0.269 77 L C -0.657 176.297 176.870 0.140 0.000 1.016 77 L CA -1.077 53.814 54.840 0.084 0.000 0.809 77 L CB 1.518 43.574 42.059 -0.005 0.000 1.280 77 L HN 0.367 nan 8.230 nan 0.000 0.447 78 V N 1.282 121.227 119.914 0.052 0.000 2.555 78 V HA 0.574 4.694 4.120 0.000 0.000 0.302 78 V C -0.946 175.051 176.094 -0.162 0.000 1.038 78 V CA -0.238 62.092 62.300 0.050 0.000 0.887 78 V CB 1.507 33.410 31.823 0.133 0.000 0.991 78 V HN 0.616 nan 8.190 nan 0.000 0.434 79 F N 4.612 124.307 119.950 -0.424 0.000 2.470 79 F HA 0.522 5.049 4.527 0.000 0.000 0.329 79 F C 0.514 176.039 175.800 -0.458 0.000 1.072 79 F CA -0.676 57.000 58.000 -0.540 0.000 0.989 79 F CB 1.473 39.901 39.000 -0.953 0.000 1.193 79 F HN 0.544 nan 8.300 nan 0.000 0.481 80 N N 1.457 120.117 118.700 -0.065 0.000 2.457 80 N HA 0.267 5.007 4.740 0.000 0.000 0.250 80 N C 0.520 176.011 175.510 -0.032 0.000 0.982 80 N CA 0.079 53.131 53.050 0.003 0.000 0.941 80 N CB 1.693 40.239 38.487 0.098 0.000 1.120 80 N HN 0.770 nan 8.380 nan 0.000 0.505 81 A N 3.733 126.485 122.820 -0.113 0.000 1.927 81 A HA -0.243 4.077 4.320 0.000 0.000 0.220 81 A C 1.901 179.241 177.584 -0.406 0.000 1.185 81 A CA 1.903 53.759 52.037 -0.302 0.000 0.639 81 A CB -0.507 18.053 19.000 -0.732 0.000 0.820 81 A HN 0.796 nan 8.150 nan 0.000 0.451 82 E N -1.004 118.986 120.200 -0.350 0.000 2.038 82 E HA -0.191 4.159 4.350 0.000 0.000 0.195 82 E C 1.455 177.775 176.600 -0.466 0.000 1.000 82 E CA 2.073 58.269 56.400 -0.340 0.000 0.803 82 E CB -0.374 29.111 29.700 -0.358 0.000 0.750 82 E HN 0.754 nan 8.360 nan 0.000 0.448 83 Y N -2.314 117.989 120.300 0.005 0.000 2.462 83 Y HA 0.366 4.916 4.550 0.000 0.000 0.253 83 Y C 1.634 177.541 175.900 0.012 0.000 1.095 83 Y CA 0.245 58.351 58.100 0.010 0.000 1.283 83 Y CB 0.995 39.459 38.460 0.008 0.000 1.138 83 Y HN 0.220 nan 8.280 nan 0.000 0.522 84 G N 0.852 109.741 108.800 0.148 0.000 2.176 84 G HA2 -0.309 3.651 3.960 0.000 0.000 0.253 84 G HA3 -0.309 3.651 3.960 0.000 0.000 0.253 84 G C -0.046 174.967 174.900 0.188 0.000 0.979 84 G CA 0.109 45.315 45.100 0.176 0.000 0.641 84 G HN 0.437 nan 8.290 nan 0.000 0.530 85 N N 0.859 119.614 118.700 0.093 0.000 2.518 85 N HA 0.509 5.249 4.740 0.000 0.000 0.266 85 N C 0.213 175.587 175.510 -0.228 0.000 1.196 85 N CA 0.698 53.722 53.050 -0.043 0.000 0.947 85 N CB 1.548 40.010 38.487 -0.042 0.000 1.098 85 N HN 0.880 nan 8.380 nan 0.000 0.450 86 S N 0.518 115.958 115.700 -0.434 0.000 2.751 86 S HA 0.809 5.279 4.470 0.000 0.000 0.310 86 S C -0.659 173.709 174.600 -0.386 0.000 1.128 86 S CA -0.740 57.032 58.200 -0.713 0.000 0.931 86 S CB 1.508 63.756 63.200 -1.586 0.000 1.177 86 S HN 0.642 nan 8.310 nan 0.000 0.530 87 S N -0.239 115.264 115.700 -0.329 0.000 2.547 87 S HA 0.481 4.951 4.470 0.000 0.000 0.270 87 S C -1.139 173.390 174.600 -0.118 0.000 1.150 87 S CA -0.757 57.336 58.200 -0.178 0.000 0.850 87 S CB 1.538 64.664 63.200 -0.124 0.000 1.118 87 S HN 0.765 nan 8.310 nan 0.000 0.461 88 V N 3.183 123.046 119.914 -0.085 0.000 2.521 88 V HA 0.190 4.310 4.120 0.000 0.000 0.286 88 V C 0.503 176.599 176.094 0.003 0.000 1.034 88 V CA 0.316 62.593 62.300 -0.037 0.000 1.045 88 V CB 0.203 31.992 31.823 -0.057 0.000 0.974 88 V HN 0.949 nan 8.190 nan 0.000 0.480 89 F N 5.167 125.070 119.950 -0.078 0.000 2.505 89 F HA 0.446 4.973 4.527 0.000 0.000 0.289 89 F C 0.344 176.111 175.800 -0.054 0.000 1.101 89 F CA 0.356 58.323 58.000 -0.054 0.000 1.446 89 F CB 0.629 39.611 39.000 -0.030 0.000 1.123 89 F HN 0.371 nan 8.300 nan 0.000 0.564 90 L N 1.487 122.810 121.223 0.167 0.000 2.541 90 L HA 0.260 4.601 4.340 0.000 0.000 0.266 90 L C -0.435 176.408 176.870 -0.044 0.000 0.966 90 L CA -0.630 54.240 54.840 0.049 0.000 0.871 90 L CB 1.017 43.165 42.059 0.149 0.000 1.232 90 L HN 0.266 nan 8.230 nan 0.000 0.408 91 E N 3.112 123.251 120.200 -0.102 0.000 2.422 91 E HA 0.014 4.364 4.350 0.000 0.000 0.260 91 E C 0.117 176.649 176.600 -0.114 0.000 1.108 91 E CA 0.292 56.629 56.400 -0.104 0.000 0.943 91 E CB 0.642 30.273 29.700 -0.114 0.000 0.961 91 E HN 0.785 nan 8.360 nan 0.000 0.443 92 N N 1.411 120.058 118.700 -0.088 0.000 2.007 92 N HA -0.280 4.460 4.740 0.000 0.000 0.197 92 N C 1.764 177.226 175.510 -0.081 0.000 1.050 92 N CA 2.119 55.123 53.050 -0.077 0.000 0.856 92 N CB -0.114 38.336 38.487 -0.062 0.000 1.050 92 N HN 0.652 nan 8.380 nan 0.000 0.423 93 S N -0.740 114.908 115.700 -0.087 0.000 2.474 93 S HA -0.057 4.413 4.470 0.000 0.000 0.235 93 S C 1.751 176.265 174.600 -0.144 0.000 0.997 93 S CA 1.225 59.375 58.200 -0.085 0.000 0.949 93 S CB -0.619 62.539 63.200 -0.070 0.000 0.766 93 S HN 0.315 nan 8.310 nan 0.000 0.517 94 T N 1.671 116.076 114.554 -0.248 0.000 2.771 94 T HA -0.190 4.160 4.350 0.000 0.000 0.262 94 T C 0.610 174.921 174.700 -0.649 0.000 1.027 94 T CA 2.042 63.843 62.100 -0.498 0.000 1.159 94 T CB -0.546 67.881 68.868 -0.736 0.000 0.844 94 T HN 0.607 nan 8.240 nan 0.000 0.478 95 F N 0.491 120.355 119.950 -0.144 0.000 2.661 95 F HA 0.317 4.844 4.527 0.000 0.000 0.306 95 F C 0.884 176.676 175.800 -0.014 0.000 1.094 95 F CA -1.297 56.636 58.000 -0.113 0.000 1.254 95 F CB 0.112 38.953 39.000 -0.264 0.000 1.040 95 F HN -0.042 nan 8.300 nan 0.000 0.562 96 D N 1.160 121.614 120.400 0.090 0.000 2.364 96 D HA -0.048 4.592 4.640 0.000 0.000 0.236 96 D C 0.834 177.196 176.300 0.104 0.000 1.221 96 D CA 0.864 54.910 54.000 0.077 0.000 0.891 96 D CB 0.347 41.158 40.800 0.018 0.000 1.190 96 D HN 0.317 nan 8.370 nan 0.000 0.449 97 E N -0.962 119.284 120.200 0.078 0.000 3.286 97 E HA -0.297 4.053 4.350 0.000 0.000 0.292 97 E C 0.713 177.356 176.600 0.072 0.000 0.928 97 E CA 0.145 56.573 56.400 0.047 0.000 0.982 97 E CB -1.754 27.962 29.700 0.026 0.000 1.500 97 E HN 0.483 nan 8.360 nan 0.000 0.441 98 F N 0.384 120.319 119.950 -0.026 0.000 2.407 98 F HA 0.047 4.574 4.527 0.000 0.000 0.299 98 F C 1.942 177.668 175.800 -0.124 0.000 1.097 98 F CA 1.784 59.760 58.000 -0.042 0.000 1.422 98 F CB 0.237 39.210 39.000 -0.045 0.000 1.067 98 F HN 0.186 nan 8.300 nan 0.000 0.539 99 G N -0.464 108.278 108.800 -0.097 0.000 2.179 99 G HA2 -0.263 3.697 3.960 0.000 0.000 0.260 99 G HA3 -0.263 3.697 3.960 0.000 0.000 0.260 99 G C 0.092 174.646 174.900 -0.575 0.000 0.977 99 G CA 0.439 45.328 45.100 -0.352 0.000 0.641 99 G HN 0.534 nan 8.290 nan 0.000 0.533 100 H N -0.761 118.408 119.070 0.164 0.000 3.016 100 H HA 0.605 5.161 4.556 0.000 0.000 0.362 100 H C -0.698 174.735 175.328 0.174 0.000 1.233 100 H CA 0.017 56.184 56.048 0.199 0.000 1.124 100 H CB 1.448 31.290 29.762 0.134 0.000 1.850 100 H HN 0.192 nan 8.280 nan 0.000 0.549 101 S N 1.958 117.798 115.700 0.232 0.000 2.452 101 S HA 0.256 4.726 4.470 0.000 0.000 0.284 101 S C 0.086 174.696 174.600 0.016 0.000 1.171 101 S CA -0.796 57.453 58.200 0.081 0.000 1.064 101 S CB -0.325 62.919 63.200 0.072 0.000 0.967 101 S HN 0.315 nan 8.310 nan 0.000 0.484 102 I N 6.236 126.726 120.570 -0.135 0.000 2.421 102 I HA 0.081 4.251 4.170 0.000 0.000 0.291 102 I C 1.745 177.798 176.117 -0.106 0.000 1.089 102 I CA 0.164 61.342 61.300 -0.204 0.000 1.354 102 I CB -0.062 37.723 38.000 -0.359 0.000 1.413 102 I HN 0.812 nan 8.210 nan 0.000 0.513 103 N N 4.480 123.130 118.700 -0.082 0.000 2.270 103 N HA -0.092 4.648 4.740 0.000 0.000 0.181 103 N C 0.045 175.476 175.510 -0.131 0.000 1.016 103 N CA 0.877 53.849 53.050 -0.132 0.000 0.870 103 N CB 0.605 38.980 38.487 -0.187 0.000 0.979 103 N HN 0.764 nan 8.380 nan 0.000 0.431 104 D N -1.779 118.572 120.400 -0.082 0.000 2.648 104 D HA 0.195 4.835 4.640 0.000 0.000 0.244 104 D C -1.503 174.829 176.300 0.053 0.000 1.244 104 D CA -0.642 53.348 54.000 -0.017 0.000 0.772 104 D CB 0.687 41.434 40.800 -0.089 0.000 1.379 104 D HN 0.110 nan 8.370 nan 0.000 0.428 105 Y N -0.095 120.188 120.300 -0.028 0.000 2.587 105 Y HA 0.847 5.397 4.550 0.000 0.000 0.337 105 Y C -0.853 175.105 175.900 0.096 0.000 1.065 105 Y CA -1.286 56.826 58.100 0.020 0.000 1.126 105 Y CB 2.010 40.479 38.460 0.015 0.000 1.279 105 Y HN 0.200 nan 8.280 nan 0.000 0.489 106 S N 2.605 118.380 115.700 0.126 0.000 2.614 106 S HA 0.501 4.971 4.470 0.000 0.000 0.259 106 S C -1.421 173.423 174.600 0.406 0.000 1.118 106 S CA -0.574 57.714 58.200 0.147 0.000 1.065 106 S CB -0.207 63.126 63.200 0.222 0.000 1.121 106 S HN 0.690 nan 8.310 nan 0.000 0.458 107 I N 4.297 125.008 120.570 0.235 0.000 2.428 107 I HA 0.282 4.452 4.170 0.000 0.000 0.289 107 I C 1.097 177.053 176.117 -0.269 0.000 1.019 107 I CA -0.435 60.931 61.300 0.110 0.000 1.351 107 I CB 1.584 39.627 38.000 0.071 0.000 1.412 107 I HN 0.717 nan 8.210 nan 0.000 0.513 108 S N 5.622 120.865 115.700 -0.762 0.000 2.584 108 S HA 0.165 4.635 4.470 0.000 0.000 0.270 108 S C -1.858 172.433 174.600 -0.515 0.000 1.346 108 S CA -0.935 56.422 58.200 -1.405 0.000 1.018 108 S CB 0.662 62.895 63.200 -1.613 0.000 0.899 108 S HN 0.412 nan 8.310 nan 0.000 0.542 109 P HA -0.156 nan 4.420 nan 0.000 0.215 109 P C 0.793 178.052 177.300 -0.068 0.000 1.157 109 P CA 1.730 64.755 63.100 -0.125 0.000 0.874 109 P CB -0.239 31.412 31.700 -0.081 0.000 0.790 110 D N -1.835 118.522 120.400 -0.071 0.000 2.378 110 D HA 0.047 4.687 4.640 0.000 0.000 0.227 110 D C 1.289 177.571 176.300 -0.029 0.000 1.012 110 D CA 0.743 54.735 54.000 -0.014 0.000 0.905 110 D CB -1.366 39.461 40.800 0.044 0.000 0.895 110 D HN 0.200 nan 8.370 nan 0.000 0.532 111 G N 0.233 109.000 108.800 -0.056 0.000 2.233 111 G HA2 -0.414 3.546 3.960 0.000 0.000 0.270 111 G HA3 -0.414 3.546 3.960 0.000 0.000 0.270 111 G C 0.828 175.697 174.900 -0.051 0.000 1.011 111 G CA 0.729 45.841 45.100 0.020 0.000 0.762 111 G HN 0.496 nan 8.290 nan 0.000 0.511 112 Q N -1.834 117.831 119.800 -0.226 0.000 2.376 112 Q HA 0.365 4.705 4.340 0.000 0.000 0.206 112 Q C 0.282 175.780 176.000 -0.837 0.000 0.921 112 Q CA 0.609 56.074 55.803 -0.563 0.000 0.911 112 Q CB 0.496 28.764 28.738 -0.785 0.000 1.032 112 Q HN 0.583 nan 8.270 nan 0.000 0.510 113 F N -0.412 119.482 119.950 -0.093 0.000 2.613 113 F HA 0.526 5.053 4.527 0.000 0.000 0.314 113 F C -0.627 175.277 175.800 0.173 0.000 1.075 113 F CA -1.250 56.777 58.000 0.045 0.000 0.945 113 F CB 1.756 40.821 39.000 0.109 0.000 1.310 113 F HN -0.217 nan 8.300 nan 0.000 0.467 114 I N 2.772 123.699 120.570 0.595 0.000 2.499 114 I HA 0.472 4.642 4.170 0.000 0.000 0.288 114 I C -1.803 174.658 176.117 0.574 0.000 1.048 114 I CA -1.093 60.550 61.300 0.572 0.000 1.062 114 I CB 1.580 39.909 38.000 0.548 0.000 1.238 114 I HN 0.552 nan 8.210 nan 0.000 0.426 115 L N 8.525 130.096 121.223 0.579 0.000 2.278 115 L HA 0.454 4.794 4.340 0.000 0.000 0.287 115 L C -1.230 175.780 176.870 0.233 0.000 1.072 115 L CA 0.078 55.136 54.840 0.364 0.000 0.819 115 L CB 0.752 42.951 42.059 0.234 0.000 1.176 115 L HN 0.496 nan 8.230 nan 0.000 0.435 116 L N 5.343 126.650 121.223 0.140 0.000 2.264 116 L HA 0.440 4.780 4.340 0.000 0.000 0.289 116 L C 0.159 177.060 176.870 0.052 0.000 1.044 116 L CA -0.242 54.579 54.840 -0.030 0.000 0.807 116 L CB 1.126 43.004 42.059 -0.302 0.000 1.192 116 L HN 0.630 nan 8.230 nan 0.000 0.425 117 E N 4.399 124.579 120.200 -0.034 0.000 2.134 117 E HA 0.377 4.727 4.350 0.000 0.000 0.278 117 E C -1.542 175.011 176.600 -0.078 0.000 0.959 117 E CA -0.554 55.724 56.400 -0.204 0.000 0.783 117 E CB 0.915 30.511 29.700 -0.173 0.000 1.095 117 E HN 0.448 nan 8.360 nan 0.000 0.399 118 Y N 1.915 122.024 120.300 -0.318 0.000 2.677 118 Y HA 0.460 5.010 4.550 0.000 0.000 0.334 118 Y C -0.019 175.786 175.900 -0.159 0.000 1.154 118 Y CA -1.725 56.270 58.100 -0.175 0.000 1.070 118 Y CB 0.583 38.999 38.460 -0.074 0.000 1.294 118 Y HN 0.514 nan 8.280 nan 0.000 0.475 119 N N -0.319 118.353 118.700 -0.046 0.000 2.747 119 N HA -0.290 4.450 4.740 0.000 0.000 0.249 119 N C -0.851 174.608 175.510 -0.085 0.000 1.107 119 N CA 0.979 53.962 53.050 -0.111 0.000 0.707 119 N CB -1.496 36.800 38.487 -0.318 0.000 1.054 119 N HN 0.873 nan 8.380 nan 0.000 0.555 120 Y N 0.431 120.635 120.300 -0.160 0.000 2.811 120 Y HA 0.182 4.732 4.550 0.000 0.000 0.334 120 Y C 0.219 176.061 175.900 -0.095 0.000 1.247 120 Y CA 0.347 58.346 58.100 -0.167 0.000 1.526 120 Y CB 0.682 38.998 38.460 -0.239 0.000 1.284 120 Y HN -0.010 nan 8.280 nan 0.000 0.586 121 V N 7.866 127.350 119.914 -0.717 0.000 2.568 121 V HA 0.153 4.273 4.120 0.000 0.000 0.276 121 V C -0.272 175.409 176.094 -0.688 0.000 1.002 121 V CA -1.425 60.530 62.300 -0.576 0.000 0.879 121 V CB 1.036 32.701 31.823 -0.263 0.000 1.040 121 V HN 0.795 nan 8.190 nan 0.000 0.457 122 K N 3.182 123.069 120.400 -0.854 0.000 2.469 122 K HA 0.136 4.456 4.320 0.000 0.000 0.274 122 K C 0.408 176.840 176.600 -0.280 0.000 0.983 122 K CA 0.560 56.587 56.287 -0.432 0.000 0.974 122 K CB 1.148 33.571 32.500 -0.128 0.000 0.913 122 K HN 0.789 nan 8.250 nan 0.000 0.493 123 Q N 2.409 122.055 119.800 -0.257 0.000 2.489 123 Q HA 0.190 4.530 4.340 0.000 0.000 0.202 123 Q C -0.065 175.724 176.000 -0.350 0.000 0.853 123 Q CA -0.493 54.965 55.803 -0.574 0.000 0.539 123 Q CB 0.183 28.429 28.738 -0.820 0.000 3.308 123 Q HN 0.728 nan 8.270 nan 0.000 0.362 124 W N 0.317 121.621 121.300 0.007 0.000 1.945 124 W HA 0.306 4.966 4.660 0.000 0.000 0.606 124 W C 1.770 178.279 176.519 -0.016 0.000 1.803 124 W CA -0.503 56.866 57.345 0.041 0.000 1.990 124 W CB -0.118 29.326 29.460 -0.027 0.000 2.848 124 W HN 0.386 nan 8.180 nan 0.000 0.771 125 R N -0.352 120.252 120.500 0.173 0.000 2.091 125 R HA -0.171 4.169 4.340 0.000 0.000 0.238 125 R C 1.543 177.692 176.300 -0.252 0.000 1.136 125 R CA 2.425 58.451 56.100 -0.123 0.000 0.959 125 R CB -0.548 29.538 30.300 -0.356 0.000 0.856 125 R HN 0.566 nan 8.270 nan 0.000 0.437 126 H N -1.216 117.938 119.070 0.139 0.000 2.695 126 H HA 0.270 4.826 4.556 0.000 0.000 0.267 126 H C 0.385 175.786 175.328 0.121 0.000 0.973 126 H CA 0.246 56.396 56.048 0.171 0.000 1.223 126 H CB 0.413 30.263 29.762 0.146 0.000 1.442 126 H HN 0.197 nan 8.280 nan 0.000 0.478 127 S N 1.118 116.757 115.700 -0.102 0.000 2.579 127 S HA 0.283 4.753 4.470 0.000 0.000 0.275 127 S C -0.542 173.917 174.600 -0.235 0.000 1.345 127 S CA -0.450 57.357 58.200 -0.655 0.000 1.031 127 S CB 0.435 62.766 63.200 -1.449 0.000 0.892 127 S HN 0.459 nan 8.310 nan 0.000 0.529 128 Y N -2.719 117.462 120.300 -0.198 0.000 2.661 128 Y HA 0.635 5.185 4.550 0.000 0.000 0.339 128 Y C -0.765 175.119 175.900 -0.027 0.000 1.186 128 Y CA -0.978 57.020 58.100 -0.171 0.000 1.137 128 Y CB 0.697 39.087 38.460 -0.117 0.000 1.354 128 Y HN 0.761 nan 8.280 nan 0.000 0.469 129 T N 1.318 115.943 114.554 0.119 0.000 2.945 129 T HA 0.967 5.317 4.350 0.000 0.000 0.286 129 T C -0.666 174.146 174.700 0.187 0.000 1.025 129 T CA 0.274 62.461 62.100 0.146 0.000 1.039 129 T CB 1.017 69.903 68.868 0.030 0.000 1.068 129 T HN 1.723 nan 8.240 nan 0.000 0.497 130 A N 1.768 124.693 122.820 0.175 0.000 2.540 130 A HA 0.694 5.014 4.320 0.000 0.000 0.291 130 A C -0.823 176.631 177.584 -0.216 0.000 1.083 130 A CA -0.751 51.243 52.037 -0.072 0.000 0.650 130 A CB 0.972 19.888 19.000 -0.141 0.000 1.292 130 A HN 0.739 nan 8.150 nan 0.000 0.435 131 S N -0.672 114.654 115.700 -0.623 0.000 2.608 131 S HA 0.808 5.278 4.470 0.000 0.000 0.291 131 S C -1.528 172.556 174.600 -0.860 0.000 1.146 131 S CA -0.037 57.733 58.200 -0.717 0.000 1.043 131 S CB 0.606 63.060 63.200 -1.244 0.000 1.037 131 S HN 0.445 nan 8.310 nan 0.000 0.520 132 Y N 0.197 120.336 120.300 -0.268 0.000 2.492 132 Y HA 0.496 5.046 4.550 0.000 0.000 0.346 132 Y C -0.312 175.652 175.900 0.107 0.000 0.997 132 Y CA -0.974 57.102 58.100 -0.039 0.000 1.025 132 Y CB 1.737 40.101 38.460 -0.159 0.000 1.263 132 Y HN 0.489 nan 8.280 nan 0.000 0.454 133 D N 2.376 122.986 120.400 0.350 0.000 2.671 133 D HA 0.540 5.180 4.640 0.000 0.000 0.232 133 D C -1.000 175.435 176.300 0.225 0.000 1.114 133 D CA -0.335 53.827 54.000 0.270 0.000 0.858 133 D CB 2.794 43.801 40.800 0.346 0.000 1.544 133 D HN 0.411 nan 8.370 nan 0.000 0.471 134 I N 1.932 122.623 120.570 0.201 0.000 2.378 134 I HA 0.216 4.386 4.170 0.000 0.000 0.291 134 I C -0.888 175.453 176.117 0.374 0.000 0.992 134 I CA -0.971 60.487 61.300 0.262 0.000 1.154 134 I CB 1.398 39.484 38.000 0.143 0.000 1.315 134 I HN 0.235 nan 8.210 nan 0.000 0.448 135 Y N 6.077 126.578 120.300 0.336 0.000 2.342 135 Y HA 0.265 4.815 4.550 0.000 0.000 0.338 135 Y C -0.015 176.138 175.900 0.422 0.000 0.965 135 Y CA -0.792 57.534 58.100 0.376 0.000 1.159 135 Y CB 0.824 39.568 38.460 0.473 0.000 1.157 135 Y HN 0.495 nan 8.280 nan 0.000 0.486 136 D N 6.381 126.736 120.400 -0.075 0.000 2.358 136 D HA 0.053 4.693 4.640 0.000 0.000 0.258 136 D C 0.571 176.519 176.300 -0.587 0.000 1.223 136 D CA 0.416 54.361 54.000 -0.091 0.000 0.886 136 D CB 0.972 41.787 40.800 0.024 0.000 1.120 136 D HN 0.889 nan 8.370 nan 0.000 0.482 137 L N 3.728 124.680 121.223 -0.451 0.000 2.375 137 L HA -0.020 4.320 4.340 0.000 0.000 0.215 137 L C 2.062 178.739 176.870 -0.320 0.000 1.108 137 L CA 0.047 54.676 54.840 -0.351 0.000 0.830 137 L CB -0.154 41.801 42.059 -0.174 0.000 0.959 137 L HN 0.359 nan 8.230 nan 0.000 0.457 138 N N 1.582 120.058 118.700 -0.373 0.000 2.244 138 N HA -0.158 4.582 4.740 0.000 0.000 0.183 138 N C 1.215 176.609 175.510 -0.193 0.000 1.016 138 N CA 1.243 54.129 53.050 -0.275 0.000 0.866 138 N CB 0.023 38.334 38.487 -0.293 0.000 0.980 138 N HN 0.521 nan 8.380 nan 0.000 0.430 139 K N -0.074 120.207 120.400 -0.197 0.000 2.592 139 K HA 0.286 4.606 4.320 0.000 0.000 0.203 139 K C -0.328 176.182 176.600 -0.150 0.000 1.070 139 K CA -0.469 55.738 56.287 -0.135 0.000 1.062 139 K CB 0.741 33.190 32.500 -0.084 0.000 0.814 139 K HN -0.304 nan 8.250 nan 0.000 0.502 140 R N 1.402 121.760 120.500 -0.237 0.000 3.358 140 R HA -0.168 4.172 4.340 0.000 0.000 0.248 140 R C -0.834 175.383 176.300 -0.139 0.000 0.981 140 R CA 0.921 56.896 56.100 -0.208 0.000 0.662 140 R CB -2.125 28.168 30.300 -0.011 0.000 1.037 140 R HN 0.594 nan 8.270 nan 0.000 0.460 141 Q N 0.068 119.699 119.800 -0.281 0.000 2.342 141 Q HA 0.418 4.758 4.340 0.000 0.000 0.267 141 Q C -0.207 175.820 176.000 0.045 0.000 1.038 141 Q CA -1.230 54.553 55.803 -0.034 0.000 0.832 141 Q CB 2.142 30.873 28.738 -0.012 0.000 1.323 141 Q HN 0.103 nan 8.270 nan 0.000 0.448 142 L N 2.861 124.259 121.223 0.293 0.000 2.290 142 L HA 0.362 4.702 4.340 0.000 0.000 0.284 142 L C -0.487 176.508 176.870 0.208 0.000 1.078 142 L CA 0.040 55.121 54.840 0.403 0.000 0.815 142 L CB 0.494 42.791 42.059 0.398 0.000 1.162 142 L HN 0.531 nan 8.230 nan 0.000 0.435 143 I N 4.581 125.265 120.570 0.191 0.000 2.471 143 I HA 0.111 4.281 4.170 0.000 0.000 0.286 143 I C 0.879 177.042 176.117 0.077 0.000 1.079 143 I CA 0.201 61.566 61.300 0.108 0.000 1.398 143 I CB 0.801 38.850 38.000 0.082 0.000 1.403 143 I HN 0.786 nan 8.210 nan 0.000 0.530 144 T N 0.662 115.243 114.554 0.045 0.000 3.084 144 T HA 0.284 4.634 4.350 0.000 0.000 0.270 144 T C 0.345 175.043 174.700 -0.003 0.000 1.008 144 T CA -0.422 61.690 62.100 0.021 0.000 0.900 144 T CB -0.051 68.827 68.868 0.018 0.000 1.084 144 T HN 0.521 nan 8.240 nan 0.000 0.538 145 E N 2.057 122.253 120.200 -0.007 0.000 2.191 145 E HA 0.328 4.678 4.350 0.000 0.000 0.274 145 E C -0.484 176.090 176.600 -0.044 0.000 0.948 145 E CA -0.878 55.508 56.400 -0.023 0.000 0.802 145 E CB 0.784 30.476 29.700 -0.014 0.000 1.137 145 E HN 0.134 nan 8.360 nan 0.000 0.397 146 E N 1.882 122.045 120.200 -0.062 0.000 2.183 146 E HA -0.248 4.102 4.350 0.000 0.000 0.196 146 E C -0.597 175.933 176.600 -0.117 0.000 1.364 146 E CA 0.792 57.138 56.400 -0.089 0.000 0.700 146 E CB -1.201 28.454 29.700 -0.075 0.000 1.106 146 E HN 0.484 nan 8.360 nan 0.000 0.347 147 R N -0.103 120.324 120.500 -0.122 0.000 2.738 147 R HA 0.309 4.649 4.340 0.000 0.000 0.268 147 R C 1.247 177.393 176.300 -0.257 0.000 1.062 147 R CA -0.448 55.566 56.100 -0.143 0.000 1.158 147 R CB 0.529 30.775 30.300 -0.090 0.000 1.046 147 R HN 0.173 nan 8.270 nan 0.000 0.493 148 I N 3.326 123.702 120.570 -0.322 0.000 2.648 148 I HA 0.023 4.193 4.170 0.000 0.000 0.284 148 I C -1.755 174.099 176.117 -0.439 0.000 1.153 148 I CA -1.629 59.325 61.300 -0.577 0.000 1.426 148 I CB 0.454 38.079 38.000 -0.624 0.000 1.381 148 I HN 0.247 nan 8.210 nan 0.000 0.571 149 P HA 0.048 nan 4.420 nan 0.000 0.270 149 P C -0.827 176.338 177.300 -0.225 0.000 1.223 149 P CA -0.258 62.527 63.100 -0.525 0.000 0.785 149 P CB 0.365 31.351 31.700 -1.191 0.000 0.923 150 N N 2.485 121.122 118.700 -0.105 0.000 2.444 150 N HA 0.049 4.789 4.740 0.000 0.000 0.255 150 N C 0.423 176.029 175.510 0.160 0.000 1.255 150 N CA 0.213 53.253 53.050 -0.017 0.000 0.933 150 N CB -0.245 38.225 38.487 -0.028 0.000 1.143 150 N HN 0.416 nan 8.380 nan 0.000 0.453 151 N N -1.131 117.641 118.700 0.120 0.000 2.776 151 N HA -0.152 4.588 4.740 0.000 0.000 0.250 151 N C -0.805 174.880 175.510 0.291 0.000 1.112 151 N CA 0.693 53.843 53.050 0.166 0.000 0.733 151 N CB -1.736 36.843 38.487 0.152 0.000 1.097 151 N HN 0.478 nan 8.380 nan 0.000 0.558 152 T N 0.984 115.735 114.554 0.328 0.000 2.870 152 T HA 0.093 4.443 4.350 0.000 0.000 0.300 152 T C 1.746 176.621 174.700 0.292 0.000 0.989 152 T CA 0.110 62.422 62.100 0.353 0.000 1.139 152 T CB 1.125 70.062 68.868 0.115 0.000 0.920 152 T HN 0.160 nan 8.240 nan 0.000 0.537 153 Q N 1.867 121.832 119.800 0.274 0.000 2.187 153 Q HA 0.105 4.445 4.340 0.000 0.000 0.199 153 Q C 0.217 176.460 176.000 0.405 0.000 0.957 153 Q CA 0.627 56.612 55.803 0.304 0.000 0.857 153 Q CB 0.580 29.491 28.738 0.289 0.000 0.929 153 Q HN 0.696 nan 8.270 nan 0.000 0.453 154 W N -0.222 121.089 121.300 0.019 0.000 3.571 154 W HA 0.420 5.080 4.660 0.000 0.000 0.294 154 W C -2.378 174.050 176.519 -0.151 0.000 1.257 154 W CA -0.585 56.711 57.345 -0.081 0.000 1.206 154 W CB 1.109 30.470 29.460 -0.164 0.000 1.325 154 W HN -0.370 nan 8.180 nan 0.000 0.546 155 V N 3.723 123.034 119.914 -1.005 0.000 2.709 155 V HA 0.677 4.797 4.120 0.000 0.000 0.308 155 V C -0.165 175.426 176.094 -0.839 0.000 1.062 155 V CA -0.630 61.195 62.300 -0.791 0.000 0.901 155 V CB 1.962 33.200 31.823 -0.976 0.000 1.003 155 V HN 0.492 nan 8.190 nan 0.000 0.425 156 T N -0.419 113.917 114.554 -0.364 0.000 3.032 156 T HA 0.557 4.907 4.350 0.000 0.000 0.312 156 T C -0.988 173.758 174.700 0.077 0.000 1.078 156 T CA -0.616 61.428 62.100 -0.094 0.000 1.028 156 T CB 0.892 69.916 68.868 0.260 0.000 1.091 156 T HN 0.474 nan 8.240 nan 0.000 0.457 157 W N 2.371 123.699 121.300 0.046 0.000 2.126 157 W HA 0.452 5.112 4.660 0.000 0.000 0.346 157 W C 1.201 177.535 176.519 -0.307 0.000 1.279 157 W CA -0.456 56.854 57.345 -0.058 0.000 1.259 157 W CB 0.649 30.086 29.460 -0.038 0.000 1.133 157 W HN 0.900 nan 8.180 nan 0.000 0.592 158 S N 1.943 117.388 115.700 -0.425 0.000 2.600 158 S HA 0.112 4.582 4.470 0.000 0.000 0.265 158 S C -1.462 172.902 174.600 -0.395 0.000 1.325 158 S CA -0.998 56.478 58.200 -1.205 0.000 1.002 158 S CB 0.808 63.263 63.200 -1.241 0.000 0.921 158 S HN 0.414 nan 8.310 nan 0.000 0.554 159 P HA 0.088 nan 4.420 nan 0.000 0.229 159 P C -0.173 177.087 177.300 -0.066 0.000 1.160 159 P CA 0.562 63.627 63.100 -0.058 0.000 0.777 159 P CB -0.016 31.694 31.700 0.017 0.000 0.814 160 V N -1.571 118.262 119.914 -0.136 0.000 3.007 160 V HA 0.652 4.772 4.120 0.000 0.000 0.311 160 V C 0.733 176.739 176.094 -0.147 0.000 1.120 160 V CA -0.021 62.219 62.300 -0.100 0.000 0.980 160 V CB 1.079 32.857 31.823 -0.073 0.000 1.033 160 V HN 0.419 nan 8.190 nan 0.000 0.429 161 G N 2.298 111.037 108.800 -0.101 0.000 2.509 161 G HA2 -0.188 3.772 3.960 0.000 0.000 0.259 161 G HA3 -0.188 3.772 3.960 0.000 0.000 0.259 161 G C 0.091 174.955 174.900 -0.060 0.000 1.169 161 G CA 0.569 45.595 45.100 -0.123 0.000 0.953 161 G HN 1.933 nan 8.290 nan 0.000 0.563 162 H N -0.409 118.668 119.070 0.012 0.000 3.038 162 H HA 0.396 4.952 4.556 0.000 0.000 0.238 162 H C 0.368 175.874 175.328 0.297 0.000 1.246 162 H CA -0.059 56.063 56.048 0.125 0.000 0.966 162 H CB -0.284 29.614 29.762 0.227 0.000 2.394 162 H HN 0.543 nan 8.280 nan 0.000 0.633 163 K N 1.450 121.863 120.400 0.022 0.000 2.180 163 K HA 0.501 4.821 4.320 0.000 0.000 0.251 163 K C -0.374 176.312 176.600 0.143 0.000 1.014 163 K CA -0.317 55.973 56.287 0.005 0.000 0.913 163 K CB 1.391 33.724 32.500 -0.280 0.000 1.008 163 K HN 0.110 nan 8.250 nan 0.000 0.490 164 L N 0.552 121.891 121.223 0.193 0.000 2.422 164 L HA 0.530 4.870 4.340 0.000 0.000 0.264 164 L C -1.238 175.869 176.870 0.395 0.000 0.984 164 L CA -0.809 54.125 54.840 0.158 0.000 0.819 164 L CB 2.228 44.232 42.059 -0.092 0.000 1.330 164 L HN 0.708 nan 8.230 nan 0.000 0.410 165 A N 2.622 125.685 122.820 0.404 0.000 2.359 165 A HA 0.800 5.120 4.320 0.000 0.000 0.303 165 A C -1.559 176.110 177.584 0.142 0.000 1.066 165 A CA -0.373 51.809 52.037 0.242 0.000 0.730 165 A CB 1.000 20.070 19.000 0.116 0.000 1.211 165 A HN 0.636 nan 8.150 nan 0.000 0.439 166 Y N -0.221 120.056 120.300 -0.038 0.000 2.638 166 Y HA 0.826 5.376 4.550 0.000 0.000 0.339 166 Y C -1.110 174.812 175.900 0.035 0.000 1.084 166 Y CA -1.713 56.344 58.100 -0.072 0.000 1.068 166 Y CB 1.200 39.541 38.460 -0.200 0.000 1.294 166 Y HN 0.373 nan 8.280 nan 0.000 0.480 167 V N 1.647 121.697 119.914 0.226 0.000 2.540 167 V HA 0.369 4.489 4.120 0.000 0.000 0.302 167 V C -1.575 174.733 176.094 0.357 0.000 1.035 167 V CA -0.652 61.757 62.300 0.182 0.000 0.873 167 V CB 1.445 33.315 31.823 0.078 0.000 0.992 167 V HN 0.871 nan 8.190 nan 0.000 0.428 168 W N 4.866 126.248 121.300 0.138 0.000 3.042 168 W HA 0.466 5.126 4.660 0.000 0.000 0.337 168 W C 0.287 176.857 176.519 0.085 0.000 1.086 168 W CA -0.659 56.742 57.345 0.094 0.000 1.236 168 W CB 1.285 30.750 29.460 0.009 0.000 1.381 168 W HN 0.784 nan 8.180 nan 0.000 0.472 169 N N 5.707 124.045 118.700 -0.603 0.000 2.725 169 N HA -0.347 4.393 4.740 0.000 0.000 0.251 169 N C 0.057 175.422 175.510 -0.242 0.000 1.031 169 N CA 1.032 53.743 53.050 -0.565 0.000 0.720 169 N CB -1.090 36.868 38.487 -0.882 0.000 0.930 169 N HN 0.869 nan 8.380 nan 0.000 0.543 170 N N -1.512 117.107 118.700 -0.135 0.000 2.713 170 N HA -0.181 4.559 4.740 0.000 0.000 0.251 170 N C -1.283 174.168 175.510 -0.100 0.000 1.117 170 N CA 1.031 54.028 53.050 -0.088 0.000 0.770 170 N CB -0.328 38.061 38.487 -0.163 0.000 1.137 170 N HN 0.447 nan 8.380 nan 0.000 0.566 171 D N 0.389 120.742 120.400 -0.079 0.000 2.457 171 D HA 0.466 5.106 4.640 0.000 0.000 0.240 171 D C 0.064 176.210 176.300 -0.257 0.000 1.041 171 D CA -0.422 53.442 54.000 -0.225 0.000 0.861 171 D CB 1.600 42.220 40.800 -0.300 0.000 1.394 171 D HN 0.016 nan 8.370 nan 0.000 0.473 172 I N 1.986 122.240 120.570 -0.527 0.000 2.395 172 I HA 0.191 4.361 4.170 0.000 0.000 0.289 172 I C -0.611 175.050 176.117 -0.761 0.000 1.023 172 I CA -0.289 60.683 61.300 -0.547 0.000 1.350 172 I CB 0.439 38.030 38.000 -0.683 0.000 1.409 172 I HN 0.147 nan 8.210 nan 0.000 0.507 173 Y N 4.416 124.323 120.300 -0.656 0.000 2.499 173 Y HA 0.646 5.196 4.550 0.000 0.000 0.347 173 Y C -0.285 175.287 175.900 -0.547 0.000 0.987 173 Y CA -0.917 56.762 58.100 -0.703 0.000 1.044 173 Y CB 2.027 39.807 38.460 -1.134 0.000 1.245 173 Y HN 0.121 nan 8.280 nan 0.000 0.461 174 V N 2.840 122.702 119.914 -0.087 0.000 2.656 174 V HA 0.465 4.585 4.120 0.000 0.000 0.307 174 V C -0.802 175.446 176.094 0.257 0.000 1.051 174 V CA -1.333 61.022 62.300 0.091 0.000 0.893 174 V CB 2.056 33.929 31.823 0.084 0.000 0.999 174 V HN 0.611 nan 8.190 nan 0.000 0.426 175 K N 3.658 124.224 120.400 0.278 0.000 2.450 175 K HA 0.503 4.823 4.320 0.000 0.000 0.257 175 K C 0.290 177.034 176.600 0.240 0.000 0.953 175 K CA -0.703 55.738 56.287 0.257 0.000 0.844 175 K CB 1.521 34.133 32.500 0.188 0.000 1.103 175 K HN 0.471 nan 8.250 nan 0.000 0.429 176 I N 1.390 122.113 120.570 0.256 0.000 2.406 176 I HA -0.030 4.140 4.170 0.000 0.000 0.249 176 I C 0.392 176.603 176.117 0.157 0.000 1.122 176 I CA 1.301 62.706 61.300 0.175 0.000 1.431 176 I CB -0.187 37.916 38.000 0.171 0.000 1.087 176 I HN 0.548 nan 8.210 nan 0.000 0.424 177 E N 0.198 120.498 120.200 0.165 0.000 2.210 177 E HA 0.264 4.614 4.350 0.000 0.000 0.266 177 E C -1.829 174.792 176.600 0.035 0.000 0.883 177 E CA -1.942 54.546 56.400 0.146 0.000 0.761 177 E CB 2.138 31.917 29.700 0.132 0.000 1.156 177 E HN -0.128 nan 8.360 nan 0.000 0.412 178 P HA -0.205 nan 4.420 nan 0.000 0.217 178 P C 0.851 178.072 177.300 -0.131 0.000 1.151 178 P CA 1.453 64.420 63.100 -0.221 0.000 0.849 178 P CB 0.310 31.611 31.700 -0.665 0.000 0.787 179 N N -1.406 117.239 118.700 -0.091 0.000 2.299 179 N HA 0.005 4.745 4.740 0.000 0.000 0.187 179 N C 0.329 175.826 175.510 -0.021 0.000 1.099 179 N CA 0.227 53.253 53.050 -0.041 0.000 0.867 179 N CB -0.235 38.245 38.487 -0.012 0.000 0.974 179 N HN 0.183 nan 8.380 nan 0.000 0.477 180 L N 1.587 122.806 121.223 -0.006 0.000 2.399 180 L HA 0.449 4.789 4.340 0.000 0.000 0.265 180 L C -2.043 174.809 176.870 -0.030 0.000 1.089 180 L CA -2.148 52.691 54.840 -0.002 0.000 0.802 180 L CB 1.079 43.161 42.059 0.039 0.000 1.180 180 L HN -0.107 nan 8.230 nan 0.000 0.454 181 P HA 0.045 nan 4.420 nan 0.000 0.268 181 P C -0.750 176.439 177.300 -0.186 0.000 1.205 181 P CA -0.179 62.846 63.100 -0.125 0.000 0.771 181 P CB 0.817 32.426 31.700 -0.152 0.000 0.858 182 S N 1.741 117.379 115.700 -0.103 0.000 2.614 182 S HA 0.295 4.765 4.470 0.000 0.000 0.265 182 S C -0.338 174.156 174.600 -0.177 0.000 1.303 182 S CA -0.041 58.147 58.200 -0.020 0.000 1.000 182 S CB -0.067 63.218 63.200 0.143 0.000 0.935 182 S HN 0.323 nan 8.310 nan 0.000 0.551 183 Y N 0.682 121.010 120.300 0.047 0.000 2.328 183 Y HA 0.403 4.953 4.550 0.000 0.000 0.337 183 Y C 0.648 176.455 175.900 -0.156 0.000 0.966 183 Y CA -0.681 57.418 58.100 -0.001 0.000 1.136 183 Y CB 0.809 39.270 38.460 0.003 0.000 1.170 183 Y HN 0.481 nan 8.280 nan 0.000 0.470 184 R N 3.498 123.901 120.500 -0.161 0.000 2.438 184 R HA 0.211 4.551 4.340 0.000 0.000 0.287 184 R C 0.078 175.910 176.300 -0.780 0.000 1.077 184 R CA 0.032 55.647 56.100 -0.809 0.000 1.034 184 R CB 0.463 30.104 30.300 -1.099 0.000 0.993 184 R HN 0.774 nan 8.270 nan 0.000 0.459 185 I N 1.952 121.992 120.570 -0.883 0.000 3.339 185 I HA 0.001 4.171 4.170 0.000 0.000 0.285 185 I C 0.927 176.694 176.117 -0.584 0.000 1.201 185 I CA 0.805 61.767 61.300 -0.564 0.000 1.434 185 I CB -0.293 37.400 38.000 -0.512 0.000 1.152 185 I HN 0.621 nan 8.210 nan 0.000 0.443 186 T N -3.661 110.376 114.554 -0.862 0.000 2.893 186 T HA 0.391 4.741 4.350 0.000 0.000 0.291 186 T C -0.198 174.120 174.700 -0.637 0.000 1.028 186 T CA -0.516 61.270 62.100 -0.523 0.000 0.995 186 T CB 2.090 70.684 68.868 -0.457 0.000 1.051 186 T HN 0.205 nan 8.240 nan 0.000 0.470 187 W N 1.157 122.347 121.300 -0.184 0.000 2.702 187 W HA 0.129 4.789 4.660 0.000 0.000 0.369 187 W C 1.414 177.879 176.519 -0.090 0.000 0.987 187 W CA -0.057 57.216 57.345 -0.121 0.000 1.702 187 W CB 0.560 29.968 29.460 -0.087 0.000 1.138 187 W HN 0.955 nan 8.180 nan 0.000 0.552 188 T N -2.513 112.078 114.554 0.062 0.000 3.107 188 T HA 0.175 4.525 4.350 0.000 0.000 0.249 188 T C 1.214 175.903 174.700 -0.018 0.000 1.096 188 T CA 0.149 62.269 62.100 0.033 0.000 1.012 188 T CB 0.139 69.023 68.868 0.028 0.000 0.977 188 T HN -0.037 nan 8.240 nan 0.000 0.527 189 G N 1.298 110.057 108.800 -0.068 0.000 2.265 189 G HA2 0.332 4.292 3.960 0.000 0.000 0.240 189 G HA3 0.332 4.292 3.960 0.000 0.000 0.240 189 G C -0.603 174.236 174.900 -0.102 0.000 1.270 189 G CA -0.323 44.716 45.100 -0.102 0.000 0.901 189 G HN 0.574 nan 8.290 nan 0.000 0.507 190 K N 1.797 122.111 120.400 -0.144 0.000 2.571 190 K HA 0.167 4.487 4.320 0.000 0.000 0.252 190 K C -0.296 176.177 176.600 -0.212 0.000 0.956 190 K CA -0.683 55.521 56.287 -0.138 0.000 0.822 190 K CB 1.739 34.191 32.500 -0.080 0.000 1.286 190 K HN 0.638 nan 8.250 nan 0.000 0.439 191 E N 3.141 123.231 120.200 -0.184 0.000 2.652 191 E HA -0.137 4.213 4.350 0.000 0.000 0.255 191 E C -0.534 175.969 176.600 -0.161 0.000 0.952 191 E CA 0.904 57.193 56.400 -0.185 0.000 0.947 191 E CB 0.262 29.887 29.700 -0.125 0.000 0.912 191 E HN 0.608 nan 8.360 nan 0.000 0.489 192 D N 2.669 122.956 120.400 -0.187 0.000 3.070 192 D HA -0.241 4.399 4.640 0.000 0.000 0.220 192 D C 0.517 176.814 176.300 -0.007 0.000 1.176 192 D CA 1.209 55.197 54.000 -0.020 0.000 0.924 192 D CB -0.421 40.412 40.800 0.055 0.000 1.124 192 D HN 0.415 nan 8.370 nan 0.000 0.411 193 I N -1.079 119.396 120.570 -0.159 0.000 3.623 193 I HA 0.115 4.285 4.170 0.000 0.000 0.253 193 I C 0.818 176.940 176.117 0.009 0.000 1.144 193 I CA 0.420 61.708 61.300 -0.019 0.000 1.461 193 I CB 0.202 38.191 38.000 -0.018 0.000 1.575 193 I HN -0.122 nan 8.210 nan 0.000 0.445 194 I N 1.589 122.086 120.570 -0.121 0.000 2.436 194 I HA 0.279 4.449 4.170 0.000 0.000 0.289 194 I C -1.255 174.800 176.117 -0.104 0.000 1.010 194 I CA -0.521 60.784 61.300 0.009 0.000 1.098 194 I CB 1.272 39.284 38.000 0.021 0.000 1.266 194 I HN 0.022 nan 8.210 nan 0.000 0.434 195 Y N 4.678 125.065 120.300 0.146 0.000 2.335 195 Y HA 0.428 4.978 4.550 0.000 0.000 0.338 195 Y C 0.377 176.345 175.900 0.114 0.000 0.977 195 Y CA -0.797 57.391 58.100 0.148 0.000 1.114 195 Y CB 1.263 39.873 38.460 0.250 0.000 1.182 195 Y HN 0.405 nan 8.280 nan 0.000 0.463 196 N N 1.735 120.512 118.700 0.128 0.000 2.407 196 N HA 0.367 5.107 4.740 0.000 0.000 0.277 196 N C 0.708 176.165 175.510 -0.090 0.000 0.995 196 N CA 0.349 53.395 53.050 -0.007 0.000 0.903 196 N CB 1.978 40.357 38.487 -0.180 0.000 1.218 196 N HN 0.957 nan 8.380 nan 0.000 0.487 197 G N 1.490 110.245 108.800 -0.075 0.000 2.184 197 G HA2 -0.253 3.707 3.960 0.000 0.000 0.264 197 G HA3 -0.253 3.707 3.960 0.000 0.000 0.264 197 G C 0.116 174.864 174.900 -0.253 0.000 0.975 197 G CA 0.850 45.829 45.100 -0.201 0.000 0.642 197 G HN 0.665 nan 8.290 nan 0.000 0.536 198 I N -1.997 118.508 120.570 -0.109 0.000 2.865 198 I HA 0.782 4.952 4.170 0.000 0.000 0.302 198 I C 0.267 176.408 176.117 0.040 0.000 1.140 198 I CA -0.657 60.476 61.300 -0.279 0.000 1.021 198 I CB 1.946 39.710 38.000 -0.393 0.000 1.233 198 I HN 0.174 nan 8.210 nan 0.000 0.427 199 T N -0.362 114.132 114.554 -0.100 0.000 2.899 199 T HA 0.350 4.700 4.350 0.000 0.000 0.284 199 T C -0.103 174.363 174.700 -0.389 0.000 1.004 199 T CA -0.605 61.313 62.100 -0.302 0.000 1.043 199 T CB 1.272 70.063 68.868 -0.128 0.000 1.013 199 T HN 0.767 nan 8.240 nan 0.000 0.518 200 D N 0.216 120.141 120.400 -0.792 0.000 2.440 200 D HA 0.023 4.663 4.640 0.000 0.000 0.269 200 D C 0.990 177.159 176.300 -0.217 0.000 1.249 200 D CA -1.043 52.452 54.000 -0.842 0.000 1.055 200 D CB 0.020 40.343 40.800 -0.794 0.000 1.104 200 D HN 0.702 nan 8.370 nan 0.000 0.561 201 W N -0.087 121.107 121.300 -0.176 0.000 2.333 201 W HA -0.192 4.468 4.660 0.000 0.000 0.316 201 W C 2.157 178.535 176.519 -0.235 0.000 1.215 201 W CA 2.178 59.425 57.345 -0.163 0.000 1.278 201 W CB -0.434 28.892 29.460 -0.225 0.000 1.154 201 W HN 0.174 nan 8.180 nan 0.000 0.486 202 V N -0.141 119.798 119.914 0.042 0.000 2.548 202 V HA -0.268 3.852 4.120 0.000 0.000 0.249 202 V C 1.827 177.665 176.094 -0.426 0.000 1.055 202 V CA 1.843 64.034 62.300 -0.182 0.000 1.065 202 V CB -0.717 31.026 31.823 -0.135 0.000 0.681 202 V HN 0.286 nan 8.190 nan 0.000 0.462 203 Y N 0.642 120.659 120.300 -0.471 0.000 2.242 203 Y HA -0.161 4.389 4.550 0.000 0.000 0.291 203 Y C 2.574 178.236 175.900 -0.397 0.000 1.137 203 Y CA 2.144 59.897 58.100 -0.579 0.000 1.181 203 Y CB -0.011 37.925 38.460 -0.874 0.000 0.989 203 Y HN 0.374 nan 8.280 nan 0.000 0.527 204 E N 0.174 120.270 120.200 -0.173 0.000 2.028 204 E HA -0.274 4.076 4.350 0.000 0.000 0.191 204 E C 2.021 178.539 176.600 -0.137 0.000 0.988 204 E CA 1.492 57.860 56.400 -0.053 0.000 0.799 204 E CB 0.007 29.693 29.700 -0.023 0.000 0.755 204 E HN 0.362 nan 8.360 nan 0.000 0.447 205 E N 0.175 120.091 120.200 -0.475 0.000 2.046 205 E HA -0.154 4.196 4.350 0.000 0.000 0.190 205 E C 1.760 178.203 176.600 -0.262 0.000 0.982 205 E CA 1.547 57.667 56.400 -0.466 0.000 0.800 205 E CB 0.165 29.248 29.700 -1.029 0.000 0.756 205 E HN 0.234 nan 8.360 nan 0.000 0.449 206 E N -0.664 119.346 120.200 -0.317 0.000 2.244 206 E HA 0.061 4.411 4.350 0.000 0.000 0.196 206 E C 2.188 178.631 176.600 -0.262 0.000 0.939 206 E CA 0.591 56.865 56.400 -0.210 0.000 0.884 206 E CB 0.143 29.720 29.700 -0.205 0.000 0.850 206 E HN 0.171 nan 8.360 nan 0.000 0.481 207 V N 0.730 120.374 119.914 -0.451 0.000 2.300 207 V HA -0.112 4.008 4.120 0.000 0.000 0.241 207 V C 1.913 177.872 176.094 -0.225 0.000 1.034 207 V CA 1.478 63.450 62.300 -0.546 0.000 1.021 207 V CB -0.400 30.754 31.823 -1.114 0.000 0.662 207 V HN 0.059 nan 8.190 nan 0.000 0.458 208 F N -0.061 119.869 119.950 -0.033 0.000 2.582 208 F HA 0.293 4.820 4.527 0.000 0.000 0.290 208 F C 1.695 177.495 175.800 -0.001 0.000 1.115 208 F CA 0.114 58.134 58.000 0.034 0.000 1.445 208 F CB -0.701 38.362 39.000 0.105 0.000 1.126 208 F HN 0.101 nan 8.300 nan 0.000 0.574 209 S N 0.070 115.862 115.700 0.155 0.000 3.698 209 S HA 0.063 4.533 4.470 0.000 0.000 0.338 209 S C -0.012 174.530 174.600 -0.097 0.000 1.089 209 S CA 0.403 58.669 58.200 0.110 0.000 0.991 209 S CB -1.734 61.521 63.200 0.091 0.000 0.909 209 S HN 0.703 nan 8.310 nan 0.000 0.485 210 A N -0.638 122.170 122.820 -0.020 0.000 2.605 210 A HA 0.701 5.021 4.320 0.000 0.000 0.294 210 A C -0.352 177.260 177.584 0.048 0.000 1.062 210 A CA -0.390 51.542 52.037 -0.175 0.000 0.682 210 A CB 0.394 19.323 19.000 -0.117 0.000 1.278 210 A HN 0.428 nan 8.150 nan 0.000 0.410 211 Y N 1.809 121.974 120.300 -0.226 0.000 2.301 211 Y HA 0.214 4.764 4.550 0.000 0.000 0.295 211 Y C 1.554 177.180 175.900 -0.456 0.000 1.119 211 Y CA 1.299 59.246 58.100 -0.255 0.000 1.162 211 Y CB -0.155 38.152 38.460 -0.256 0.000 1.046 211 Y HN 0.696 nan 8.280 nan 0.000 0.538 212 S N 0.451 115.571 115.700 -0.967 0.000 2.560 212 S HA 0.364 4.834 4.470 0.000 0.000 0.284 212 S C 0.452 174.573 174.600 -0.798 0.000 1.327 212 S CA 0.218 57.682 58.200 -1.225 0.000 1.055 212 S CB 0.419 62.791 63.200 -1.381 0.000 0.868 212 S HN 0.501 nan 8.310 nan 0.000 0.506 213 A N 4.226 126.582 122.820 -0.774 0.000 2.643 213 A HA 0.504 4.824 4.320 0.000 0.000 0.295 213 A C -0.585 176.292 177.584 -1.179 0.000 1.065 213 A CA -0.584 51.029 52.037 -0.707 0.000 0.986 213 A CB -0.375 18.663 19.000 0.065 0.000 1.212 213 A HN 0.840 nan 8.150 nan 0.000 0.516 214 L N -5.066 115.298 121.223 -1.431 0.000 2.401 214 L HA 0.891 5.231 4.340 0.000 0.000 0.266 214 L C -1.334 174.907 176.870 -1.049 0.000 0.991 214 L CA -1.071 53.189 54.840 -0.967 0.000 0.818 214 L CB 1.126 42.901 42.059 -0.474 0.000 1.321 214 L HN 0.193 nan 8.230 nan 0.000 0.413 215 W N 1.870 123.209 121.300 0.064 0.000 2.631 215 W HA 0.315 4.975 4.660 0.000 0.000 0.321 215 W C -1.447 175.256 176.519 0.306 0.000 1.004 215 W CA -0.808 56.675 57.345 0.230 0.000 1.291 215 W CB 1.361 31.011 29.460 0.316 0.000 1.300 215 W HN 0.626 nan 8.180 nan 0.000 0.422 216 W N 2.474 123.938 121.300 0.273 0.000 2.181 216 W HA 0.186 4.846 4.660 0.000 0.000 0.335 216 W C 1.365 177.711 176.519 -0.288 0.000 1.310 216 W CA 0.486 57.870 57.345 0.064 0.000 1.226 216 W CB 0.725 30.205 29.460 0.034 0.000 1.155 216 W HN 0.199 nan 8.180 nan 0.000 0.565 217 S N 3.683 119.122 115.700 -0.435 0.000 2.593 217 S HA 0.140 4.610 4.470 0.000 0.000 0.269 217 S C -1.259 173.057 174.600 -0.473 0.000 1.334 217 S CA -1.062 56.297 58.200 -1.401 0.000 1.015 217 S CB 1.084 63.513 63.200 -1.284 0.000 0.912 217 S HN 0.397 nan 8.310 nan 0.000 0.541 218 P HA -0.239 nan 4.420 nan 0.000 0.218 218 P C 0.915 178.182 177.300 -0.055 0.000 1.154 218 P CA 1.893 64.950 63.100 -0.072 0.000 0.872 218 P CB -0.309 31.403 31.700 0.021 0.000 0.790 219 N N -1.315 117.341 118.700 -0.073 0.000 2.280 219 N HA 0.043 4.783 4.740 0.000 0.000 0.192 219 N C 1.300 176.751 175.510 -0.098 0.000 1.109 219 N CA 0.900 53.912 53.050 -0.063 0.000 0.855 219 N CB -0.548 37.916 38.487 -0.038 0.000 0.974 219 N HN 0.261 nan 8.380 nan 0.000 0.482 220 G N -0.583 108.165 108.800 -0.087 0.000 2.157 220 G HA2 -0.301 3.659 3.960 0.000 0.000 0.248 220 G HA3 -0.301 3.659 3.960 0.000 0.000 0.248 220 G C 0.837 175.779 174.900 0.071 0.000 0.979 220 G CA 0.702 45.777 45.100 -0.042 0.000 0.650 220 G HN 0.386 nan 8.290 nan 0.000 0.529 221 T N 0.015 114.536 114.554 -0.056 0.000 2.732 221 T HA 0.241 4.591 4.350 0.000 0.000 0.261 221 T C 0.901 175.474 174.700 -0.211 0.000 1.040 221 T CA 1.228 63.203 62.100 -0.208 0.000 1.145 221 T CB -0.082 68.523 68.868 -0.438 0.000 0.866 221 T HN 0.269 nan 8.240 nan 0.000 0.427 222 F N 0.282 120.252 119.950 0.035 0.000 2.403 222 F HA 0.590 5.117 4.527 0.000 0.000 0.326 222 F C 0.036 175.871 175.800 0.058 0.000 1.081 222 F CA -1.377 56.671 58.000 0.080 0.000 1.041 222 F CB 0.919 40.037 39.000 0.197 0.000 1.234 222 F HN -0.079 nan 8.300 nan 0.000 0.503 223 L N 2.362 123.728 121.223 0.237 0.000 2.406 223 L HA 0.687 5.027 4.340 0.000 0.000 0.270 223 L C -0.938 176.009 176.870 0.127 0.000 0.982 223 L CA -0.529 54.266 54.840 -0.075 0.000 0.843 223 L CB 1.030 42.800 42.059 -0.482 0.000 1.225 223 L HN 0.779 nan 8.230 nan 0.000 0.412 224 A N 4.669 127.645 122.820 0.259 0.000 2.295 224 A HA 0.776 5.096 4.320 0.000 0.000 0.318 224 A C -1.354 176.302 177.584 0.121 0.000 1.134 224 A CA -0.270 51.821 52.037 0.089 0.000 0.827 224 A CB 0.967 20.125 19.000 0.264 0.000 1.136 224 A HN 0.733 nan 8.150 nan 0.000 0.493 225 Y N -2.053 118.071 120.300 -0.294 0.000 2.641 225 Y HA 0.719 5.269 4.550 0.000 0.000 0.333 225 Y C -0.428 175.382 175.900 -0.150 0.000 1.174 225 Y CA -0.811 57.196 58.100 -0.154 0.000 1.057 225 Y CB 0.711 39.029 38.460 -0.237 0.000 1.322 225 Y HN 0.971 nan 8.280 nan 0.000 0.457 226 A N 2.186 125.133 122.820 0.212 0.000 2.311 226 A HA 0.720 5.040 4.320 0.000 0.000 0.334 226 A C -1.230 176.306 177.584 -0.080 0.000 1.139 226 A CA -0.884 51.175 52.037 0.036 0.000 0.830 226 A CB 1.834 20.869 19.000 0.059 0.000 1.234 226 A HN 0.819 nan 8.150 nan 0.000 0.483 227 Q N 0.808 120.461 119.800 -0.244 0.000 2.310 227 Q HA 0.586 4.926 4.340 0.000 0.000 0.270 227 Q C -2.105 173.661 176.000 -0.389 0.000 1.025 227 Q CA -0.348 55.385 55.803 -0.117 0.000 0.772 227 Q CB 1.019 29.894 28.738 0.230 0.000 1.253 227 Q HN 0.583 nan 8.270 nan 0.000 0.450 228 F N 2.562 122.612 119.950 0.166 0.000 2.436 228 F HA 0.382 4.909 4.527 0.000 0.000 0.340 228 F C 0.432 176.378 175.800 0.243 0.000 1.113 228 F CA -0.899 57.178 58.000 0.130 0.000 1.022 228 F CB 1.329 40.326 39.000 -0.005 0.000 1.128 228 F HN 0.432 nan 8.300 nan 0.000 0.466 229 N N 2.471 121.376 118.700 0.342 0.000 2.558 229 N HA 0.187 4.927 4.740 0.000 0.000 0.242 229 N C -0.760 174.912 175.510 0.270 0.000 0.979 229 N CA -0.267 52.945 53.050 0.270 0.000 0.931 229 N CB 0.800 39.395 38.487 0.181 0.000 1.122 229 N HN 0.552 nan 8.380 nan 0.000 0.508 230 D N 1.345 121.931 120.400 0.310 0.000 2.388 230 D HA 0.106 4.746 4.640 0.000 0.000 0.221 230 D C 1.261 177.672 176.300 0.184 0.000 1.133 230 D CA 0.151 54.312 54.000 0.269 0.000 0.831 230 D CB 0.542 41.566 40.800 0.374 0.000 0.962 230 D HN 0.451 nan 8.370 nan 0.000 0.502 231 T N 0.215 114.857 114.554 0.146 0.000 2.620 231 T HA -0.251 4.099 4.350 0.000 0.000 0.267 231 T C 1.592 176.344 174.700 0.087 0.000 1.044 231 T CA 1.415 63.575 62.100 0.100 0.000 1.161 231 T CB -0.090 68.827 68.868 0.082 0.000 0.862 231 T HN 0.125 nan 8.240 nan 0.000 0.438 232 E N 0.189 120.442 120.200 0.089 0.000 2.465 232 E HA 0.149 4.499 4.350 0.000 0.000 0.191 232 E C -0.401 176.247 176.600 0.080 0.000 1.053 232 E CA -0.154 56.290 56.400 0.073 0.000 0.869 232 E CB 0.266 30.004 29.700 0.062 0.000 0.977 232 E HN 0.196 nan 8.360 nan 0.000 0.483 233 V N 3.000 122.976 119.914 0.103 0.000 2.488 233 V HA 0.187 4.307 4.120 0.000 0.000 0.277 233 V C -2.041 174.112 176.094 0.097 0.000 1.046 233 V CA -1.745 60.620 62.300 0.109 0.000 0.986 233 V CB 0.856 32.763 31.823 0.140 0.000 0.989 233 V HN 0.116 nan 8.190 nan 0.000 0.475 234 P HA 0.176 nan 4.420 nan 0.000 0.268 234 P C -0.687 176.655 177.300 0.069 0.000 1.208 234 P CA -0.039 63.100 63.100 0.066 0.000 0.777 234 P CB 0.454 32.192 31.700 0.063 0.000 0.875 235 L N 2.566 123.807 121.223 0.030 0.000 2.309 235 L HA 0.473 4.813 4.340 0.000 0.000 0.282 235 L C 0.294 177.121 176.870 -0.072 0.000 1.036 235 L CA -0.978 53.863 54.840 0.002 0.000 0.806 235 L CB 1.077 43.132 42.059 -0.007 0.000 1.220 235 L HN 0.291 nan 8.230 nan 0.000 0.429 236 I N 2.319 122.801 120.570 -0.148 0.000 2.353 236 I HA 0.286 4.456 4.170 0.000 0.000 0.293 236 I C -0.406 175.573 176.117 -0.230 0.000 0.992 236 I CA 0.191 61.298 61.300 -0.321 0.000 1.268 236 I CB 0.940 38.488 38.000 -0.753 0.000 1.387 236 I HN 0.568 nan 8.210 nan 0.000 0.478 237 E N 7.292 127.378 120.200 -0.190 0.000 2.222 237 E HA 0.547 4.897 4.350 0.000 0.000 0.267 237 E C -1.787 174.763 176.600 -0.082 0.000 0.884 237 E CA -0.619 55.673 56.400 -0.180 0.000 0.764 237 E CB 2.132 31.747 29.700 -0.141 0.000 1.169 237 E HN 0.579 nan 8.360 nan 0.000 0.413 238 Y N -1.822 118.395 120.300 -0.139 0.000 2.609 238 Y HA 0.529 5.079 4.550 0.000 0.000 0.336 238 Y C -0.826 175.009 175.900 -0.109 0.000 1.129 238 Y CA -1.264 56.762 58.100 -0.124 0.000 1.040 238 Y CB 0.763 39.155 38.460 -0.113 0.000 1.310 238 Y HN 0.218 nan 8.280 nan 0.000 0.460 239 S N 1.953 117.643 115.700 -0.016 0.000 2.584 239 S HA 0.518 4.988 4.470 0.000 0.000 0.273 239 S C -1.409 173.063 174.600 -0.213 0.000 1.311 239 S CA -0.394 57.658 58.200 -0.246 0.000 1.034 239 S CB 0.649 63.541 63.200 -0.512 0.000 0.939 239 S HN 0.548 nan 8.310 nan 0.000 0.513 240 F N 2.072 121.774 119.950 -0.414 0.000 2.499 240 F HA 0.429 4.956 4.527 0.000 0.000 0.333 240 F C -0.286 175.304 175.800 -0.349 0.000 1.138 240 F CA -0.967 56.897 58.000 -0.226 0.000 0.945 240 F CB 0.774 39.746 39.000 -0.047 0.000 1.181 240 F HN 0.631 nan 8.300 nan 0.000 0.435 241 Y N 2.770 122.872 120.300 -0.330 0.000 2.420 241 Y HA 0.104 4.654 4.550 0.000 0.000 0.292 241 Y C 1.753 177.588 175.900 -0.109 0.000 1.119 241 Y CA 1.090 59.084 58.100 -0.177 0.000 1.229 241 Y CB -0.693 37.651 38.460 -0.193 0.000 1.026 241 Y HN 0.734 nan 8.280 nan 0.000 0.554 242 S N -0.418 115.221 115.700 -0.102 0.000 3.443 242 S HA -0.221 4.249 4.470 0.000 0.000 0.635 242 S C -0.482 174.164 174.600 0.076 0.000 2.555 242 S CA 0.276 58.546 58.200 0.115 0.000 2.778 242 S CB -1.244 62.108 63.200 0.253 0.000 0.331 242 S HN 0.455 nan 8.310 nan 0.000 1.765 243 D N 1.494 121.954 120.400 0.101 0.000 2.368 243 D HA 0.172 4.812 4.640 0.000 0.000 0.240 243 D C 1.395 177.725 176.300 0.049 0.000 1.169 243 D CA 0.324 54.364 54.000 0.066 0.000 0.906 243 D CB 0.290 41.131 40.800 0.067 0.000 1.187 243 D HN 0.628 nan 8.370 nan 0.000 0.435 244 E N 0.501 120.718 120.200 0.029 0.000 2.187 244 E HA -0.250 4.100 4.350 0.000 0.000 0.199 244 E C 1.639 178.250 176.600 0.018 0.000 1.004 244 E CA 1.499 57.908 56.400 0.015 0.000 0.813 244 E CB 0.123 29.826 29.700 0.005 0.000 0.736 244 E HN 0.453 nan 8.360 nan 0.000 0.468 245 S N 0.097 115.813 115.700 0.027 0.000 2.442 245 S HA -0.115 4.355 4.470 0.000 0.000 0.236 245 S C 1.129 175.749 174.600 0.033 0.000 1.007 245 S CA 0.168 58.384 58.200 0.026 0.000 0.965 245 S CB -0.241 62.978 63.200 0.032 0.000 0.773 245 S HN 0.257 nan 8.310 nan 0.000 0.504 246 L N 2.188 123.439 121.223 0.047 0.000 2.433 246 L HA 0.150 4.490 4.340 0.000 0.000 0.275 246 L C 1.610 178.500 176.870 0.033 0.000 1.128 246 L CA -0.028 54.848 54.840 0.060 0.000 0.875 246 L CB 1.013 43.124 42.059 0.086 0.000 1.171 246 L HN 0.430 nan 8.230 nan 0.000 0.463 247 Q N 4.000 123.815 119.800 0.025 0.000 2.049 247 Q HA -0.098 4.242 4.340 0.000 0.000 0.198 247 Q C -0.568 175.316 176.000 -0.194 0.000 0.971 247 Q CA 1.382 57.133 55.803 -0.086 0.000 0.833 247 Q CB 0.196 28.887 28.738 -0.078 0.000 0.896 247 Q HN 0.585 nan 8.270 nan 0.000 0.434 248 Y N 0.592 120.899 120.300 0.013 0.000 2.335 248 Y HA 0.382 4.932 4.550 0.000 0.000 0.338 248 Y C -2.041 173.855 175.900 -0.005 0.000 0.977 248 Y CA -2.861 55.241 58.100 0.002 0.000 1.114 248 Y CB 1.344 39.799 38.460 -0.009 0.000 1.182 248 Y HN 0.158 nan 8.280 nan 0.000 0.463 249 P HA 0.058 nan 4.420 nan 0.000 0.269 249 P C -0.733 176.559 177.300 -0.013 0.000 1.215 249 P CA -0.533 62.559 63.100 -0.013 0.000 0.780 249 P CB 0.729 32.331 31.700 -0.165 0.000 0.898 250 K N 0.934 121.319 120.400 -0.026 0.000 2.098 250 K HA 0.374 4.694 4.320 0.000 0.000 0.261 250 K C -0.735 175.812 176.600 -0.089 0.000 0.987 250 K CA -0.345 55.927 56.287 -0.025 0.000 0.916 250 K CB 0.597 33.107 32.500 0.017 0.000 1.039 250 K HN 0.319 nan 8.250 nan 0.000 0.455 251 T N 2.763 117.250 114.554 -0.112 0.000 2.756 251 T HA 0.245 4.595 4.350 0.000 0.000 0.290 251 T C -0.665 173.900 174.700 -0.223 0.000 0.985 251 T CA -0.620 61.379 62.100 -0.168 0.000 0.955 251 T CB 1.064 69.850 68.868 -0.137 0.000 0.930 251 T HN 0.286 nan 8.240 nan 0.000 0.451 252 V N 6.131 125.810 119.914 -0.392 0.000 2.546 252 V HA 0.512 4.632 4.120 0.000 0.000 0.284 252 V C 0.350 176.170 176.094 -0.457 0.000 1.050 252 V CA -0.703 61.311 62.300 -0.476 0.000 0.981 252 V CB 0.674 32.017 31.823 -0.801 0.000 0.990 252 V HN 0.764 nan 8.190 nan 0.000 0.474 253 R N 3.827 124.191 120.500 -0.226 0.000 2.502 253 R HA 0.762 5.102 4.340 0.000 0.000 0.300 253 R C -1.929 174.363 176.300 -0.013 0.000 0.984 253 R CA -0.594 55.422 56.100 -0.139 0.000 0.882 253 R CB 1.470 31.716 30.300 -0.091 0.000 1.180 253 R HN 0.359 nan 8.270 nan 0.000 0.444 254 V N 3.258 123.175 119.914 0.004 0.000 2.531 254 V HA 0.362 4.482 4.120 0.000 0.000 0.301 254 V C -2.377 173.788 176.094 0.117 0.000 1.034 254 V CA -2.402 59.972 62.300 0.122 0.000 0.865 254 V CB 2.353 34.239 31.823 0.104 0.000 0.995 254 V HN 0.624 nan 8.190 nan 0.000 0.424 255 P HA 0.137 nan 4.420 nan 0.000 0.265 255 P C -1.381 176.041 177.300 0.205 0.000 1.222 255 P CA 0.403 63.622 63.100 0.199 0.000 0.767 255 P CB -0.153 31.713 31.700 0.277 0.000 0.801 256 Y N 6.513 126.802 120.300 -0.018 0.000 2.307 256 Y HA 0.380 4.930 4.550 0.000 0.000 0.323 256 Y C -2.731 173.147 175.900 -0.037 0.000 1.100 256 Y CA -2.817 55.227 58.100 -0.094 0.000 1.140 256 Y CB 1.834 40.123 38.460 -0.285 0.000 1.159 256 Y HN 0.286 nan 8.280 nan 0.000 0.436 257 P HA 0.257 nan 4.420 nan 0.000 0.287 257 P C -1.004 176.341 177.300 0.074 0.000 1.307 257 P CA -0.220 62.917 63.100 0.062 0.000 0.777 257 P CB 1.508 33.224 31.700 0.026 0.000 0.883 258 K N 2.017 122.538 120.400 0.201 0.000 2.098 258 K HA 0.524 4.844 4.320 0.000 0.000 0.244 258 K C 0.479 177.172 176.600 0.155 0.000 1.014 258 K CA -0.782 55.643 56.287 0.231 0.000 0.917 258 K CB 0.659 33.317 32.500 0.264 0.000 1.072 258 K HN 0.454 nan 8.250 nan 0.000 0.477 259 A N 0.816 123.752 122.820 0.194 0.000 2.573 259 A HA 0.234 4.554 4.320 0.000 0.000 0.250 259 A C 1.209 178.828 177.584 0.058 0.000 1.049 259 A CA 1.146 53.285 52.037 0.168 0.000 0.767 259 A CB -1.338 17.844 19.000 0.304 0.000 0.965 259 A HN 0.916 nan 8.150 nan 0.000 0.514 260 G N 1.096 109.917 108.800 0.035 0.000 2.234 260 G HA2 0.075 4.035 3.960 0.000 0.000 0.260 260 G HA3 0.075 4.035 3.960 0.000 0.000 0.260 260 G C 0.761 175.670 174.900 0.014 0.000 0.987 260 G CA 0.886 45.982 45.100 -0.008 0.000 0.625 260 G HN 2.203 nan 8.290 nan 0.000 0.532 261 A N -0.330 122.516 122.820 0.043 0.000 2.267 261 A HA 0.723 5.043 4.320 0.000 0.000 0.271 261 A C 0.903 178.516 177.584 0.048 0.000 1.131 261 A CA 0.406 52.472 52.037 0.049 0.000 0.818 261 A CB 0.454 19.498 19.000 0.074 0.000 1.118 261 A HN 1.160 nan 8.150 nan 0.000 0.501 262 V N 2.104 122.048 119.914 0.050 0.000 2.572 262 V HA 0.066 4.186 4.120 0.000 0.000 0.291 262 V C 0.273 176.409 176.094 0.069 0.000 1.039 262 V CA -0.192 62.138 62.300 0.050 0.000 1.055 262 V CB 0.181 32.035 31.823 0.051 0.000 0.969 262 V HN 0.777 nan 8.190 nan 0.000 0.482 263 N N 5.696 124.436 118.700 0.067 0.000 2.489 263 N HA 0.479 5.219 4.740 0.000 0.000 0.284 263 N C -2.373 173.214 175.510 0.129 0.000 1.158 263 N CA -1.455 51.658 53.050 0.104 0.000 0.965 263 N CB 1.486 40.036 38.487 0.106 0.000 1.195 263 N HN 0.405 nan 8.380 nan 0.000 0.506 264 P HA 0.061 nan 4.420 nan 0.000 0.270 264 P C -0.403 177.037 177.300 0.233 0.000 1.223 264 P CA -0.060 63.185 63.100 0.242 0.000 0.785 264 P CB 0.351 32.242 31.700 0.317 0.000 0.923 265 T N -1.837 112.839 114.554 0.203 0.000 2.945 265 T HA 0.582 4.932 4.350 0.000 0.000 0.286 265 T C -0.267 174.541 174.700 0.180 0.000 1.025 265 T CA -0.847 61.331 62.100 0.130 0.000 1.039 265 T CB 1.551 70.468 68.868 0.081 0.000 1.068 265 T HN 0.346 nan 8.240 nan 0.000 0.497 266 V N 0.441 120.437 119.914 0.136 0.000 2.962 266 V HA 0.783 4.903 4.120 0.000 0.000 0.313 266 V C -1.477 174.685 176.094 0.115 0.000 1.099 266 V CA -0.866 61.476 62.300 0.071 0.000 0.971 266 V CB 2.062 33.958 31.823 0.123 0.000 1.028 266 V HN 1.043 nan 8.190 nan 0.000 0.430 267 K N 4.092 124.500 120.400 0.014 0.000 2.477 267 K HA 0.558 4.878 4.320 0.000 0.000 0.255 267 K C -1.998 174.558 176.600 -0.073 0.000 0.952 267 K CA -0.475 55.804 56.287 -0.012 0.000 0.826 267 K CB 2.765 35.254 32.500 -0.019 0.000 1.331 267 K HN 0.563 nan 8.250 nan 0.000 0.437 268 F N 2.289 121.984 119.950 -0.425 0.000 2.520 268 F HA 0.599 5.126 4.527 0.000 0.000 0.322 268 F C -1.491 173.840 175.800 -0.782 0.000 1.103 268 F CA -0.647 57.103 58.000 -0.417 0.000 0.926 268 F CB 0.888 39.757 39.000 -0.219 0.000 1.154 268 F HN 0.390 nan 8.300 nan 0.000 0.453 269 F N 3.635 122.891 119.950 -1.156 0.000 2.613 269 F HA 0.769 5.296 4.527 0.000 0.000 0.314 269 F C -1.028 174.125 175.800 -1.079 0.000 1.075 269 F CA -1.221 56.202 58.000 -0.962 0.000 0.945 269 F CB 2.105 40.504 39.000 -1.002 0.000 1.310 269 F HN 0.137 nan 8.300 nan 0.000 0.467 270 V N 2.368 122.074 119.914 -0.347 0.000 2.623 270 V HA 0.602 4.722 4.120 0.000 0.000 0.304 270 V C -1.225 174.950 176.094 0.135 0.000 1.054 270 V CA -0.774 61.394 62.300 -0.219 0.000 0.882 270 V CB 1.899 33.405 31.823 -0.529 0.000 1.002 270 V HN 0.627 nan 8.190 nan 0.000 0.424 271 V N 4.481 124.539 119.914 0.239 0.000 2.680 271 V HA 0.555 4.675 4.120 0.000 0.000 0.309 271 V C -0.187 176.129 176.094 0.370 0.000 1.052 271 V CA -0.629 61.845 62.300 0.290 0.000 0.908 271 V CB 2.083 34.026 31.823 0.199 0.000 1.001 271 V HN 1.003 nan 8.190 nan 0.000 0.431 272 N N 3.056 121.943 118.700 0.312 0.000 2.437 272 N HA 0.160 4.900 4.740 0.000 0.000 0.243 272 N C 1.210 176.714 175.510 -0.009 0.000 1.041 272 N CA 0.300 53.412 53.050 0.103 0.000 0.940 272 N CB 1.184 39.686 38.487 0.024 0.000 1.133 272 N HN 0.895 nan 8.380 nan 0.000 0.506 273 T N 0.082 114.623 114.554 -0.021 0.000 3.007 273 T HA -0.088 4.262 4.350 0.000 0.000 0.270 273 T C 0.790 175.439 174.700 -0.085 0.000 1.107 273 T CA 0.829 62.914 62.100 -0.024 0.000 1.118 273 T CB 0.033 68.977 68.868 0.126 0.000 0.889 273 T HN 0.419 nan 8.240 nan 0.000 0.506 274 D N 1.711 122.043 120.400 -0.114 0.000 2.363 274 D HA 0.021 4.661 4.640 0.000 0.000 0.220 274 D C 2.022 178.261 176.300 -0.101 0.000 0.994 274 D CA 0.984 54.916 54.000 -0.113 0.000 0.890 274 D CB 0.056 40.776 40.800 -0.132 0.000 0.906 274 D HN 0.696 nan 8.370 nan 0.000 0.530 275 S N -0.684 114.959 115.700 -0.096 0.000 2.540 275 S HA 0.109 4.579 4.470 0.000 0.000 0.218 275 S C 1.965 176.503 174.600 -0.102 0.000 0.977 275 S CA -0.303 57.859 58.200 -0.065 0.000 0.918 275 S CB -0.101 63.090 63.200 -0.015 0.000 0.806 275 S HN 0.124 nan 8.310 nan 0.000 0.496 276 L N 2.400 123.493 121.223 -0.216 0.000 2.079 276 L HA -0.070 4.270 4.340 0.000 0.000 0.210 276 L C 2.299 178.941 176.870 -0.379 0.000 1.081 276 L CA 1.539 56.127 54.840 -0.420 0.000 0.752 276 L CB -0.755 40.772 42.059 -0.887 0.000 0.896 276 L HN 0.560 nan 8.230 nan 0.000 0.433 277 S N -2.586 112.960 115.700 -0.258 0.000 2.768 277 S HA 0.170 4.640 4.470 0.000 0.000 0.246 277 S C 0.901 175.521 174.600 0.033 0.000 1.006 277 S CA -0.002 58.191 58.200 -0.011 0.000 1.075 277 S CB 0.409 63.633 63.200 0.040 0.000 0.786 277 S HN 0.263 nan 8.310 nan 0.000 0.468 278 S N -0.285 115.426 115.700 0.017 0.000 2.560 278 S HA 0.125 4.595 4.470 0.000 0.000 0.281 278 S C 1.125 175.749 174.600 0.040 0.000 1.075 278 S CA 0.248 58.466 58.200 0.031 0.000 1.295 278 S CB 0.720 63.928 63.200 0.014 0.000 1.156 278 S HN 0.623 nan 8.310 nan 0.000 0.627 279 V N -2.415 117.525 119.914 0.044 0.000 3.572 279 V HA 0.470 4.590 4.120 0.000 0.000 0.260 279 V C 1.083 177.217 176.094 0.066 0.000 1.324 279 V CA 0.930 63.260 62.300 0.050 0.000 1.068 279 V CB 0.267 32.116 31.823 0.044 0.000 0.837 279 V HN 0.324 nan 8.190 nan 0.000 0.450 280 T N 0.328 114.942 114.554 0.102 0.000 11.300 280 T HA -0.229 4.121 4.350 0.000 0.000 0.372 280 T C 0.252 175.041 174.700 0.149 0.000 1.758 280 T CA 1.471 63.648 62.100 0.129 0.000 2.871 280 T CB -1.436 67.478 68.868 0.077 0.000 2.366 280 T HN 0.737 nan 8.240 nan 0.000 0.677 281 N N 1.082 119.844 118.700 0.104 0.000 2.722 281 N HA 0.642 5.382 4.740 0.000 0.000 0.242 281 N C -0.495 175.074 175.510 0.099 0.000 1.398 281 N CA 0.620 53.739 53.050 0.115 0.000 0.755 281 N CB 0.948 39.426 38.487 -0.015 0.000 1.268 281 N HN 0.758 nan 8.380 nan 0.000 0.522 282 A N 1.335 124.221 122.820 0.110 0.000 2.565 282 A HA 0.299 4.619 4.320 0.000 0.000 0.237 282 A C 0.881 178.532 177.584 0.112 0.000 1.053 282 A CA 0.326 52.417 52.037 0.089 0.000 0.755 282 A CB -0.305 18.731 19.000 0.059 0.000 0.980 282 A HN 0.600 nan 8.150 nan 0.000 0.506 283 T N 1.018 115.640 114.554 0.114 0.000 2.869 283 T HA 0.456 4.806 4.350 0.000 0.000 0.295 283 T C 0.170 174.969 174.700 0.166 0.000 0.987 283 T CA -0.270 61.906 62.100 0.127 0.000 1.109 283 T CB 0.530 69.471 68.868 0.122 0.000 0.932 283 T HN 0.458 nan 8.240 nan 0.000 0.518 284 S N 4.290 120.087 115.700 0.162 0.000 2.430 284 S HA 0.370 4.840 4.470 0.000 0.000 0.289 284 S C 0.283 175.058 174.600 0.292 0.000 1.143 284 S CA -0.853 57.466 58.200 0.198 0.000 1.067 284 S CB -0.112 63.142 63.200 0.089 0.000 0.964 284 S HN 0.600 nan 8.310 nan 0.000 0.485 285 I N 3.640 124.381 120.570 0.286 0.000 2.416 285 I HA 0.202 4.372 4.170 0.000 0.000 0.288 285 I C 0.720 176.951 176.117 0.191 0.000 1.051 285 I CA -0.026 61.443 61.300 0.282 0.000 1.375 285 I CB 0.462 38.690 38.000 0.381 0.000 1.407 285 I HN 0.633 nan 8.210 nan 0.000 0.516 286 Q N 6.086 125.956 119.800 0.117 0.000 2.259 286 Q HA 0.508 4.848 4.340 0.000 0.000 0.249 286 Q C -1.057 174.890 176.000 -0.088 0.000 0.914 286 Q CA -0.472 55.211 55.803 -0.201 0.000 0.904 286 Q CB 1.376 29.926 28.738 -0.313 0.000 1.213 286 Q HN 0.546 nan 8.270 nan 0.000 0.428 287 I N 3.937 124.448 120.570 -0.099 0.000 2.382 287 I HA 0.216 4.386 4.170 0.000 0.000 0.285 287 I C 0.520 176.628 176.117 -0.016 0.000 1.007 287 I CA -0.397 60.910 61.300 0.011 0.000 1.142 287 I CB 1.557 39.607 38.000 0.083 0.000 1.289 287 I HN 0.760 nan 8.210 nan 0.000 0.453 288 T N 3.192 117.689 114.554 -0.096 0.000 2.923 288 T HA 0.858 5.208 4.350 0.000 0.000 0.282 288 T C 0.729 175.203 174.700 -0.378 0.000 1.137 288 T CA 0.225 62.204 62.100 -0.202 0.000 0.958 288 T CB 1.099 69.859 68.868 -0.179 0.000 1.961 288 T HN 0.944 nan 8.240 nan 0.000 0.586 289 A N 0.759 123.300 122.820 -0.464 0.000 6.204 289 A HA -0.006 4.314 4.320 0.000 0.000 0.272 289 A C -2.533 174.446 177.584 -1.008 0.000 2.040 289 A CA 0.126 51.830 52.037 -0.556 0.000 0.717 289 A CB -2.828 15.967 19.000 -0.343 0.000 1.126 289 A HN 0.877 nan 8.150 nan 0.000 0.378 290 P HA 0.438 nan 4.420 nan 0.000 0.272 290 P C 0.981 178.064 177.300 -0.362 0.000 1.230 290 P CA 0.640 63.481 63.100 -0.432 0.000 0.788 290 P CB 0.542 32.057 31.700 -0.308 0.000 0.949 291 A N 1.798 124.478 122.820 -0.233 0.000 1.940 291 A HA -0.195 4.125 4.320 0.000 0.000 0.219 291 A C 2.092 179.574 177.584 -0.170 0.000 1.176 291 A CA 2.370 54.296 52.037 -0.185 0.000 0.631 291 A CB -1.885 17.039 19.000 -0.127 0.000 0.814 291 A HN 0.621 nan 8.150 nan 0.000 0.446 292 S N -1.809 113.809 115.700 -0.137 0.000 2.469 292 S HA -0.124 4.346 4.470 0.000 0.000 0.238 292 S C 1.678 176.207 174.600 -0.118 0.000 0.998 292 S CA 1.773 59.915 58.200 -0.097 0.000 0.957 292 S CB -0.264 62.944 63.200 0.012 0.000 0.764 292 S HN 0.359 nan 8.310 nan 0.000 0.514 293 M N 1.088 120.559 119.600 -0.216 0.000 2.556 293 M HA 0.468 4.948 4.480 0.000 0.000 0.264 293 M C 1.654 177.714 176.300 -0.399 0.000 1.163 293 M CA 0.868 55.980 55.300 -0.314 0.000 1.186 293 M CB -0.578 31.701 32.600 -0.536 0.000 1.321 293 M HN 0.252 nan 8.290 nan 0.000 0.485 294 L N -0.477 120.508 121.223 -0.398 0.000 2.456 294 L HA -0.124 4.216 4.340 0.000 0.000 0.224 294 L C 2.210 179.024 176.870 -0.093 0.000 1.148 294 L CA 0.589 55.283 54.840 -0.243 0.000 0.825 294 L CB -0.755 41.169 42.059 -0.225 0.000 0.937 294 L HN 0.318 nan 8.230 nan 0.000 0.450 295 I N -0.458 120.051 120.570 -0.101 0.000 2.530 295 I HA -0.120 4.051 4.170 0.000 0.000 0.257 295 I C 1.083 177.182 176.117 -0.030 0.000 1.179 295 I CA 0.997 62.256 61.300 -0.067 0.000 1.440 295 I CB 0.065 38.013 38.000 -0.086 0.000 1.087 295 I HN 0.271 nan 8.210 nan 0.000 0.440 296 G N -0.825 107.979 108.800 0.006 0.000 2.650 296 G HA2 0.170 4.130 3.960 0.000 0.000 0.310 296 G HA3 0.170 4.130 3.960 0.000 0.000 0.310 296 G C -1.685 173.269 174.900 0.090 0.000 1.270 296 G CA -0.590 44.525 45.100 0.024 0.000 0.810 296 G HN -0.023 nan 8.290 nan 0.000 0.493 297 D N 1.302 121.702 120.400 -0.001 0.000 2.488 297 D HA 0.423 5.063 4.640 0.000 0.000 0.238 297 D C 0.486 176.721 176.300 -0.109 0.000 1.138 297 D CA 0.792 54.729 54.000 -0.106 0.000 0.873 297 D CB 0.336 41.044 40.800 -0.153 0.000 1.183 297 D HN 0.541 nan 8.370 nan 0.000 0.458 298 H N -0.594 118.332 119.070 -0.240 0.000 2.928 298 H HA 0.489 5.045 4.556 0.000 0.000 0.285 298 H C -1.275 173.879 175.328 -0.290 0.000 1.438 298 H CA -0.793 55.110 56.048 -0.242 0.000 1.176 298 H CB 0.444 30.218 29.762 0.019 0.000 1.864 298 H HN 0.324 nan 8.280 nan 0.000 0.567 299 Y N -0.311 120.215 120.300 0.376 0.000 2.588 299 Y HA 0.424 4.974 4.550 0.000 0.000 0.343 299 Y C -0.684 175.445 175.900 0.381 0.000 1.065 299 Y CA -1.147 57.146 58.100 0.321 0.000 1.038 299 Y CB 1.917 40.405 38.460 0.047 0.000 1.297 299 Y HN 0.499 nan 8.280 nan 0.000 0.467 300 L N 2.513 124.002 121.223 0.443 0.000 2.265 300 L HA 0.468 4.808 4.340 0.000 0.000 0.289 300 L C 0.294 177.204 176.870 0.067 0.000 1.033 300 L CA -0.387 54.381 54.840 -0.121 0.000 0.814 300 L CB 0.546 42.444 42.059 -0.268 0.000 1.203 300 L HN 0.972 nan 8.230 nan 0.000 0.423 301 C N 1.247 120.522 119.300 -0.042 0.000 3.065 301 C HA 0.492 4.952 4.460 0.000 0.000 0.285 301 C C 0.335 175.421 174.990 0.161 0.000 1.257 301 C CA -0.281 58.767 59.018 0.049 0.000 1.691 301 C CB -0.691 27.059 27.740 0.016 0.000 2.089 301 C HN 0.862 nan 8.230 nan 0.000 0.630 302 D N -0.259 120.105 120.400 -0.060 0.000 2.706 302 D HA 0.395 5.035 4.640 0.000 0.000 0.225 302 D C -1.922 174.062 176.300 -0.526 0.000 1.241 302 D CA 0.055 53.941 54.000 -0.189 0.000 0.784 302 D CB 2.628 43.336 40.800 -0.154 0.000 1.521 302 D HN 0.257 nan 8.370 nan 0.000 0.461 303 V N 1.758 121.247 119.914 -0.708 0.000 2.655 303 V HA 0.749 4.869 4.120 0.000 0.000 0.301 303 V C -1.572 174.073 176.094 -0.748 0.000 1.082 303 V CA 0.250 61.980 62.300 -0.949 0.000 0.899 303 V CB 1.596 32.516 31.823 -1.506 0.000 1.014 303 V HN 0.722 nan 8.190 nan 0.000 0.429 304 T N 3.905 118.135 114.554 -0.541 0.000 3.032 304 T HA 0.564 4.914 4.350 0.000 0.000 0.312 304 T C -1.139 173.369 174.700 -0.320 0.000 1.078 304 T CA -0.369 61.563 62.100 -0.281 0.000 1.028 304 T CB 1.149 69.941 68.868 -0.127 0.000 1.091 304 T HN 0.760 nan 8.240 nan 0.000 0.457 305 W N 2.922 124.131 121.300 -0.151 0.000 2.216 305 W HA 0.568 5.228 4.660 0.000 0.000 0.326 305 W C 1.185 177.542 176.519 -0.270 0.000 1.319 305 W CA 0.038 57.289 57.345 -0.155 0.000 1.213 305 W CB 0.842 30.303 29.460 0.001 0.000 1.171 305 W HN 0.976 nan 8.180 nan 0.000 0.557 306 A N 1.933 124.598 122.820 -0.259 0.000 1.973 306 A HA 0.211 4.531 4.320 0.000 0.000 0.210 306 A C 0.892 178.445 177.584 -0.051 0.000 1.200 306 A CA 1.523 53.231 52.037 -0.548 0.000 0.707 306 A CB -0.309 17.992 19.000 -1.164 0.000 0.862 306 A HN 0.544 nan 8.150 nan 0.000 0.461 307 T N -5.817 108.810 114.554 0.122 0.000 2.647 307 T HA 0.325 4.675 4.350 0.000 0.000 0.295 307 T C 0.112 175.005 174.700 0.321 0.000 1.126 307 T CA -0.379 61.840 62.100 0.199 0.000 1.040 307 T CB 0.605 69.573 68.868 0.168 0.000 1.472 307 T HN -0.086 nan 8.240 nan 0.000 0.500 308 Q N 0.388 120.342 119.800 0.256 0.000 2.291 308 Q HA 0.042 4.382 4.340 0.000 0.000 0.205 308 Q C 0.840 177.124 176.000 0.473 0.000 0.970 308 Q CA 1.444 57.408 55.803 0.267 0.000 0.876 308 Q CB -0.083 28.764 28.738 0.183 0.000 0.935 308 Q HN 0.819 nan 8.270 nan 0.000 0.455 309 E N -0.203 120.276 120.200 0.464 0.000 2.812 309 E HA 0.200 4.550 4.350 0.000 0.000 0.211 309 E C -0.186 176.720 176.600 0.510 0.000 0.986 309 E CA -0.175 56.530 56.400 0.509 0.000 1.119 309 E CB 1.055 30.947 29.700 0.319 0.000 1.046 309 E HN -0.042 nan 8.360 nan 0.000 0.474 310 R N 1.690 122.483 120.500 0.489 0.000 2.538 310 R HA 0.521 4.861 4.340 0.000 0.000 0.292 310 R C -1.703 174.585 176.300 -0.021 0.000 1.008 310 R CA -0.444 55.805 56.100 0.247 0.000 0.896 310 R CB 1.339 31.692 30.300 0.087 0.000 1.187 310 R HN 0.076 nan 8.270 nan 0.000 0.440 311 I N 3.190 123.578 120.570 -0.303 0.000 2.545 311 I HA 0.413 4.583 4.170 0.000 0.000 0.292 311 I C -0.948 174.827 176.117 -0.571 0.000 1.040 311 I CA -0.510 60.327 61.300 -0.772 0.000 1.068 311 I CB 2.208 39.352 38.000 -1.426 0.000 1.251 311 I HN 0.826 nan 8.210 nan 0.000 0.424 312 S N 7.443 122.790 115.700 -0.588 0.000 2.454 312 S HA 0.747 5.217 4.470 0.000 0.000 0.306 312 S C -1.099 173.185 174.600 -0.527 0.000 1.100 312 S CA -0.717 57.226 58.200 -0.428 0.000 1.087 312 S CB 1.674 64.717 63.200 -0.261 0.000 1.019 312 S HN 0.414 nan 8.310 nan 0.000 0.480 313 L N 2.554 123.490 121.223 -0.478 0.000 2.362 313 L HA 0.538 4.878 4.340 0.000 0.000 0.275 313 L C -0.078 176.520 176.870 -0.454 0.000 0.998 313 L CA -0.159 54.299 54.840 -0.637 0.000 0.820 313 L CB 1.847 43.458 42.059 -0.747 0.000 1.270 313 L HN 0.796 nan 8.230 nan 0.000 0.415 314 Q N 2.011 121.492 119.800 -0.532 0.000 2.322 314 Q HA 0.469 4.809 4.340 0.000 0.000 0.265 314 Q C -1.640 174.131 176.000 -0.382 0.000 0.985 314 Q CA -0.463 55.158 55.803 -0.303 0.000 0.849 314 Q CB 1.879 30.491 28.738 -0.210 0.000 1.274 314 Q HN 0.490 nan 8.270 nan 0.000 0.449 315 W N 2.698 123.955 121.300 -0.072 0.000 2.689 315 W HA 0.618 5.279 4.660 0.000 0.000 0.340 315 W C -0.915 175.635 176.519 0.051 0.000 1.060 315 W CA -0.648 56.700 57.345 0.005 0.000 1.218 315 W CB 1.055 30.488 29.460 -0.045 0.000 1.410 315 W HN 0.385 nan 8.180 nan 0.000 0.528 316 L N 2.662 124.108 121.223 0.371 0.000 2.410 316 L HA 0.581 4.921 4.340 0.000 0.000 0.270 316 L C -0.134 176.919 176.870 0.305 0.000 0.983 316 L CA -1.064 53.957 54.840 0.302 0.000 0.822 316 L CB 1.340 43.568 42.059 0.281 0.000 1.285 316 L HN 0.410 nan 8.230 nan 0.000 0.409 317 R N 2.693 123.340 120.500 0.244 0.000 2.641 317 R HA 0.249 4.589 4.340 0.000 0.000 0.269 317 R C 1.070 177.406 176.300 0.060 0.000 1.074 317 R CA -0.259 55.929 56.100 0.146 0.000 1.133 317 R CB 0.538 30.923 30.300 0.141 0.000 1.029 317 R HN 0.645 nan 8.270 nan 0.000 0.488 318 R N 1.361 121.800 120.500 -0.100 0.000 2.117 318 R HA -0.095 4.245 4.340 0.000 0.000 0.243 318 R C 0.414 176.750 176.300 0.060 0.000 1.143 318 R CA 1.166 57.189 56.100 -0.128 0.000 0.968 318 R CB 0.146 30.347 30.300 -0.164 0.000 0.863 318 R HN 0.413 nan 8.270 nan 0.000 0.444 319 I N 3.028 123.628 120.570 0.049 0.000 2.293 319 I HA -0.011 4.159 4.170 0.000 0.000 0.299 319 I C 0.392 176.573 176.117 0.107 0.000 1.153 319 I CA 0.478 61.817 61.300 0.065 0.000 1.302 319 I CB 0.760 38.785 38.000 0.043 0.000 1.460 319 I HN 0.249 nan 8.210 nan 0.000 0.552 320 Q N 3.837 123.706 119.800 0.115 0.000 2.285 320 Q HA -0.131 4.209 4.340 0.000 0.000 0.191 320 Q C 0.834 176.927 176.000 0.155 0.000 0.860 320 Q CA 0.202 56.090 55.803 0.143 0.000 1.015 320 Q CB -0.382 28.414 28.738 0.097 0.000 1.118 320 Q HN 0.648 nan 8.270 nan 0.000 0.455 321 N N -1.168 117.623 118.700 0.152 0.000 2.205 321 N HA -0.052 4.688 4.740 0.000 0.000 0.201 321 N C -0.815 174.815 175.510 0.199 0.000 1.128 321 N CA -0.045 53.089 53.050 0.140 0.000 0.867 321 N CB 0.342 38.892 38.487 0.106 0.000 0.996 321 N HN 0.185 nan 8.380 nan 0.000 0.503 322 Y N -0.010 120.324 120.300 0.056 0.000 2.406 322 Y HA 0.635 5.185 4.550 0.000 0.000 0.340 322 Y C -1.054 174.888 175.900 0.071 0.000 0.975 322 Y CA -1.072 57.059 58.100 0.051 0.000 1.056 322 Y CB 2.025 40.505 38.460 0.034 0.000 1.210 322 Y HN -0.008 nan 8.280 nan 0.000 0.448 323 S N 4.066 119.603 115.700 -0.271 0.000 2.546 323 S HA 0.867 5.337 4.470 0.000 0.000 0.274 323 S C -2.175 172.286 174.600 -0.232 0.000 1.121 323 S CA -0.507 57.623 58.200 -0.118 0.000 0.887 323 S CB 1.254 64.435 63.200 -0.032 0.000 1.094 323 S HN 0.480 nan 8.310 nan 0.000 0.474 324 V N 4.835 124.723 119.914 -0.043 0.000 2.709 324 V HA 0.578 4.698 4.120 0.000 0.000 0.308 324 V C -0.398 175.734 176.094 0.062 0.000 1.062 324 V CA -0.662 61.624 62.300 -0.024 0.000 0.901 324 V CB 1.879 33.712 31.823 0.016 0.000 1.003 324 V HN 0.940 nan 8.190 nan 0.000 0.425 325 M N 3.719 123.328 119.600 0.015 0.000 2.227 325 M HA 0.530 5.010 4.480 0.000 0.000 0.335 325 M C -1.431 174.885 176.300 0.027 0.000 1.053 325 M CA -0.337 54.955 55.300 -0.013 0.000 0.973 325 M CB 1.335 33.861 32.600 -0.123 0.000 1.623 325 M HN 0.637 nan 8.290 nan 0.000 0.434 326 D N 4.937 125.352 120.400 0.025 0.000 2.217 326 D HA 0.547 5.187 4.640 0.000 0.000 0.248 326 D C -0.953 175.321 176.300 -0.043 0.000 1.008 326 D CA -0.089 53.918 54.000 0.011 0.000 0.914 326 D CB 2.049 42.870 40.800 0.035 0.000 1.182 326 D HN 0.619 nan 8.370 nan 0.000 0.451 327 I N 2.097 122.662 120.570 -0.008 0.000 2.448 327 I HA 0.225 4.395 4.170 0.000 0.000 0.281 327 I C -0.681 175.438 176.117 0.004 0.000 1.027 327 I CA -0.575 60.714 61.300 -0.018 0.000 1.111 327 I CB 1.303 39.351 38.000 0.079 0.000 1.236 327 I HN 0.156 nan 8.210 nan 0.000 0.452 328 c N 3.729 122.320 118.600 -0.015 0.000 2.351 328 c HA 0.519 5.089 4.570 0.000 0.000 0.326 328 c C -0.107 174.147 174.090 0.273 0.000 1.272 328 c CA -0.763 55.632 56.329 0.110 0.000 1.650 328 c CB 0.682 43.259 42.510 0.112 0.000 2.257 328 c HN 0.587 nan 8.230 nan 0.000 0.505 329 D N 0.430 120.963 120.400 0.221 0.000 2.181 329 D HA 0.319 4.959 4.640 0.000 0.000 0.248 329 D C -0.552 175.701 176.300 -0.078 0.000 1.020 329 D CA -0.203 53.887 54.000 0.150 0.000 0.891 329 D CB 0.654 41.486 40.800 0.053 0.000 1.187 329 D HN 0.582 nan 8.370 nan 0.000 0.443 330 Y N 1.421 121.336 120.300 -0.641 0.000 2.402 330 Y HA 0.182 4.732 4.550 0.000 0.000 0.333 330 Y C -0.173 175.429 175.900 -0.496 0.000 1.076 330 Y CA -0.642 56.754 58.100 -1.173 0.000 1.299 330 Y CB 0.658 38.323 38.460 -1.325 0.000 1.197 330 Y HN 0.238 nan 8.280 nan 0.000 0.517 331 D N 5.097 124.908 120.400 -0.981 0.000 2.479 331 D HA 0.057 4.697 4.640 0.000 0.000 0.218 331 D C 0.976 176.709 176.300 -0.945 0.000 1.131 331 D CA -0.041 53.542 54.000 -0.694 0.000 0.916 331 D CB 0.356 40.920 40.800 -0.392 0.000 1.022 331 D HN 0.810 nan 8.370 nan 0.000 0.515 332 E N 2.113 121.834 120.200 -0.798 0.000 2.339 332 E HA -0.255 4.095 4.350 0.000 0.000 0.201 332 E C 1.165 177.604 176.600 -0.269 0.000 1.015 332 E CA 0.960 57.066 56.400 -0.489 0.000 0.841 332 E CB 0.280 29.895 29.700 -0.142 0.000 0.754 332 E HN 0.399 nan 8.360 nan 0.000 0.508 333 S N -0.815 114.734 115.700 -0.252 0.000 2.325 333 S HA -0.073 4.397 4.470 0.000 0.000 0.214 333 S C 1.865 176.389 174.600 -0.126 0.000 1.031 333 S CA 1.278 59.392 58.200 -0.143 0.000 0.972 333 S CB -0.149 62.981 63.200 -0.117 0.000 0.908 333 S HN 0.255 nan 8.310 nan 0.000 0.453 334 S N -0.601 115.005 115.700 -0.156 0.000 2.593 334 S HA 0.289 4.759 4.470 0.000 0.000 0.217 334 S C 1.195 175.741 174.600 -0.090 0.000 0.966 334 S CA 0.962 59.103 58.200 -0.099 0.000 0.914 334 S CB -0.654 62.497 63.200 -0.082 0.000 0.776 334 S HN 1.113 nan 8.310 nan 0.000 0.523 335 G N 1.741 110.427 108.800 -0.190 0.000 2.180 335 G HA2 -0.252 3.708 3.960 0.000 0.000 0.263 335 G HA3 -0.252 3.708 3.960 0.000 0.000 0.263 335 G C 0.215 175.144 174.900 0.048 0.000 0.989 335 G CA 0.513 45.585 45.100 -0.047 0.000 0.692 335 G HN 0.472 nan 8.290 nan 0.000 0.526 336 R N -1.637 118.796 120.500 -0.113 0.000 2.700 336 R HA 0.634 4.974 4.340 0.000 0.000 0.253 336 R C -0.675 175.563 176.300 -0.104 0.000 1.091 336 R CA -0.948 55.162 56.100 0.016 0.000 1.104 336 R CB 0.483 30.797 30.300 0.023 0.000 1.202 336 R HN 0.191 nan 8.270 nan 0.000 0.532 337 W N 0.635 121.965 121.300 0.050 0.000 2.411 337 W HA 0.365 5.025 4.660 0.000 0.000 0.317 337 W C -0.456 176.055 176.519 -0.014 0.000 1.030 337 W CA -0.387 56.976 57.345 0.031 0.000 1.239 337 W CB 0.970 30.442 29.460 0.020 0.000 1.304 337 W HN 0.389 nan 8.180 nan 0.000 0.437 338 N N 2.195 120.977 118.700 0.135 0.000 2.399 338 N HA 0.559 5.299 4.740 0.000 0.000 0.295 338 N C -1.406 174.148 175.510 0.073 0.000 1.048 338 N CA -0.534 52.559 53.050 0.070 0.000 0.886 338 N CB 1.159 39.649 38.487 0.004 0.000 1.185 338 N HN 0.164 nan 8.380 nan 0.000 0.487 339 c N 2.543 121.167 118.600 0.040 0.000 2.294 339 c HA 0.402 4.972 4.570 0.000 0.000 0.319 339 c C 0.332 174.421 174.090 -0.001 0.000 1.164 339 c CA -1.170 55.172 56.329 0.022 0.000 1.497 339 c CB -1.201 41.311 42.510 0.002 0.000 2.061 339 c HN 0.599 nan 8.230 nan 0.000 0.438 340 L N 2.465 123.691 121.223 0.004 0.000 2.490 340 L HA 0.057 4.397 4.340 0.000 0.000 0.274 340 L C 1.613 178.470 176.870 -0.023 0.000 1.201 340 L CA 0.239 55.074 54.840 -0.009 0.000 0.869 340 L CB 0.680 42.739 42.059 0.000 0.000 1.123 340 L HN 0.665 nan 8.230 nan 0.000 0.484 341 V N 3.961 123.854 119.914 -0.036 0.000 2.759 341 V HA -0.204 3.916 4.120 0.000 0.000 0.256 341 V C 2.157 178.210 176.094 -0.068 0.000 1.080 341 V CA 2.026 64.294 62.300 -0.052 0.000 1.101 341 V CB 0.071 31.864 31.823 -0.050 0.000 0.698 341 V HN 0.975 nan 8.190 nan 0.000 0.477 342 A N -0.108 122.679 122.820 -0.056 0.000 2.168 342 A HA -0.021 4.299 4.320 0.000 0.000 0.215 342 A C 2.143 179.670 177.584 -0.094 0.000 1.152 342 A CA 1.088 53.084 52.037 -0.068 0.000 0.716 342 A CB -0.371 18.606 19.000 -0.039 0.000 0.794 342 A HN 0.622 nan 8.150 nan 0.000 0.465 343 R N -0.765 119.697 120.500 -0.063 0.000 2.432 343 R HA 0.143 4.483 4.340 0.000 0.000 0.260 343 R C 0.463 176.727 176.300 -0.061 0.000 0.935 343 R CA -0.151 55.942 56.100 -0.011 0.000 1.080 343 R CB 0.225 30.578 30.300 0.088 0.000 1.155 343 R HN 0.602 nan 8.270 nan 0.000 0.531 344 Q N 0.999 120.704 119.800 -0.159 0.000 2.279 344 Q HA 0.092 4.432 4.340 0.000 0.000 0.256 344 Q C -1.184 174.644 176.000 -0.286 0.000 0.937 344 Q CA -0.209 55.523 55.803 -0.118 0.000 0.933 344 Q CB 0.660 29.347 28.738 -0.085 0.000 1.189 344 Q HN 0.221 nan 8.270 nan 0.000 0.417 345 H N 3.134 122.178 119.070 -0.043 0.000 2.539 345 H HA 0.372 4.928 4.556 0.000 0.000 0.332 345 H C -0.947 174.326 175.328 -0.092 0.000 1.031 345 H CA -0.540 55.476 56.048 -0.053 0.000 1.206 345 H CB 0.913 30.616 29.762 -0.099 0.000 1.446 345 H HN 0.516 nan 8.280 nan 0.000 0.496 346 I N 2.084 122.645 120.570 -0.015 0.000 2.428 346 I HA 0.192 4.362 4.170 0.000 0.000 0.296 346 I C 0.182 176.232 176.117 -0.112 0.000 0.985 346 I CA -0.163 61.049 61.300 -0.147 0.000 1.260 346 I CB 1.214 39.104 38.000 -0.184 0.000 1.389 346 I HN 0.623 nan 8.210 nan 0.000 0.484 347 E N 7.469 127.548 120.200 -0.202 0.000 2.316 347 E HA 0.498 4.848 4.350 0.000 0.000 0.254 347 E C -1.257 175.254 176.600 -0.148 0.000 0.902 347 E CA -0.588 55.752 56.400 -0.099 0.000 0.801 347 E CB 1.027 30.704 29.700 -0.038 0.000 1.270 347 E HN 0.641 nan 8.360 nan 0.000 0.414 348 M N 1.157 120.709 119.600 -0.080 0.000 2.761 348 M HA 0.677 5.157 4.480 0.000 0.000 0.305 348 M C -0.867 175.450 176.300 0.028 0.000 1.235 348 M CA -0.912 54.383 55.300 -0.009 0.000 0.850 348 M CB 2.174 34.832 32.600 0.096 0.000 1.744 348 M HN 0.247 nan 8.290 nan 0.000 0.480 349 S N -0.420 115.306 115.700 0.045 0.000 2.538 349 S HA 0.511 4.981 4.470 0.000 0.000 0.288 349 S C 0.306 174.918 174.600 0.020 0.000 1.108 349 S CA -0.033 58.177 58.200 0.016 0.000 0.971 349 S CB 1.721 64.903 63.200 -0.030 0.000 1.041 349 S HN 0.904 nan 8.310 nan 0.000 0.483 350 T N -0.005 114.558 114.554 0.015 0.000 3.037 350 T HA 0.062 4.412 4.350 0.000 0.000 0.252 350 T C 1.415 176.115 174.700 0.001 0.000 1.073 350 T CA 0.990 63.099 62.100 0.016 0.000 1.091 350 T CB -0.375 68.505 68.868 0.020 0.000 0.935 350 T HN 0.675 nan 8.240 nan 0.000 0.488 351 T N -2.291 112.259 114.554 -0.007 0.000 2.990 351 T HA 0.615 4.965 4.350 0.000 0.000 0.250 351 T C 1.093 175.676 174.700 -0.194 0.000 1.041 351 T CA 0.288 62.383 62.100 -0.007 0.000 1.010 351 T CB 0.541 69.466 68.868 0.095 0.000 1.003 351 T HN 0.594 nan 8.240 nan 0.000 0.499 352 G N 0.427 108.962 108.800 -0.442 0.000 2.827 352 G HA2 0.519 4.479 3.960 0.000 0.000 0.202 352 G HA3 0.519 4.479 3.960 0.000 0.000 0.202 352 G C -1.651 173.029 174.900 -0.365 0.000 1.185 352 G CA -0.662 43.931 45.100 -0.844 0.000 0.920 352 G HN 0.482 nan 8.290 nan 0.000 0.550 353 W N -0.257 120.820 121.300 -0.372 0.000 2.492 353 W HA 0.759 5.419 4.660 0.000 0.000 0.373 353 W C -0.472 176.024 176.519 -0.039 0.000 1.323 353 W CA -1.326 55.928 57.345 -0.151 0.000 1.406 353 W CB 0.749 30.104 29.460 -0.175 0.000 1.398 353 W HN 0.268 nan 8.180 nan 0.000 0.671 354 V N 2.971 122.971 119.914 0.142 0.000 2.432 354 V HA 0.686 4.806 4.120 0.000 0.000 0.275 354 V C 0.796 176.969 176.094 0.131 0.000 1.043 354 V CA 0.312 62.652 62.300 0.067 0.000 0.925 354 V CB -0.049 31.820 31.823 0.076 0.000 0.985 354 V HN 1.294 nan 8.190 nan 0.000 0.466 355 G N 4.995 113.824 108.800 0.048 0.000 2.829 355 G HA2 -0.204 3.756 3.960 0.000 0.000 0.628 355 G HA3 -0.204 3.756 3.960 0.000 0.000 0.628 355 G C 0.342 175.321 174.900 0.132 0.000 1.412 355 G CA 0.245 45.402 45.100 0.096 0.000 0.864 355 G HN 0.679 nan 8.290 nan 0.000 0.544 356 R N -0.724 119.846 120.500 0.117 0.000 2.066 356 R HA 0.109 4.449 4.340 0.000 0.000 0.232 356 R C 1.971 178.232 176.300 -0.064 0.000 1.131 356 R CA 2.200 58.306 56.100 0.011 0.000 0.955 356 R CB -0.099 30.181 30.300 -0.034 0.000 0.851 356 R HN 0.478 nan 8.270 nan 0.000 0.432 357 F N -1.055 119.070 119.950 0.293 0.000 2.819 357 F HA 0.270 4.797 4.527 0.000 0.000 0.325 357 F C 0.372 176.235 175.800 0.106 0.000 1.041 357 F CA -0.413 57.697 58.000 0.183 0.000 1.184 357 F CB 0.740 39.834 39.000 0.156 0.000 1.019 357 F HN -0.121 nan 8.300 nan 0.000 0.590 358 R N -1.307 119.367 120.500 0.291 0.000 2.741 358 R HA 0.409 4.749 4.340 0.000 0.000 0.276 358 R C -3.322 173.072 176.300 0.157 0.000 1.028 358 R CA -1.898 54.307 56.100 0.177 0.000 0.865 358 R CB 0.117 30.489 30.300 0.121 0.000 1.268 358 R HN -0.366 nan 8.270 nan 0.000 0.475 359 P HA -0.068 nan 4.420 nan 0.000 0.265 359 P C -0.307 177.040 177.300 0.078 0.000 1.187 359 P CA 0.185 63.330 63.100 0.074 0.000 0.766 359 P CB 0.725 32.445 31.700 0.033 0.000 0.820 360 S N 1.977 117.724 115.700 0.078 0.000 2.572 360 S HA 0.025 4.495 4.470 0.000 0.000 0.279 360 S C 0.061 174.694 174.600 0.054 0.000 1.341 360 S CA -0.564 57.695 58.200 0.098 0.000 1.043 360 S CB 0.082 63.353 63.200 0.119 0.000 0.887 360 S HN 0.503 nan 8.310 nan 0.000 0.516 361 E N 3.948 124.197 120.200 0.081 0.000 2.331 361 E HA 0.359 4.709 4.350 0.000 0.000 0.272 361 E C -2.320 174.273 176.600 -0.012 0.000 1.036 361 E CA -2.084 54.313 56.400 -0.005 0.000 0.864 361 E CB 0.703 30.398 29.700 -0.007 0.000 1.035 361 E HN 0.482 nan 8.360 nan 0.000 0.408 362 P HA 0.187 nan 4.420 nan 0.000 0.284 362 P C -1.220 175.973 177.300 -0.179 0.000 1.258 362 P CA -0.337 62.650 63.100 -0.189 0.000 0.824 362 P CB 0.942 32.263 31.700 -0.631 0.000 1.038 363 H N 1.913 121.014 119.070 0.052 0.000 2.887 363 H HA 0.284 4.840 4.556 0.000 0.000 0.300 363 H C -0.326 175.139 175.328 0.229 0.000 1.038 363 H CA -0.346 55.820 56.048 0.198 0.000 1.352 363 H CB 0.270 30.164 29.762 0.220 0.000 1.473 363 H HN 0.293 nan 8.280 nan 0.000 0.503 364 F N 1.951 122.081 119.950 0.301 0.000 2.418 364 F HA 0.057 4.584 4.527 0.000 0.000 0.341 364 F C 1.638 177.631 175.800 0.321 0.000 1.120 364 F CA -0.388 57.802 58.000 0.318 0.000 1.232 364 F CB 0.847 39.965 39.000 0.197 0.000 1.175 364 F HN 0.343 nan 8.300 nan 0.000 0.569 365 T N 1.070 115.915 114.554 0.485 0.000 2.860 365 T HA 0.084 4.434 4.350 0.000 0.000 0.299 365 T C 1.318 176.212 174.700 0.324 0.000 1.045 365 T CA -0.929 61.402 62.100 0.385 0.000 1.071 365 T CB 0.786 69.868 68.868 0.356 0.000 0.985 365 T HN 0.512 nan 8.240 nan 0.000 0.537 366 L N 1.538 122.908 121.223 0.244 0.000 2.064 366 L HA -0.169 4.171 4.340 0.000 0.000 0.216 366 L C 2.151 179.134 176.870 0.189 0.000 1.077 366 L CA 2.628 57.585 54.840 0.196 0.000 0.766 366 L CB -1.497 40.653 42.059 0.152 0.000 0.890 366 L HN 1.003 nan 8.230 nan 0.000 0.435 367 D N -1.883 118.631 120.400 0.190 0.000 2.355 367 D HA 0.020 4.660 4.640 0.000 0.000 0.218 367 D C 1.533 177.949 176.300 0.193 0.000 1.004 367 D CA 0.911 55.013 54.000 0.169 0.000 0.880 367 D CB -0.352 40.536 40.800 0.146 0.000 0.911 367 D HN 0.404 nan 8.370 nan 0.000 0.528 368 G N 0.786 109.744 108.800 0.263 0.000 2.155 368 G HA2 -0.324 3.636 3.960 0.000 0.000 0.257 368 G HA3 -0.324 3.636 3.960 0.000 0.000 0.257 368 G C 0.787 175.899 174.900 0.352 0.000 0.983 368 G CA 0.365 45.653 45.100 0.314 0.000 0.676 368 G HN 0.400 nan 8.290 nan 0.000 0.528 369 N N 0.108 118.978 118.700 0.282 0.000 2.280 369 N HA 0.207 4.947 4.740 0.000 0.000 0.192 369 N C 0.782 176.397 175.510 0.176 0.000 1.109 369 N CA 1.063 54.243 53.050 0.216 0.000 0.855 369 N CB 0.637 39.209 38.487 0.141 0.000 0.974 369 N HN 0.963 nan 8.380 nan 0.000 0.482 370 S N -0.241 115.587 115.700 0.214 0.000 2.565 370 S HA 0.741 5.211 4.470 0.000 0.000 0.269 370 S C -1.079 173.544 174.600 0.038 0.000 1.153 370 S CA -0.975 57.201 58.200 -0.040 0.000 0.835 370 S CB 1.561 64.641 63.200 -0.199 0.000 1.122 370 S HN 0.115 nan 8.310 nan 0.000 0.462 371 F N -1.594 118.157 119.950 -0.332 0.000 2.686 371 F HA 0.842 5.369 4.527 0.000 0.000 0.311 371 F C -2.093 173.538 175.800 -0.283 0.000 1.128 371 F CA -1.515 56.248 58.000 -0.395 0.000 0.946 371 F CB 0.519 38.838 39.000 -1.135 0.000 1.336 371 F HN 0.611 nan 8.300 nan 0.000 0.457 372 Y N 1.072 121.525 120.300 0.255 0.000 2.420 372 Y HA 0.718 5.268 4.550 0.000 0.000 0.334 372 Y C -0.191 175.897 175.900 0.313 0.000 1.094 372 Y CA -0.901 57.337 58.100 0.230 0.000 1.126 372 Y CB 2.104 40.639 38.460 0.126 0.000 1.217 372 Y HN 0.754 nan 8.280 nan 0.000 0.462 373 K N 2.399 123.045 120.400 0.410 0.000 2.557 373 K HA 0.478 4.798 4.320 0.000 0.000 0.257 373 K C -1.908 174.844 176.600 0.253 0.000 0.933 373 K CA -0.504 55.988 56.287 0.342 0.000 0.820 373 K CB 1.536 34.242 32.500 0.343 0.000 1.330 373 K HN 0.722 nan 8.250 nan 0.000 0.432 374 I N 6.405 127.094 120.570 0.198 0.000 2.396 374 I HA 0.297 4.467 4.170 0.000 0.000 0.289 374 I C 0.169 176.378 176.117 0.153 0.000 1.056 374 I CA -0.420 60.969 61.300 0.149 0.000 1.365 374 I CB 0.380 38.447 38.000 0.112 0.000 1.407 374 I HN 0.489 nan 8.210 nan 0.000 0.509 375 I N 2.560 123.240 120.570 0.184 0.000 2.994 375 I HA 0.495 4.665 4.170 0.000 0.000 0.306 375 I C -0.142 176.075 176.117 0.165 0.000 1.195 375 I CA -0.836 60.567 61.300 0.172 0.000 1.001 375 I CB 2.299 40.427 38.000 0.213 0.000 1.244 375 I HN 0.484 nan 8.210 nan 0.000 0.437 376 S N 2.940 118.675 115.700 0.060 0.000 2.528 376 S HA 0.260 4.730 4.470 0.000 0.000 0.277 376 S C -0.054 174.553 174.600 0.011 0.000 1.297 376 S CA -0.680 57.496 58.200 -0.039 0.000 1.052 376 S CB 0.038 63.151 63.200 -0.146 0.000 0.917 376 S HN 0.888 nan 8.310 nan 0.000 0.492 377 N N 2.330 120.925 118.700 -0.175 0.000 2.322 377 N HA 0.130 4.870 4.740 0.000 0.000 0.270 377 N C 0.379 175.792 175.510 -0.161 0.000 1.286 377 N CA -0.812 52.013 53.050 -0.375 0.000 0.948 377 N CB 0.330 38.234 38.487 -0.971 0.000 1.164 377 N HN 0.575 nan 8.380 nan 0.000 0.551 378 E N -0.267 119.847 120.200 -0.144 0.000 2.333 378 E HA -0.146 4.204 4.350 0.000 0.000 0.198 378 E C 0.565 177.119 176.600 -0.075 0.000 1.007 378 E CA 0.892 57.249 56.400 -0.071 0.000 0.845 378 E CB -0.124 29.546 29.700 -0.050 0.000 0.766 378 E HN 0.573 nan 8.360 nan 0.000 0.507 379 E N -0.340 119.810 120.200 -0.083 0.000 2.444 379 E HA 0.072 4.422 4.350 0.000 0.000 0.191 379 E C 0.779 177.374 176.600 -0.010 0.000 1.041 379 E CA 0.198 56.597 56.400 -0.002 0.000 0.883 379 E CB 0.327 30.057 29.700 0.049 0.000 1.024 379 E HN 0.312 nan 8.360 nan 0.000 0.470 380 G N 0.899 109.619 108.800 -0.133 0.000 2.162 380 G HA2 -0.307 3.653 3.960 0.000 0.000 0.260 380 G HA3 -0.307 3.653 3.960 0.000 0.000 0.260 380 G C -0.117 174.501 174.900 -0.470 0.000 0.976 380 G CA 0.444 45.360 45.100 -0.307 0.000 0.655 380 G HN 0.247 nan 8.290 nan 0.000 0.533 381 Y N 0.316 120.467 120.300 -0.249 0.000 2.342 381 Y HA 0.616 5.166 4.550 0.000 0.000 0.334 381 Y C 1.202 176.883 175.900 -0.364 0.000 1.067 381 Y CA -0.884 57.035 58.100 -0.302 0.000 1.128 381 Y CB 1.008 39.302 38.460 -0.277 0.000 1.200 381 Y HN 0.069 nan 8.280 nan 0.000 0.464 382 R N 3.875 124.184 120.500 -0.318 0.000 2.248 382 R HA 0.257 4.597 4.340 0.000 0.000 0.328 382 R C -0.791 175.176 176.300 -0.555 0.000 1.067 382 R CA -0.077 55.847 56.100 -0.293 0.000 0.924 382 R CB 0.081 30.275 30.300 -0.175 0.000 1.013 382 R HN 0.655 nan 8.270 nan 0.000 0.454 383 H N 1.788 120.783 119.070 -0.125 0.000 2.949 383 H HA 0.348 4.904 4.556 0.000 0.000 0.356 383 H C -0.078 175.276 175.328 0.043 0.000 1.212 383 H CA -0.950 54.999 56.048 -0.166 0.000 1.136 383 H CB 1.681 31.234 29.762 -0.349 0.000 1.869 383 H HN 0.321 nan 8.280 nan 0.000 0.556 384 I N 2.342 122.968 120.570 0.092 0.000 2.416 384 I HA 0.094 4.264 4.170 0.000 0.000 0.288 384 I C 0.697 176.858 176.117 0.074 0.000 1.051 384 I CA -0.227 61.111 61.300 0.063 0.000 1.375 384 I CB 0.172 38.122 38.000 -0.084 0.000 1.407 384 I HN 0.405 nan 8.210 nan 0.000 0.516 385 c N 5.304 123.881 118.600 -0.038 0.000 2.561 385 c HA 0.520 5.090 4.570 0.000 0.000 0.319 385 c C -0.366 173.526 174.090 -0.330 0.000 1.198 385 c CA -1.052 55.051 56.329 -0.376 0.000 1.665 385 c CB 1.138 42.968 42.510 -1.132 0.000 2.258 385 c HN 0.699 nan 8.230 nan 0.000 0.493 386 Y N 2.222 122.168 120.300 -0.590 0.000 2.336 386 Y HA 0.651 5.201 4.550 0.000 0.000 0.335 386 Y C -0.949 174.463 175.900 -0.814 0.000 1.046 386 Y CA -1.064 56.611 58.100 -0.708 0.000 1.198 386 Y CB 0.255 38.406 38.460 -0.515 0.000 1.182 386 Y HN 0.729 nan 8.280 nan 0.000 0.502 387 F N 3.712 122.947 119.950 -1.192 0.000 2.508 387 F HA 0.478 5.005 4.527 0.000 0.000 0.325 387 F C -0.252 174.769 175.800 -1.299 0.000 1.090 387 F CA -0.786 56.427 58.000 -1.312 0.000 0.945 387 F CB 1.872 39.644 39.000 -2.047 0.000 1.156 387 F HN 0.331 nan 8.300 nan 0.000 0.463 388 Q N 2.770 122.221 119.800 -0.582 0.000 2.316 388 Q HA 0.376 4.716 4.340 0.000 0.000 0.264 388 Q C 1.279 177.238 176.000 -0.068 0.000 0.987 388 Q CA -0.485 55.102 55.803 -0.360 0.000 0.852 388 Q CB 1.972 30.550 28.738 -0.267 0.000 1.287 388 Q HN 0.770 nan 8.270 nan 0.000 0.448 389 I N -0.171 120.449 120.570 0.084 0.000 2.479 389 I HA -0.231 3.939 4.170 0.000 0.000 0.258 389 I C 0.614 176.929 176.117 0.330 0.000 1.165 389 I CA 1.592 63.095 61.300 0.338 0.000 1.422 389 I CB -0.093 38.110 38.000 0.338 0.000 1.087 389 I HN 0.596 nan 8.210 nan 0.000 0.441 390 D N 1.069 121.563 120.400 0.157 0.000 2.535 390 D HA 0.131 4.771 4.640 0.000 0.000 0.229 390 D C 0.217 176.530 176.300 0.021 0.000 1.238 390 D CA -0.343 53.698 54.000 0.068 0.000 0.824 390 D CB 0.275 41.099 40.800 0.040 0.000 1.045 390 D HN 0.430 nan 8.370 nan 0.000 0.500 391 K N 0.926 121.362 120.400 0.061 0.000 2.376 391 K HA 0.226 4.546 4.320 0.000 0.000 0.257 391 K C 0.661 177.305 176.600 0.073 0.000 0.939 391 K CA -0.649 55.645 56.287 0.012 0.000 0.809 391 K CB 1.633 34.108 32.500 -0.043 0.000 1.121 391 K HN -0.386 nan 8.250 nan 0.000 0.425 392 K N 1.258 121.662 120.400 0.007 0.000 2.228 392 K HA 0.021 4.341 4.320 0.000 0.000 0.202 392 K C -0.284 176.356 176.600 0.067 0.000 1.051 392 K CA 0.863 57.180 56.287 0.050 0.000 0.960 392 K CB 0.094 32.580 32.500 -0.024 0.000 0.743 392 K HN 0.603 nan 8.250 nan 0.000 0.458 393 D N 1.453 121.827 120.400 -0.042 0.000 2.295 393 D HA 0.050 4.690 4.640 0.000 0.000 0.248 393 D C 0.380 176.490 176.300 -0.316 0.000 1.154 393 D CA -0.205 53.712 54.000 -0.139 0.000 0.857 393 D CB 1.099 41.828 40.800 -0.118 0.000 1.117 393 D HN 0.153 nan 8.370 nan 0.000 0.468 394 c N 1.097 119.349 118.600 -0.581 0.000 2.335 394 c HA 0.734 5.304 4.570 0.000 0.000 0.363 394 c C 0.361 174.014 174.090 -0.727 0.000 1.198 394 c CA -0.527 55.192 56.329 -1.017 0.000 2.279 394 c CB 0.946 42.194 42.510 -2.104 0.000 2.334 394 c HN 0.475 nan 8.230 nan 0.000 0.559 395 T N 2.629 116.799 114.554 -0.641 0.000 2.772 395 T HA 0.451 4.801 4.350 0.000 0.000 0.288 395 T C -0.574 173.877 174.700 -0.415 0.000 0.994 395 T CA 0.155 62.030 62.100 -0.376 0.000 0.951 395 T CB 0.142 68.935 68.868 -0.125 0.000 0.933 395 T HN 0.499 nan 8.240 nan 0.000 0.447 396 F N 3.244 123.050 119.950 -0.240 0.000 2.529 396 F HA 0.236 4.763 4.527 0.000 0.000 0.365 396 F C 1.638 177.240 175.800 -0.331 0.000 1.102 396 F CA -0.776 57.069 58.000 -0.258 0.000 1.271 396 F CB 0.410 39.274 39.000 -0.227 0.000 1.120 396 F HN 0.566 nan 8.300 nan 0.000 0.579 397 I N -1.261 119.172 120.570 -0.228 0.000 4.139 397 I HA 0.242 4.412 4.170 0.000 0.000 0.335 397 I C 0.109 176.045 176.117 -0.302 0.000 1.327 397 I CA -0.037 60.936 61.300 -0.546 0.000 1.112 397 I CB 0.078 37.469 38.000 -1.016 0.000 1.058 397 I HN 0.463 nan 8.210 nan 0.000 0.396 398 T N -1.685 112.723 114.554 -0.244 0.000 2.908 398 T HA 0.467 4.817 4.350 0.000 0.000 0.290 398 T C 0.208 174.500 174.700 -0.680 0.000 1.034 398 T CA -0.764 61.161 62.100 -0.291 0.000 1.010 398 T CB 2.613 71.356 68.868 -0.209 0.000 1.068 398 T HN 0.086 nan 8.240 nan 0.000 0.481 399 K N 0.536 120.625 120.400 -0.518 0.000 2.616 399 K HA 0.145 4.465 4.320 0.000 0.000 0.318 399 K C 1.410 177.313 176.600 -1.162 0.000 0.677 399 K CA 1.455 57.394 56.287 -0.580 0.000 0.846 399 K CB -0.728 31.856 32.500 0.140 0.000 0.294 399 K HN 0.828 nan 8.250 nan 0.000 1.052 400 G N -1.291 107.014 108.800 -0.825 0.000 2.524 400 G HA2 -0.014 3.946 3.960 0.000 0.000 0.172 400 G HA3 -0.014 3.946 3.960 0.000 0.000 0.172 400 G C -0.118 174.291 174.900 -0.818 0.000 1.636 400 G CA -0.250 44.424 45.100 -0.710 0.000 0.732 400 G HN 0.439 nan 8.290 nan 0.000 0.753 401 T N 2.483 116.651 114.554 -0.642 0.000 4.210 401 T HA 0.236 4.586 4.350 0.000 0.000 0.247 401 T C -0.508 174.093 174.700 -0.165 0.000 0.883 401 T CA 0.584 62.264 62.100 -0.700 0.000 0.927 401 T CB -1.371 67.319 68.868 -0.296 0.000 1.271 401 T HN 0.443 nan 8.240 nan 0.000 0.692 402 W N -0.815 120.347 121.300 -0.230 0.000 2.882 402 W HA 0.509 5.170 4.660 0.000 0.000 0.382 402 W C -1.509 175.018 176.519 0.014 0.000 1.143 402 W CA -0.965 56.383 57.345 0.005 0.000 1.155 402 W CB 0.668 30.116 29.460 -0.020 0.000 1.466 402 W HN -0.047 nan 8.180 nan 0.000 0.570 403 E N 0.735 121.110 120.200 0.292 0.000 2.343 403 E HA 0.485 4.835 4.350 0.000 0.000 0.270 403 E C -1.200 175.512 176.600 0.186 0.000 0.895 403 E CA -1.160 55.199 56.400 -0.068 0.000 0.767 403 E CB 3.378 33.079 29.700 0.001 0.000 1.248 403 E HN 0.167 nan 8.360 nan 0.000 0.440 404 V N 3.336 123.229 119.914 -0.035 0.000 2.498 404 V HA 0.040 4.160 4.120 0.000 0.000 0.279 404 V C 1.122 177.304 176.094 0.147 0.000 1.048 404 V CA -0.088 62.307 62.300 0.159 0.000 0.967 404 V CB 0.828 32.641 31.823 -0.015 0.000 0.988 404 V HN 0.684 nan 8.190 nan 0.000 0.473 405 I N 2.812 123.496 120.570 0.190 0.000 2.494 405 I HA 0.281 4.451 4.170 0.000 0.000 0.250 405 I C 1.077 177.300 176.117 0.176 0.000 1.112 405 I CA 1.150 62.545 61.300 0.158 0.000 1.438 405 I CB -0.660 37.375 38.000 0.058 0.000 1.111 405 I HN 0.758 nan 8.210 nan 0.000 0.431 406 G N 0.730 109.639 108.800 0.181 0.000 2.616 406 G HA2 0.507 4.467 3.960 0.000 0.000 0.294 406 G HA3 0.507 4.467 3.960 0.000 0.000 0.294 406 G C -1.274 173.715 174.900 0.149 0.000 1.489 406 G CA -0.587 44.615 45.100 0.171 0.000 0.836 406 G HN -0.046 nan 8.290 nan 0.000 0.527 407 I N 1.574 122.168 120.570 0.041 0.000 2.325 407 I HA 0.239 4.409 4.170 0.000 0.000 0.291 407 I C 0.698 176.779 176.117 -0.060 0.000 1.019 407 I CA -0.540 60.689 61.300 -0.119 0.000 1.302 407 I CB 1.694 39.339 38.000 -0.592 0.000 1.401 407 I HN 0.502 nan 8.210 nan 0.000 0.485 408 E N 5.079 125.290 120.200 0.019 0.000 2.389 408 E HA 0.337 4.687 4.350 0.000 0.000 0.199 408 E C 0.121 176.627 176.600 -0.157 0.000 0.978 408 E CA 0.138 56.569 56.400 0.050 0.000 0.912 408 E CB 0.899 30.717 29.700 0.197 0.000 0.907 408 E HN 0.682 nan 8.360 nan 0.000 0.494 409 A N 0.569 123.224 122.820 -0.276 0.000 2.590 409 A HA 0.575 4.895 4.320 0.000 0.000 0.294 409 A C -1.839 175.643 177.584 -0.170 0.000 1.046 409 A CA -0.626 51.159 52.037 -0.419 0.000 0.684 409 A CB 1.009 19.213 19.000 -1.326 0.000 1.279 409 A HN 0.072 nan 8.150 nan 0.000 0.415 410 L N 2.502 123.675 121.223 -0.083 0.000 2.439 410 L HA 0.731 5.071 4.340 0.000 0.000 0.270 410 L C 0.125 177.017 176.870 0.037 0.000 0.972 410 L CA -0.085 54.751 54.840 -0.006 0.000 0.836 410 L CB 2.084 44.169 42.059 0.043 0.000 1.255 410 L HN 1.193 nan 8.230 nan 0.000 0.404 411 T N -0.909 113.690 114.554 0.074 0.000 2.841 411 T HA 0.310 4.660 4.350 0.000 0.000 0.276 411 T C 1.184 175.925 174.700 0.068 0.000 1.003 411 T CA 0.095 62.248 62.100 0.088 0.000 0.995 411 T CB 1.533 70.490 68.868 0.148 0.000 1.260 411 T HN 0.578 nan 8.240 nan 0.000 0.581 412 S N -0.127 115.611 115.700 0.062 0.000 2.402 412 S HA -0.087 4.383 4.470 0.000 0.000 0.229 412 S C 1.061 175.643 174.600 -0.030 0.000 1.021 412 S CA 1.295 59.516 58.200 0.034 0.000 0.974 412 S CB -0.762 62.460 63.200 0.037 0.000 0.800 412 S HN 0.745 nan 8.310 nan 0.000 0.484 413 D N 0.162 120.540 120.400 -0.037 0.000 2.146 413 D HA 0.225 4.865 4.640 0.000 0.000 0.209 413 D C -0.055 175.968 176.300 -0.462 0.000 0.973 413 D CA 1.036 54.898 54.000 -0.230 0.000 0.860 413 D CB 0.038 40.789 40.800 -0.081 0.000 1.015 413 D HN 0.473 nan 8.370 nan 0.000 0.465 414 Y N -0.903 119.344 120.300 -0.089 0.000 2.662 414 Y HA 0.559 5.109 4.550 0.000 0.000 0.335 414 Y C -0.691 175.063 175.900 -0.243 0.000 1.066 414 Y CA -1.268 56.700 58.100 -0.220 0.000 1.116 414 Y CB 1.563 39.763 38.460 -0.434 0.000 1.308 414 Y HN -0.231 nan 8.280 nan 0.000 0.502 415 L N 1.299 122.435 121.223 -0.144 0.000 2.362 415 L HA 0.602 4.942 4.340 0.000 0.000 0.275 415 L C -1.979 174.788 176.870 -0.171 0.000 0.998 415 L CA -0.649 54.085 54.840 -0.177 0.000 0.820 415 L CB 1.054 42.897 42.059 -0.359 0.000 1.270 415 L HN 0.590 nan 8.230 nan 0.000 0.415 416 Y N 4.639 124.871 120.300 -0.114 0.000 2.360 416 Y HA 0.574 5.124 4.550 0.000 0.000 0.337 416 Y C -0.393 175.518 175.900 0.019 0.000 1.039 416 Y CA -0.434 57.606 58.100 -0.100 0.000 1.109 416 Y CB 1.380 39.696 38.460 -0.240 0.000 1.201 416 Y HN 0.536 nan 8.280 nan 0.000 0.458 417 Y N -0.191 120.164 120.300 0.091 0.000 2.655 417 Y HA 0.832 5.382 4.550 0.000 0.000 0.336 417 Y C -1.808 174.171 175.900 0.132 0.000 1.154 417 Y CA -1.959 56.186 58.100 0.074 0.000 1.055 417 Y CB 1.204 39.682 38.460 0.030 0.000 1.295 417 Y HN 0.415 nan 8.280 nan 0.000 0.465 418 I N 2.766 123.489 120.570 0.255 0.000 2.474 418 I HA 0.676 4.846 4.170 0.000 0.000 0.294 418 I C -0.424 175.856 176.117 0.271 0.000 1.005 418 I CA -0.523 60.874 61.300 0.161 0.000 1.113 418 I CB 2.112 40.170 38.000 0.097 0.000 1.289 418 I HN 0.891 nan 8.210 nan 0.000 0.436 419 S N 2.915 118.738 115.700 0.205 0.000 2.671 419 S HA 0.416 4.886 4.470 0.000 0.000 0.277 419 S C -0.645 174.004 174.600 0.082 0.000 1.165 419 S CA -0.854 57.475 58.200 0.215 0.000 0.822 419 S CB 1.680 65.079 63.200 0.331 0.000 1.150 419 S HN 0.645 nan 8.310 nan 0.000 0.479 420 N N -0.426 118.331 118.700 0.095 0.000 2.321 420 N HA 0.150 4.890 4.740 0.000 0.000 0.242 420 N C 0.569 176.051 175.510 -0.047 0.000 1.141 420 N CA -0.148 52.908 53.050 0.010 0.000 0.864 420 N CB 0.257 38.739 38.487 -0.008 0.000 1.100 420 N HN 0.826 nan 8.380 nan 0.000 0.510 421 E N -0.005 120.012 120.200 -0.305 0.000 2.077 421 E HA -0.221 4.129 4.350 0.000 0.000 0.193 421 E C -0.306 176.135 176.600 -0.265 0.000 0.989 421 E CA 0.352 56.324 56.400 -0.714 0.000 0.800 421 E CB -0.137 28.503 29.700 -1.767 0.000 0.746 421 E HN 0.380 nan 8.360 nan 0.000 0.452 422 Y N 1.848 122.046 120.300 -0.171 0.000 2.865 422 Y HA -0.123 4.427 4.550 0.000 0.000 0.338 422 Y C 0.309 176.162 175.900 -0.078 0.000 1.269 422 Y CA 0.820 58.872 58.100 -0.080 0.000 1.585 422 Y CB 0.048 38.488 38.460 -0.032 0.000 1.224 422 Y HN 0.110 nan 8.280 nan 0.000 0.554 423 K N 3.238 123.351 120.400 -0.478 0.000 3.193 423 K HA -0.219 4.101 4.320 0.000 0.000 0.294 423 K C 0.797 177.310 176.600 -0.145 0.000 1.185 423 K CA 1.216 57.284 56.287 -0.366 0.000 0.866 423 K CB -1.666 30.580 32.500 -0.424 0.000 1.227 423 K HN 1.296 nan 8.250 nan 0.000 0.467 424 G N -0.067 108.663 108.800 -0.117 0.000 2.258 424 G HA2 -0.350 3.610 3.960 0.000 0.000 0.274 424 G HA3 -0.350 3.610 3.960 0.000 0.000 0.274 424 G C 0.025 174.885 174.900 -0.067 0.000 1.021 424 G CA 0.740 45.815 45.100 -0.043 0.000 0.798 424 G HN 0.311 nan 8.290 nan 0.000 0.507 425 M N 0.901 120.397 119.600 -0.174 0.000 2.151 425 M HA 0.193 4.673 4.480 0.000 0.000 0.349 425 M C -0.932 175.109 176.300 -0.431 0.000 1.284 425 M CA -1.846 53.193 55.300 -0.436 0.000 1.173 425 M CB 1.233 33.651 32.600 -0.303 0.000 1.469 425 M HN -0.071 nan 8.290 nan 0.000 0.439 426 P HA -0.116 nan 4.420 nan 0.000 0.223 426 P C 1.016 178.162 177.300 -0.257 0.000 1.144 426 P CA 1.245 64.156 63.100 -0.315 0.000 0.783 426 P CB 0.111 31.633 31.700 -0.296 0.000 0.771 427 G N -0.799 107.781 108.800 -0.366 0.000 3.189 427 G HA2 0.315 4.275 3.960 0.000 0.000 0.225 427 G HA3 0.315 4.275 3.960 0.000 0.000 0.225 427 G C 0.652 175.538 174.900 -0.023 0.000 1.159 427 G CA 0.085 45.102 45.100 -0.138 0.000 0.763 427 G HN 0.417 nan 8.290 nan 0.000 0.549 428 G N -0.355 108.376 108.800 -0.115 0.000 2.471 428 G HA2 0.640 4.600 3.960 0.000 0.000 0.332 428 G HA3 0.640 4.600 3.960 0.000 0.000 0.332 428 G C -1.004 173.757 174.900 -0.231 0.000 1.176 428 G CA -0.930 44.129 45.100 -0.069 0.000 0.949 428 G HN 0.195 nan 8.290 nan 0.000 0.488 429 R N 0.362 120.677 120.500 -0.309 0.000 2.533 429 R HA 0.396 4.736 4.340 0.000 0.000 0.288 429 R C -1.096 175.153 176.300 -0.085 0.000 1.039 429 R CA -0.589 55.303 56.100 -0.347 0.000 0.909 429 R CB 1.400 31.194 30.300 -0.843 0.000 1.195 429 R HN 0.572 nan 8.270 nan 0.000 0.438 430 N N 2.648 121.339 118.700 -0.015 0.000 2.284 430 N HA 0.339 5.079 4.740 0.000 0.000 0.289 430 N C -1.726 173.713 175.510 -0.118 0.000 1.179 430 N CA -0.760 52.240 53.050 -0.082 0.000 0.774 430 N CB 2.316 40.662 38.487 -0.236 0.000 1.548 430 N HN 0.283 nan 8.380 nan 0.000 0.473 431 L N 2.396 123.410 121.223 -0.348 0.000 2.265 431 L HA 0.459 4.799 4.340 0.000 0.000 0.288 431 L C -1.371 175.196 176.870 -0.504 0.000 1.058 431 L CA 0.056 54.706 54.840 -0.317 0.000 0.809 431 L CB -0.230 41.620 42.059 -0.347 0.000 1.179 431 L HN 0.408 nan 8.230 nan 0.000 0.429 432 Y N 3.561 123.522 120.300 -0.565 0.000 2.659 432 Y HA 0.689 5.239 4.550 0.000 0.000 0.333 432 Y C -0.444 175.101 175.900 -0.592 0.000 1.064 432 Y CA -0.947 56.772 58.100 -0.636 0.000 1.141 432 Y CB 1.573 39.497 38.460 -0.893 0.000 1.316 432 Y HN 0.548 nan 8.280 nan 0.000 0.509 433 K N 1.224 121.459 120.400 -0.276 0.000 2.535 433 K HA 0.669 4.989 4.320 0.000 0.000 0.251 433 K C -2.084 174.465 176.600 -0.085 0.000 0.942 433 K CA -0.633 55.425 56.287 -0.381 0.000 0.798 433 K CB 2.404 34.399 32.500 -0.841 0.000 1.267 433 K HN 0.752 nan 8.250 nan 0.000 0.434 434 I N 2.119 122.735 120.570 0.076 0.000 2.441 434 I HA 0.190 4.360 4.170 0.000 0.000 0.295 434 I C -0.608 175.646 176.117 0.228 0.000 0.994 434 I CA -0.786 60.633 61.300 0.198 0.000 1.144 434 I CB 1.969 40.103 38.000 0.224 0.000 1.314 434 I HN 0.857 nan 8.210 nan 0.000 0.445 435 Q N 5.558 125.474 119.800 0.192 0.000 2.307 435 Q HA 0.095 4.435 4.340 0.000 0.000 0.261 435 Q C 0.237 176.160 176.000 -0.129 0.000 1.051 435 Q CA -0.497 55.233 55.803 -0.123 0.000 0.911 435 Q CB 1.112 29.793 28.738 -0.095 0.000 1.227 435 Q HN 0.769 nan 8.270 nan 0.000 0.418 436 L N 3.166 124.258 121.223 -0.218 0.000 2.187 436 L HA -0.216 4.124 4.340 0.000 0.000 0.213 436 L C 2.204 178.908 176.870 -0.275 0.000 1.100 436 L CA 1.984 56.749 54.840 -0.125 0.000 0.765 436 L CB -0.613 41.363 42.059 -0.139 0.000 0.904 436 L HN 0.726 nan 8.230 nan 0.000 0.437 437 S N -3.018 112.502 115.700 -0.300 0.000 2.548 437 S HA 0.081 4.551 4.470 0.000 0.000 0.215 437 S C 0.483 174.871 174.600 -0.354 0.000 0.976 437 S CA 0.065 58.082 58.200 -0.305 0.000 0.908 437 S CB 0.084 63.157 63.200 -0.213 0.000 0.781 437 S HN 0.371 nan 8.310 nan 0.000 0.519 438 D N -0.031 120.158 120.400 -0.353 0.000 2.351 438 D HA 0.239 4.879 4.640 0.000 0.000 0.235 438 D C -0.411 175.803 176.300 -0.143 0.000 1.331 438 D CA -0.591 53.245 54.000 -0.273 0.000 0.959 438 D CB -0.013 40.704 40.800 -0.139 0.000 1.432 438 D HN -0.032 nan 8.370 nan 0.000 0.544 439 Y N 0.828 121.108 120.300 -0.033 0.000 2.556 439 Y HA -0.108 4.442 4.550 0.000 0.000 0.290 439 Y C 2.556 178.460 175.900 0.007 0.000 1.149 439 Y CA 1.475 59.567 58.100 -0.014 0.000 1.329 439 Y CB -0.954 37.495 38.460 -0.019 0.000 0.975 439 Y HN 0.434 nan 8.280 nan 0.000 0.561 440 T N -3.034 111.588 114.554 0.114 0.000 3.085 440 T HA -0.012 4.338 4.350 0.000 0.000 0.263 440 T C 0.653 175.400 174.700 0.077 0.000 1.127 440 T CA 0.233 62.382 62.100 0.081 0.000 1.103 440 T CB -0.071 68.821 68.868 0.040 0.000 0.921 440 T HN -0.136 nan 8.240 nan 0.000 0.510 441 K N 2.447 122.896 120.400 0.080 0.000 2.257 441 K HA 0.554 4.874 4.320 0.000 0.000 0.270 441 K C -1.118 175.556 176.600 0.122 0.000 1.098 441 K CA -0.406 55.931 56.287 0.084 0.000 0.943 441 K CB 1.256 33.797 32.500 0.067 0.000 1.316 441 K HN 0.170 nan 8.250 nan 0.000 0.447 442 V N 2.262 122.245 119.914 0.115 0.000 2.540 442 V HA 0.437 4.557 4.120 0.000 0.000 0.302 442 V C -0.083 176.066 176.094 0.091 0.000 1.035 442 V CA -0.696 61.685 62.300 0.135 0.000 0.873 442 V CB 2.138 34.068 31.823 0.178 0.000 0.992 442 V HN 0.608 nan 8.190 nan 0.000 0.428 443 T N 2.737 117.314 114.554 0.037 0.000 2.863 443 T HA 0.367 4.717 4.350 0.000 0.000 0.285 443 T C -0.694 173.916 174.700 -0.149 0.000 1.009 443 T CA -0.370 61.696 62.100 -0.057 0.000 0.989 443 T CB 1.648 70.434 68.868 -0.137 0.000 1.004 443 T HN 0.775 nan 8.240 nan 0.000 0.455 444 C N 4.623 123.740 119.300 -0.306 0.000 2.295 444 C HA 0.507 4.968 4.460 0.000 0.000 0.331 444 C C 1.136 175.793 174.990 -0.554 0.000 1.280 444 C CA -0.749 57.819 59.018 -0.750 0.000 1.746 444 C CB -1.182 25.970 27.740 -0.980 0.000 2.328 444 C HN 0.830 nan 8.230 nan 0.000 0.521 445 L N 4.968 125.849 121.223 -0.571 0.000 2.513 445 L HA 0.132 4.472 4.340 0.000 0.000 0.222 445 L C 2.202 178.761 176.870 -0.518 0.000 1.096 445 L CA 1.175 55.755 54.840 -0.434 0.000 0.857 445 L CB -0.965 40.889 42.059 -0.341 0.000 1.026 445 L HN 0.909 nan 8.230 nan 0.000 0.469 446 S N -2.992 112.295 115.700 -0.688 0.000 2.539 446 S HA -0.039 4.431 4.470 0.000 0.000 0.226 446 S C 2.079 176.322 174.600 -0.595 0.000 1.054 446 S CA 0.201 57.893 58.200 -0.846 0.000 0.910 446 S CB -0.427 61.892 63.200 -1.468 0.000 0.818 446 S HN 0.269 nan 8.310 nan 0.000 0.490 447 C N 2.276 121.178 119.300 -0.663 0.000 2.363 447 C HA -0.087 4.373 4.460 0.000 0.000 0.274 447 C C 2.600 177.304 174.990 -0.476 0.000 1.183 447 C CA 1.587 60.131 59.018 -0.789 0.000 1.771 447 C CB -1.139 25.906 27.740 -1.159 0.000 2.059 447 C HN 0.562 nan 8.230 nan 0.000 0.455 448 E N 0.008 120.008 120.200 -0.333 0.000 2.479 448 E HA 0.164 4.514 4.350 0.000 0.000 0.193 448 E C 1.946 178.492 176.600 -0.090 0.000 1.049 448 E CA 0.022 56.325 56.400 -0.160 0.000 0.870 448 E CB -0.329 29.293 29.700 -0.131 0.000 0.944 448 E HN 0.588 nan 8.360 nan 0.000 0.492 449 L N 0.256 121.421 121.223 -0.096 0.000 2.013 449 L HA -0.130 4.210 4.340 0.000 0.000 0.212 449 L C 1.062 177.941 176.870 0.015 0.000 1.073 449 L CA 1.093 55.916 54.840 -0.027 0.000 0.753 449 L CB -0.089 41.968 42.059 -0.004 0.000 0.890 449 L HN 0.095 nan 8.230 nan 0.000 0.432 450 N N -1.467 117.257 118.700 0.041 0.000 2.785 450 N HA 0.083 4.823 4.740 0.000 0.000 0.224 450 N C -2.055 173.479 175.510 0.039 0.000 1.448 450 N CA -0.924 52.145 53.050 0.032 0.000 0.748 450 N CB 0.734 39.237 38.487 0.027 0.000 1.385 450 N HN -0.162 nan 8.380 nan 0.000 0.538 451 P HA -0.198 nan 4.420 nan 0.000 0.217 451 P C 0.957 178.299 177.300 0.071 0.000 1.148 451 P CA 1.164 64.313 63.100 0.081 0.000 0.834 451 P CB 0.676 32.438 31.700 0.102 0.000 0.783 452 E N 0.076 120.301 120.200 0.040 0.000 2.076 452 E HA -0.120 4.230 4.350 0.000 0.000 0.190 452 E C 2.238 178.842 176.600 0.006 0.000 0.979 452 E CA 0.717 57.133 56.400 0.027 0.000 0.807 452 E CB -0.167 29.542 29.700 0.016 0.000 0.761 452 E HN 0.172 nan 8.360 nan 0.000 0.454 453 R N -0.944 119.548 120.500 -0.013 0.000 2.223 453 R HA 0.102 4.442 4.340 0.000 0.000 0.198 453 R C -0.174 176.079 176.300 -0.078 0.000 0.984 453 R CA 0.403 56.474 56.100 -0.049 0.000 1.018 453 R CB 0.327 30.590 30.300 -0.061 0.000 0.945 453 R HN 0.031 nan 8.270 nan 0.000 0.479 454 c N 0.710 119.270 118.600 -0.066 0.000 2.383 454 c HA 0.409 4.979 4.570 0.000 0.000 0.330 454 c C -0.020 174.014 174.090 -0.093 0.000 1.168 454 c CA -0.688 55.537 56.329 -0.174 0.000 1.374 454 c CB 1.506 43.867 42.510 -0.249 0.000 2.014 454 c HN 0.509 nan 8.230 nan 0.000 0.439 455 Q N 0.384 120.126 119.800 -0.096 0.000 2.113 455 Q HA 0.204 4.544 4.340 0.000 0.000 0.225 455 Q C -0.980 175.044 176.000 0.040 0.000 0.786 455 Q CA 0.098 55.922 55.803 0.035 0.000 0.989 455 Q CB 1.345 30.138 28.738 0.091 0.000 1.174 455 Q HN 0.786 nan 8.270 nan 0.000 0.470 456 Y N 0.420 120.582 120.300 -0.230 0.000 2.333 456 Y HA 0.395 4.945 4.550 0.000 0.000 0.324 456 Y C -1.634 174.097 175.900 -0.282 0.000 1.033 456 Y CA -1.057 56.945 58.100 -0.163 0.000 1.224 456 Y CB 0.804 39.190 38.460 -0.123 0.000 1.120 456 Y HN -0.085 nan 8.280 nan 0.000 0.457 457 Y N 2.249 122.501 120.300 -0.079 0.000 2.509 457 Y HA 0.675 5.225 4.550 0.000 0.000 0.341 457 Y C 0.109 175.979 175.900 -0.048 0.000 1.038 457 Y CA -0.620 57.447 58.100 -0.056 0.000 1.089 457 Y CB 2.327 40.717 38.460 -0.117 0.000 1.241 457 Y HN 0.518 nan 8.280 nan 0.000 0.468 458 S N 0.843 116.659 115.700 0.194 0.000 2.632 458 S HA 0.885 5.355 4.470 0.000 0.000 0.289 458 S C -1.595 173.087 174.600 0.136 0.000 1.115 458 S CA -0.776 57.512 58.200 0.146 0.000 0.889 458 S CB 1.882 65.177 63.200 0.158 0.000 1.116 458 S HN 0.649 nan 8.310 nan 0.000 0.486 459 V N 0.270 120.261 119.914 0.130 0.000 3.049 459 V HA 0.867 4.987 4.120 0.000 0.000 0.309 459 V C -1.315 174.873 176.094 0.157 0.000 1.148 459 V CA -0.241 62.112 62.300 0.088 0.000 0.990 459 V CB 2.307 34.099 31.823 -0.052 0.000 1.039 459 V HN 1.226 nan 8.190 nan 0.000 0.430 460 S N 4.626 120.412 115.700 0.144 0.000 2.789 460 S HA 0.671 5.141 4.470 0.000 0.000 0.286 460 S C -1.179 173.562 174.600 0.236 0.000 1.153 460 S CA -0.389 57.991 58.200 0.300 0.000 1.084 460 S CB 0.367 63.815 63.200 0.414 0.000 1.036 460 S HN 0.503 nan 8.310 nan 0.000 0.484 461 F N 3.059 123.031 119.950 0.036 0.000 2.371 461 F HA 0.447 4.974 4.527 0.000 0.000 0.329 461 F C 1.475 176.806 175.800 -0.783 0.000 1.107 461 F CA -0.258 57.590 58.000 -0.252 0.000 1.137 461 F CB 1.234 40.080 39.000 -0.256 0.000 1.214 461 F HN 0.637 nan 8.300 nan 0.000 0.536 462 S N 1.810 116.877 115.700 -1.054 0.000 2.617 462 S HA 0.155 4.625 4.470 0.000 0.000 0.259 462 S C 1.178 175.529 174.600 -0.416 0.000 1.301 462 S CA -0.825 56.543 58.200 -1.388 0.000 0.984 462 S CB 0.707 63.229 63.200 -1.130 0.000 0.954 462 S HN 0.529 nan 8.310 nan 0.000 0.572 463 K N 0.818 121.125 120.400 -0.156 0.000 2.127 463 K HA -0.106 4.214 4.320 0.000 0.000 0.208 463 K C 0.827 177.413 176.600 -0.024 0.000 1.047 463 K CA 1.507 57.791 56.287 -0.004 0.000 0.927 463 K CB -0.415 32.138 32.500 0.087 0.000 0.716 463 K HN 0.667 nan 8.250 nan 0.000 0.450 464 E N -1.061 119.097 120.200 -0.069 0.000 2.651 464 E HA 0.256 4.606 4.350 0.000 0.000 0.208 464 E C -0.061 176.489 176.600 -0.082 0.000 0.997 464 E CA 0.083 56.453 56.400 -0.050 0.000 1.020 464 E CB 0.619 30.301 29.700 -0.031 0.000 1.052 464 E HN 0.210 nan 8.360 nan 0.000 0.465 465 A N 1.402 124.158 122.820 -0.106 0.000 2.872 465 A HA -0.310 4.010 4.320 0.000 0.000 0.273 465 A C 1.458 179.007 177.584 -0.059 0.000 1.442 465 A CA 1.652 53.653 52.037 -0.059 0.000 0.801 465 A CB -2.121 16.735 19.000 -0.240 0.000 1.031 465 A HN 0.262 nan 8.150 nan 0.000 0.582 466 K N -1.830 118.473 120.400 -0.162 0.000 2.243 466 K HA 0.205 4.525 4.320 0.000 0.000 0.201 466 K C 0.214 176.491 176.600 -0.539 0.000 1.051 466 K CA 1.242 57.331 56.287 -0.329 0.000 0.970 466 K CB 0.060 32.326 32.500 -0.390 0.000 0.755 466 K HN 0.663 nan 8.250 nan 0.000 0.465 467 Y N -1.172 119.042 120.300 -0.144 0.000 2.638 467 Y HA 0.353 4.903 4.550 0.000 0.000 0.339 467 Y C -1.106 174.687 175.900 -0.178 0.000 1.084 467 Y CA -1.239 56.777 58.100 -0.140 0.000 1.068 467 Y CB 1.779 40.182 38.460 -0.094 0.000 1.294 467 Y HN -0.010 nan 8.280 nan 0.000 0.480 468 Y N -1.198 119.060 120.300 -0.070 0.000 2.521 468 Y HA 0.448 4.998 4.550 0.000 0.000 0.328 468 Y C -1.492 174.416 175.900 0.012 0.000 1.151 468 Y CA -1.397 56.519 58.100 -0.306 0.000 1.054 468 Y CB 1.298 39.062 38.460 -1.160 0.000 1.338 468 Y HN 0.598 nan 8.280 nan 0.000 0.453 469 Q N 3.935 123.868 119.800 0.222 0.000 2.271 469 Q HA 0.603 4.943 4.340 0.000 0.000 0.258 469 Q C -1.775 174.315 176.000 0.150 0.000 0.936 469 Q CA -0.758 55.134 55.803 0.149 0.000 0.909 469 Q CB 1.422 30.228 28.738 0.114 0.000 1.253 469 Q HN 0.949 nan 8.270 nan 0.000 0.440 470 L N 4.366 125.683 121.223 0.155 0.000 2.309 470 L HA 0.547 4.887 4.340 0.000 0.000 0.282 470 L C -0.239 176.700 176.870 0.115 0.000 1.036 470 L CA -0.628 54.295 54.840 0.138 0.000 0.806 470 L CB 1.360 43.465 42.059 0.078 0.000 1.220 470 L HN 0.622 nan 8.230 nan 0.000 0.429 471 R N 2.590 123.149 120.500 0.098 0.000 2.371 471 R HA 0.299 4.639 4.340 0.000 0.000 0.312 471 R C -0.963 175.242 176.300 -0.158 0.000 0.980 471 R CA -0.535 55.457 56.100 -0.180 0.000 0.867 471 R CB 1.610 31.835 30.300 -0.124 0.000 1.163 471 R HN 0.587 nan 8.270 nan 0.000 0.492 472 c N 2.825 121.217 118.600 -0.345 0.000 2.347 472 c HA 0.361 4.931 4.570 0.000 0.000 0.353 472 c C 1.481 175.357 174.090 -0.357 0.000 1.273 472 c CA -0.242 55.748 56.329 -0.566 0.000 1.861 472 c CB 0.163 42.303 42.510 -0.616 0.000 2.420 472 c HN 0.962 nan 8.230 nan 0.000 0.542 473 S N 3.622 119.186 115.700 -0.227 0.000 2.650 473 S HA 0.606 5.076 4.470 0.000 0.000 0.240 473 S C 0.341 174.894 174.600 -0.078 0.000 1.007 473 S CA 0.217 58.344 58.200 -0.121 0.000 0.984 473 S CB 0.072 63.224 63.200 -0.079 0.000 0.910 473 S HN 1.877 nan 8.310 nan 0.000 0.509 474 G N 1.755 110.498 108.800 -0.096 0.000 2.325 474 G HA2 0.426 4.386 3.960 0.000 0.000 0.297 474 G HA3 0.426 4.386 3.960 0.000 0.000 0.297 474 G C -3.093 171.782 174.900 -0.041 0.000 1.448 474 G CA -0.654 44.431 45.100 -0.024 0.000 0.838 474 G HN -0.130 nan 8.290 nan 0.000 0.579 475 P HA 0.150 nan 4.420 nan 0.000 0.241 475 P C 1.187 178.513 177.300 0.042 0.000 1.191 475 P CA 1.076 64.206 63.100 0.049 0.000 0.771 475 P CB 0.622 32.349 31.700 0.045 0.000 0.929 476 G N 0.364 109.119 108.800 -0.075 0.000 2.531 476 G HA2 0.443 4.403 3.960 0.000 0.000 0.281 476 G HA3 0.443 4.403 3.960 0.000 0.000 0.281 476 G C -0.328 174.332 174.900 -0.399 0.000 1.382 476 G CA -0.766 44.209 45.100 -0.207 0.000 1.045 476 G HN 0.019 nan 8.290 nan 0.000 0.533 477 L N 1.127 122.054 121.223 -0.493 0.000 2.456 477 L HA 0.181 4.521 4.340 0.000 0.000 0.272 477 L C -1.887 174.841 176.870 -0.236 0.000 1.189 477 L CA -1.303 53.234 54.840 -0.505 0.000 0.846 477 L CB 0.780 42.609 42.059 -0.384 0.000 1.111 477 L HN 0.230 nan 8.230 nan 0.000 0.475 478 P HA -0.020 nan 4.420 nan 0.000 0.263 478 P C -0.948 176.311 177.300 -0.068 0.000 1.175 478 P CA 0.169 63.215 63.100 -0.090 0.000 0.761 478 P CB 0.462 32.200 31.700 0.063 0.000 0.794 479 L N 5.354 126.462 121.223 -0.192 0.000 2.439 479 L HA 0.465 4.805 4.340 0.000 0.000 0.270 479 L C -1.783 174.969 176.870 -0.198 0.000 0.972 479 L CA -0.670 54.116 54.840 -0.090 0.000 0.836 479 L CB 0.968 42.983 42.059 -0.074 0.000 1.255 479 L HN 0.210 nan 8.230 nan 0.000 0.404 480 Y N 2.730 123.007 120.300 -0.039 0.000 2.331 480 Y HA 0.738 5.288 4.550 0.000 0.000 0.338 480 Y C 0.554 176.367 175.900 -0.146 0.000 0.992 480 Y CA -0.463 57.592 58.100 -0.075 0.000 1.121 480 Y CB 2.020 40.404 38.460 -0.126 0.000 1.184 480 Y HN 0.669 nan 8.280 nan 0.000 0.469 481 T N 1.083 115.644 114.554 0.012 0.000 2.906 481 T HA 0.699 5.049 4.350 0.000 0.000 0.295 481 T C -1.508 173.093 174.700 -0.166 0.000 1.061 481 T CA -0.880 61.158 62.100 -0.104 0.000 1.000 481 T CB 1.894 70.750 68.868 -0.019 0.000 1.103 481 T HN 0.403 nan 8.240 nan 0.000 0.486 482 L N 2.254 123.254 121.223 -0.371 0.000 2.329 482 L HA 0.618 4.958 4.340 0.000 0.000 0.279 482 L C -0.790 175.723 176.870 -0.595 0.000 1.014 482 L CA -0.317 54.337 54.840 -0.310 0.000 0.814 482 L CB 1.138 43.067 42.059 -0.217 0.000 1.257 482 L HN 0.837 nan 8.230 nan 0.000 0.424 483 H N 1.650 120.461 119.070 -0.432 0.000 2.865 483 H HA 0.561 5.117 4.556 0.000 0.000 0.372 483 H C -0.906 174.196 175.328 -0.375 0.000 1.173 483 H CA -0.838 54.879 56.048 -0.552 0.000 1.147 483 H CB 2.106 31.206 29.762 -1.103 0.000 1.805 483 H HN 0.591 nan 8.280 nan 0.000 0.553 484 S N 0.370 116.021 115.700 -0.082 0.000 2.451 484 S HA 0.183 4.653 4.470 0.000 0.000 0.301 484 S C 0.646 175.202 174.600 -0.073 0.000 1.116 484 S CA -0.756 57.375 58.200 -0.115 0.000 1.093 484 S CB 1.609 64.764 63.200 -0.076 0.000 1.017 484 S HN 0.566 nan 8.310 nan 0.000 0.482 485 S N 2.406 118.075 115.700 -0.051 0.000 2.507 485 S HA -0.077 4.393 4.470 0.000 0.000 0.235 485 S C 1.815 176.445 174.600 0.051 0.000 0.988 485 S CA 0.794 59.068 58.200 0.122 0.000 0.944 485 S CB -0.568 62.698 63.200 0.110 0.000 0.762 485 S HN 0.662 nan 8.310 nan 0.000 0.526 486 V N 2.688 122.584 119.914 -0.030 0.000 2.255 486 V HA -0.174 3.946 4.120 0.000 0.000 0.247 486 V C 1.630 177.730 176.094 0.010 0.000 1.051 486 V CA 1.648 63.944 62.300 -0.008 0.000 1.018 486 V CB -0.471 31.333 31.823 -0.031 0.000 0.641 486 V HN 0.512 nan 8.190 nan 0.000 0.445 487 N N -1.897 116.805 118.700 0.005 0.000 2.159 487 N HA 0.081 4.821 4.740 0.000 0.000 0.217 487 N C -0.041 175.477 175.510 0.013 0.000 1.223 487 N CA 0.404 53.456 53.050 0.003 0.000 0.896 487 N CB 0.706 39.192 38.487 -0.001 0.000 1.064 487 N HN 0.412 nan 8.380 nan 0.000 0.518 488 D N 0.724 121.156 120.400 0.053 0.000 3.041 488 D HA -0.172 4.468 4.640 0.000 0.000 0.220 488 D C 0.182 176.530 176.300 0.080 0.000 1.157 488 D CA 0.808 54.871 54.000 0.106 0.000 0.876 488 D CB -0.992 39.848 40.800 0.068 0.000 1.107 488 D HN 0.408 nan 8.370 nan 0.000 0.422 489 K N 1.025 121.447 120.400 0.037 0.000 2.401 489 K HA 0.310 4.630 4.320 0.000 0.000 0.278 489 K C 0.622 177.216 176.600 -0.009 0.000 1.018 489 K CA 0.315 56.611 56.287 0.016 0.000 0.981 489 K CB 0.616 33.108 32.500 -0.013 0.000 0.933 489 K HN 0.058 nan 8.250 nan 0.000 0.477 490 G N 4.749 113.522 108.800 -0.045 0.000 2.360 490 G HA2 0.182 4.142 3.960 0.000 0.000 0.279 490 G HA3 0.182 4.142 3.960 0.000 0.000 0.279 490 G C 0.789 175.536 174.900 -0.256 0.000 1.189 490 G CA -0.547 44.374 45.100 -0.299 0.000 0.941 490 G HN 0.719 nan 8.290 nan 0.000 0.445 491 L N 1.892 122.928 121.223 -0.311 0.000 2.095 491 L HA 0.223 4.563 4.340 0.000 0.000 0.204 491 L C 1.654 178.421 176.870 -0.172 0.000 1.080 491 L CA 0.972 55.701 54.840 -0.185 0.000 0.759 491 L CB -0.349 41.623 42.059 -0.145 0.000 0.914 491 L HN 0.760 nan 8.230 nan 0.000 0.439 492 R N -2.400 117.960 120.500 -0.232 0.000 2.829 492 R HA 0.397 4.737 4.340 0.000 0.000 0.283 492 R C -1.679 174.494 176.300 -0.211 0.000 1.013 492 R CA -0.950 55.043 56.100 -0.178 0.000 0.848 492 R CB 1.236 31.460 30.300 -0.128 0.000 1.291 492 R HN -0.297 nan 8.270 nan 0.000 0.496 493 V N 2.622 122.443 119.914 -0.156 0.000 2.383 493 V HA 0.217 4.337 4.120 0.000 0.000 0.275 493 V C 1.210 177.192 176.094 -0.188 0.000 1.036 493 V CA -0.470 61.744 62.300 -0.144 0.000 0.889 493 V CB 1.195 32.969 31.823 -0.081 0.000 0.985 493 V HN 0.629 nan 8.190 nan 0.000 0.459 494 L N 2.758 123.809 121.223 -0.287 0.000 2.202 494 L HA 0.275 4.615 4.340 0.000 0.000 0.205 494 L C 0.704 177.417 176.870 -0.262 0.000 1.083 494 L CA 0.736 55.259 54.840 -0.529 0.000 0.790 494 L CB 0.210 41.560 42.059 -1.182 0.000 0.942 494 L HN 0.685 nan 8.230 nan 0.000 0.452 495 E N -0.115 120.039 120.200 -0.077 0.000 2.397 495 E HA 0.076 4.426 4.350 0.000 0.000 0.293 495 E C -1.226 175.449 176.600 0.126 0.000 0.930 495 E CA -0.304 56.132 56.400 0.060 0.000 0.793 495 E CB 1.031 30.776 29.700 0.076 0.000 1.259 495 E HN 0.140 nan 8.360 nan 0.000 0.406 496 D N 3.396 123.839 120.400 0.072 0.000 2.503 496 D HA 0.129 4.769 4.640 0.000 0.000 0.218 496 D C -0.338 175.984 176.300 0.036 0.000 1.183 496 D CA -0.277 53.752 54.000 0.048 0.000 0.827 496 D CB -0.079 40.727 40.800 0.011 0.000 1.034 496 D HN 0.464 nan 8.370 nan 0.000 0.510 497 N N 0.812 119.549 118.700 0.061 0.000 2.721 497 N HA -0.210 4.530 4.740 0.000 0.000 0.249 497 N C 1.001 176.525 175.510 0.022 0.000 1.072 497 N CA 0.899 53.977 53.050 0.047 0.000 0.710 497 N CB -1.227 37.282 38.487 0.037 0.000 0.993 497 N HN 0.491 nan 8.380 nan 0.000 0.547 498 S N -1.057 114.657 115.700 0.023 0.000 2.382 498 S HA -0.086 4.384 4.470 0.000 0.000 0.228 498 S C 2.114 176.731 174.600 0.028 0.000 1.027 498 S CA 1.031 59.240 58.200 0.016 0.000 0.991 498 S CB -0.189 63.021 63.200 0.016 0.000 0.823 498 S HN 0.529 nan 8.310 nan 0.000 0.469 499 A N 2.440 125.285 122.820 0.041 0.000 1.851 499 A HA -0.019 4.301 4.320 0.000 0.000 0.216 499 A C 2.260 179.887 177.584 0.071 0.000 1.195 499 A CA 1.776 53.845 52.037 0.054 0.000 0.622 499 A CB -1.133 17.901 19.000 0.058 0.000 0.831 499 A HN 0.508 nan 8.150 nan 0.000 0.444 500 L N 0.507 121.778 121.223 0.079 0.000 2.013 500 L HA -0.223 4.117 4.340 0.000 0.000 0.212 500 L C 2.004 178.913 176.870 0.065 0.000 1.073 500 L CA 2.955 57.859 54.840 0.106 0.000 0.753 500 L CB -0.969 41.149 42.059 0.099 0.000 0.890 500 L HN 0.580 nan 8.230 nan 0.000 0.432 501 D N -0.983 119.426 120.400 0.014 0.000 2.149 501 D HA -0.277 4.363 4.640 0.000 0.000 0.194 501 D C 2.191 178.496 176.300 0.008 0.000 1.001 501 D CA 1.474 55.464 54.000 -0.017 0.000 0.849 501 D CB -0.063 40.719 40.800 -0.030 0.000 0.939 501 D HN 0.139 nan 8.370 nan 0.000 0.449 502 K N 0.025 120.443 120.400 0.031 0.000 2.002 502 K HA -0.123 4.197 4.320 0.000 0.000 0.209 502 K C 2.250 178.888 176.600 0.064 0.000 1.048 502 K CA 1.209 57.521 56.287 0.042 0.000 0.930 502 K CB -0.474 32.054 32.500 0.046 0.000 0.714 502 K HN 0.335 nan 8.250 nan 0.000 0.438 503 M N 0.687 120.352 119.600 0.107 0.000 2.106 503 M HA -0.197 4.283 4.480 0.000 0.000 0.259 503 M C 2.181 178.541 176.300 0.101 0.000 1.068 503 M CA 1.509 56.915 55.300 0.177 0.000 1.100 503 M CB -0.339 32.466 32.600 0.341 0.000 1.351 503 M HN 0.059 nan 8.290 nan 0.000 0.404 504 L N 0.132 121.362 121.223 0.012 0.000 2.291 504 L HA -0.182 4.158 4.340 0.000 0.000 0.214 504 L C 2.567 179.412 176.870 -0.043 0.000 1.120 504 L CA 0.882 55.668 54.840 -0.090 0.000 0.799 504 L CB -0.811 41.194 42.059 -0.090 0.000 0.925 504 L HN 0.489 nan 8.230 nan 0.000 0.446 505 Q N -0.885 118.912 119.800 -0.005 0.000 2.488 505 Q HA -0.128 4.212 4.340 0.000 0.000 0.211 505 Q C 1.231 177.242 176.000 0.019 0.000 0.967 505 Q CA 0.851 56.657 55.803 0.003 0.000 0.926 505 Q CB -0.218 28.526 28.738 0.010 0.000 0.992 505 Q HN 0.362 nan 8.270 nan 0.000 0.506 506 N N 0.669 119.387 118.700 0.030 0.000 2.235 506 N HA 0.119 4.859 4.740 0.000 0.000 0.209 506 N C -1.132 174.409 175.510 0.051 0.000 1.122 506 N CA 0.067 53.148 53.050 0.052 0.000 0.845 506 N CB 1.423 39.958 38.487 0.081 0.000 1.004 506 N HN 0.159 nan 8.380 nan 0.000 0.499 507 V N 0.649 120.571 119.914 0.014 0.000 2.925 507 V HA 0.314 4.434 4.120 0.000 0.000 0.311 507 V C -0.980 175.112 176.094 -0.003 0.000 1.104 507 V CA -0.723 61.585 62.300 0.012 0.000 0.954 507 V CB 2.272 34.071 31.823 -0.040 0.000 1.022 507 V HN -0.030 nan 8.190 nan 0.000 0.427 508 Q N 4.616 124.424 119.800 0.013 0.000 2.534 508 Q HA 0.286 4.627 4.340 0.000 0.000 0.223 508 Q C -0.477 175.487 176.000 -0.060 0.000 1.239 508 Q CA -0.137 55.646 55.803 -0.033 0.000 0.936 508 Q CB 0.713 29.440 28.738 -0.017 0.000 1.457 508 Q HN 0.662 nan 8.270 nan 0.000 0.547 509 M N 4.185 123.737 119.600 -0.080 0.000 2.250 509 M HA 0.278 4.758 4.480 0.000 0.000 0.344 509 M C -2.093 174.128 176.300 -0.131 0.000 1.150 509 M CA -2.003 53.238 55.300 -0.098 0.000 1.147 509 M CB 0.686 33.234 32.600 -0.086 0.000 1.498 509 M HN 0.281 nan 8.290 nan 0.000 0.461 510 P HA 0.284 nan 4.420 nan 0.000 0.277 510 P C -1.369 175.836 177.300 -0.158 0.000 1.271 510 P CA -0.481 62.512 63.100 -0.179 0.000 0.795 510 P CB 0.727 32.304 31.700 -0.205 0.000 1.101 511 S N -0.922 114.669 115.700 -0.180 0.000 2.726 511 S HA 0.646 5.116 4.470 0.000 0.000 0.308 511 S C -0.616 173.883 174.600 -0.168 0.000 1.115 511 S CA -0.733 57.382 58.200 -0.142 0.000 0.965 511 S CB 1.832 64.956 63.200 -0.128 0.000 1.145 511 S HN 0.541 nan 8.310 nan 0.000 0.532 512 K N 0.410 120.739 120.400 -0.117 0.000 2.443 512 K HA 0.443 4.763 4.320 0.000 0.000 0.252 512 K C -1.516 175.036 176.600 -0.080 0.000 0.933 512 K CA -0.567 55.655 56.287 -0.109 0.000 0.792 512 K CB 1.591 34.048 32.500 -0.072 0.000 1.185 512 K HN 0.747 nan 8.250 nan 0.000 0.425 513 K N 5.672 126.020 120.400 -0.087 0.000 2.292 513 K HA 0.389 4.709 4.320 0.000 0.000 0.257 513 K C -1.603 174.970 176.600 -0.044 0.000 0.940 513 K CA -0.749 55.506 56.287 -0.053 0.000 0.811 513 K CB 1.235 33.702 32.500 -0.056 0.000 1.120 513 K HN 0.627 nan 8.250 nan 0.000 0.428 514 L N 4.263 125.476 121.223 -0.016 0.000 2.349 514 L HA 0.493 4.833 4.340 0.000 0.000 0.278 514 L C -1.326 175.558 176.870 0.025 0.000 0.996 514 L CA -0.250 54.603 54.840 0.021 0.000 0.825 514 L CB 1.453 43.584 42.059 0.120 0.000 1.243 514 L HN 0.874 nan 8.230 nan 0.000 0.412 515 D N 2.620 122.896 120.400 -0.207 0.000 2.946 515 D HA 0.468 5.108 4.640 0.000 0.000 0.337 515 D C -1.620 174.401 176.300 -0.465 0.000 1.332 515 D CA 0.036 53.861 54.000 -0.292 0.000 0.935 515 D CB 2.119 42.687 40.800 -0.385 0.000 1.440 515 D HN 0.248 nan 8.370 nan 0.000 0.540 516 F N -0.093 119.515 119.950 -0.570 0.000 2.629 516 F HA 0.729 5.256 4.527 0.000 0.000 0.316 516 F C -1.313 174.531 175.800 0.074 0.000 1.081 516 F CA -1.042 56.686 58.000 -0.453 0.000 0.954 516 F CB 1.339 39.571 39.000 -1.281 0.000 1.337 516 F HN 0.225 nan 8.300 nan 0.000 0.474 517 I N 2.395 123.180 120.570 0.359 0.000 2.689 517 I HA 0.595 4.765 4.170 0.000 0.000 0.299 517 I C -1.578 174.759 176.117 0.367 0.000 1.059 517 I CA -1.244 60.226 61.300 0.282 0.000 1.055 517 I CB 2.175 40.360 38.000 0.309 0.000 1.243 517 I HN 0.683 nan 8.210 nan 0.000 0.425 518 I N 7.549 128.276 120.570 0.261 0.000 2.339 518 I HA 0.372 4.542 4.170 0.000 0.000 0.290 518 I C -0.883 175.376 176.117 0.238 0.000 0.994 518 I CA -0.557 60.899 61.300 0.261 0.000 1.191 518 I CB 1.383 39.498 38.000 0.192 0.000 1.343 518 I HN 0.346 nan 8.210 nan 0.000 0.458 519 L N 6.272 127.698 121.223 0.339 0.000 2.365 519 L HA 0.468 4.808 4.340 0.000 0.000 0.273 519 L C 0.305 177.319 176.870 0.240 0.000 1.000 519 L CA -0.912 54.086 54.840 0.262 0.000 0.819 519 L CB 1.503 43.718 42.059 0.260 0.000 1.284 519 L HN 0.600 nan 8.230 nan 0.000 0.418 520 N N 2.296 121.076 118.700 0.133 0.000 2.708 520 N HA -0.239 4.501 4.740 0.000 0.000 0.251 520 N C 0.372 175.936 175.510 0.091 0.000 1.017 520 N CA 1.334 54.441 53.050 0.096 0.000 0.742 520 N CB -0.604 37.937 38.487 0.089 0.000 0.943 520 N HN 0.829 nan 8.380 nan 0.000 0.539 521 E N -2.047 118.206 120.200 0.088 0.000 2.722 521 E HA -0.189 4.161 4.350 0.000 0.000 0.265 521 E C -1.137 175.484 176.600 0.036 0.000 1.081 521 E CA 1.554 57.991 56.400 0.060 0.000 0.781 521 E CB -1.278 28.444 29.700 0.037 0.000 1.372 521 E HN 0.494 nan 8.360 nan 0.000 0.423 522 T N 0.661 115.244 114.554 0.048 0.000 2.881 522 T HA 0.424 4.774 4.350 0.000 0.000 0.290 522 T C -0.486 174.092 174.700 -0.202 0.000 1.000 522 T CA -0.706 61.329 62.100 -0.108 0.000 0.978 522 T CB 1.243 70.015 68.868 -0.160 0.000 0.997 522 T HN 0.245 nan 8.240 nan 0.000 0.443 523 K N 2.347 122.575 120.400 -0.286 0.000 2.218 523 K HA 0.584 4.904 4.320 0.000 0.000 0.276 523 K C -1.306 175.002 176.600 -0.486 0.000 1.022 523 K CA -0.402 55.754 56.287 -0.218 0.000 0.946 523 K CB 0.671 32.967 32.500 -0.339 0.000 1.000 523 K HN 0.381 nan 8.250 nan 0.000 0.468 524 F N 1.398 121.401 119.950 0.088 0.000 2.539 524 F HA 0.321 4.848 4.527 0.000 0.000 0.318 524 F C -0.834 174.996 175.800 0.049 0.000 1.135 524 F CA -0.801 57.226 58.000 0.045 0.000 0.915 524 F CB 1.150 40.138 39.000 -0.021 0.000 1.176 524 F HN 0.533 nan 8.300 nan 0.000 0.440 525 W N 3.526 124.933 121.300 0.178 0.000 2.303 525 W HA 0.516 5.176 4.660 0.000 0.000 0.334 525 W C -0.564 176.110 176.519 0.259 0.000 1.197 525 W CA -0.518 56.962 57.345 0.224 0.000 1.262 525 W CB 0.562 30.099 29.460 0.128 0.000 1.153 525 W HN 0.457 nan 8.180 nan 0.000 0.596 526 Y N -0.509 120.102 120.300 0.519 0.000 2.625 526 Y HA 0.647 5.197 4.550 0.000 0.000 0.338 526 Y C -1.053 175.089 175.900 0.402 0.000 1.123 526 Y CA -1.851 56.566 58.100 0.529 0.000 1.046 526 Y CB 1.128 40.090 38.460 0.835 0.000 1.299 526 Y HN 0.566 nan 8.280 nan 0.000 0.464 527 Q N 2.141 122.192 119.800 0.418 0.000 2.421 527 Q HA 0.793 5.133 4.340 0.000 0.000 0.280 527 Q C -1.849 174.271 176.000 0.201 0.000 1.085 527 Q CA -1.183 54.735 55.803 0.192 0.000 0.807 527 Q CB 3.406 32.222 28.738 0.131 0.000 1.405 527 Q HN 0.866 nan 8.270 nan 0.000 0.419 528 M N 2.388 122.022 119.600 0.058 0.000 2.326 528 M HA 0.477 4.957 4.480 0.000 0.000 0.292 528 M C -1.327 174.880 176.300 -0.155 0.000 1.081 528 M CA -0.546 54.713 55.300 -0.068 0.000 0.919 528 M CB 2.622 35.137 32.600 -0.141 0.000 1.634 528 M HN 0.618 nan 8.290 nan 0.000 0.451 529 I N 4.692 125.157 120.570 -0.175 0.000 2.291 529 I HA 0.338 4.508 4.170 0.000 0.000 0.290 529 I C -0.738 175.185 176.117 -0.323 0.000 1.050 529 I CA -0.433 60.737 61.300 -0.217 0.000 1.245 529 I CB 0.474 38.371 38.000 -0.173 0.000 1.405 529 I HN 0.502 nan 8.210 nan 0.000 0.478 530 L N 8.224 129.193 121.223 -0.423 0.000 2.312 530 L HA 0.478 4.818 4.340 0.000 0.000 0.281 530 L C -2.277 174.334 176.870 -0.430 0.000 1.070 530 L CA -1.984 52.483 54.840 -0.622 0.000 0.805 530 L CB 0.591 42.073 42.059 -0.963 0.000 1.174 530 L HN 0.231 nan 8.230 nan 0.000 0.434 531 P HA 0.099 nan 4.420 nan 0.000 0.270 531 P C -2.463 174.735 177.300 -0.171 0.000 1.223 531 P CA -0.856 62.102 63.100 -0.236 0.000 0.785 531 P CB -0.094 31.496 31.700 -0.184 0.000 0.923 532 P HA -0.037 nan 4.420 nan 0.000 0.267 532 P C -0.406 176.765 177.300 -0.215 0.000 1.200 532 P CA 0.745 63.655 63.100 -0.315 0.000 0.772 532 P CB -0.146 31.294 31.700 -0.433 0.000 0.855 533 H N -1.049 118.052 119.070 0.051 0.000 2.770 533 H HA -0.202 4.354 4.556 0.000 0.000 0.309 533 H C 0.072 175.468 175.328 0.115 0.000 1.206 533 H CA -0.138 55.951 56.048 0.067 0.000 1.147 533 H CB -2.345 27.450 29.762 0.054 0.000 1.422 533 H HN 0.357 nan 8.280 nan 0.000 0.420 534 F N 2.370 122.306 119.950 -0.023 0.000 2.623 534 F HA 0.084 4.611 4.527 0.000 0.000 0.386 534 F C 0.645 176.459 175.800 0.024 0.000 1.068 534 F CA 0.045 57.988 58.000 -0.095 0.000 1.265 534 F CB 0.489 39.341 39.000 -0.246 0.000 1.026 534 F HN 0.226 nan 8.300 nan 0.000 0.568 535 D N 6.251 126.417 120.400 -0.389 0.000 2.454 535 D HA 0.154 4.794 4.640 0.000 0.000 0.247 535 D C 0.477 176.443 176.300 -0.558 0.000 1.129 535 D CA -0.376 53.413 54.000 -0.351 0.000 0.877 535 D CB 1.054 41.805 40.800 -0.081 0.000 1.082 535 D HN 0.644 nan 8.370 nan 0.000 0.537 536 K N 0.821 120.831 120.400 -0.649 0.000 2.519 536 K HA -0.015 4.305 4.320 0.000 0.000 0.196 536 K C 1.344 177.905 176.600 -0.066 0.000 1.041 536 K CA 0.518 56.593 56.287 -0.354 0.000 0.954 536 K CB 0.354 32.774 32.500 -0.134 0.000 0.774 536 K HN 0.171 nan 8.250 nan 0.000 0.480 537 S N 0.211 115.849 115.700 -0.104 0.000 2.478 537 S HA 0.016 4.486 4.470 0.000 0.000 0.222 537 S C 0.734 175.291 174.600 -0.072 0.000 1.008 537 S CA 0.256 58.421 58.200 -0.059 0.000 0.928 537 S CB 0.259 63.420 63.200 -0.066 0.000 0.781 537 S HN 0.162 nan 8.310 nan 0.000 0.518 538 K N 2.108 122.434 120.400 -0.123 0.000 2.087 538 K HA 0.236 4.556 4.320 0.000 0.000 0.255 538 K C -0.819 175.667 176.600 -0.191 0.000 0.988 538 K CA -0.235 55.909 56.287 -0.238 0.000 0.915 538 K CB 0.598 32.821 32.500 -0.461 0.000 1.043 538 K HN -0.131 nan 8.250 nan 0.000 0.457 539 K N 3.252 123.509 120.400 -0.237 0.000 2.316 539 K HA 0.239 4.559 4.320 0.000 0.000 0.267 539 K C -0.764 175.726 176.600 -0.183 0.000 1.025 539 K CA -0.448 55.784 56.287 -0.091 0.000 0.896 539 K CB 0.550 33.008 32.500 -0.069 0.000 1.124 539 K HN 0.396 nan 8.250 nan 0.000 0.451 540 Y N 2.981 123.324 120.300 0.070 0.000 2.387 540 Y HA 0.303 4.853 4.550 0.000 0.000 0.330 540 Y C -1.744 174.106 175.900 -0.083 0.000 1.133 540 Y CA -2.216 55.892 58.100 0.014 0.000 1.152 540 Y CB 1.045 39.558 38.460 0.088 0.000 1.215 540 Y HN 0.423 nan 8.280 nan 0.000 0.466 541 P HA 0.206 nan 4.420 nan 0.000 0.278 541 P C -1.170 175.986 177.300 -0.239 0.000 1.238 541 P CA -0.230 62.613 63.100 -0.427 0.000 0.794 541 P CB 1.700 32.839 31.700 -0.935 0.000 0.955 542 L N 3.174 124.296 121.223 -0.169 0.000 2.386 542 L HA 0.544 4.884 4.340 0.000 0.000 0.271 542 L C -1.239 175.800 176.870 0.281 0.000 0.993 542 L CA -1.072 53.811 54.840 0.073 0.000 0.819 542 L CB 1.774 43.900 42.059 0.112 0.000 1.294 542 L HN 0.254 nan 8.230 nan 0.000 0.414 543 L N 5.791 127.197 121.223 0.305 0.000 2.319 543 L HA 0.415 4.755 4.340 0.000 0.000 0.281 543 L C -1.218 175.879 176.870 0.378 0.000 1.005 543 L CA -0.857 54.221 54.840 0.397 0.000 0.828 543 L CB 1.732 43.973 42.059 0.304 0.000 1.227 543 L HN 0.639 nan 8.230 nan 0.000 0.415 544 L N 5.371 126.859 121.223 0.441 0.000 2.283 544 L HA 0.281 4.621 4.340 0.000 0.000 0.287 544 L C -0.128 176.977 176.870 0.392 0.000 1.073 544 L CA 0.183 55.273 54.840 0.415 0.000 0.822 544 L CB 0.631 42.959 42.059 0.449 0.000 1.186 544 L HN 0.484 nan 8.230 nan 0.000 0.436 545 D N 4.598 125.218 120.400 0.367 0.000 2.365 545 D HA 0.180 4.820 4.640 0.000 0.000 0.237 545 D C -0.867 175.519 176.300 0.144 0.000 1.190 545 D CA 0.097 54.248 54.000 0.251 0.000 0.867 545 D CB 1.167 42.180 40.800 0.355 0.000 1.050 545 D HN 0.334 nan 8.370 nan 0.000 0.491 546 V N 5.252 125.177 119.914 0.018 0.000 2.815 546 V HA 0.477 4.597 4.120 0.000 0.000 0.314 546 V C -0.893 175.286 176.094 0.142 0.000 1.064 546 V CA -0.342 62.026 62.300 0.112 0.000 0.952 546 V CB 1.902 33.790 31.823 0.108 0.000 1.020 546 V HN 0.679 nan 8.190 nan 0.000 0.439 547 Y N 4.351 124.728 120.300 0.128 0.000 3.312 547 Y HA 0.525 5.075 4.550 0.000 0.000 0.180 547 Y C 1.470 177.533 175.900 0.271 0.000 0.891 547 Y CA 1.006 59.215 58.100 0.181 0.000 1.762 547 Y CB 0.147 38.690 38.460 0.140 0.000 1.441 547 Y HN 1.008 nan 8.280 nan 0.000 0.362 548 A N 1.211 124.166 122.820 0.225 0.000 2.816 548 A HA -0.162 4.158 4.320 0.000 0.000 0.270 548 A C 0.807 178.273 177.584 -0.197 0.000 1.413 548 A CA 0.999 53.110 52.037 0.124 0.000 0.866 548 A CB -2.417 16.708 19.000 0.208 0.000 1.032 548 A HN 0.968 nan 8.150 nan 0.000 0.642 549 G N -1.044 107.402 108.800 -0.590 0.000 2.634 549 G HA2 0.494 4.454 3.960 0.000 0.000 0.255 549 G HA3 0.494 4.454 3.960 0.000 0.000 0.255 549 G C -2.301 172.296 174.900 -0.504 0.000 1.205 549 G CA -0.955 43.376 45.100 -1.281 0.000 0.884 549 G HN 0.296 nan 8.290 nan 0.000 0.549 550 P HA 0.094 nan 4.420 nan 0.000 0.264 550 P C 0.573 177.738 177.300 -0.224 0.000 1.193 550 P CA 0.121 62.935 63.100 -0.475 0.000 0.763 550 P CB 0.747 31.732 31.700 -1.191 0.000 0.810 551 C N 2.524 121.742 119.300 -0.137 0.000 4.392 551 C HA -0.159 4.301 4.460 0.000 0.000 0.280 551 C C 0.975 175.942 174.990 -0.039 0.000 1.381 551 C CA 1.158 60.051 59.018 -0.209 0.000 1.871 551 C CB -2.721 24.739 27.740 -0.468 0.000 1.323 551 C HN 0.792 nan 8.230 nan 0.000 0.772 552 S N 0.031 115.798 115.700 0.111 0.000 2.632 552 S HA 0.551 5.021 4.470 0.000 0.000 0.267 552 S C -0.583 174.170 174.600 0.256 0.000 1.276 552 S CA 0.147 58.510 58.200 0.273 0.000 0.998 552 S CB 1.601 65.047 63.200 0.410 0.000 0.953 552 S HN 0.817 nan 8.310 nan 0.000 0.547 553 Q N 0.067 120.055 119.800 0.313 0.000 2.374 553 Q HA 0.334 4.674 4.340 0.000 0.000 0.250 553 Q C -0.739 175.400 176.000 0.231 0.000 0.918 553 Q CA -0.582 55.403 55.803 0.303 0.000 0.778 553 Q CB 0.943 29.936 28.738 0.425 0.000 1.328 553 Q HN 0.683 nan 8.270 nan 0.000 0.445 554 K N 1.009 121.544 120.400 0.224 0.000 2.358 554 K HA 0.339 4.659 4.320 0.000 0.000 0.200 554 K C -0.469 176.246 176.600 0.192 0.000 1.030 554 K CA 0.224 56.632 56.287 0.200 0.000 1.097 554 K CB 1.504 34.149 32.500 0.242 0.000 0.862 554 K HN 0.488 nan 8.250 nan 0.000 0.534 555 A N 2.553 125.493 122.820 0.200 0.000 2.293 555 A HA 0.474 4.794 4.320 0.000 0.000 0.312 555 A C -0.830 176.831 177.584 0.128 0.000 1.309 555 A CA -0.560 51.594 52.037 0.196 0.000 0.839 555 A CB 0.336 19.509 19.000 0.287 0.000 1.155 555 A HN 0.238 nan 8.150 nan 0.000 0.501 556 D N -0.065 120.386 120.400 0.086 0.000 2.825 556 D HA 0.407 5.047 4.640 0.000 0.000 0.327 556 D C 0.522 176.845 176.300 0.038 0.000 1.277 556 D CA 0.339 54.379 54.000 0.065 0.000 0.950 556 D CB 0.181 41.035 40.800 0.091 0.000 1.438 556 D HN 0.198 nan 8.370 nan 0.000 0.526 557 T N -2.446 112.149 114.554 0.068 0.000 3.086 557 T HA 0.273 4.623 4.350 0.000 0.000 0.250 557 T C 0.615 175.293 174.700 -0.036 0.000 1.074 557 T CA -0.276 61.853 62.100 0.050 0.000 0.988 557 T CB -0.521 68.418 68.868 0.117 0.000 0.988 557 T HN 0.283 nan 8.240 nan 0.000 0.530 558 V N 2.663 122.451 119.914 -0.210 0.000 2.673 558 V HA 0.238 4.358 4.120 0.000 0.000 0.303 558 V C 0.171 176.209 176.094 -0.092 0.000 1.046 558 V CA -0.706 61.430 62.300 -0.273 0.000 1.126 558 V CB -0.221 31.320 31.823 -0.469 0.000 0.934 558 V HN 0.539 nan 8.190 nan 0.000 0.487 559 F N 6.314 126.170 119.950 -0.155 0.000 2.420 559 F HA 0.586 5.113 4.527 0.000 0.000 0.352 559 F C 0.474 176.217 175.800 -0.095 0.000 1.108 559 F CA -0.301 57.632 58.000 -0.111 0.000 1.162 559 F CB 0.391 39.334 39.000 -0.095 0.000 1.118 559 F HN 0.429 nan 8.300 nan 0.000 0.510 560 R N 6.620 126.603 120.500 -0.862 0.000 2.686 560 R HA 0.521 4.861 4.340 0.000 0.000 0.283 560 R C -1.584 174.284 176.300 -0.720 0.000 0.978 560 R CA -1.040 54.710 56.100 -0.584 0.000 0.897 560 R CB 2.130 32.258 30.300 -0.287 0.000 1.192 560 R HN 0.681 nan 8.270 nan 0.000 0.457 561 L N 4.306 125.305 121.223 -0.373 0.000 2.335 561 L HA 0.351 4.691 4.340 0.000 0.000 0.268 561 L C -0.663 176.181 176.870 -0.043 0.000 1.037 561 L CA -0.630 54.049 54.840 -0.268 0.000 0.895 561 L CB 0.222 42.276 42.059 -0.007 0.000 1.266 561 L HN 0.735 nan 8.230 nan 0.000 0.439 562 N N -0.214 118.370 118.700 -0.195 0.000 3.343 562 N HA 0.174 4.914 4.740 0.000 0.000 0.330 562 N C 0.298 175.426 175.510 -0.636 0.000 1.560 562 N CA -0.906 51.946 53.050 -0.329 0.000 0.752 562 N CB 0.206 38.627 38.487 -0.109 0.000 1.863 562 N HN 0.226 nan 8.380 nan 0.000 0.636 563 W N 0.600 121.248 121.300 -1.087 0.000 2.321 563 W HA 0.044 4.704 4.660 0.000 0.000 0.306 563 W C 2.041 178.469 176.519 -0.152 0.000 1.217 563 W CA 2.951 59.893 57.345 -0.672 0.000 1.257 563 W CB -1.026 28.201 29.460 -0.389 0.000 1.145 563 W HN 0.703 nan 8.180 nan 0.000 0.509 564 A N -0.608 122.166 122.820 -0.076 0.000 1.978 564 A HA -0.214 4.106 4.320 0.000 0.000 0.220 564 A C 1.937 179.394 177.584 -0.211 0.000 1.170 564 A CA 2.481 54.413 52.037 -0.176 0.000 0.636 564 A CB -1.273 17.708 19.000 -0.031 0.000 0.810 564 A HN 0.312 nan 8.150 nan 0.000 0.448 565 T N -1.300 113.136 114.554 -0.196 0.000 2.746 565 T HA -0.194 4.156 4.350 0.000 0.000 0.267 565 T C 1.804 176.482 174.700 -0.036 0.000 1.039 565 T CA 1.714 63.669 62.100 -0.241 0.000 1.142 565 T CB -0.458 68.096 68.868 -0.524 0.000 0.866 565 T HN 0.696 nan 8.240 nan 0.000 0.444 566 Y N 2.011 122.341 120.300 0.051 0.000 2.163 566 Y HA 0.013 4.563 4.550 0.000 0.000 0.288 566 Y C 1.951 177.814 175.900 -0.062 0.000 1.136 566 Y CA 0.887 59.072 58.100 0.142 0.000 1.147 566 Y CB -0.729 37.818 38.460 0.147 0.000 0.987 566 Y HN 0.103 nan 8.280 nan 0.000 0.509 567 L N 0.205 120.990 121.223 -0.730 0.000 2.079 567 L HA -0.222 4.118 4.340 0.000 0.000 0.210 567 L C 2.791 179.382 176.870 -0.464 0.000 1.081 567 L CA 1.301 55.653 54.840 -0.813 0.000 0.752 567 L CB -0.984 40.644 42.059 -0.718 0.000 0.896 567 L HN 0.432 nan 8.230 nan 0.000 0.433 568 A N -1.050 121.574 122.820 -0.327 0.000 1.855 568 A HA -0.181 4.139 4.320 0.000 0.000 0.213 568 A C 2.521 179.992 177.584 -0.188 0.000 1.195 568 A CA 1.669 53.562 52.037 -0.241 0.000 0.610 568 A CB -0.731 18.126 19.000 -0.239 0.000 0.837 568 A HN 0.320 nan 8.150 nan 0.000 0.444 569 S N -1.131 114.479 115.700 -0.149 0.000 2.356 569 S HA -0.141 4.329 4.470 0.000 0.000 0.223 569 S C 2.022 176.599 174.600 -0.040 0.000 1.032 569 S CA 2.436 60.595 58.200 -0.068 0.000 1.005 569 S CB -0.464 62.754 63.200 0.030 0.000 0.867 569 S HN 0.584 nan 8.310 nan 0.000 0.449 570 T N 1.247 115.753 114.554 -0.080 0.000 2.925 570 T HA 0.154 4.504 4.350 0.000 0.000 0.245 570 T C 1.519 176.158 174.700 -0.102 0.000 1.025 570 T CA 0.682 62.754 62.100 -0.047 0.000 1.149 570 T CB -0.187 68.716 68.868 0.058 0.000 0.866 570 T HN 0.305 nan 8.240 nan 0.000 0.437 571 E N 1.342 121.388 120.200 -0.257 0.000 2.478 571 E HA 0.125 4.475 4.350 0.000 0.000 0.194 571 E C 0.064 176.628 176.600 -0.060 0.000 1.045 571 E CA -0.029 56.277 56.400 -0.157 0.000 0.868 571 E CB -0.467 29.084 29.700 -0.248 0.000 0.885 571 E HN 0.562 nan 8.360 nan 0.000 0.505 572 N N 0.439 119.102 118.700 -0.061 0.000 2.740 572 N HA -0.188 4.552 4.740 0.000 0.000 0.248 572 N C -0.810 174.733 175.510 0.055 0.000 1.062 572 N CA 0.157 53.226 53.050 0.031 0.000 0.704 572 N CB -1.185 37.386 38.487 0.140 0.000 0.968 572 N HN 0.189 nan 8.380 nan 0.000 0.547 573 I N 0.760 121.296 120.570 -0.056 0.000 2.460 573 I HA 0.405 4.575 4.170 0.000 0.000 0.298 573 I C 0.531 176.576 176.117 -0.119 0.000 0.989 573 I CA -0.892 60.387 61.300 -0.036 0.000 1.173 573 I CB 1.576 39.576 38.000 0.000 0.000 1.338 573 I HN 0.004 nan 8.210 nan 0.000 0.456 574 I N 5.756 126.267 120.570 -0.098 0.000 2.325 574 I HA 0.215 4.385 4.170 0.000 0.000 0.291 574 I C -0.496 175.577 176.117 -0.072 0.000 1.019 574 I CA -0.549 60.651 61.300 -0.167 0.000 1.302 574 I CB 1.261 39.165 38.000 -0.161 0.000 1.401 574 I HN 0.181 nan 8.210 nan 0.000 0.485 575 V N 6.675 126.535 119.914 -0.090 0.000 2.328 575 V HA 0.633 4.753 4.120 0.000 0.000 0.278 575 V C 0.343 176.451 176.094 0.023 0.000 1.021 575 V CA -0.381 61.925 62.300 0.010 0.000 0.838 575 V CB 1.114 32.935 31.823 -0.004 0.000 0.999 575 V HN 0.843 nan 8.190 nan 0.000 0.447 576 A N 4.071 126.944 122.820 0.088 0.000 2.354 576 A HA 0.964 5.284 4.320 0.000 0.000 0.321 576 A C -0.238 177.516 177.584 0.284 0.000 1.125 576 A CA -0.546 51.548 52.037 0.095 0.000 0.799 576 A CB 1.867 20.761 19.000 -0.177 0.000 1.293 576 A HN 0.675 nan 8.150 nan 0.000 0.452 577 S N -0.423 115.501 115.700 0.373 0.000 2.549 577 S HA 0.742 5.212 4.470 0.000 0.000 0.280 577 S C -1.571 173.419 174.600 0.651 0.000 1.109 577 S CA -0.284 58.183 58.200 0.446 0.000 0.905 577 S CB 1.322 64.715 63.200 0.322 0.000 1.081 577 S HN 0.717 nan 8.310 nan 0.000 0.477 578 F N 1.849 122.049 119.950 0.417 0.000 2.561 578 F HA 0.449 4.976 4.527 0.000 0.000 0.313 578 F C -1.398 174.605 175.800 0.339 0.000 1.126 578 F CA -0.732 57.520 58.000 0.421 0.000 0.918 578 F CB 1.475 40.663 39.000 0.313 0.000 1.199 578 F HN 0.398 nan 8.300 nan 0.000 0.444 579 D N 4.660 124.958 120.400 -0.172 0.000 2.467 579 D HA 0.346 4.986 4.640 0.000 0.000 0.220 579 D C 0.386 176.549 176.300 -0.228 0.000 1.103 579 D CA 0.154 54.128 54.000 -0.043 0.000 0.886 579 D CB 1.430 42.301 40.800 0.118 0.000 1.025 579 D HN 0.746 nan 8.370 nan 0.000 0.514 580 G N 1.302 110.075 108.800 -0.045 0.000 2.641 580 G HA2 0.278 4.238 3.960 0.000 0.000 0.239 580 G HA3 0.278 4.238 3.960 0.000 0.000 0.239 580 G C 0.174 175.175 174.900 0.167 0.000 1.402 580 G CA -0.702 44.398 45.100 -0.000 0.000 1.046 580 G HN 0.290 nan 8.290 nan 0.000 0.565 581 R N -0.689 119.882 120.500 0.118 0.000 2.570 581 R HA 0.365 4.705 4.340 0.000 0.000 0.277 581 R C 1.235 177.642 176.300 0.178 0.000 1.039 581 R CA 1.472 57.693 56.100 0.201 0.000 1.065 581 R CB 0.464 30.843 30.300 0.132 0.000 0.964 581 R HN 1.043 nan 8.270 nan 0.000 0.428 582 G N 1.149 110.039 108.800 0.150 0.000 2.232 582 G HA2 -0.328 3.632 3.960 0.000 0.000 0.226 582 G HA3 -0.328 3.632 3.960 0.000 0.000 0.226 582 G C 0.162 175.092 174.900 0.050 0.000 0.996 582 G CA 0.131 45.294 45.100 0.105 0.000 0.626 582 G HN 0.729 nan 8.290 nan 0.000 0.509 583 S N 0.374 116.121 115.700 0.079 0.000 2.589 583 S HA 0.629 5.099 4.470 0.000 0.000 0.265 583 S C 0.845 175.425 174.600 -0.033 0.000 1.342 583 S CA 0.604 58.839 58.200 0.058 0.000 1.005 583 S CB 1.741 65.015 63.200 0.123 0.000 0.909 583 S HN 1.717 nan 8.310 nan 0.000 0.555 584 G N -0.944 107.781 108.800 -0.124 0.000 2.820 584 G HA2 0.518 4.478 3.960 0.000 0.000 0.291 584 G HA3 0.518 4.478 3.960 0.000 0.000 0.291 584 G C -1.064 173.660 174.900 -0.295 0.000 1.323 584 G CA -1.059 43.812 45.100 -0.381 0.000 1.055 584 G HN 0.920 nan 8.290 nan 0.000 0.520 585 Y N -2.196 118.094 120.300 -0.015 0.000 4.490 585 Y HA -0.209 4.341 4.550 0.000 0.000 0.233 585 Y C 1.392 177.284 175.900 -0.014 0.000 1.101 585 Y CA 0.997 59.092 58.100 -0.008 0.000 2.010 585 Y CB -2.221 36.254 38.460 0.025 0.000 1.622 585 Y HN 0.550 nan 8.280 nan 0.000 0.675 586 Q N -0.297 119.499 119.800 -0.007 0.000 2.103 586 Q HA 0.503 4.843 4.340 0.000 0.000 0.219 586 Q C 0.946 176.794 176.000 -0.252 0.000 0.784 586 Q CA 0.232 56.029 55.803 -0.009 0.000 1.014 586 Q CB 1.828 30.568 28.738 0.004 0.000 1.183 586 Q HN 0.590 nan 8.270 nan 0.000 0.469 587 G N 0.810 109.328 108.800 -0.470 0.000 2.629 587 G HA2 -0.159 3.801 3.960 0.000 0.000 0.686 587 G HA3 -0.159 3.801 3.960 0.000 0.000 0.686 587 G C -0.602 173.917 174.900 -0.634 0.000 1.232 587 G CA -0.582 43.982 45.100 -0.894 0.000 0.803 587 G HN 0.059 nan 8.290 nan 0.000 0.638 588 D N 0.098 120.083 120.400 -0.692 0.000 2.224 588 D HA -0.046 4.594 4.640 0.000 0.000 0.205 588 D C 2.232 178.231 176.300 -0.503 0.000 0.965 588 D CA 1.300 54.834 54.000 -0.777 0.000 0.852 588 D CB 0.061 40.294 40.800 -0.944 0.000 0.947 588 D HN 0.498 nan 8.370 nan 0.000 0.494 589 K N 1.085 121.259 120.400 -0.377 0.000 2.074 589 K HA -0.103 4.217 4.320 0.000 0.000 0.209 589 K C 1.840 178.356 176.600 -0.140 0.000 1.048 589 K CA 1.104 57.265 56.287 -0.210 0.000 0.926 589 K CB -0.350 32.045 32.500 -0.175 0.000 0.713 589 K HN 0.167 nan 8.250 nan 0.000 0.444 590 I N -0.490 119.982 120.570 -0.163 0.000 2.494 590 I HA -0.082 4.088 4.170 0.000 0.000 0.250 590 I C 2.496 178.597 176.117 -0.028 0.000 1.112 590 I CA 0.789 62.059 61.300 -0.050 0.000 1.438 590 I CB -0.138 37.838 38.000 -0.040 0.000 1.111 590 I HN 0.252 nan 8.210 nan 0.000 0.431 591 M N 0.241 119.759 119.600 -0.137 0.000 2.175 591 M HA -0.213 4.267 4.480 0.000 0.000 0.264 591 M C 1.853 178.225 176.300 0.119 0.000 1.063 591 M CA 1.982 57.242 55.300 -0.066 0.000 1.119 591 M CB -0.279 32.188 32.600 -0.221 0.000 1.377 591 M HN 0.264 nan 8.290 nan 0.000 0.415 592 H N -0.707 118.280 119.070 -0.139 0.000 2.547 592 H HA 0.179 4.735 4.556 0.000 0.000 0.266 592 H C 1.835 177.197 175.328 0.058 0.000 0.988 592 H CA 0.109 56.103 56.048 -0.090 0.000 1.147 592 H CB 0.163 29.779 29.762 -0.242 0.000 1.365 592 H HN 0.532 nan 8.280 nan 0.000 0.589 593 A N 1.560 124.485 122.820 0.175 0.000 2.076 593 A HA -0.133 4.187 4.320 0.000 0.000 0.220 593 A C 2.010 179.792 177.584 0.330 0.000 1.160 593 A CA 1.100 53.236 52.037 0.165 0.000 0.653 593 A CB -0.680 18.368 19.000 0.080 0.000 0.801 593 A HN 0.588 nan 8.150 nan 0.000 0.455 594 I N -3.749 117.001 120.570 0.301 0.000 3.941 594 I HA 0.193 4.363 4.170 0.000 0.000 0.335 594 I C 0.337 176.556 176.117 0.170 0.000 1.402 594 I CA -0.554 60.898 61.300 0.254 0.000 1.112 594 I CB -0.493 37.609 38.000 0.170 0.000 1.043 594 I HN 0.167 nan 8.210 nan 0.000 0.395 595 N N 3.063 121.900 118.700 0.229 0.000 2.357 595 N HA -0.076 4.664 4.740 0.000 0.000 0.257 595 N C 0.209 175.766 175.510 0.078 0.000 1.250 595 N CA 0.357 53.532 53.050 0.208 0.000 0.862 595 N CB 0.346 38.929 38.487 0.160 0.000 1.066 595 N HN 0.387 nan 8.380 nan 0.000 0.468 596 R N 0.580 121.105 120.500 0.041 0.000 3.989 596 R HA -0.210 4.130 4.340 0.000 0.000 0.335 596 R C -0.220 176.008 176.300 -0.120 0.000 1.223 596 R CA 0.868 56.956 56.100 -0.019 0.000 0.962 596 R CB -0.856 29.448 30.300 0.006 0.000 1.393 596 R HN 0.559 nan 8.270 nan 0.000 0.554 597 R N 0.304 120.718 120.500 -0.144 0.000 2.688 597 R HA 0.252 4.592 4.340 0.000 0.000 0.396 597 R C -0.991 175.273 176.300 -0.060 0.000 1.081 597 R CA -0.436 55.452 56.100 -0.354 0.000 1.093 597 R CB 0.509 30.591 30.300 -0.364 0.000 1.338 597 R HN -0.073 nan 8.270 nan 0.000 0.613 598 L N -0.261 121.002 121.223 0.066 0.000 2.483 598 L HA 0.258 4.598 4.340 0.000 0.000 0.276 598 L C 1.601 178.718 176.870 0.412 0.000 1.213 598 L CA 1.616 56.539 54.840 0.138 0.000 0.843 598 L CB 0.553 42.478 42.059 -0.224 0.000 1.107 598 L HN 0.643 nan 8.230 nan 0.000 0.487 599 G N 0.470 109.540 108.800 0.450 0.000 2.141 599 G HA2 -0.278 3.682 3.960 0.000 0.000 0.242 599 G HA3 -0.278 3.682 3.960 0.000 0.000 0.242 599 G C 0.483 175.468 174.900 0.142 0.000 0.982 599 G CA 0.807 46.127 45.100 0.366 0.000 0.662 599 G HN 0.909 nan 8.290 nan 0.000 0.527 600 T N -3.255 111.329 114.554 0.050 0.000 2.638 600 T HA 0.521 4.871 4.350 0.000 0.000 0.169 600 T C 1.604 176.261 174.700 -0.073 0.000 0.790 600 T CA 0.841 62.856 62.100 -0.142 0.000 1.151 600 T CB -0.081 68.480 68.868 -0.511 0.000 2.581 600 T HN 0.206 nan 8.240 nan 0.000 0.391 601 F N 3.207 123.196 119.950 0.065 0.000 2.087 601 F HA -0.064 4.463 4.527 0.000 0.000 0.299 601 F C 2.635 178.473 175.800 0.062 0.000 1.100 601 F CA 1.807 59.836 58.000 0.049 0.000 1.226 601 F CB -1.248 37.780 39.000 0.047 0.000 0.983 601 F HN 0.619 nan 8.300 nan 0.000 0.479 602 E N 0.055 120.420 120.200 0.275 0.000 2.130 602 E HA -0.196 4.154 4.350 0.000 0.000 0.196 602 E C 2.108 178.817 176.600 0.181 0.000 0.998 602 E CA 1.945 58.480 56.400 0.225 0.000 0.806 602 E CB -0.991 28.858 29.700 0.248 0.000 0.738 602 E HN 0.313 nan 8.360 nan 0.000 0.459 603 V N 1.510 121.503 119.914 0.131 0.000 2.346 603 V HA -0.182 3.938 4.120 0.000 0.000 0.244 603 V C 2.166 178.295 176.094 0.059 0.000 1.037 603 V CA 2.022 64.357 62.300 0.059 0.000 1.029 603 V CB -0.524 31.291 31.823 -0.015 0.000 0.663 603 V HN 0.223 nan 8.190 nan 0.000 0.454 604 E N 0.255 120.499 120.200 0.074 0.000 2.118 604 E HA -0.246 4.104 4.350 0.000 0.000 0.195 604 E C 1.865 178.490 176.600 0.042 0.000 0.992 604 E CA 1.516 57.955 56.400 0.064 0.000 0.804 604 E CB -0.206 29.555 29.700 0.102 0.000 0.741 604 E HN 0.565 nan 8.360 nan 0.000 0.458 605 D N 0.393 120.834 120.400 0.070 0.000 2.219 605 D HA -0.125 4.515 4.640 0.000 0.000 0.205 605 D C 1.933 178.221 176.300 -0.020 0.000 0.970 605 D CA 0.758 54.774 54.000 0.027 0.000 0.851 605 D CB -0.064 40.807 40.800 0.120 0.000 0.943 605 D HN 0.114 nan 8.370 nan 0.000 0.488 606 Q N -0.023 119.820 119.800 0.073 0.000 2.172 606 Q HA 0.020 4.360 4.340 0.000 0.000 0.200 606 Q C 2.498 178.537 176.000 0.065 0.000 0.964 606 Q CA 0.369 56.222 55.803 0.082 0.000 0.855 606 Q CB 0.097 28.909 28.738 0.123 0.000 0.918 606 Q HN 0.423 nan 8.270 nan 0.000 0.444 607 I N 0.753 121.373 120.570 0.082 0.000 2.202 607 I HA -0.217 3.953 4.170 0.000 0.000 0.242 607 I C 2.304 178.376 176.117 -0.076 0.000 1.091 607 I CA 0.887 62.272 61.300 0.142 0.000 1.368 607 I CB -0.160 37.910 38.000 0.116 0.000 1.058 607 I HN 0.081 nan 8.210 nan 0.000 0.410 608 E N 1.051 121.150 120.200 -0.168 0.000 2.085 608 E HA -0.216 4.134 4.350 0.000 0.000 0.194 608 E C 2.297 178.587 176.600 -0.518 0.000 0.994 608 E CA 1.488 57.717 56.400 -0.286 0.000 0.801 608 E CB -0.257 29.286 29.700 -0.262 0.000 0.743 608 E HN 0.477 nan 8.360 nan 0.000 0.453 609 A N 1.253 123.610 122.820 -0.772 0.000 1.883 609 A HA -0.171 4.149 4.320 0.000 0.000 0.217 609 A C 2.431 179.369 177.584 -1.076 0.000 1.186 609 A CA 2.400 53.645 52.037 -1.321 0.000 0.624 609 A CB -0.688 17.402 19.000 -1.517 0.000 0.822 609 A HN 0.291 nan 8.150 nan 0.000 0.444 610 A N -0.344 122.212 122.820 -0.441 0.000 1.933 610 A HA -0.174 4.146 4.320 0.000 0.000 0.218 610 A C 2.255 179.682 177.584 -0.262 0.000 1.175 610 A CA 1.525 53.455 52.037 -0.180 0.000 0.628 610 A CB -0.463 18.459 19.000 -0.131 0.000 0.814 610 A HN 0.574 nan 8.150 nan 0.000 0.444 611 R N -0.904 119.410 120.500 -0.311 0.000 2.075 611 R HA -0.103 4.237 4.340 0.000 0.000 0.232 611 R C 2.336 178.476 176.300 -0.267 0.000 1.126 611 R CA 1.315 57.262 56.100 -0.254 0.000 0.963 611 R CB -0.322 29.846 30.300 -0.220 0.000 0.858 611 R HN 0.530 nan 8.270 nan 0.000 0.435 612 Q N -0.041 119.524 119.800 -0.391 0.000 2.124 612 Q HA -0.109 4.231 4.340 0.000 0.000 0.202 612 Q C 2.023 177.849 176.000 -0.290 0.000 0.977 612 Q CA 1.378 56.956 55.803 -0.375 0.000 0.850 612 Q CB -0.174 28.260 28.738 -0.506 0.000 0.901 612 Q HN 0.273 nan 8.270 nan 0.000 0.429 613 F N 0.607 120.386 119.950 -0.286 0.000 2.186 613 F HA -0.100 4.427 4.527 0.000 0.000 0.299 613 F C 2.704 178.308 175.800 -0.327 0.000 1.090 613 F CA 0.931 58.751 58.000 -0.300 0.000 1.307 613 F CB -1.176 37.705 39.000 -0.197 0.000 1.019 613 F HN 0.011 nan 8.300 nan 0.000 0.489 614 S N 0.067 115.723 115.700 -0.073 0.000 2.368 614 S HA -0.203 4.267 4.470 0.000 0.000 0.225 614 S C 2.050 176.544 174.600 -0.177 0.000 1.030 614 S CA 1.347 59.469 58.200 -0.130 0.000 0.999 614 S CB -0.255 62.869 63.200 -0.126 0.000 0.844 614 S HN 0.358 nan 8.310 nan 0.000 0.459 615 K N 0.320 120.619 120.400 -0.169 0.000 2.280 615 K HA 0.010 4.330 4.320 0.000 0.000 0.202 615 K C 1.937 178.428 176.600 -0.182 0.000 1.047 615 K CA 1.273 57.468 56.287 -0.153 0.000 0.942 615 K CB -0.235 32.185 32.500 -0.133 0.000 0.739 615 K HN 0.476 nan 8.250 nan 0.000 0.457 616 M N -0.549 118.884 119.600 -0.278 0.000 2.549 616 M HA -0.047 4.433 4.480 0.000 0.000 0.260 616 M C 1.234 177.286 176.300 -0.414 0.000 1.076 616 M CA 1.190 56.263 55.300 -0.380 0.000 1.090 616 M CB 0.026 32.246 32.600 -0.634 0.000 1.418 616 M HN 0.496 nan 8.290 nan 0.000 0.486 617 G N 0.770 109.366 108.800 -0.340 0.000 2.179 617 G HA2 -0.294 3.666 3.960 0.000 0.000 0.260 617 G HA3 -0.294 3.666 3.960 0.000 0.000 0.260 617 G C 0.344 175.207 174.900 -0.062 0.000 0.977 617 G CA 0.413 45.410 45.100 -0.171 0.000 0.641 617 G HN 0.625 nan 8.290 nan 0.000 0.533 618 F N -0.325 119.674 119.950 0.082 0.000 2.735 618 F HA 0.771 5.298 4.527 0.000 0.000 0.304 618 F C -0.032 175.875 175.800 0.178 0.000 1.119 618 F CA -1.828 56.251 58.000 0.132 0.000 1.280 618 F CB -0.012 39.118 39.000 0.216 0.000 0.994 618 F HN 0.080 nan 8.300 nan 0.000 0.520 619 V N 1.143 121.156 119.914 0.165 0.000 2.604 619 V HA 0.259 4.379 4.120 0.000 0.000 0.305 619 V C -0.742 175.369 176.094 0.028 0.000 1.043 619 V CA -0.791 61.596 62.300 0.145 0.000 0.888 619 V CB 1.861 33.723 31.823 0.066 0.000 0.995 619 V HN 0.102 nan 8.190 nan 0.000 0.429 620 D N 3.209 123.609 120.400 -0.000 0.000 2.344 620 D HA 0.110 4.751 4.640 0.000 0.000 0.253 620 D C 1.130 177.388 176.300 -0.069 0.000 1.255 620 D CA 0.319 54.285 54.000 -0.057 0.000 0.894 620 D CB 0.433 41.172 40.800 -0.101 0.000 1.067 620 D HN 0.602 nan 8.370 nan 0.000 0.492 621 N N 2.645 121.306 118.700 -0.065 0.000 2.348 621 N HA -0.155 4.585 4.740 0.000 0.000 0.185 621 N C 0.950 176.420 175.510 -0.065 0.000 1.019 621 N CA 0.719 53.723 53.050 -0.076 0.000 0.880 621 N CB 0.306 38.748 38.487 -0.075 0.000 0.965 621 N HN 0.383 nan 8.380 nan 0.000 0.437 622 K N 0.496 120.864 120.400 -0.053 0.000 2.426 622 K HA 0.114 4.434 4.320 0.000 0.000 0.193 622 K C 0.148 176.744 176.600 -0.006 0.000 1.028 622 K CA 0.388 56.659 56.287 -0.027 0.000 1.047 622 K CB 0.459 32.946 32.500 -0.023 0.000 0.821 622 K HN 0.084 nan 8.250 nan 0.000 0.513 623 R N 1.209 121.672 120.500 -0.061 0.000 2.681 623 R HA 0.354 4.694 4.340 0.000 0.000 0.277 623 R C -1.004 175.216 176.300 -0.133 0.000 1.563 623 R CA -0.084 55.947 56.100 -0.114 0.000 1.673 623 R CB 0.617 30.672 30.300 -0.407 0.000 1.258 623 R HN -0.022 nan 8.270 nan 0.000 0.650 624 I N 1.080 121.724 120.570 0.124 0.000 2.389 624 I HA 0.606 4.776 4.170 0.000 0.000 0.288 624 I C 0.013 176.433 176.117 0.505 0.000 0.999 624 I CA -0.769 60.663 61.300 0.221 0.000 1.129 624 I CB 1.851 39.856 38.000 0.009 0.000 1.288 624 I HN 0.338 nan 8.210 nan 0.000 0.444 625 A N 7.161 130.378 122.820 0.662 0.000 2.387 625 A HA 0.940 5.260 4.320 0.000 0.000 0.298 625 A C -1.054 176.853 177.584 0.538 0.000 1.165 625 A CA -0.677 51.712 52.037 0.587 0.000 0.814 625 A CB 2.126 21.355 19.000 0.381 0.000 1.357 625 A HN 0.726 nan 8.150 nan 0.000 0.443 626 I N -0.034 120.752 120.570 0.360 0.000 2.775 626 I HA 0.664 4.834 4.170 0.000 0.000 0.295 626 I C -2.081 174.267 176.117 0.385 0.000 1.287 626 I CA -0.588 60.860 61.300 0.248 0.000 1.029 626 I CB 1.762 39.609 38.000 -0.255 0.000 1.282 626 I HN 0.961 nan 8.210 nan 0.000 0.426 627 W N 6.843 128.251 121.300 0.179 0.000 3.137 627 W HA 0.853 5.513 4.660 0.000 0.000 0.324 627 W C -1.451 175.208 176.519 0.233 0.000 1.253 627 W CA -0.978 56.492 57.345 0.210 0.000 1.183 627 W CB 1.020 30.658 29.460 0.297 0.000 1.424 627 W HN 0.830 nan 8.180 nan 0.000 0.566 628 G N 0.699 109.437 108.800 -0.102 0.000 2.623 628 G HA2 0.510 4.470 3.960 0.000 0.000 0.290 628 G HA3 0.510 4.470 3.960 0.000 0.000 0.290 628 G C -2.840 172.015 174.900 -0.074 0.000 1.437 628 G CA -0.721 44.190 45.100 -0.315 0.000 0.798 628 G HN 0.599 nan 8.290 nan 0.000 0.488 629 W N 0.979 122.172 121.300 -0.178 0.000 2.739 629 W HA 0.582 5.242 4.660 0.000 0.000 0.331 629 W C 0.699 177.265 176.519 0.078 0.000 1.049 629 W CA 0.295 57.612 57.345 -0.046 0.000 1.234 629 W CB 1.775 31.202 29.460 -0.055 0.000 1.404 629 W HN 1.268 nan 8.180 nan 0.000 0.477 630 S N 3.181 119.109 115.700 0.381 0.000 4.141 630 S HA -0.426 4.044 4.470 0.000 0.000 0.622 630 S C 1.102 175.795 174.600 0.155 0.000 1.894 630 S CA 1.781 60.207 58.200 0.377 0.000 4.238 630 S CB -1.854 61.739 63.200 0.655 0.000 0.205 630 S HN 0.737 nan 8.310 nan 0.000 0.486 631 Y N 2.548 122.846 120.300 -0.003 0.000 2.274 631 Y HA 0.081 4.631 4.550 0.000 0.000 0.290 631 Y C 2.343 178.159 175.900 -0.140 0.000 1.145 631 Y CA 2.528 60.529 58.100 -0.166 0.000 1.203 631 Y CB -0.984 37.187 38.460 -0.482 0.000 0.984 631 Y HN 0.521 nan 8.280 nan 0.000 0.533 632 G N -1.067 107.747 108.800 0.024 0.000 2.443 632 G HA2 -0.176 3.784 3.960 0.000 0.000 0.219 632 G HA3 -0.176 3.784 3.960 0.000 0.000 0.219 632 G C 1.879 176.805 174.900 0.043 0.000 1.131 632 G CA 0.656 45.797 45.100 0.069 0.000 0.775 632 G HN 0.563 nan 8.290 nan 0.000 0.547 633 G N -0.149 108.681 108.800 0.051 0.000 2.403 633 G HA2 -0.194 3.766 3.960 0.000 0.000 0.216 633 G HA3 -0.194 3.766 3.960 0.000 0.000 0.216 633 G C 1.579 176.489 174.900 0.016 0.000 1.154 633 G CA 0.984 46.099 45.100 0.024 0.000 0.784 633 G HN 0.393 nan 8.290 nan 0.000 0.538 634 Y N 1.446 121.634 120.300 -0.187 0.000 2.145 634 Y HA -0.132 4.418 4.550 0.000 0.000 0.286 634 Y C 2.740 178.535 175.900 -0.175 0.000 1.145 634 Y CA 1.617 59.553 58.100 -0.272 0.000 1.148 634 Y CB -0.461 37.676 38.460 -0.537 0.000 0.981 634 Y HN 0.030 nan 8.280 nan 0.000 0.507 635 V N -0.362 119.407 119.914 -0.241 0.000 2.295 635 V HA -0.313 3.807 4.120 0.000 0.000 0.246 635 V C 2.328 178.310 176.094 -0.186 0.000 1.049 635 V CA 2.404 64.564 62.300 -0.233 0.000 1.024 635 V CB -1.196 30.630 31.823 0.004 0.000 0.648 635 V HN 0.478 nan 8.190 nan 0.000 0.447 636 T N -0.021 114.478 114.554 -0.091 0.000 2.665 636 T HA -0.222 4.128 4.350 0.000 0.000 0.268 636 T C 2.148 176.810 174.700 -0.062 0.000 1.035 636 T CA 2.096 64.160 62.100 -0.059 0.000 1.151 636 T CB -0.309 68.597 68.868 0.063 0.000 0.862 636 T HN 0.513 nan 8.240 nan 0.000 0.438 637 S N 1.050 116.744 115.700 -0.010 0.000 2.356 637 S HA -0.043 4.427 4.470 0.000 0.000 0.223 637 S C 2.141 176.672 174.600 -0.114 0.000 1.032 637 S CA 1.022 59.245 58.200 0.040 0.000 1.005 637 S CB -0.302 62.949 63.200 0.084 0.000 0.867 637 S HN 0.328 nan 8.310 nan 0.000 0.449 638 M N 0.878 120.312 119.600 -0.276 0.000 2.213 638 M HA -0.018 4.462 4.480 0.000 0.000 0.263 638 M C 2.162 178.312 176.300 -0.250 0.000 1.062 638 M CA 1.002 56.119 55.300 -0.305 0.000 1.105 638 M CB -1.371 30.940 32.600 -0.482 0.000 1.385 638 M HN 0.180 nan 8.290 nan 0.000 0.417 639 V N 0.466 120.233 119.914 -0.244 0.000 2.323 639 V HA -0.207 3.913 4.120 0.000 0.000 0.244 639 V C 2.484 178.426 176.094 -0.253 0.000 1.041 639 V CA 1.221 63.394 62.300 -0.213 0.000 1.025 639 V CB -0.596 31.059 31.823 -0.280 0.000 0.656 639 V HN 0.392 nan 8.190 nan 0.000 0.451 640 L N 0.527 121.538 121.223 -0.354 0.000 2.265 640 L HA -0.067 4.273 4.340 0.000 0.000 0.215 640 L C 2.081 178.426 176.870 -0.876 0.000 1.117 640 L CA 1.476 56.015 54.840 -0.502 0.000 0.782 640 L CB -0.672 41.086 42.059 -0.502 0.000 0.914 640 L HN 0.498 nan 8.230 nan 0.000 0.441 641 G N -1.501 106.769 108.800 -0.884 0.000 3.434 641 G HA2 0.027 3.987 3.960 0.000 0.000 0.258 641 G HA3 0.027 3.987 3.960 0.000 0.000 0.258 641 G C 1.333 176.051 174.900 -0.304 0.000 1.128 641 G CA 0.522 45.170 45.100 -0.752 0.000 0.792 641 G HN 0.402 nan 8.290 nan 0.000 0.539 642 S N -1.075 114.484 115.700 -0.234 0.000 2.478 642 S HA 0.335 4.805 4.470 0.000 0.000 0.222 642 S C 1.895 176.446 174.600 -0.082 0.000 1.008 642 S CA 1.032 59.160 58.200 -0.120 0.000 0.928 642 S CB 0.080 63.232 63.200 -0.080 0.000 0.781 642 S HN 1.340 nan 8.310 nan 0.000 0.518 643 G N 1.372 110.114 108.800 -0.096 0.000 2.141 643 G HA2 -0.348 3.612 3.960 0.000 0.000 0.242 643 G HA3 -0.348 3.612 3.960 0.000 0.000 0.242 643 G C 1.046 175.927 174.900 -0.031 0.000 0.982 643 G CA 1.028 46.092 45.100 -0.059 0.000 0.662 643 G HN 1.150 nan 8.290 nan 0.000 0.527 644 S N 0.021 115.713 115.700 -0.013 0.000 2.353 644 S HA 0.227 4.697 4.470 0.000 0.000 0.222 644 S C 2.638 177.227 174.600 -0.018 0.000 1.035 644 S CA 2.342 60.542 58.200 0.000 0.000 1.025 644 S CB -0.573 62.660 63.200 0.056 0.000 0.902 644 S HN 2.488 nan 8.310 nan 0.000 0.440 645 G N -0.427 108.374 108.800 0.002 0.000 2.143 645 G HA2 -0.248 3.712 3.960 0.000 0.000 0.249 645 G HA3 -0.248 3.712 3.960 0.000 0.000 0.249 645 G C 0.736 175.596 174.900 -0.066 0.000 0.981 645 G CA 0.471 45.562 45.100 -0.015 0.000 0.665 645 G HN 0.835 nan 8.290 nan 0.000 0.528 646 V N -0.770 119.066 119.914 -0.130 0.000 2.453 646 V HA 0.213 4.333 4.120 0.000 0.000 0.247 646 V C 1.316 177.114 176.094 -0.493 0.000 1.048 646 V CA 1.548 63.626 62.300 -0.370 0.000 1.049 646 V CB -0.423 31.040 31.823 -0.601 0.000 0.672 646 V HN 0.319 nan 8.190 nan 0.000 0.457 647 F N -0.017 119.949 119.950 0.027 0.000 2.421 647 F HA 0.411 4.938 4.527 0.000 0.000 0.337 647 F C 1.117 176.963 175.800 0.076 0.000 1.105 647 F CA -0.580 57.463 58.000 0.072 0.000 1.049 647 F CB 1.392 40.441 39.000 0.081 0.000 1.139 647 F HN -0.245 nan 8.300 nan 0.000 0.479 648 K N 1.624 122.187 120.400 0.271 0.000 2.067 648 K HA 0.092 4.412 4.320 0.000 0.000 0.203 648 K C 0.016 176.744 176.600 0.213 0.000 1.048 648 K CA 0.955 57.362 56.287 0.200 0.000 0.954 648 K CB 0.235 32.850 32.500 0.192 0.000 0.737 648 K HN 0.797 nan 8.250 nan 0.000 0.444 649 c N -2.121 116.636 118.600 0.262 0.000 3.236 649 c HA 0.926 5.496 4.570 0.000 0.000 0.312 649 c C -0.099 174.206 174.090 0.360 0.000 1.374 649 c CA -0.624 55.870 56.329 0.274 0.000 1.455 649 c CB 1.106 43.657 42.510 0.070 0.000 1.834 649 c HN 0.394 nan 8.230 nan 0.000 0.460 650 G N 0.001 109.095 108.800 0.490 0.000 2.673 650 G HA2 0.718 4.678 3.960 0.000 0.000 0.292 650 G HA3 0.718 4.678 3.960 0.000 0.000 0.292 650 G C -1.945 173.205 174.900 0.416 0.000 1.450 650 G CA -0.688 44.675 45.100 0.439 0.000 0.837 650 G HN 0.979 nan 8.290 nan 0.000 0.505 651 I N 0.693 121.463 120.570 0.333 0.000 2.499 651 I HA 0.606 4.776 4.170 0.000 0.000 0.288 651 I C 0.080 176.301 176.117 0.173 0.000 1.048 651 I CA -1.002 60.374 61.300 0.126 0.000 1.062 651 I CB 2.280 40.357 38.000 0.128 0.000 1.238 651 I HN 0.648 nan 8.210 nan 0.000 0.426 652 A N 6.542 129.344 122.820 -0.031 0.000 2.273 652 A HA 0.755 5.075 4.320 0.000 0.000 0.315 652 A C -0.704 176.783 177.584 -0.162 0.000 1.256 652 A CA -0.504 51.528 52.037 -0.009 0.000 0.851 652 A CB 1.032 20.083 19.000 0.086 0.000 1.172 652 A HN 0.444 nan 8.150 nan 0.000 0.508 653 V N 2.243 122.020 119.914 -0.229 0.000 2.370 653 V HA 0.554 4.674 4.120 0.000 0.000 0.283 653 V C 0.963 176.665 176.094 -0.653 0.000 1.023 653 V CA 0.350 62.296 62.300 -0.590 0.000 0.857 653 V CB 0.600 31.756 31.823 -1.112 0.000 0.985 653 V HN 2.072 nan 8.190 nan 0.000 0.443 654 A N 5.693 128.126 122.820 -0.645 0.000 2.560 654 A HA -0.103 4.217 4.320 0.000 0.000 0.299 654 A C -1.669 175.739 177.584 -0.294 0.000 1.484 654 A CA 0.421 51.986 52.037 -0.786 0.000 0.749 654 A CB -1.579 17.122 19.000 -0.500 0.000 1.072 654 A HN 0.630 nan 8.150 nan 0.000 0.426 655 P HA 0.430 nan 4.420 nan 0.000 0.276 655 P C 0.071 177.315 177.300 -0.092 0.000 1.244 655 P CA -0.205 62.849 63.100 -0.077 0.000 0.801 655 P CB 1.325 33.008 31.700 -0.028 0.000 1.006 656 V N 2.177 121.955 119.914 -0.226 0.000 2.546 656 V HA 0.100 4.220 4.120 0.000 0.000 0.284 656 V C 1.656 177.544 176.094 -0.342 0.000 1.050 656 V CA 0.661 62.686 62.300 -0.458 0.000 0.981 656 V CB 0.857 32.041 31.823 -1.065 0.000 0.990 656 V HN 0.800 nan 8.190 nan 0.000 0.474 657 S N 3.942 119.479 115.700 -0.271 0.000 2.564 657 S HA 0.226 4.696 4.470 0.000 0.000 0.231 657 S C 0.514 174.944 174.600 -0.284 0.000 1.067 657 S CA -0.379 57.729 58.200 -0.153 0.000 0.908 657 S CB 0.275 63.454 63.200 -0.034 0.000 0.809 657 S HN 0.823 nan 8.310 nan 0.000 0.491 658 R N -1.056 119.164 120.500 -0.467 0.000 2.515 658 R HA 0.461 4.801 4.340 0.000 0.000 0.278 658 R C -0.946 175.028 176.300 -0.543 0.000 1.107 658 R CA -0.846 54.926 56.100 -0.546 0.000 0.945 658 R CB -0.175 29.762 30.300 -0.604 0.000 1.219 658 R HN 0.131 nan 8.270 nan 0.000 0.434 659 W N 1.594 122.789 121.300 -0.174 0.000 2.424 659 W HA -0.073 4.587 4.660 0.000 0.000 0.264 659 W C 1.104 177.733 176.519 0.184 0.000 1.229 659 W CA 0.829 58.157 57.345 -0.029 0.000 1.208 659 W CB 0.225 29.585 29.460 -0.167 0.000 1.127 659 W HN 0.724 nan 8.180 nan 0.000 0.588 660 E N -1.181 119.161 120.200 0.237 0.000 2.418 660 E HA -0.162 4.188 4.350 0.000 0.000 0.197 660 E C 1.124 177.848 176.600 0.206 0.000 1.026 660 E CA 0.646 57.149 56.400 0.172 0.000 0.862 660 E CB -0.125 29.571 29.700 -0.007 0.000 0.799 660 E HN 0.371 nan 8.360 nan 0.000 0.518 661 Y N -1.631 118.765 120.300 0.160 0.000 2.510 661 Y HA 0.080 4.630 4.550 0.000 0.000 0.273 661 Y C 0.555 176.570 175.900 0.193 0.000 1.119 661 Y CA -0.347 57.824 58.100 0.118 0.000 1.286 661 Y CB -0.281 38.196 38.460 0.027 0.000 1.061 661 Y HN 0.000 nan 8.280 nan 0.000 0.542 662 Y N 2.201 122.657 120.300 0.261 0.000 2.326 662 Y HA 0.268 4.818 4.550 0.000 0.000 0.324 662 Y C 0.396 176.495 175.900 0.333 0.000 1.291 662 Y CA -2.075 56.180 58.100 0.259 0.000 1.348 662 Y CB 0.348 38.988 38.460 0.301 0.000 1.294 662 Y HN 0.220 nan 8.280 nan 0.000 0.525 663 D N -0.216 119.922 120.400 -0.437 0.000 2.419 663 D HA 0.020 4.660 4.640 0.000 0.000 0.236 663 D C 0.989 177.257 176.300 -0.054 0.000 1.165 663 D CA 0.565 54.349 54.000 -0.360 0.000 0.882 663 D CB 0.736 41.107 40.800 -0.715 0.000 1.201 663 D HN 0.488 nan 8.370 nan 0.000 0.443 664 S N 1.284 116.960 115.700 -0.039 0.000 2.356 664 S HA -0.221 4.249 4.470 0.000 0.000 0.223 664 S C 1.908 176.522 174.600 0.024 0.000 1.032 664 S CA 1.145 59.375 58.200 0.050 0.000 1.005 664 S CB -0.972 62.266 63.200 0.063 0.000 0.867 664 S HN 0.444 nan 8.310 nan 0.000 0.449 665 V N 0.841 120.701 119.914 -0.090 0.000 2.287 665 V HA -0.181 3.939 4.120 0.000 0.000 0.248 665 V C 2.324 178.322 176.094 -0.160 0.000 1.053 665 V CA 2.266 64.430 62.300 -0.226 0.000 1.027 665 V CB -1.131 30.403 31.823 -0.482 0.000 0.646 665 V HN 0.606 nan 8.190 nan 0.000 0.447 666 Y N 1.351 121.568 120.300 -0.138 0.000 2.153 666 Y HA -0.210 4.340 4.550 0.000 0.000 0.289 666 Y C 2.731 178.585 175.900 -0.078 0.000 1.127 666 Y CA 2.270 60.352 58.100 -0.031 0.000 1.131 666 Y CB -0.643 37.999 38.460 0.305 0.000 0.995 666 Y HN 0.217 nan 8.280 nan 0.000 0.505 667 T N 0.429 115.202 114.554 0.364 0.000 2.652 667 T HA -0.214 4.136 4.350 0.000 0.000 0.267 667 T C 1.578 176.250 174.700 -0.047 0.000 1.039 667 T CA 2.010 64.246 62.100 0.228 0.000 1.153 667 T CB -0.343 68.797 68.868 0.453 0.000 0.863 667 T HN 0.439 nan 8.240 nan 0.000 0.428 668 E N 0.466 120.669 120.200 0.005 0.000 2.204 668 E HA -0.085 4.265 4.350 0.000 0.000 0.194 668 E C 2.345 178.830 176.600 -0.192 0.000 0.989 668 E CA 0.436 56.833 56.400 -0.005 0.000 0.824 668 E CB -0.111 29.628 29.700 0.064 0.000 0.756 668 E HN 0.328 nan 8.360 nan 0.000 0.477 669 R N 0.095 120.321 120.500 -0.457 0.000 2.091 669 R HA -0.194 4.146 4.340 0.000 0.000 0.238 669 R C 1.275 177.090 176.300 -0.807 0.000 1.136 669 R CA 1.640 57.300 56.100 -0.734 0.000 0.959 669 R CB -0.013 29.517 30.300 -1.283 0.000 0.856 669 R HN 0.231 nan 8.270 nan 0.000 0.437 670 Y N -2.175 117.820 120.300 -0.508 0.000 2.507 670 Y HA 0.221 4.771 4.550 0.000 0.000 0.263 670 Y C 1.641 177.363 175.900 -0.296 0.000 1.093 670 Y CA 0.049 57.850 58.100 -0.498 0.000 1.285 670 Y CB 0.431 38.474 38.460 -0.695 0.000 1.115 670 Y HN -0.026 nan 8.280 nan 0.000 0.533 671 M N -0.497 119.006 119.600 -0.163 0.000 2.308 671 M HA 0.372 4.852 4.480 0.000 0.000 0.269 671 M C 1.068 177.410 176.300 0.070 0.000 1.040 671 M CA 0.754 55.965 55.300 -0.147 0.000 1.024 671 M CB -0.223 32.088 32.600 -0.482 0.000 1.465 671 M HN 0.322 nan 8.290 nan 0.000 0.517 672 G N 1.920 110.766 108.800 0.077 0.000 2.645 672 G HA2 -0.226 3.734 3.960 0.000 0.000 0.246 672 G HA3 -0.226 3.734 3.960 0.000 0.000 0.246 672 G C -0.780 174.258 174.900 0.230 0.000 1.322 672 G CA -0.797 44.380 45.100 0.129 0.000 0.898 672 G HN 0.265 nan 8.290 nan 0.000 0.573 673 L N 2.479 123.793 121.223 0.153 0.000 2.326 673 L HA 0.476 4.816 4.340 0.000 0.000 0.278 673 L C -1.188 175.651 176.870 -0.050 0.000 1.092 673 L CA -1.423 53.453 54.840 0.060 0.000 0.810 673 L CB 1.382 43.449 42.059 0.014 0.000 1.153 673 L HN 0.437 nan 8.230 nan 0.000 0.439 674 P HA 0.070 nan 4.420 nan 0.000 0.225 674 P C -0.650 176.481 177.300 -0.282 0.000 1.768 674 P CA -0.166 62.479 63.100 -0.759 0.000 0.943 674 P CB -0.476 30.474 31.700 -1.250 0.000 1.936 675 T N -3.046 111.437 114.554 -0.118 0.000 2.908 675 T HA 0.442 4.792 4.350 0.000 0.000 0.290 675 T C -1.912 172.782 174.700 -0.009 0.000 1.034 675 T CA -2.437 59.630 62.100 -0.055 0.000 1.010 675 T CB 2.081 70.928 68.868 -0.034 0.000 1.068 675 T HN -0.202 nan 8.240 nan 0.000 0.481 676 P HA -0.114 nan 4.420 nan 0.000 0.218 676 P C 0.704 178.018 177.300 0.023 0.000 1.148 676 P CA 1.253 64.363 63.100 0.016 0.000 0.822 676 P CB 0.166 31.872 31.700 0.010 0.000 0.784 677 E N -0.717 119.492 120.200 0.015 0.000 2.274 677 E HA -0.081 4.269 4.350 0.000 0.000 0.194 677 E C 1.636 178.252 176.600 0.028 0.000 0.996 677 E CA 0.751 57.162 56.400 0.018 0.000 0.840 677 E CB -0.380 29.326 29.700 0.009 0.000 0.772 677 E HN 0.326 nan 8.360 nan 0.000 0.491 678 D N -0.147 120.274 120.400 0.036 0.000 2.910 678 D HA 0.090 4.730 4.640 0.000 0.000 0.241 678 D C 0.332 176.686 176.300 0.090 0.000 1.346 678 D CA 0.104 54.137 54.000 0.056 0.000 1.227 678 D CB -0.029 40.804 40.800 0.057 0.000 0.926 678 D HN 0.012 nan 8.370 nan 0.000 0.212 679 N N -0.006 118.778 118.700 0.140 0.000 2.299 679 N HA 0.039 4.779 4.740 0.000 0.000 0.246 679 N C 1.374 177.078 175.510 0.323 0.000 1.254 679 N CA -0.137 53.046 53.050 0.223 0.000 0.879 679 N CB 0.812 39.460 38.487 0.268 0.000 1.214 679 N HN 0.005 nan 8.380 nan 0.000 0.510 680 L N 1.308 122.640 121.223 0.182 0.000 2.043 680 L HA -0.201 4.139 4.340 0.000 0.000 0.212 680 L C 1.535 178.520 176.870 0.191 0.000 1.075 680 L CA 1.989 56.913 54.840 0.139 0.000 0.752 680 L CB -0.470 41.599 42.059 0.016 0.000 0.891 680 L HN 0.177 nan 8.230 nan 0.000 0.432 681 D N -1.303 119.187 120.400 0.150 0.000 2.133 681 D HA -0.289 4.351 4.640 0.000 0.000 0.192 681 D C 2.040 178.436 176.300 0.160 0.000 1.001 681 D CA 1.941 56.019 54.000 0.130 0.000 0.844 681 D CB -0.220 40.645 40.800 0.110 0.000 0.944 681 D HN 0.592 nan 8.370 nan 0.000 0.447 682 H N -0.872 118.269 119.070 0.119 0.000 2.495 682 H HA -0.053 4.503 4.556 0.000 0.000 0.287 682 H C 1.683 177.077 175.328 0.111 0.000 1.033 682 H CA 1.032 57.128 56.048 0.080 0.000 1.307 682 H CB -0.244 29.532 29.762 0.024 0.000 1.401 682 H HN 0.156 nan 8.280 nan 0.000 0.555 683 Y N 0.246 120.519 120.300 -0.046 0.000 2.145 683 Y HA -0.157 4.393 4.550 0.000 0.000 0.286 683 Y C 2.384 178.241 175.900 -0.073 0.000 1.145 683 Y CA 1.438 59.519 58.100 -0.031 0.000 1.148 683 Y CB 0.136 38.614 38.460 0.031 0.000 0.981 683 Y HN 0.111 nan 8.280 nan 0.000 0.507 684 R N -0.263 120.306 120.500 0.115 0.000 2.148 684 R HA -0.108 4.232 4.340 0.000 0.000 0.223 684 R C 1.623 177.916 176.300 -0.011 0.000 1.088 684 R CA 0.965 57.086 56.100 0.036 0.000 0.985 684 R CB -1.032 29.293 30.300 0.041 0.000 0.880 684 R HN 0.502 nan 8.270 nan 0.000 0.451 685 N N 0.827 119.504 118.700 -0.037 0.000 2.463 685 N HA -0.072 4.668 4.740 0.000 0.000 0.181 685 N C 0.231 175.690 175.510 -0.085 0.000 1.078 685 N CA 0.498 53.526 53.050 -0.036 0.000 0.902 685 N CB 0.295 38.801 38.487 0.032 0.000 0.970 685 N HN 0.092 nan 8.380 nan 0.000 0.451 686 S N -0.211 115.382 115.700 -0.179 0.000 2.561 686 S HA 0.066 4.536 4.470 0.000 0.000 0.245 686 S C 0.401 175.028 174.600 0.045 0.000 1.001 686 S CA -0.785 57.365 58.200 -0.083 0.000 1.002 686 S CB -0.064 63.015 63.200 -0.202 0.000 0.805 686 S HN 0.184 nan 8.310 nan 0.000 0.458 687 T N -1.729 112.816 114.554 -0.015 0.000 2.918 687 T HA 0.513 4.863 4.350 0.000 0.000 0.283 687 T C 1.254 175.945 174.700 -0.015 0.000 1.001 687 T CA -0.630 61.449 62.100 -0.035 0.000 1.041 687 T CB 1.351 70.168 68.868 -0.085 0.000 1.028 687 T HN -0.030 nan 8.240 nan 0.000 0.511 688 V N 2.099 121.998 119.914 -0.023 0.000 2.548 688 V HA -0.119 4.001 4.120 0.000 0.000 0.249 688 V C 2.652 178.717 176.094 -0.048 0.000 1.055 688 V CA 1.301 63.581 62.300 -0.033 0.000 1.065 688 V CB -0.851 30.943 31.823 -0.049 0.000 0.681 688 V HN 0.835 nan 8.190 nan 0.000 0.462 689 M N 1.138 120.694 119.600 -0.073 0.000 2.159 689 M HA -0.116 4.364 4.480 0.000 0.000 0.263 689 M C 2.374 178.647 176.300 -0.046 0.000 1.063 689 M CA 2.141 57.390 55.300 -0.084 0.000 1.110 689 M CB -1.968 30.593 32.600 -0.066 0.000 1.374 689 M HN 0.581 nan 8.290 nan 0.000 0.411 690 S N 0.506 116.191 115.700 -0.026 0.000 2.547 690 S HA -0.053 4.417 4.470 0.000 0.000 0.235 690 S C 1.623 176.229 174.600 0.011 0.000 0.980 690 S CA 0.555 58.749 58.200 -0.009 0.000 0.941 690 S CB -0.429 62.765 63.200 -0.010 0.000 0.763 690 S HN 0.603 nan 8.310 nan 0.000 0.532 691 R N 0.035 120.557 120.500 0.037 0.000 2.509 691 R HA 0.507 4.847 4.340 0.000 0.000 0.300 691 R C 2.004 178.428 176.300 0.207 0.000 0.985 691 R CA 0.437 56.587 56.100 0.083 0.000 1.092 691 R CB -0.059 30.278 30.300 0.061 0.000 1.237 691 R HN 0.398 nan 8.270 nan 0.000 0.546 692 A N 1.424 124.313 122.820 0.115 0.000 1.917 692 A HA -0.287 4.033 4.320 0.000 0.000 0.219 692 A C 2.019 179.707 177.584 0.174 0.000 1.182 692 A CA 1.963 54.043 52.037 0.071 0.000 0.633 692 A CB -0.254 18.691 19.000 -0.092 0.000 0.819 692 A HN 0.283 nan 8.150 nan 0.000 0.448 693 E N 0.528 120.789 120.200 0.101 0.000 2.097 693 E HA -0.202 4.148 4.350 0.000 0.000 0.196 693 E C 1.662 178.319 176.600 0.095 0.000 1.000 693 E CA 1.912 58.361 56.400 0.081 0.000 0.804 693 E CB -0.556 29.172 29.700 0.046 0.000 0.740 693 E HN 0.786 nan 8.360 nan 0.000 0.454 694 N N -1.223 117.523 118.700 0.077 0.000 2.519 694 N HA -0.109 4.631 4.740 0.000 0.000 0.186 694 N C 0.840 176.311 175.510 -0.065 0.000 1.062 694 N CA 0.275 53.315 53.050 -0.017 0.000 0.910 694 N CB -0.150 38.277 38.487 -0.101 0.000 0.958 694 N HN 0.169 nan 8.380 nan 0.000 0.445 695 F N 1.325 121.230 119.950 -0.075 0.000 2.748 695 F HA 0.054 4.581 4.527 0.000 0.000 0.299 695 F C 1.918 177.720 175.800 0.004 0.000 1.154 695 F CA 0.519 58.471 58.000 -0.081 0.000 1.446 695 F CB 0.143 39.041 39.000 -0.171 0.000 1.112 695 F HN -0.074 nan 8.300 nan 0.000 0.584 696 K N 0.429 120.925 120.400 0.161 0.000 2.209 696 K HA -0.193 4.127 4.320 0.000 0.000 0.204 696 K C 1.524 178.185 176.600 0.101 0.000 1.048 696 K CA 1.295 57.660 56.287 0.130 0.000 0.940 696 K CB -0.298 32.257 32.500 0.093 0.000 0.729 696 K HN 0.489 nan 8.250 nan 0.000 0.451 697 Q N 0.628 120.465 119.800 0.063 0.000 2.280 697 Q HA 0.086 4.426 4.340 0.000 0.000 0.202 697 Q C 0.287 176.324 176.000 0.062 0.000 0.903 697 Q CA -0.108 55.725 55.803 0.049 0.000 0.948 697 Q CB 0.176 28.925 28.738 0.018 0.000 1.058 697 Q HN 0.070 nan 8.270 nan 0.000 0.493 698 V N -3.455 116.516 119.914 0.095 0.000 3.159 698 V HA 0.507 4.627 4.120 0.000 0.000 0.308 698 V C -1.378 174.859 176.094 0.238 0.000 1.190 698 V CA -1.305 61.078 62.300 0.138 0.000 1.037 698 V CB 2.282 34.157 31.823 0.088 0.000 1.060 698 V HN 0.119 nan 8.190 nan 0.000 0.437 699 E N 1.701 122.069 120.200 0.281 0.000 2.115 699 E HA 0.424 4.774 4.350 0.000 0.000 0.282 699 E C -1.855 175.108 176.600 0.605 0.000 0.987 699 E CA -0.336 56.299 56.400 0.391 0.000 0.797 699 E CB 1.608 31.472 29.700 0.274 0.000 1.086 699 E HN 0.684 nan 8.360 nan 0.000 0.397 700 Y N 3.749 124.302 120.300 0.422 0.000 2.364 700 Y HA 0.396 4.946 4.550 0.000 0.000 0.340 700 Y C -1.375 174.616 175.900 0.151 0.000 0.975 700 Y CA -1.092 57.208 58.100 0.333 0.000 1.089 700 Y CB 0.913 39.595 38.460 0.370 0.000 1.192 700 Y HN 0.413 nan 8.280 nan 0.000 0.454 701 L N 8.159 129.110 121.223 -0.454 0.000 2.319 701 L HA 0.438 4.778 4.340 0.000 0.000 0.281 701 L C -1.795 174.627 176.870 -0.747 0.000 1.005 701 L CA -0.815 53.610 54.840 -0.691 0.000 0.828 701 L CB 1.222 42.557 42.059 -1.206 0.000 1.227 701 L HN 0.601 nan 8.230 nan 0.000 0.415 702 L N 6.893 127.775 121.223 -0.569 0.000 2.305 702 L HA 0.596 4.936 4.340 0.000 0.000 0.284 702 L C -0.900 175.857 176.870 -0.188 0.000 1.013 702 L CA -0.345 54.217 54.840 -0.464 0.000 0.819 702 L CB 1.648 43.471 42.059 -0.392 0.000 1.227 702 L HN 0.590 nan 8.230 nan 0.000 0.417 703 I N 4.264 124.734 120.570 -0.166 0.000 2.608 703 I HA 0.448 4.618 4.170 0.000 0.000 0.295 703 I C -1.119 175.005 176.117 0.011 0.000 1.049 703 I CA -0.692 60.574 61.300 -0.058 0.000 1.063 703 I CB 2.393 40.320 38.000 -0.122 0.000 1.248 703 I HN 0.658 nan 8.210 nan 0.000 0.424 704 H N 2.140 121.276 119.070 0.109 0.000 3.112 704 H HA 0.461 5.017 4.556 0.000 0.000 0.347 704 H C -0.467 175.097 175.328 0.393 0.000 1.188 704 H CA -0.693 55.467 56.048 0.187 0.000 1.240 704 H CB 2.011 31.838 29.762 0.109 0.000 1.920 704 H HN 0.760 nan 8.280 nan 0.000 0.535 705 G N 0.911 110.117 108.800 0.677 0.000 2.390 705 G HA2 0.207 4.167 3.960 0.000 0.000 0.270 705 G HA3 0.207 4.167 3.960 0.000 0.000 0.270 705 G C 1.157 176.316 174.900 0.432 0.000 1.211 705 G CA 0.147 45.553 45.100 0.509 0.000 0.842 705 G HN 0.740 nan 8.290 nan 0.000 0.519 706 T N -0.658 113.992 114.554 0.161 0.000 2.995 706 T HA 0.072 4.422 4.350 0.000 0.000 0.269 706 T C 1.703 176.363 174.700 -0.067 0.000 1.091 706 T CA 1.287 63.278 62.100 -0.181 0.000 1.128 706 T CB 0.142 68.835 68.868 -0.293 0.000 0.891 706 T HN 0.686 nan 8.240 nan 0.000 0.492 707 A N 1.067 123.939 122.820 0.086 0.000 2.684 707 A HA 0.307 4.627 4.320 0.000 0.000 0.288 707 A C 0.405 177.975 177.584 -0.023 0.000 1.337 707 A CA -0.503 51.586 52.037 0.086 0.000 0.946 707 A CB -0.325 18.984 19.000 0.515 0.000 1.093 707 A HN 0.381 nan 8.150 nan 0.000 0.543 708 D N 1.534 121.923 120.400 -0.018 0.000 2.344 708 D HA -0.009 4.631 4.640 0.000 0.000 0.253 708 D C 0.431 176.703 176.300 -0.048 0.000 1.255 708 D CA 0.093 54.186 54.000 0.154 0.000 0.894 708 D CB 0.633 41.701 40.800 0.447 0.000 1.067 708 D HN 0.582 nan 8.370 nan 0.000 0.492 709 D N 2.159 122.577 120.400 0.029 0.000 2.323 709 D HA -0.122 4.518 4.640 0.000 0.000 0.209 709 D C 1.014 177.247 176.300 -0.110 0.000 0.973 709 D CA 0.203 54.165 54.000 -0.063 0.000 0.874 709 D CB 0.284 41.012 40.800 -0.121 0.000 0.930 709 D HN 0.448 nan 8.370 nan 0.000 0.521 710 N N 0.072 118.798 118.700 0.043 0.000 2.335 710 N HA -0.035 4.705 4.740 0.000 0.000 0.197 710 N C -0.178 175.214 175.510 -0.197 0.000 1.045 710 N CA 0.177 53.265 53.050 0.064 0.000 0.928 710 N CB 0.693 39.227 38.487 0.078 0.000 1.118 710 N HN -0.169 nan 8.380 nan 0.000 0.471 711 V N 3.144 122.962 119.914 -0.161 0.000 2.304 711 V HA 0.187 4.307 4.120 0.000 0.000 0.269 711 V C -0.808 175.324 176.094 0.063 0.000 1.036 711 V CA -0.564 61.710 62.300 -0.044 0.000 0.840 711 V CB 0.225 32.051 31.823 0.006 0.000 1.036 711 V HN 0.364 nan 8.190 nan 0.000 0.466 712 H N 3.795 122.847 119.070 -0.030 0.000 2.928 712 H HA -0.010 4.546 4.556 0.000 0.000 0.338 712 H C 0.899 176.091 175.328 -0.228 0.000 1.047 712 H CA -0.208 55.741 56.048 -0.164 0.000 1.435 712 H CB 0.486 30.065 29.762 -0.306 0.000 1.428 712 H HN 0.637 nan 8.280 nan 0.000 0.590 713 F N 2.328 122.037 119.950 -0.402 0.000 2.184 713 F HA -0.312 4.215 4.527 0.000 0.000 0.301 713 F C 2.555 178.098 175.800 -0.427 0.000 1.076 713 F CA 1.977 59.522 58.000 -0.758 0.000 1.295 713 F CB -0.075 38.662 39.000 -0.439 0.000 1.026 713 F HN 0.673 nan 8.300 nan 0.000 0.494 714 Q N 0.174 119.841 119.800 -0.221 0.000 2.133 714 Q HA -0.314 4.026 4.340 0.000 0.000 0.208 714 Q C 2.068 177.846 176.000 -0.371 0.000 0.991 714 Q CA 2.283 57.908 55.803 -0.297 0.000 0.867 714 Q CB -0.402 28.129 28.738 -0.344 0.000 0.911 714 Q HN 0.599 nan 8.270 nan 0.000 0.417 715 Q N -0.212 119.429 119.800 -0.266 0.000 2.061 715 Q HA -0.130 4.210 4.340 0.000 0.000 0.204 715 Q C 2.252 178.172 176.000 -0.133 0.000 0.984 715 Q CA 1.807 57.559 55.803 -0.086 0.000 0.846 715 Q CB -0.109 28.656 28.738 0.044 0.000 0.902 715 Q HN 0.351 nan 8.270 nan 0.000 0.421 716 S N 0.545 116.087 115.700 -0.263 0.000 2.436 716 S HA 0.019 4.489 4.470 0.000 0.000 0.228 716 S C 2.002 176.373 174.600 -0.382 0.000 1.014 716 S CA 0.639 58.671 58.200 -0.279 0.000 0.950 716 S CB -0.034 63.008 63.200 -0.263 0.000 0.784 716 S HN 0.454 nan 8.310 nan 0.000 0.504 717 A N 1.459 123.958 122.820 -0.535 0.000 1.933 717 A HA -0.120 4.200 4.320 0.000 0.000 0.218 717 A C 2.097 179.573 177.584 -0.180 0.000 1.175 717 A CA 1.109 52.937 52.037 -0.347 0.000 0.628 717 A CB -0.389 18.449 19.000 -0.269 0.000 0.814 717 A HN 0.350 nan 8.150 nan 0.000 0.444 718 Q N -0.602 119.104 119.800 -0.156 0.000 2.311 718 Q HA 0.050 4.390 4.340 0.000 0.000 0.203 718 Q C 2.007 177.955 176.000 -0.087 0.000 0.954 718 Q CA 0.774 56.538 55.803 -0.066 0.000 0.885 718 Q CB -0.200 28.568 28.738 0.051 0.000 0.963 718 Q HN 0.787 nan 8.270 nan 0.000 0.471 719 I N 0.811 121.299 120.570 -0.136 0.000 2.233 719 I HA -0.233 3.937 4.170 0.000 0.000 0.243 719 I C 2.471 178.418 176.117 -0.284 0.000 1.093 719 I CA 1.230 62.405 61.300 -0.209 0.000 1.380 719 I CB -0.326 37.552 38.000 -0.204 0.000 1.067 719 I HN 0.156 nan 8.210 nan 0.000 0.413 720 S N 1.006 116.565 115.700 -0.235 0.000 2.370 720 S HA -0.285 4.185 4.470 0.000 0.000 0.226 720 S C 2.025 176.580 174.600 -0.076 0.000 1.033 720 S CA 1.502 59.589 58.200 -0.189 0.000 1.011 720 S CB -0.480 62.764 63.200 0.073 0.000 0.852 720 S HN 0.349 nan 8.310 nan 0.000 0.457 721 K N 1.763 122.129 120.400 -0.057 0.000 2.097 721 K HA 0.048 4.368 4.320 0.000 0.000 0.206 721 K C 2.270 178.844 176.600 -0.044 0.000 1.049 721 K CA 1.117 57.391 56.287 -0.023 0.000 0.933 721 K CB -0.671 31.815 32.500 -0.023 0.000 0.717 721 K HN 0.448 nan 8.250 nan 0.000 0.442 722 A N 0.958 123.722 122.820 -0.093 0.000 1.933 722 A HA -0.101 4.219 4.320 0.000 0.000 0.218 722 A C 2.067 179.579 177.584 -0.119 0.000 1.175 722 A CA 1.250 53.227 52.037 -0.100 0.000 0.628 722 A CB -0.543 18.377 19.000 -0.132 0.000 0.814 722 A HN 0.315 nan 8.150 nan 0.000 0.444 723 L N -0.718 120.386 121.223 -0.199 0.000 2.056 723 L HA -0.125 4.215 4.340 0.000 0.000 0.207 723 L C 2.507 179.385 176.870 0.013 0.000 1.078 723 L CA 0.872 55.602 54.840 -0.183 0.000 0.749 723 L CB -0.580 41.200 42.059 -0.465 0.000 0.901 723 L HN 0.231 nan 8.230 nan 0.000 0.433 724 V N -0.107 119.849 119.914 0.070 0.000 2.343 724 V HA -0.296 3.824 4.120 0.000 0.000 0.247 724 V C 2.098 178.226 176.094 0.056 0.000 1.051 724 V CA 1.877 64.243 62.300 0.110 0.000 1.036 724 V CB -0.523 31.364 31.823 0.108 0.000 0.654 724 V HN 0.426 nan 8.190 nan 0.000 0.451 725 D N 0.381 120.796 120.400 0.025 0.000 2.190 725 D HA -0.128 4.512 4.640 0.000 0.000 0.200 725 D C 1.739 178.051 176.300 0.020 0.000 0.992 725 D CA 1.843 55.853 54.000 0.016 0.000 0.854 725 D CB -0.159 40.642 40.800 0.001 0.000 0.936 725 D HN 0.564 nan 8.370 nan 0.000 0.462 726 V N -3.660 116.266 119.914 0.020 0.000 3.444 726 V HA 0.501 4.621 4.120 0.000 0.000 0.308 726 V C 1.195 177.317 176.094 0.047 0.000 1.371 726 V CA 0.197 62.514 62.300 0.028 0.000 1.141 726 V CB -0.104 31.733 31.823 0.023 0.000 1.037 726 V HN 0.145 nan 8.190 nan 0.000 0.433 727 G N 0.474 109.309 108.800 0.059 0.000 2.295 727 G HA2 -0.194 3.766 3.960 0.000 0.000 0.287 727 G HA3 -0.194 3.766 3.960 0.000 0.000 0.287 727 G C -0.027 174.933 174.900 0.100 0.000 1.055 727 G CA 0.546 45.690 45.100 0.074 0.000 0.922 727 G HN 1.463 nan 8.290 nan 0.000 0.503 728 V N -0.205 119.787 119.914 0.130 0.000 2.394 728 V HA 0.640 4.760 4.120 0.000 0.000 0.282 728 V C 0.223 176.492 176.094 0.292 0.000 1.031 728 V CA -0.652 61.753 62.300 0.174 0.000 0.881 728 V CB 1.645 33.559 31.823 0.152 0.000 0.982 728 V HN 0.356 nan 8.190 nan 0.000 0.451 729 D N 5.547 126.096 120.400 0.249 0.000 2.313 729 D HA 0.580 5.220 4.640 0.000 0.000 0.247 729 D C -0.534 176.004 176.300 0.396 0.000 1.094 729 D CA 0.362 54.502 54.000 0.234 0.000 0.925 729 D CB 0.919 41.787 40.800 0.113 0.000 1.188 729 D HN 0.584 nan 8.370 nan 0.000 0.430 730 F N -0.637 119.383 119.950 0.117 0.000 2.817 730 F HA 0.442 4.969 4.527 0.000 0.000 0.317 730 F C -1.612 174.237 175.800 0.083 0.000 1.168 730 F CA -1.136 56.955 58.000 0.152 0.000 0.911 730 F CB 0.629 39.755 39.000 0.209 0.000 1.337 730 F HN 0.083 nan 8.300 nan 0.000 0.464 731 Q N 1.316 121.182 119.800 0.110 0.000 2.257 731 Q HA 0.849 5.189 4.340 0.000 0.000 0.262 731 Q C -0.859 175.130 176.000 -0.018 0.000 0.997 731 Q CA -0.757 55.007 55.803 -0.064 0.000 0.873 731 Q CB 2.097 30.803 28.738 -0.053 0.000 1.312 731 Q HN 1.081 nan 8.270 nan 0.000 0.450 732 A N 1.450 124.229 122.820 -0.068 0.000 2.587 732 A HA 0.844 5.165 4.320 0.000 0.000 0.293 732 A C -1.435 176.100 177.584 -0.081 0.000 1.087 732 A CA -0.561 51.475 52.037 -0.001 0.000 0.692 732 A CB 1.977 21.045 19.000 0.112 0.000 1.291 732 A HN 0.610 nan 8.150 nan 0.000 0.407 733 M N 1.411 120.956 119.600 -0.092 0.000 2.274 733 M HA 0.562 5.042 4.480 0.000 0.000 0.272 733 M C -1.989 174.195 176.300 -0.192 0.000 1.053 733 M CA -0.439 54.666 55.300 -0.325 0.000 0.978 733 M CB 1.077 33.420 32.600 -0.429 0.000 1.836 733 M HN 0.984 nan 8.290 nan 0.000 0.484 734 W N 4.337 125.497 121.300 -0.233 0.000 2.516 734 W HA 0.779 5.439 4.660 0.000 0.000 0.343 734 W C -2.006 174.279 176.519 -0.391 0.000 1.094 734 W CA -0.908 56.379 57.345 -0.096 0.000 1.250 734 W CB 0.382 29.819 29.460 -0.038 0.000 1.308 734 W HN 0.621 nan 8.180 nan 0.000 0.588 735 Y N 2.259 122.682 120.300 0.205 0.000 2.376 735 Y HA 0.286 4.836 4.550 0.000 0.000 0.326 735 Y C 0.432 176.425 175.900 0.155 0.000 0.970 735 Y CA -1.029 57.106 58.100 0.059 0.000 1.248 735 Y CB 1.578 40.053 38.460 0.026 0.000 1.117 735 Y HN 0.422 nan 8.280 nan 0.000 0.476 736 T N 4.711 119.407 114.554 0.237 0.000 2.831 736 T HA -0.039 4.311 4.350 0.000 0.000 0.291 736 T C 0.167 174.910 174.700 0.072 0.000 0.981 736 T CA 0.708 62.874 62.100 0.110 0.000 1.174 736 T CB -0.162 68.701 68.868 -0.008 0.000 0.929 736 T HN 0.718 nan 8.240 nan 0.000 0.532 737 D N 0.864 121.286 120.400 0.038 0.000 3.079 737 D HA -0.121 4.519 4.640 0.000 0.000 0.214 737 D C 0.247 176.660 176.300 0.188 0.000 1.145 737 D CA 1.078 55.045 54.000 -0.054 0.000 0.958 737 D CB -0.369 40.206 40.800 -0.375 0.000 1.117 737 D HN 0.556 nan 8.370 nan 0.000 0.416 738 E N 0.918 121.256 120.200 0.230 0.000 2.277 738 E HA 0.319 4.669 4.350 0.000 0.000 0.274 738 E C 0.726 177.516 176.600 0.317 0.000 1.022 738 E CA -0.312 56.248 56.400 0.268 0.000 0.853 738 E CB 1.225 31.070 29.700 0.242 0.000 1.086 738 E HN 0.319 nan 8.360 nan 0.000 0.397 739 D N -0.261 120.342 120.400 0.338 0.000 2.475 739 D HA -0.015 4.625 4.640 0.000 0.000 0.286 739 D C 1.093 177.646 176.300 0.421 0.000 1.205 739 D CA -0.136 54.091 54.000 0.379 0.000 1.092 739 D CB -0.142 40.903 40.800 0.407 0.000 1.147 739 D HN 0.406 nan 8.370 nan 0.000 0.575 740 H N -1.585 117.682 119.070 0.330 0.000 2.489 740 H HA 0.083 4.639 4.556 0.000 0.000 0.293 740 H C 1.903 177.495 175.328 0.440 0.000 1.066 740 H CA 2.036 58.301 56.048 0.362 0.000 1.305 740 H CB -0.398 29.559 29.762 0.325 0.000 1.386 740 H HN 0.490 nan 8.280 nan 0.000 0.551 741 G N -0.348 108.647 108.800 0.325 0.000 2.603 741 G HA2 0.006 3.966 3.960 0.000 0.000 0.214 741 G HA3 0.006 3.966 3.960 0.000 0.000 0.214 741 G C 0.662 175.748 174.900 0.310 0.000 1.140 741 G CA 0.279 45.492 45.100 0.188 0.000 0.800 741 G HN 0.507 nan 8.290 nan 0.000 0.533 742 I N 0.142 120.914 120.570 0.336 0.000 6.313 742 I HA -0.320 3.850 4.170 0.000 0.000 0.126 742 I C 1.481 177.736 176.117 0.229 0.000 1.598 742 I CA 0.155 61.603 61.300 0.247 0.000 2.457 742 I CB -1.097 37.033 38.000 0.218 0.000 3.027 742 I HN 0.262 nan 8.210 nan 0.000 0.280 743 A N 1.201 124.130 122.820 0.182 0.000 2.430 743 A HA 0.265 4.585 4.320 0.000 0.000 0.243 743 A C 1.076 178.719 177.584 0.098 0.000 1.254 743 A CA 0.617 52.731 52.037 0.129 0.000 0.914 743 A CB 0.249 19.291 19.000 0.071 0.000 0.998 743 A HN 0.572 nan 8.150 nan 0.000 0.515 744 S N -0.118 115.652 115.700 0.117 0.000 2.568 744 S HA 0.143 4.613 4.470 0.000 0.000 0.282 744 S C 1.401 176.059 174.600 0.098 0.000 1.338 744 S CA 0.376 58.636 58.200 0.100 0.000 1.045 744 S CB 0.644 63.908 63.200 0.106 0.000 0.873 744 S HN 0.428 nan 8.310 nan 0.000 0.516 745 S N 2.849 118.591 115.700 0.071 0.000 2.359 745 S HA -0.173 4.297 4.470 0.000 0.000 0.222 745 S C 2.222 176.884 174.600 0.103 0.000 1.038 745 S CA 2.115 60.357 58.200 0.070 0.000 1.051 745 S CB -1.234 61.990 63.200 0.039 0.000 0.944 745 S HN 1.022 nan 8.310 nan 0.000 0.433 746 T N 1.088 115.692 114.554 0.083 0.000 2.746 746 T HA 0.038 4.388 4.350 0.000 0.000 0.267 746 T C 1.950 176.711 174.700 0.101 0.000 1.039 746 T CA 1.207 63.358 62.100 0.085 0.000 1.142 746 T CB -0.688 68.218 68.868 0.063 0.000 0.866 746 T HN 0.374 nan 8.240 nan 0.000 0.444 747 A N 1.445 124.311 122.820 0.075 0.000 1.933 747 A HA -0.118 4.202 4.320 0.000 0.000 0.218 747 A C 2.202 179.760 177.584 -0.044 0.000 1.175 747 A CA 2.103 54.133 52.037 -0.011 0.000 0.628 747 A CB -1.238 17.732 19.000 -0.049 0.000 0.814 747 A HN 0.776 nan 8.150 nan 0.000 0.444 748 H N -0.105 118.959 119.070 -0.010 0.000 2.321 748 H HA -0.132 4.424 4.556 0.000 0.000 0.300 748 H C 2.130 177.525 175.328 0.111 0.000 1.087 748 H CA 2.323 58.411 56.048 0.068 0.000 1.319 748 H CB -0.200 29.608 29.762 0.078 0.000 1.379 748 H HN 0.587 nan 8.280 nan 0.000 0.501 749 Q N -0.971 118.852 119.800 0.038 0.000 2.124 749 Q HA -0.187 4.153 4.340 0.000 0.000 0.202 749 Q C 2.183 178.175 176.000 -0.013 0.000 0.977 749 Q CA 1.293 57.077 55.803 -0.032 0.000 0.850 749 Q CB -0.195 28.558 28.738 0.025 0.000 0.901 749 Q HN 0.641 nan 8.270 nan 0.000 0.429 750 H N 0.944 119.989 119.070 -0.041 0.000 2.326 750 H HA -0.074 4.482 4.556 0.000 0.000 0.301 750 H C 2.043 177.365 175.328 -0.011 0.000 1.081 750 H CA 1.374 57.428 56.048 0.010 0.000 1.334 750 H CB -0.028 29.795 29.762 0.101 0.000 1.385 750 H HN 0.287 nan 8.280 nan 0.000 0.504 751 I N 0.117 120.667 120.570 -0.034 0.000 2.226 751 I HA -0.321 3.849 4.170 0.000 0.000 0.245 751 I C 1.821 177.693 176.117 -0.408 0.000 1.100 751 I CA 1.261 62.442 61.300 -0.199 0.000 1.374 751 I CB -0.305 37.368 38.000 -0.545 0.000 1.057 751 I HN 0.122 nan 8.210 nan 0.000 0.413 752 Y N 1.023 121.094 120.300 -0.381 0.000 2.293 752 Y HA -0.199 4.351 4.550 0.000 0.000 0.291 752 Y C 2.721 178.391 175.900 -0.384 0.000 1.137 752 Y CA 1.833 59.583 58.100 -0.583 0.000 1.202 752 Y CB -0.882 37.228 38.460 -0.583 0.000 0.990 752 Y HN 0.167 nan 8.280 nan 0.000 0.537 753 T N -1.786 112.678 114.554 -0.149 0.000 2.777 753 T HA -0.202 4.148 4.350 0.000 0.000 0.266 753 T C 1.552 176.133 174.700 -0.198 0.000 1.040 753 T CA 1.764 63.750 62.100 -0.189 0.000 1.141 753 T CB -0.362 68.408 68.868 -0.164 0.000 0.868 753 T HN 0.398 nan 8.240 nan 0.000 0.444 754 H N 0.792 119.740 119.070 -0.204 0.000 2.357 754 H HA 0.160 4.716 4.556 0.000 0.000 0.301 754 H C 2.160 177.472 175.328 -0.025 0.000 1.082 754 H CA 1.453 57.462 56.048 -0.065 0.000 1.342 754 H CB -0.225 29.476 29.762 -0.103 0.000 1.389 754 H HN 0.245 nan 8.280 nan 0.000 0.511 755 M N -0.804 118.738 119.600 -0.097 0.000 2.159 755 M HA -0.162 4.318 4.480 0.000 0.000 0.263 755 M C 2.368 178.775 176.300 0.179 0.000 1.063 755 M CA 1.535 56.782 55.300 -0.088 0.000 1.110 755 M CB 0.038 32.358 32.600 -0.467 0.000 1.374 755 M HN 0.190 nan 8.290 nan 0.000 0.411 756 S N -0.671 115.147 115.700 0.197 0.000 2.368 756 S HA -0.151 4.319 4.470 0.000 0.000 0.225 756 S C 1.687 176.361 174.600 0.123 0.000 1.030 756 S CA 0.989 59.381 58.200 0.321 0.000 0.999 756 S CB -0.600 62.763 63.200 0.271 0.000 0.844 756 S HN 0.472 nan 8.310 nan 0.000 0.459 757 H N -0.156 118.968 119.070 0.091 0.000 2.353 757 H HA -0.040 4.516 4.556 0.000 0.000 0.300 757 H C 1.984 177.323 175.328 0.019 0.000 1.090 757 H CA 1.307 57.368 56.048 0.023 0.000 1.327 757 H CB -0.668 29.058 29.762 -0.059 0.000 1.383 757 H HN 0.440 nan 8.280 nan 0.000 0.508 758 F N 1.328 121.264 119.950 -0.024 0.000 2.075 758 F HA -0.173 4.354 4.527 0.000 0.000 0.297 758 F C 2.328 178.073 175.800 -0.092 0.000 1.113 758 F CA 0.844 58.799 58.000 -0.075 0.000 1.218 758 F CB -0.353 38.581 39.000 -0.111 0.000 0.984 758 F HN -0.058 nan 8.300 nan 0.000 0.472 759 I N 0.835 121.387 120.570 -0.029 0.000 2.163 759 I HA -0.283 3.887 4.170 0.000 0.000 0.243 759 I C 2.283 178.158 176.117 -0.403 0.000 1.085 759 I CA 1.460 62.556 61.300 -0.340 0.000 1.347 759 I CB -1.294 36.598 38.000 -0.180 0.000 1.044 759 I HN 0.200 nan 8.210 nan 0.000 0.408 760 K N 0.338 120.668 120.400 -0.117 0.000 2.057 760 K HA -0.220 4.100 4.320 0.000 0.000 0.207 760 K C 1.980 178.562 176.600 -0.030 0.000 1.049 760 K CA 1.081 57.360 56.287 -0.013 0.000 0.931 760 K CB -0.461 32.085 32.500 0.077 0.000 0.714 760 K HN 0.412 nan 8.250 nan 0.000 0.440 761 Q N 1.395 121.148 119.800 -0.078 0.000 2.084 761 Q HA -0.178 4.162 4.340 0.000 0.000 0.202 761 Q C 2.280 178.196 176.000 -0.140 0.000 0.978 761 Q CA 1.663 57.415 55.803 -0.085 0.000 0.844 761 Q CB -0.571 28.114 28.738 -0.089 0.000 0.898 761 Q HN 0.373 nan 8.270 nan 0.000 0.426 762 c N 0.232 118.639 118.600 -0.321 0.000 2.425 762 c HA -0.077 4.493 4.570 0.000 0.000 0.277 762 c C 2.167 176.272 174.090 0.026 0.000 1.280 762 c CA 0.418 56.567 56.329 -0.299 0.000 1.744 762 c CB -1.335 40.809 42.510 -0.610 0.000 1.989 762 c HN 0.524 nan 8.230 nan 0.000 0.491 763 F N 1.576 121.482 119.950 -0.074 0.000 2.765 763 F HA 0.252 4.779 4.527 0.000 0.000 0.302 763 F C 1.643 177.429 175.800 -0.023 0.000 1.111 763 F CA 0.438 58.419 58.000 -0.033 0.000 1.359 763 F CB -1.154 37.835 39.000 -0.020 0.000 1.097 763 F HN 0.246 nan 8.300 nan 0.000 0.577 764 S N 0.773 116.558 115.700 0.141 0.000 3.812 764 S HA -0.171 4.299 4.470 0.000 0.000 0.341 764 S C -0.039 174.609 174.600 0.080 0.000 1.057 764 S CA 0.158 58.406 58.200 0.080 0.000 1.015 764 S CB -2.132 61.105 63.200 0.061 0.000 0.893 764 S HN 0.228 nan 8.310 nan 0.000 0.476 765 L N 1.083 122.362 121.223 0.095 0.000 2.304 765 L HA 0.711 5.051 4.340 0.000 0.000 0.268 765 L C -1.649 175.266 176.870 0.075 0.000 1.010 765 L CA -2.343 52.549 54.840 0.086 0.000 0.813 765 L CB 0.865 42.990 42.059 0.111 0.000 1.315 765 L HN 0.017 nan 8.230 nan 0.000 0.445 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.141 63.100 0.068 0.000 0.800 766 P CB 0.000 31.747 31.700 0.078 0.000 0.726