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 2g63_1_A DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFS 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 0.000 174.647 174.600 0.078 0.000 1.055 39 S CA 0.000 58.243 58.200 0.072 0.000 1.107 39 S CB 0.000 63.263 63.200 0.105 0.000 0.593 40 R N 1.950 122.497 120.500 0.078 0.000 3.523 40 R HA 0.231 4.570 4.340 -0.002 0.000 0.242 40 R C 0.688 177.041 176.300 0.088 0.000 0.921 40 R CA 0.014 56.160 56.100 0.078 0.000 1.145 40 R CB -0.585 29.761 30.300 0.076 0.000 0.953 40 R HN 0.817 nan 8.270 nan 0.000 0.461 41 K N -0.448 120.009 120.400 0.095 0.000 2.155 41 K HA 0.236 4.555 4.320 -0.002 0.000 0.237 41 K C -0.298 176.373 176.600 0.117 0.000 1.040 41 K CA -0.184 56.167 56.287 0.108 0.000 0.912 41 K CB 0.503 33.075 32.500 0.119 0.000 1.137 41 K HN 0.848 nan 8.250 nan 0.000 0.498 42 T N -2.946 111.688 114.554 0.134 0.000 2.938 42 T HA 0.267 4.616 4.350 -0.002 0.000 0.285 42 T C -0.703 174.128 174.700 0.219 0.000 1.028 42 T CA -0.767 61.426 62.100 0.154 0.000 1.005 42 T CB 0.537 69.493 68.868 0.147 0.000 1.157 42 T HN 0.475 nan 8.240 nan 0.000 0.550 43 Y N 2.651 123.018 120.300 0.111 0.000 2.539 43 Y HA 0.389 4.938 4.550 -0.002 0.000 0.352 43 Y C 0.938 176.996 175.900 0.263 0.000 1.004 43 Y CA -0.395 57.809 58.100 0.173 0.000 1.278 43 Y CB -0.246 38.274 38.460 0.100 0.000 1.136 43 Y HN 1.005 nan 8.280 nan 0.000 0.528 44 T N 2.261 116.813 114.554 -0.005 0.000 2.824 44 T HA 0.120 4.469 4.350 -0.002 0.000 0.277 44 T C 0.998 175.572 174.700 -0.211 0.000 0.975 44 T CA -0.680 61.445 62.100 0.041 0.000 0.966 44 T CB 1.161 70.032 68.868 0.004 0.000 1.054 44 T HN 0.679 nan 8.240 nan 0.000 0.533 45 L N 0.874 121.797 121.223 -0.500 0.000 2.046 45 L HA 0.032 4.371 4.340 -0.002 0.000 0.208 45 L C 2.615 179.334 176.870 -0.252 0.000 1.077 45 L CA 2.094 56.535 54.840 -0.664 0.000 0.747 45 L CB -1.486 40.048 42.059 -0.875 0.000 0.896 45 L HN 0.949 nan 8.230 nan 0.000 0.432 46 T N -0.511 113.920 114.554 -0.205 0.000 2.788 46 T HA -0.157 4.192 4.350 -0.002 0.000 0.268 46 T C 1.493 176.099 174.700 -0.157 0.000 1.044 46 T CA 1.442 63.456 62.100 -0.144 0.000 1.139 46 T CB -0.360 68.446 68.868 -0.102 0.000 0.867 46 T HN 0.406 nan 8.240 nan 0.000 0.454 47 D N 0.131 120.403 120.400 -0.213 0.000 2.117 47 D HA -0.093 4.546 4.640 -0.002 0.000 0.197 47 D C 1.754 177.943 176.300 -0.185 0.000 0.987 47 D CA 1.045 54.888 54.000 -0.262 0.000 0.829 47 D CB -0.335 40.217 40.800 -0.412 0.000 0.961 47 D HN 0.427 nan 8.370 nan 0.000 0.460 48 Y N 1.505 121.609 120.300 -0.326 0.000 2.163 48 Y HA -0.089 4.460 4.550 -0.002 0.000 0.288 48 Y C 2.161 178.066 175.900 0.008 0.000 1.136 48 Y CA 1.205 59.287 58.100 -0.029 0.000 1.147 48 Y CB -0.540 37.967 38.460 0.078 0.000 0.987 48 Y HN -0.105 nan 8.280 nan 0.000 0.509 49 L N -0.095 120.946 121.223 -0.303 0.000 2.217 49 L HA -0.118 4.221 4.340 -0.002 0.000 0.211 49 L C 1.812 178.573 176.870 -0.182 0.000 1.107 49 L CA 1.096 55.738 54.840 -0.329 0.000 0.783 49 L CB -0.386 41.556 42.059 -0.195 0.000 0.919 49 L HN 0.038 nan 8.230 nan 0.000 0.442 50 K N -0.074 120.242 120.400 -0.140 0.000 2.358 50 K HA 0.077 4.395 4.320 -0.002 0.000 0.197 50 K C -0.020 176.528 176.600 -0.087 0.000 1.025 50 K CA -0.131 56.096 56.287 -0.100 0.000 1.104 50 K CB -0.264 32.180 32.500 -0.094 0.000 0.855 50 K HN 0.259 nan 8.250 nan 0.000 0.531 51 N N 1.853 120.509 118.700 -0.074 0.000 2.667 51 N HA -0.220 4.519 4.740 -0.002 0.000 0.263 51 N C 0.541 176.027 175.510 -0.040 0.000 1.038 51 N CA 0.418 53.465 53.050 -0.005 0.000 0.749 51 N CB -0.257 38.226 38.487 -0.006 0.000 0.892 51 N HN 0.333 nan 8.380 nan 0.000 0.546 52 T N -2.282 112.194 114.554 -0.130 0.000 2.985 52 T HA -0.086 4.263 4.350 -0.002 0.000 0.266 52 T C 0.434 174.887 174.700 -0.411 0.000 1.076 52 T CA 0.956 62.857 62.100 -0.332 0.000 1.135 52 T CB -0.047 68.490 68.868 -0.553 0.000 0.890 52 T HN 0.350 nan 8.240 nan 0.000 0.480 53 Y N 1.820 122.213 120.300 0.154 0.000 2.721 53 Y HA 0.645 5.193 4.550 -0.002 0.000 0.328 53 Y C 0.350 176.358 175.900 0.180 0.000 1.003 53 Y CA -1.832 56.381 58.100 0.188 0.000 1.275 53 Y CB 0.604 39.238 38.460 0.289 0.000 1.097 53 Y HN 0.011 nan 8.280 nan 0.000 0.514 54 R N 2.492 123.125 120.500 0.222 0.000 2.357 54 R HA 0.499 4.838 4.340 -0.002 0.000 0.296 54 R C -1.102 175.305 176.300 0.178 0.000 1.052 54 R CA -0.261 55.941 56.100 0.170 0.000 0.988 54 R CB 0.522 30.881 30.300 0.099 0.000 1.025 54 R HN 0.711 nan 8.270 nan 0.000 0.469 55 L N 4.520 125.848 121.223 0.176 0.000 2.305 55 L HA 0.336 4.675 4.340 -0.002 0.000 0.281 55 L C 0.168 177.119 176.870 0.136 0.000 1.085 55 L CA -0.266 54.678 54.840 0.174 0.000 0.813 55 L CB 1.223 43.406 42.059 0.207 0.000 1.157 55 L HN 0.561 nan 8.230 nan 0.000 0.436 56 K N 4.615 125.093 120.400 0.130 0.000 2.143 56 K HA 0.627 4.946 4.320 -0.002 0.000 0.272 56 K C -0.802 175.859 176.600 0.102 0.000 1.001 56 K CA -0.496 55.849 56.287 0.096 0.000 0.915 56 K CB 1.493 34.044 32.500 0.086 0.000 1.047 56 K HN 0.414 nan 8.250 nan 0.000 0.458 57 L N 1.142 122.349 121.223 -0.027 0.000 2.235 57 L HA 0.519 4.858 4.340 -0.002 0.000 0.260 57 L C -0.850 175.751 176.870 -0.450 0.000 1.025 57 L CA -1.183 53.495 54.840 -0.271 0.000 0.836 57 L CB 0.739 42.743 42.059 -0.091 0.000 1.395 57 L HN 0.540 nan 8.230 nan 0.000 0.443 58 Y N 0.268 119.999 120.300 -0.948 0.000 2.544 58 Y HA 0.337 4.886 4.550 -0.002 0.000 0.347 58 Y C -0.692 175.008 175.900 -0.334 0.000 1.089 58 Y CA -0.576 57.197 58.100 -0.546 0.000 1.230 58 Y CB 1.087 39.092 38.460 -0.759 0.000 1.101 58 Y HN 0.472 nan 8.280 nan 0.000 0.641 59 S N 5.528 121.146 115.700 -0.137 0.000 2.405 59 S HA 0.473 4.941 4.470 -0.002 0.000 0.291 59 S C -0.453 174.106 174.600 -0.067 0.000 1.137 59 S CA -0.468 57.691 58.200 -0.069 0.000 1.061 59 S CB -0.281 62.884 63.200 -0.057 0.000 1.001 59 S HN 0.550 nan 8.310 nan 0.000 0.507 60 L N 1.136 122.291 121.223 -0.115 0.000 2.304 60 L HA 0.823 5.162 4.340 -0.002 0.000 0.268 60 L C -0.118 176.643 176.870 -0.182 0.000 1.010 60 L CA -0.870 53.846 54.840 -0.206 0.000 0.813 60 L CB 0.817 42.461 42.059 -0.692 0.000 1.315 60 L HN 0.279 nan 8.230 nan 0.000 0.445 61 R N 0.742 121.161 120.500 -0.134 0.000 2.500 61 R HA 0.290 4.629 4.340 -0.002 0.000 0.299 61 R C -1.985 174.338 176.300 0.039 0.000 1.038 61 R CA -0.501 55.585 56.100 -0.023 0.000 0.903 61 R CB 0.965 31.287 30.300 0.036 0.000 1.177 61 R HN 0.859 nan 8.270 nan 0.000 0.455 62 W N 5.637 127.035 121.300 0.162 0.000 2.308 62 W HA 0.126 4.785 4.660 -0.002 0.000 0.324 62 W C 1.792 178.392 176.519 0.134 0.000 1.387 62 W CA -0.373 57.083 57.345 0.184 0.000 1.250 62 W CB 0.503 30.068 29.460 0.174 0.000 1.257 62 W HN 0.568 nan 8.180 nan 0.000 0.554 63 I N 0.554 121.347 120.570 0.371 0.000 4.082 63 I HA 0.310 4.479 4.170 -0.002 0.000 0.337 63 I C 0.668 176.923 176.117 0.231 0.000 1.352 63 I CA -0.097 61.333 61.300 0.216 0.000 1.097 63 I CB -0.198 37.855 38.000 0.089 0.000 1.048 63 I HN 0.278 nan 8.210 nan 0.000 0.393 64 S N -0.438 115.454 115.700 0.321 0.000 2.755 64 S HA 0.263 4.732 4.470 -0.002 0.000 0.286 64 S C -0.304 174.431 174.600 0.225 0.000 1.207 64 S CA -0.211 58.154 58.200 0.276 0.000 0.892 64 S CB 1.365 64.763 63.200 0.330 0.000 1.240 64 S HN 0.068 nan 8.310 nan 0.000 0.525 65 D N -0.860 119.608 120.400 0.113 0.000 2.339 65 D HA 0.289 4.928 4.640 -0.002 0.000 0.217 65 D C 0.713 176.810 176.300 -0.338 0.000 1.050 65 D CA 0.722 54.579 54.000 -0.238 0.000 0.856 65 D CB 0.004 40.560 40.800 -0.406 0.000 0.922 65 D HN 0.603 nan 8.370 nan 0.000 0.518 66 H N -1.880 117.370 119.070 0.300 0.000 3.643 66 H HA 0.439 4.994 4.556 -0.002 0.000 0.256 66 H C -0.110 175.389 175.328 0.284 0.000 1.107 66 H CA -0.279 55.968 56.048 0.331 0.000 1.175 66 H CB 0.603 30.508 29.762 0.239 0.000 1.519 66 H HN -0.021 nan 8.280 nan 0.000 0.565 67 E N 0.645 121.130 120.200 0.476 0.000 2.336 67 E HA 0.440 4.789 4.350 -0.002 0.000 0.267 67 E C -1.437 175.393 176.600 0.383 0.000 0.906 67 E CA -1.315 55.261 56.400 0.294 0.000 0.781 67 E CB 2.906 32.700 29.700 0.158 0.000 1.261 67 E HN 0.211 nan 8.360 nan 0.000 0.436 68 Y N -1.030 119.316 120.300 0.077 0.000 2.588 68 Y HA 0.608 5.157 4.550 -0.002 0.000 0.343 68 Y C -1.620 174.249 175.900 -0.052 0.000 1.065 68 Y CA -1.360 56.657 58.100 -0.139 0.000 1.038 68 Y CB 0.796 38.789 38.460 -0.779 0.000 1.297 68 Y HN 0.333 nan 8.280 nan 0.000 0.467 69 L N 3.182 124.493 121.223 0.146 0.000 2.307 69 L HA 0.401 4.740 4.340 -0.002 0.000 0.282 69 L C -1.325 175.694 176.870 0.249 0.000 1.051 69 L CA -0.943 53.944 54.840 0.078 0.000 0.804 69 L CB 1.316 43.286 42.059 -0.148 0.000 1.197 69 L HN 0.763 nan 8.230 nan 0.000 0.431 70 Y N 3.722 124.095 120.300 0.122 0.000 2.363 70 Y HA 0.349 4.897 4.550 -0.002 0.000 0.325 70 Y C -0.461 175.416 175.900 -0.039 0.000 0.984 70 Y CA -1.152 56.946 58.100 -0.005 0.000 1.248 70 Y CB 0.820 39.275 38.460 -0.009 0.000 1.116 70 Y HN 0.443 nan 8.280 nan 0.000 0.470 71 K N 4.767 124.881 120.400 -0.477 0.000 2.202 71 K HA 0.343 4.661 4.320 -0.002 0.000 0.264 71 K C -0.494 175.723 176.600 -0.638 0.000 1.010 71 K CA -0.523 55.502 56.287 -0.438 0.000 0.940 71 K CB 1.192 33.514 32.500 -0.298 0.000 0.983 71 K HN 0.710 nan 8.250 nan 0.000 0.475 72 Q N 0.355 119.932 119.800 -0.372 0.000 2.633 72 Q HA 0.113 4.452 4.340 -0.002 0.000 0.292 72 Q C 0.492 176.391 176.000 -0.168 0.000 1.089 72 Q CA -0.743 54.883 55.803 -0.295 0.000 0.811 72 Q CB 1.541 30.170 28.738 -0.182 0.000 1.472 72 Q HN 0.574 nan 8.270 nan 0.000 0.464 73 E N 0.068 120.201 120.200 -0.112 0.000 2.209 73 E HA -0.218 4.131 4.350 -0.002 0.000 0.196 73 E C 0.554 177.134 176.600 -0.034 0.000 0.993 73 E CA 1.226 57.590 56.400 -0.060 0.000 0.819 73 E CB 0.354 30.030 29.700 -0.040 0.000 0.745 73 E HN 0.369 nan 8.360 nan 0.000 0.477 74 N N 0.042 118.715 118.700 -0.044 0.000 2.804 74 N HA -0.011 4.728 4.740 -0.002 0.000 0.233 74 N C 0.342 175.827 175.510 -0.042 0.000 1.020 74 N CA 0.415 53.451 53.050 -0.024 0.000 1.164 74 N CB -0.071 38.403 38.487 -0.022 0.000 1.571 74 N HN 0.119 nan 8.380 nan 0.000 0.551 75 N N 0.344 119.005 118.700 -0.065 0.000 2.471 75 N HA 0.452 5.191 4.740 -0.002 0.000 0.288 75 N C -0.851 174.595 175.510 -0.107 0.000 1.220 75 N CA -0.505 52.497 53.050 -0.081 0.000 0.893 75 N CB 1.335 39.788 38.487 -0.057 0.000 1.256 75 N HN 0.031 nan 8.380 nan 0.000 0.534 76 I N 0.434 120.951 120.570 -0.088 0.000 2.354 76 I HA 0.297 4.465 4.170 -0.002 0.000 0.292 76 I C -0.426 175.713 176.117 0.037 0.000 0.989 76 I CA -0.763 60.498 61.300 -0.066 0.000 1.188 76 I CB 0.782 38.730 38.000 -0.086 0.000 1.342 76 I HN 0.265 nan 8.210 nan 0.000 0.457 77 L N 6.371 127.630 121.223 0.060 0.000 2.352 77 L HA 0.624 4.963 4.340 -0.002 0.000 0.269 77 L C -0.368 176.538 176.870 0.061 0.000 1.034 77 L CA -1.017 53.850 54.840 0.046 0.000 0.806 77 L CB 2.118 44.188 42.059 0.019 0.000 1.244 77 L HN 0.300 nan 8.230 nan 0.000 0.447 78 V N 1.724 121.596 119.914 -0.069 0.000 2.448 78 V HA 0.503 4.622 4.120 -0.002 0.000 0.295 78 V C -0.994 174.930 176.094 -0.282 0.000 1.025 78 V CA -0.228 62.030 62.300 -0.069 0.000 0.859 78 V CB 1.424 33.278 31.823 0.050 0.000 0.988 78 V HN 0.451 nan 8.190 nan 0.000 0.431 79 F N 5.258 124.951 119.950 -0.429 0.000 2.492 79 F HA 0.508 5.034 4.527 -0.002 0.000 0.327 79 F C 0.511 176.027 175.800 -0.473 0.000 1.079 79 F CA -0.523 57.141 58.000 -0.561 0.000 0.967 79 F CB 1.695 40.041 39.000 -1.090 0.000 1.169 79 F HN 0.500 nan 8.300 nan 0.000 0.472 80 N N 1.953 120.599 118.700 -0.090 0.000 2.439 80 N HA 0.251 4.990 4.740 -0.002 0.000 0.249 80 N C 0.402 175.864 175.510 -0.079 0.000 1.003 80 N CA 0.061 53.092 53.050 -0.031 0.000 0.942 80 N CB 1.777 40.305 38.487 0.068 0.000 1.115 80 N HN 0.813 nan 8.380 nan 0.000 0.505 81 A N 3.716 126.444 122.820 -0.153 0.000 1.933 81 A HA -0.195 4.124 4.320 -0.002 0.000 0.218 81 A C 1.897 179.198 177.584 -0.471 0.000 1.175 81 A CA 1.675 53.526 52.037 -0.309 0.000 0.628 81 A CB -0.429 18.229 19.000 -0.570 0.000 0.814 81 A HN 0.823 nan 8.150 nan 0.000 0.444 82 E N -0.946 118.959 120.200 -0.493 0.000 2.031 82 E HA -0.194 4.155 4.350 -0.002 0.000 0.193 82 E C 1.416 177.708 176.600 -0.514 0.000 0.994 82 E CA 1.963 58.068 56.400 -0.492 0.000 0.800 82 E CB -0.379 28.916 29.700 -0.675 0.000 0.752 82 E HN 0.709 nan 8.360 nan 0.000 0.447 83 Y N -1.878 118.422 120.300 -0.001 0.000 2.507 83 Y HA 0.395 4.943 4.550 -0.002 0.000 0.263 83 Y C 1.710 177.613 175.900 0.005 0.000 1.093 83 Y CA 0.288 58.391 58.100 0.005 0.000 1.285 83 Y CB 0.783 39.247 38.460 0.007 0.000 1.115 83 Y HN 0.223 nan 8.280 nan 0.000 0.533 84 G N 0.766 109.639 108.800 0.121 0.000 2.175 84 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.244 84 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.244 84 G C 0.047 175.057 174.900 0.184 0.000 0.982 84 G CA 0.117 45.306 45.100 0.149 0.000 0.641 84 G HN 0.452 nan 8.290 nan 0.000 0.527 85 N N 0.646 119.410 118.700 0.107 0.000 2.467 85 N HA 0.567 5.305 4.740 -0.002 0.000 0.262 85 N C 0.083 175.486 175.510 -0.179 0.000 1.234 85 N CA 0.686 53.732 53.050 -0.007 0.000 0.952 85 N CB 1.540 40.025 38.487 -0.003 0.000 1.158 85 N HN 0.920 nan 8.380 nan 0.000 0.463 86 S N -0.589 114.906 115.700 -0.342 0.000 2.651 86 S HA 0.749 5.218 4.470 -0.002 0.000 0.279 86 S C -0.974 173.418 174.600 -0.347 0.000 1.148 86 S CA -0.832 57.012 58.200 -0.594 0.000 0.837 86 S CB 1.571 63.905 63.200 -1.443 0.000 1.138 86 S HN 0.636 nan 8.310 nan 0.000 0.478 87 S N -0.015 115.504 115.700 -0.301 0.000 2.588 87 S HA 0.593 5.061 4.470 -0.002 0.000 0.275 87 S C -0.976 173.549 174.600 -0.125 0.000 1.130 87 S CA -0.760 57.340 58.200 -0.166 0.000 0.855 87 S CB 1.633 64.770 63.200 -0.106 0.000 1.116 87 S HN 0.752 nan 8.310 nan 0.000 0.472 88 V N 2.949 122.812 119.914 -0.085 0.000 2.470 88 V HA 0.152 4.270 4.120 -0.002 0.000 0.276 88 V C 0.632 176.725 176.094 -0.003 0.000 1.040 88 V CA 0.224 62.498 62.300 -0.044 0.000 1.008 88 V CB 0.085 31.872 31.823 -0.060 0.000 0.990 88 V HN 0.944 nan 8.190 nan 0.000 0.477 89 F N 6.127 126.020 119.950 -0.095 0.000 2.149 89 F HA 0.202 4.728 4.527 -0.002 0.000 0.294 89 F C 0.657 176.415 175.800 -0.070 0.000 1.095 89 F CA 0.928 58.883 58.000 -0.074 0.000 1.276 89 F CB 0.498 39.462 39.000 -0.061 0.000 1.023 89 F HN 0.360 nan 8.300 nan 0.000 0.480 90 L N 0.467 121.706 121.223 0.027 0.000 2.614 90 L HA 0.440 4.778 4.340 -0.002 0.000 0.264 90 L C -1.187 175.633 176.870 -0.083 0.000 0.940 90 L CA -0.806 53.987 54.840 -0.078 0.000 0.903 90 L CB 0.791 42.838 42.059 -0.019 0.000 1.306 90 L HN -0.171 nan 8.230 nan 0.000 0.410 91 E N 2.580 122.704 120.200 -0.126 0.000 2.415 91 E HA 0.125 4.474 4.350 -0.002 0.000 0.262 91 E C 1.438 177.967 176.600 -0.118 0.000 1.038 91 E CA 0.656 56.987 56.400 -0.114 0.000 0.921 91 E CB 0.858 30.485 29.700 -0.121 0.000 0.950 91 E HN 0.736 nan 8.360 nan 0.000 0.438 92 N N 1.297 119.954 118.700 -0.070 0.000 2.166 92 N HA -0.221 4.518 4.740 -0.002 0.000 0.186 92 N C 1.334 176.827 175.510 -0.029 0.000 1.019 92 N CA 1.434 54.468 53.050 -0.026 0.000 0.856 92 N CB -0.276 38.203 38.487 -0.013 0.000 0.993 92 N HN 0.405 nan 8.380 nan 0.000 0.426 93 S N 0.630 116.290 115.700 -0.068 0.000 2.423 93 S HA -0.099 4.370 4.470 -0.002 0.000 0.231 93 S C 1.845 176.357 174.600 -0.148 0.000 1.014 93 S CA 1.316 59.474 58.200 -0.071 0.000 0.965 93 S CB -1.002 62.157 63.200 -0.068 0.000 0.785 93 S HN 0.295 nan 8.310 nan 0.000 0.495 94 T N 1.701 116.081 114.554 -0.290 0.000 2.701 94 T HA -0.181 4.168 4.350 -0.002 0.000 0.265 94 T C 0.482 174.742 174.700 -0.733 0.000 1.032 94 T CA 1.888 63.624 62.100 -0.606 0.000 1.158 94 T CB -0.596 67.676 68.868 -0.993 0.000 0.854 94 T HN 0.609 nan 8.240 nan 0.000 0.463 95 F N 0.690 120.583 119.950 -0.094 0.000 2.772 95 F HA 0.341 4.867 4.527 -0.002 0.000 0.302 95 F C 1.205 177.017 175.800 0.019 0.000 1.136 95 F CA -1.273 56.694 58.000 -0.055 0.000 1.322 95 F CB -0.008 38.907 39.000 -0.141 0.000 0.967 95 F HN -0.058 nan 8.300 nan 0.000 0.513 96 D N 1.164 121.621 120.400 0.094 0.000 2.133 96 D HA -0.197 4.442 4.640 -0.002 0.000 0.195 96 D C 1.484 177.835 176.300 0.084 0.000 0.997 96 D CA 1.578 55.621 54.000 0.072 0.000 0.840 96 D CB -0.034 40.778 40.800 0.020 0.000 0.947 96 D HN 0.538 nan 8.370 nan 0.000 0.452 97 E N -0.298 119.956 120.200 0.091 0.000 2.511 97 E HA 0.033 4.382 4.350 -0.002 0.000 0.214 97 E C 0.896 177.555 176.600 0.097 0.000 1.062 97 E CA -0.429 56.007 56.400 0.060 0.000 1.213 97 E CB -0.387 29.328 29.700 0.023 0.000 1.214 97 E HN 0.088 nan 8.360 nan 0.000 0.441 98 F N 2.284 122.240 119.950 0.010 0.000 2.293 98 F HA 0.090 4.615 4.527 -0.002 0.000 0.300 98 F C 1.690 177.394 175.800 -0.160 0.000 1.086 98 F CA 1.801 59.791 58.000 -0.017 0.000 1.375 98 F CB -0.061 38.925 39.000 -0.024 0.000 1.045 98 F HN 0.350 nan 8.300 nan 0.000 0.516 99 G N -0.541 108.112 108.800 -0.244 0.000 2.179 99 G HA2 -0.253 3.705 3.960 -0.002 0.000 0.260 99 G HA3 -0.253 3.705 3.960 -0.002 0.000 0.260 99 G C 0.056 174.523 174.900 -0.720 0.000 0.977 99 G CA 0.401 45.210 45.100 -0.485 0.000 0.641 99 G HN 0.573 nan 8.290 nan 0.000 0.533 100 H N -0.547 118.360 119.070 -0.272 0.000 2.930 100 H HA 0.569 5.123 4.556 -0.002 0.000 0.371 100 H C -0.518 174.830 175.328 0.033 0.000 1.169 100 H CA -0.101 55.832 56.048 -0.191 0.000 1.157 100 H CB 1.662 31.072 29.762 -0.586 0.000 1.789 100 H HN 0.143 nan 8.280 nan 0.000 0.547 101 S N 2.870 118.672 115.700 0.169 0.000 2.430 101 S HA 0.235 4.703 4.470 -0.002 0.000 0.282 101 S C 0.292 174.937 174.600 0.074 0.000 1.186 101 S CA -0.644 57.614 58.200 0.097 0.000 1.060 101 S CB -0.892 62.350 63.200 0.070 0.000 0.966 101 S HN 0.353 nan 8.310 nan 0.000 0.501 102 I N 6.259 126.811 120.570 -0.030 0.000 2.379 102 I HA 0.165 4.334 4.170 -0.002 0.000 0.290 102 I C 1.484 177.467 176.117 -0.224 0.000 1.063 102 I CA -0.394 60.784 61.300 -0.204 0.000 1.351 102 I CB 0.651 38.333 38.000 -0.530 0.000 1.410 102 I HN 0.729 nan 8.210 nan 0.000 0.505 103 N N 4.237 122.818 118.700 -0.197 0.000 2.280 103 N HA 0.053 4.792 4.740 -0.002 0.000 0.192 103 N C -0.286 175.095 175.510 -0.214 0.000 1.109 103 N CA 0.137 53.068 53.050 -0.200 0.000 0.855 103 N CB 0.699 39.050 38.487 -0.228 0.000 0.974 103 N HN 0.572 nan 8.380 nan 0.000 0.482 104 D N -0.936 119.294 120.400 -0.282 0.000 2.722 104 D HA 0.288 4.927 4.640 -0.002 0.000 0.231 104 D C -1.764 174.407 176.300 -0.216 0.000 1.218 104 D CA -0.422 53.486 54.000 -0.152 0.000 0.753 104 D CB 0.831 41.610 40.800 -0.036 0.000 1.471 104 D HN -0.079 nan 8.370 nan 0.000 0.455 105 Y N 0.005 120.319 120.300 0.024 0.000 2.598 105 Y HA 0.709 5.258 4.550 -0.002 0.000 0.340 105 Y C 0.237 176.218 175.900 0.135 0.000 1.038 105 Y CA -0.969 57.168 58.100 0.061 0.000 1.100 105 Y CB 2.319 40.808 38.460 0.047 0.000 1.281 105 Y HN 0.160 nan 8.280 nan 0.000 0.488 106 S N 1.660 117.596 115.700 0.392 0.000 2.680 106 S HA 0.521 4.990 4.470 -0.002 0.000 0.262 106 S C -1.379 173.511 174.600 0.483 0.000 1.138 106 S CA -0.472 57.968 58.200 0.400 0.000 1.072 106 S CB -0.129 63.314 63.200 0.405 0.000 1.097 106 S HN 0.568 nan 8.310 nan 0.000 0.468 107 I N 4.449 125.174 120.570 0.259 0.000 2.395 107 I HA 0.254 4.423 4.170 -0.002 0.000 0.289 107 I C 1.049 177.014 176.117 -0.253 0.000 1.023 107 I CA -0.413 60.947 61.300 0.100 0.000 1.350 107 I CB 1.554 39.582 38.000 0.046 0.000 1.409 107 I HN 0.739 nan 8.210 nan 0.000 0.507 108 S N 5.935 121.178 115.700 -0.761 0.000 2.563 108 S HA 0.101 4.569 4.470 -0.002 0.000 0.284 108 S C -1.822 172.484 174.600 -0.490 0.000 1.331 108 S CA -0.924 56.453 58.200 -1.371 0.000 1.047 108 S CB 0.497 62.815 63.200 -1.471 0.000 0.859 108 S HN 0.438 nan 8.310 nan 0.000 0.514 109 P HA -0.087 nan 4.420 nan 0.000 0.218 109 P C 0.709 177.962 177.300 -0.079 0.000 1.146 109 P CA 1.086 64.117 63.100 -0.115 0.000 0.813 109 P CB -0.007 31.652 31.700 -0.069 0.000 0.778 110 D N -1.457 118.876 120.400 -0.111 0.000 2.178 110 D HA -0.055 4.584 4.640 -0.002 0.000 0.201 110 D C 1.813 178.108 176.300 -0.009 0.000 0.980 110 D CA 1.787 55.768 54.000 -0.031 0.000 0.842 110 D CB -0.734 40.100 40.800 0.056 0.000 0.948 110 D HN 0.142 nan 8.370 nan 0.000 0.472 111 G N -0.001 108.790 108.800 -0.016 0.000 2.179 111 G HA2 -0.388 3.570 3.960 -0.002 0.000 0.260 111 G HA3 -0.388 3.570 3.960 -0.002 0.000 0.260 111 G C 1.069 175.987 174.900 0.029 0.000 0.977 111 G CA 0.700 45.874 45.100 0.122 0.000 0.641 111 G HN 0.418 nan 8.290 nan 0.000 0.533 112 Q N -1.428 118.298 119.800 -0.123 0.000 2.302 112 Q HA 0.375 4.713 4.340 -0.002 0.000 0.202 112 Q C 0.308 175.870 176.000 -0.729 0.000 0.936 112 Q CA 0.681 56.227 55.803 -0.429 0.000 0.886 112 Q CB 0.273 28.716 28.738 -0.491 0.000 0.986 112 Q HN 0.563 nan 8.270 nan 0.000 0.487 113 F N -0.652 119.249 119.950 -0.082 0.000 2.620 113 F HA 0.525 5.051 4.527 -0.002 0.000 0.320 113 F C -0.484 175.397 175.800 0.135 0.000 1.069 113 F CA -1.070 56.944 58.000 0.024 0.000 0.953 113 F CB 1.574 40.609 39.000 0.058 0.000 1.322 113 F HN -0.253 nan 8.300 nan 0.000 0.479 114 I N 2.821 123.727 120.570 0.561 0.000 2.478 114 I HA 0.281 4.450 4.170 -0.002 0.000 0.287 114 I C -1.472 174.980 176.117 0.558 0.000 1.042 114 I CA -0.859 60.764 61.300 0.538 0.000 1.067 114 I CB 2.063 40.373 38.000 0.516 0.000 1.233 114 I HN 0.272 nan 8.210 nan 0.000 0.431 115 L N 7.717 129.292 121.223 0.586 0.000 2.278 115 L HA 0.427 4.766 4.340 -0.002 0.000 0.287 115 L C -0.701 176.308 176.870 0.231 0.000 1.072 115 L CA 0.076 55.147 54.840 0.385 0.000 0.819 115 L CB 0.591 42.824 42.059 0.290 0.000 1.176 115 L HN 0.422 nan 8.230 nan 0.000 0.435 116 L N 5.325 126.605 121.223 0.095 0.000 2.265 116 L HA 0.453 4.792 4.340 -0.002 0.000 0.289 116 L C 0.113 176.968 176.870 -0.024 0.000 1.033 116 L CA -0.313 54.431 54.840 -0.160 0.000 0.814 116 L CB 1.198 42.923 42.059 -0.556 0.000 1.203 116 L HN 0.605 nan 8.230 nan 0.000 0.423 117 E N 4.316 124.440 120.200 -0.127 0.000 2.156 117 E HA 0.428 4.777 4.350 -0.002 0.000 0.279 117 E C -1.517 174.994 176.600 -0.148 0.000 0.965 117 E CA -0.503 55.713 56.400 -0.306 0.000 0.789 117 E CB 1.008 30.599 29.700 -0.182 0.000 1.098 117 E HN 0.450 nan 8.360 nan 0.000 0.397 118 Y N 1.602 121.673 120.300 -0.381 0.000 2.728 118 Y HA 0.430 4.978 4.550 -0.002 0.000 0.330 118 Y C -0.187 175.593 175.900 -0.201 0.000 1.234 118 Y CA -1.661 56.311 58.100 -0.214 0.000 1.070 118 Y CB 0.369 38.769 38.460 -0.100 0.000 1.300 118 Y HN 0.512 nan 8.280 nan 0.000 0.467 119 N N -0.537 118.136 118.700 -0.044 0.000 2.735 119 N HA -0.299 4.440 4.740 -0.002 0.000 0.248 119 N C -0.953 174.496 175.510 -0.101 0.000 1.083 119 N CA 1.027 54.009 53.050 -0.115 0.000 0.703 119 N CB -1.652 36.659 38.487 -0.294 0.000 1.005 119 N HN 0.862 nan 8.380 nan 0.000 0.550 120 Y N 0.252 120.455 120.300 -0.161 0.000 2.632 120 Y HA 0.260 4.809 4.550 -0.002 0.000 0.329 120 Y C 0.016 175.860 175.900 -0.093 0.000 1.174 120 Y CA 0.055 58.060 58.100 -0.158 0.000 1.469 120 Y CB 0.680 39.001 38.460 -0.232 0.000 1.242 120 Y HN -0.010 nan 8.280 nan 0.000 0.540 121 V N 8.222 127.732 119.914 -0.673 0.000 2.419 121 V HA 0.192 4.311 4.120 -0.002 0.000 0.287 121 V C -0.291 175.384 176.094 -0.698 0.000 1.017 121 V CA -1.374 60.599 62.300 -0.543 0.000 0.844 121 V CB 1.263 32.933 31.823 -0.256 0.000 1.011 121 V HN 0.767 nan 8.190 nan 0.000 0.429 122 K N 3.789 123.754 120.400 -0.726 0.000 2.382 122 K HA 0.224 4.543 4.320 -0.002 0.000 0.275 122 K C 0.418 176.860 176.600 -0.265 0.000 1.009 122 K CA 0.220 56.275 56.287 -0.387 0.000 0.970 122 K CB 1.253 33.718 32.500 -0.059 0.000 0.934 122 K HN 0.808 nan 8.250 nan 0.000 0.479 123 Q N 3.051 122.692 119.800 -0.266 0.000 2.729 123 Q HA 0.179 4.518 4.340 -0.002 0.000 0.228 123 Q C -0.038 175.748 176.000 -0.356 0.000 1.021 123 Q CA -0.399 55.060 55.803 -0.572 0.000 0.561 123 Q CB 0.114 28.348 28.738 -0.839 0.000 3.921 123 Q HN 0.736 nan 8.270 nan 0.000 0.430 124 W N 0.195 121.495 121.300 -0.000 0.000 1.836 124 W HA 0.387 5.045 4.660 -0.002 0.000 0.628 124 W C 1.843 178.355 176.519 -0.010 0.000 1.626 124 W CA -0.752 56.620 57.345 0.046 0.000 1.714 124 W CB -0.111 29.342 29.460 -0.012 0.000 3.166 124 W HN 0.274 nan 8.180 nan 0.000 0.772 125 R N -0.577 120.024 120.500 0.168 0.000 2.096 125 R HA -0.145 4.194 4.340 -0.002 0.000 0.235 125 R C 1.667 177.800 176.300 -0.279 0.000 1.127 125 R CA 1.714 57.732 56.100 -0.136 0.000 0.968 125 R CB -0.327 29.740 30.300 -0.389 0.000 0.861 125 R HN 0.499 nan 8.270 nan 0.000 0.440 126 H N -1.440 117.718 119.070 0.146 0.000 2.800 126 H HA 0.148 4.702 4.556 -0.002 0.000 0.257 126 H C 0.619 176.055 175.328 0.181 0.000 0.967 126 H CA 0.474 56.630 56.048 0.179 0.000 1.192 126 H CB 0.208 30.046 29.762 0.127 0.000 1.441 126 H HN 0.132 nan 8.280 nan 0.000 0.461 127 S N 1.378 117.103 115.700 0.041 0.000 2.585 127 S HA 0.361 4.829 4.470 -0.002 0.000 0.273 127 S C -0.277 174.213 174.600 -0.183 0.000 1.339 127 S CA -0.415 57.524 58.200 -0.434 0.000 1.028 127 S CB 0.642 63.042 63.200 -1.333 0.000 0.906 127 S HN 0.444 nan 8.310 nan 0.000 0.528 128 Y N -2.131 118.043 120.300 -0.209 0.000 2.774 128 Y HA 0.657 5.206 4.550 -0.002 0.000 0.346 128 Y C -0.801 175.100 175.900 0.003 0.000 1.222 128 Y CA -0.824 57.168 58.100 -0.181 0.000 1.088 128 Y CB 0.489 38.840 38.460 -0.181 0.000 1.354 128 Y HN 0.909 nan 8.280 nan 0.000 0.455 129 T N -0.091 114.553 114.554 0.152 0.000 2.930 129 T HA 1.030 5.379 4.350 -0.002 0.000 0.290 129 T C -0.497 174.304 174.700 0.169 0.000 1.052 129 T CA -0.135 62.059 62.100 0.157 0.000 1.017 129 T CB 1.795 70.692 68.868 0.049 0.000 1.137 129 T HN 1.978 nan 8.240 nan 0.000 0.511 130 A N 0.755 123.639 122.820 0.108 0.000 2.511 130 A HA 0.769 5.088 4.320 -0.002 0.000 0.293 130 A C -0.757 176.616 177.584 -0.353 0.000 1.098 130 A CA -0.981 50.961 52.037 -0.158 0.000 0.643 130 A CB 0.923 19.796 19.000 -0.212 0.000 1.302 130 A HN 0.884 nan 8.150 nan 0.000 0.446 131 S N -0.648 114.585 115.700 -0.778 0.000 2.549 131 S HA 0.803 5.272 4.470 -0.002 0.000 0.297 131 S C -1.573 172.366 174.600 -1.101 0.000 1.115 131 S CA -0.086 57.580 58.200 -0.891 0.000 1.059 131 S CB 0.727 63.123 63.200 -1.341 0.000 1.046 131 S HN 0.445 nan 8.310 nan 0.000 0.506 132 Y N 0.311 120.391 120.300 -0.368 0.000 2.512 132 Y HA 0.514 5.063 4.550 -0.002 0.000 0.348 132 Y C -0.261 175.678 175.900 0.065 0.000 0.990 132 Y CA -0.932 57.100 58.100 -0.114 0.000 1.033 132 Y CB 1.734 40.072 38.460 -0.204 0.000 1.259 132 Y HN 0.488 nan 8.280 nan 0.000 0.461 133 D N 2.302 122.903 120.400 0.335 0.000 2.738 133 D HA 0.524 5.163 4.640 -0.002 0.000 0.237 133 D C -0.988 175.433 176.300 0.202 0.000 1.123 133 D CA -0.336 53.832 54.000 0.281 0.000 0.856 133 D CB 2.690 43.749 40.800 0.432 0.000 1.552 133 D HN 0.404 nan 8.370 nan 0.000 0.480 134 I N 1.927 122.613 120.570 0.193 0.000 2.354 134 I HA 0.234 4.403 4.170 -0.002 0.000 0.292 134 I C -0.831 175.495 176.117 0.349 0.000 0.989 134 I CA -0.958 60.493 61.300 0.251 0.000 1.188 134 I CB 1.316 39.409 38.000 0.155 0.000 1.342 134 I HN 0.228 nan 8.210 nan 0.000 0.457 135 Y N 5.763 126.242 120.300 0.297 0.000 2.331 135 Y HA 0.264 4.813 4.550 -0.002 0.000 0.338 135 Y C -0.069 176.041 175.900 0.350 0.000 0.976 135 Y CA -0.725 57.565 58.100 0.316 0.000 1.137 135 Y CB 0.990 39.683 38.460 0.388 0.000 1.172 135 Y HN 0.491 nan 8.280 nan 0.000 0.478 136 D N 6.669 126.954 120.400 -0.192 0.000 2.352 136 D HA 0.063 4.702 4.640 -0.002 0.000 0.245 136 D C 0.721 176.711 176.300 -0.517 0.000 1.224 136 D CA 0.293 54.179 54.000 -0.190 0.000 0.879 136 D CB 0.861 41.611 40.800 -0.084 0.000 1.057 136 D HN 0.878 nan 8.370 nan 0.000 0.491 137 L N 3.568 124.580 121.223 -0.350 0.000 2.376 137 L HA -0.103 4.236 4.340 -0.002 0.000 0.219 137 L C 1.934 178.634 176.870 -0.284 0.000 1.133 137 L CA 0.245 54.945 54.840 -0.233 0.000 0.816 137 L CB -0.210 41.756 42.059 -0.156 0.000 0.933 137 L HN 0.371 nan 8.230 nan 0.000 0.449 138 N N 1.431 119.917 118.700 -0.356 0.000 2.083 138 N HA -0.152 4.586 4.740 -0.002 0.000 0.190 138 N C 1.563 176.952 175.510 -0.203 0.000 1.047 138 N CA 1.391 54.281 53.050 -0.267 0.000 0.845 138 N CB -0.184 38.135 38.487 -0.279 0.000 1.025 138 N HN 0.440 nan 8.380 nan 0.000 0.428 139 K N 1.335 121.613 120.400 -0.203 0.000 2.487 139 K HA 0.168 4.487 4.320 -0.002 0.000 0.192 139 K C -0.288 176.207 176.600 -0.176 0.000 1.027 139 K CA -0.042 56.154 56.287 -0.152 0.000 1.054 139 K CB 0.169 32.603 32.500 -0.110 0.000 0.824 139 K HN 0.049 nan 8.250 nan 0.000 0.510 140 R N 0.447 120.786 120.500 -0.270 0.000 3.416 140 R HA -0.211 4.128 4.340 -0.002 0.000 0.263 140 R C -0.879 175.253 176.300 -0.280 0.000 1.053 140 R CA 0.726 56.669 56.100 -0.262 0.000 0.705 140 R CB -2.328 27.945 30.300 -0.045 0.000 1.124 140 R HN 0.496 nan 8.270 nan 0.000 0.444 141 Q N 0.163 119.686 119.800 -0.462 0.000 2.372 141 Q HA 0.569 4.908 4.340 -0.002 0.000 0.273 141 Q C -0.778 175.114 176.000 -0.180 0.000 1.078 141 Q CA -0.744 54.945 55.803 -0.190 0.000 0.806 141 Q CB 1.902 30.590 28.738 -0.083 0.000 1.332 141 Q HN 0.295 nan 8.270 nan 0.000 0.435 142 L N 3.722 125.024 121.223 0.132 0.000 2.331 142 L HA 0.367 4.706 4.340 -0.002 0.000 0.278 142 L C -0.404 176.559 176.870 0.154 0.000 1.106 142 L CA -0.282 54.721 54.840 0.273 0.000 0.824 142 L CB 0.602 42.890 42.059 0.382 0.000 1.142 142 L HN 0.610 nan 8.230 nan 0.000 0.443 143 I N 3.097 123.758 120.570 0.152 0.000 2.379 143 I HA 0.015 4.184 4.170 -0.002 0.000 0.290 143 I C 1.210 177.380 176.117 0.088 0.000 1.063 143 I CA 0.073 61.431 61.300 0.096 0.000 1.351 143 I CB 1.163 39.210 38.000 0.078 0.000 1.410 143 I HN 0.697 nan 8.210 nan 0.000 0.505 144 T N 0.986 115.576 114.554 0.060 0.000 3.040 144 T HA 0.116 4.465 4.350 -0.002 0.000 0.250 144 T C 0.476 175.183 174.700 0.012 0.000 1.058 144 T CA -0.353 61.774 62.100 0.045 0.000 0.988 144 T CB 0.026 68.921 68.868 0.044 0.000 0.993 144 T HN 0.591 nan 8.240 nan 0.000 0.519 145 E N 1.601 121.802 120.200 0.000 0.000 2.214 145 E HA 0.285 4.634 4.350 -0.002 0.000 0.274 145 E C -0.484 176.090 176.600 -0.044 0.000 0.977 145 E CA -0.668 55.719 56.400 -0.022 0.000 0.827 145 E CB 0.909 30.598 29.700 -0.018 0.000 1.130 145 E HN 0.083 nan 8.360 nan 0.000 0.394 146 E N 0.387 120.549 120.200 -0.064 0.000 2.440 146 E HA -0.248 4.101 4.350 -0.002 0.000 0.246 146 E C -0.060 176.471 176.600 -0.116 0.000 1.165 146 E CA 0.970 57.315 56.400 -0.092 0.000 0.726 146 E CB -1.652 28.001 29.700 -0.079 0.000 1.271 146 E HN 0.755 nan 8.360 nan 0.000 0.397 147 R N -0.336 120.095 120.500 -0.116 0.000 2.694 147 R HA 0.395 4.734 4.340 -0.002 0.000 0.268 147 R C 0.791 176.938 176.300 -0.256 0.000 1.061 147 R CA -0.443 55.576 56.100 -0.136 0.000 1.133 147 R CB 0.460 30.715 30.300 -0.075 0.000 1.020 147 R HN 0.040 nan 8.270 nan 0.000 0.475 148 I N 3.526 123.898 120.570 -0.330 0.000 2.683 148 I HA 0.037 4.206 4.170 -0.002 0.000 0.286 148 I C -1.397 174.421 176.117 -0.497 0.000 1.175 148 I CA -1.602 59.332 61.300 -0.609 0.000 1.429 148 I CB 0.396 38.004 38.000 -0.654 0.000 1.371 148 I HN 0.587 nan 8.210 nan 0.000 0.569 149 P HA 0.017 nan 4.420 nan 0.000 0.270 149 P C -0.857 176.236 177.300 -0.345 0.000 1.223 149 P CA -0.235 62.501 63.100 -0.606 0.000 0.785 149 P CB 0.517 31.491 31.700 -1.210 0.000 0.923 150 N N 1.831 120.408 118.700 -0.206 0.000 2.424 150 N HA 0.030 4.768 4.740 -0.002 0.000 0.257 150 N C 0.695 176.265 175.510 0.100 0.000 1.250 150 N CA 0.038 53.032 53.050 -0.094 0.000 0.946 150 N CB -0.330 38.104 38.487 -0.089 0.000 1.175 150 N HN 0.440 nan 8.380 nan 0.000 0.477 151 N N -1.075 117.670 118.700 0.074 0.000 2.776 151 N HA -0.150 4.588 4.740 -0.002 0.000 0.249 151 N C -0.850 174.822 175.510 0.271 0.000 1.111 151 N CA 0.704 53.840 53.050 0.144 0.000 0.711 151 N CB -1.693 36.891 38.487 0.162 0.000 1.065 151 N HN 0.474 nan 8.380 nan 0.000 0.556 152 T N 0.804 115.515 114.554 0.263 0.000 2.901 152 T HA 0.127 4.476 4.350 -0.002 0.000 0.301 152 T C 1.719 176.574 174.700 0.258 0.000 1.012 152 T CA 0.053 62.334 62.100 0.303 0.000 1.135 152 T CB 1.273 70.237 68.868 0.160 0.000 0.936 152 T HN 0.160 nan 8.240 nan 0.000 0.539 153 Q N 1.715 121.657 119.800 0.236 0.000 2.250 153 Q HA 0.146 4.485 4.340 -0.002 0.000 0.200 153 Q C 0.160 176.316 176.000 0.260 0.000 0.941 153 Q CA 0.467 56.426 55.803 0.259 0.000 0.872 153 Q CB 0.741 29.577 28.738 0.165 0.000 0.965 153 Q HN 0.693 nan 8.270 nan 0.000 0.480 154 W N -0.175 121.079 121.300 -0.077 0.000 3.571 154 W HA 0.461 5.120 4.660 -0.002 0.000 0.294 154 W C -2.312 174.115 176.519 -0.155 0.000 1.257 154 W CA -0.584 56.669 57.345 -0.153 0.000 1.206 154 W CB 1.265 30.570 29.460 -0.260 0.000 1.325 154 W HN -0.357 nan 8.180 nan 0.000 0.546 155 V N 3.342 122.517 119.914 -1.232 0.000 2.888 155 V HA 0.697 4.816 4.120 -0.002 0.000 0.309 155 V C -0.535 174.919 176.094 -1.066 0.000 1.114 155 V CA -0.582 61.146 62.300 -0.953 0.000 0.940 155 V CB 1.911 33.086 31.823 -1.081 0.000 1.021 155 V HN 0.504 nan 8.190 nan 0.000 0.426 156 T N 2.633 116.879 114.554 -0.514 0.000 3.097 156 T HA 0.505 4.854 4.350 -0.002 0.000 0.332 156 T C -1.563 173.149 174.700 0.021 0.000 1.269 156 T CA -0.335 61.649 62.100 -0.193 0.000 1.076 156 T CB 0.794 69.781 68.868 0.198 0.000 1.209 156 T HN 0.503 nan 8.240 nan 0.000 0.474 157 W N 2.984 124.323 121.300 0.066 0.000 2.129 157 W HA 0.479 5.138 4.660 -0.002 0.000 0.349 157 W C 1.256 177.626 176.519 -0.247 0.000 1.279 157 W CA -0.495 56.836 57.345 -0.023 0.000 1.306 157 W CB 0.546 29.995 29.460 -0.018 0.000 1.140 157 W HN 0.787 nan 8.180 nan 0.000 0.613 158 S N 0.813 116.282 115.700 -0.385 0.000 2.600 158 S HA 0.156 4.625 4.470 -0.002 0.000 0.265 158 S C -1.899 172.437 174.600 -0.439 0.000 1.325 158 S CA -0.965 56.480 58.200 -1.259 0.000 1.002 158 S CB 0.768 63.207 63.200 -1.268 0.000 0.921 158 S HN 0.258 nan 8.310 nan 0.000 0.554 159 P HA -0.042 nan 4.420 nan 0.000 0.220 159 P C 1.271 178.528 177.300 -0.072 0.000 1.148 159 P CA 0.984 64.037 63.100 -0.077 0.000 0.803 159 P CB -0.089 31.605 31.700 -0.011 0.000 0.782 160 V N -5.085 114.745 119.914 -0.141 0.000 3.444 160 V HA 0.447 4.566 4.120 -0.002 0.000 0.210 160 V C 1.812 177.826 176.094 -0.133 0.000 1.217 160 V CA 0.774 63.011 62.300 -0.105 0.000 1.302 160 V CB -1.430 30.340 31.823 -0.089 0.000 1.341 160 V HN 0.029 nan 8.190 nan 0.000 0.522 161 G N 1.758 110.442 108.800 -0.193 0.000 2.434 161 G HA2 -0.008 3.951 3.960 -0.002 0.000 0.150 161 G HA3 -0.008 3.951 3.960 -0.002 0.000 0.150 161 G C 0.806 175.596 174.900 -0.183 0.000 1.744 161 G CA 1.155 46.096 45.100 -0.264 0.000 0.973 161 G HN 1.137 nan 8.290 nan 0.000 0.397 162 H N -1.507 117.575 119.070 0.021 0.000 3.043 162 H HA 0.380 4.935 4.556 -0.002 0.000 0.244 162 H C -0.174 175.341 175.328 0.312 0.000 1.199 162 H CA -0.531 55.595 56.048 0.129 0.000 0.956 162 H CB -0.168 29.703 29.762 0.181 0.000 2.305 162 H HN 0.192 nan 8.280 nan 0.000 0.665 163 K N 1.696 122.222 120.400 0.209 0.000 2.219 163 K HA 0.437 4.756 4.320 -0.002 0.000 0.258 163 K C -0.456 176.274 176.600 0.216 0.000 1.008 163 K CA -0.221 56.158 56.287 0.153 0.000 0.928 163 K CB 1.525 33.959 32.500 -0.109 0.000 0.983 163 K HN 0.132 nan 8.250 nan 0.000 0.484 164 L N 0.901 122.252 121.223 0.214 0.000 2.401 164 L HA 0.571 4.910 4.340 -0.002 0.000 0.266 164 L C -1.046 176.006 176.870 0.303 0.000 0.991 164 L CA -0.829 54.078 54.840 0.113 0.000 0.818 164 L CB 2.175 44.134 42.059 -0.166 0.000 1.321 164 L HN 0.707 nan 8.230 nan 0.000 0.413 165 A N 2.633 125.624 122.820 0.284 0.000 2.359 165 A HA 0.802 5.121 4.320 -0.002 0.000 0.303 165 A C -1.596 176.014 177.584 0.043 0.000 1.066 165 A CA -0.377 51.732 52.037 0.119 0.000 0.730 165 A CB 1.096 20.097 19.000 0.002 0.000 1.211 165 A HN 0.643 nan 8.150 nan 0.000 0.439 166 Y N -0.329 119.921 120.300 -0.083 0.000 2.615 166 Y HA 0.797 5.345 4.550 -0.002 0.000 0.341 166 Y C -1.196 174.709 175.900 0.009 0.000 1.089 166 Y CA -1.624 56.407 58.100 -0.114 0.000 1.049 166 Y CB 1.215 39.544 38.460 -0.218 0.000 1.296 166 Y HN 0.385 nan 8.280 nan 0.000 0.470 167 V N 2.033 122.078 119.914 0.217 0.000 2.495 167 V HA 0.375 4.494 4.120 -0.002 0.000 0.298 167 V C -1.492 174.811 176.094 0.348 0.000 1.031 167 V CA -0.636 61.761 62.300 0.163 0.000 0.871 167 V CB 1.359 33.186 31.823 0.007 0.000 0.988 167 V HN 0.880 nan 8.190 nan 0.000 0.432 168 W N 5.063 126.460 121.300 0.161 0.000 3.042 168 W HA 0.469 5.127 4.660 -0.002 0.000 0.337 168 W C 0.259 176.829 176.519 0.085 0.000 1.086 168 W CA -0.685 56.730 57.345 0.116 0.000 1.236 168 W CB 1.224 30.734 29.460 0.084 0.000 1.381 168 W HN 0.784 nan 8.180 nan 0.000 0.472 169 N N 5.646 123.937 118.700 -0.681 0.000 2.735 169 N HA -0.346 4.392 4.740 -0.002 0.000 0.248 169 N C 0.180 175.495 175.510 -0.325 0.000 1.083 169 N CA 1.069 53.712 53.050 -0.678 0.000 0.703 169 N CB -1.097 36.714 38.487 -1.127 0.000 1.005 169 N HN 0.878 nan 8.380 nan 0.000 0.550 170 N N -1.758 116.823 118.700 -0.198 0.000 2.828 170 N HA -0.166 4.573 4.740 -0.002 0.000 0.248 170 N C -1.252 174.164 175.510 -0.157 0.000 1.044 170 N CA 1.106 54.062 53.050 -0.156 0.000 0.851 170 N CB -0.369 37.987 38.487 -0.219 0.000 1.136 170 N HN 0.427 nan 8.380 nan 0.000 0.572 171 D N 0.545 120.865 120.400 -0.133 0.000 2.340 171 D HA 0.492 5.130 4.640 -0.002 0.000 0.240 171 D C 0.182 176.293 176.300 -0.314 0.000 1.001 171 D CA -0.356 53.482 54.000 -0.270 0.000 0.888 171 D CB 1.641 42.241 40.800 -0.333 0.000 1.310 171 D HN 0.031 nan 8.370 nan 0.000 0.474 172 I N 1.686 121.893 120.570 -0.605 0.000 2.396 172 I HA 0.233 4.401 4.170 -0.002 0.000 0.292 172 I C -0.699 174.881 176.117 -0.896 0.000 0.999 172 I CA -0.443 60.482 61.300 -0.625 0.000 1.310 172 I CB 0.586 38.136 38.000 -0.750 0.000 1.404 172 I HN 0.163 nan 8.210 nan 0.000 0.496 173 Y N 4.111 124.010 120.300 -0.668 0.000 2.512 173 Y HA 0.623 5.172 4.550 -0.002 0.000 0.348 173 Y C -0.355 175.186 175.900 -0.599 0.000 0.990 173 Y CA -0.902 56.761 58.100 -0.729 0.000 1.033 173 Y CB 2.105 39.854 38.460 -1.185 0.000 1.259 173 Y HN 0.108 nan 8.280 nan 0.000 0.461 174 V N 2.789 122.617 119.914 -0.142 0.000 2.588 174 V HA 0.448 4.567 4.120 -0.002 0.000 0.304 174 V C -0.806 175.402 176.094 0.190 0.000 1.042 174 V CA -1.351 60.968 62.300 0.032 0.000 0.877 174 V CB 2.018 33.876 31.823 0.058 0.000 0.996 174 V HN 0.612 nan 8.190 nan 0.000 0.425 175 K N 3.844 124.371 120.400 0.212 0.000 2.394 175 K HA 0.554 4.873 4.320 -0.002 0.000 0.260 175 K C 0.539 177.272 176.600 0.222 0.000 0.967 175 K CA -0.494 55.913 56.287 0.199 0.000 0.855 175 K CB 1.749 34.327 32.500 0.129 0.000 1.101 175 K HN 0.575 nan 8.250 nan 0.000 0.433 176 I N 1.335 122.059 120.570 0.257 0.000 2.617 176 I HA -0.103 4.066 4.170 -0.002 0.000 0.256 176 I C 0.331 176.576 176.117 0.214 0.000 1.167 176 I CA 1.122 62.560 61.300 0.230 0.000 1.469 176 I CB 0.273 38.418 38.000 0.242 0.000 1.098 176 I HN 0.456 nan 8.210 nan 0.000 0.436 177 E N -0.470 119.816 120.200 0.144 0.000 2.314 177 E HA 0.249 4.598 4.350 -0.002 0.000 0.272 177 E C -1.953 174.600 176.600 -0.078 0.000 0.884 177 E CA -1.891 54.539 56.400 0.049 0.000 0.753 177 E CB 1.718 31.451 29.700 0.055 0.000 1.213 177 E HN -0.253 nan 8.360 nan 0.000 0.432 178 P HA -0.194 nan 4.420 nan 0.000 0.216 178 P C 0.838 178.043 177.300 -0.157 0.000 1.154 178 P CA 1.530 64.448 63.100 -0.304 0.000 0.865 178 P CB 0.292 31.574 31.700 -0.695 0.000 0.789 179 N N -1.599 117.032 118.700 -0.116 0.000 2.336 179 N HA 0.005 4.744 4.740 -0.002 0.000 0.189 179 N C 0.154 175.639 175.510 -0.042 0.000 1.113 179 N CA 0.349 53.367 53.050 -0.054 0.000 0.858 179 N CB -0.415 38.060 38.487 -0.020 0.000 0.970 179 N HN 0.081 nan 8.380 nan 0.000 0.471 180 L N 1.153 122.352 121.223 -0.040 0.000 2.399 180 L HA 0.535 4.874 4.340 -0.002 0.000 0.265 180 L C -2.078 174.752 176.870 -0.067 0.000 1.089 180 L CA -2.239 52.578 54.840 -0.038 0.000 0.802 180 L CB 0.585 42.641 42.059 -0.006 0.000 1.180 180 L HN -0.103 nan 8.230 nan 0.000 0.454 181 P HA 0.113 nan 4.420 nan 0.000 0.269 181 P C -0.893 176.288 177.300 -0.198 0.000 1.209 181 P CA -0.033 62.979 63.100 -0.146 0.000 0.776 181 P CB 0.519 32.117 31.700 -0.170 0.000 0.876 182 S N 1.219 116.846 115.700 -0.121 0.000 2.601 182 S HA 0.319 4.787 4.470 -0.002 0.000 0.271 182 S C -0.552 173.977 174.600 -0.120 0.000 1.305 182 S CA -0.108 58.065 58.200 -0.045 0.000 1.022 182 S CB -0.013 63.242 63.200 0.091 0.000 0.940 182 S HN 0.242 nan 8.310 nan 0.000 0.525 183 Y N 1.389 121.712 120.300 0.038 0.000 2.326 183 Y HA 0.360 4.909 4.550 -0.002 0.000 0.337 183 Y C 0.857 176.684 175.900 -0.121 0.000 1.023 183 Y CA -0.473 57.629 58.100 0.002 0.000 1.143 183 Y CB 0.684 39.142 38.460 -0.004 0.000 1.183 183 Y HN 0.459 nan 8.280 nan 0.000 0.485 184 R N 3.624 124.080 120.500 -0.073 0.000 2.390 184 R HA 0.235 4.574 4.340 -0.002 0.000 0.291 184 R C 0.077 176.054 176.300 -0.539 0.000 1.070 184 R CA -0.046 55.664 56.100 -0.650 0.000 1.014 184 R CB 0.521 30.186 30.300 -1.059 0.000 1.007 184 R HN 0.758 nan 8.270 nan 0.000 0.466 185 I N 1.318 121.447 120.570 -0.735 0.000 3.526 185 I HA 0.042 4.211 4.170 -0.002 0.000 0.294 185 I C 1.079 176.887 176.117 -0.515 0.000 1.229 185 I CA 0.705 61.719 61.300 -0.478 0.000 1.408 185 I CB -0.061 37.639 38.000 -0.499 0.000 1.127 185 I HN 0.510 nan 8.210 nan 0.000 0.439 186 T N -1.237 112.809 114.554 -0.847 0.000 2.906 186 T HA 0.400 4.749 4.350 -0.002 0.000 0.295 186 T C -1.393 172.760 174.700 -0.911 0.000 1.061 186 T CA -0.281 61.435 62.100 -0.641 0.000 1.000 186 T CB 1.280 69.845 68.868 -0.506 0.000 1.103 186 T HN 0.146 nan 8.240 nan 0.000 0.486 187 W N 1.048 122.237 121.300 -0.185 0.000 2.534 187 W HA 0.237 4.896 4.660 -0.002 0.000 0.339 187 W C 1.861 178.325 176.519 -0.092 0.000 0.961 187 W CA 0.036 57.310 57.345 -0.119 0.000 1.545 187 W CB -0.249 29.162 29.460 -0.082 0.000 1.104 187 W HN 0.783 nan 8.180 nan 0.000 0.538 188 T N -2.454 112.132 114.554 0.053 0.000 3.081 188 T HA 0.269 4.618 4.350 -0.002 0.000 0.250 188 T C 1.278 175.963 174.700 -0.025 0.000 1.100 188 T CA 0.288 62.405 62.100 0.028 0.000 1.038 188 T CB -0.232 68.651 68.868 0.025 0.000 0.962 188 T HN 0.028 nan 8.240 nan 0.000 0.516 189 G N 1.430 110.181 108.800 -0.081 0.000 2.265 189 G HA2 0.320 4.279 3.960 -0.002 0.000 0.240 189 G HA3 0.320 4.279 3.960 -0.002 0.000 0.240 189 G C -0.569 174.259 174.900 -0.120 0.000 1.270 189 G CA -0.368 44.659 45.100 -0.121 0.000 0.901 189 G HN 0.595 nan 8.290 nan 0.000 0.507 190 K N 2.198 122.506 120.400 -0.153 0.000 2.615 190 K HA 0.199 4.518 4.320 -0.002 0.000 0.249 190 K C -0.038 176.433 176.600 -0.214 0.000 0.977 190 K CA -0.685 55.517 56.287 -0.142 0.000 0.833 190 K CB 1.402 33.857 32.500 -0.075 0.000 1.208 190 K HN 0.620 nan 8.250 nan 0.000 0.443 191 E N 3.460 123.540 120.200 -0.199 0.000 2.765 191 E HA -0.187 4.161 4.350 -0.002 0.000 0.256 191 E C -0.555 175.949 176.600 -0.159 0.000 0.935 191 E CA 1.175 57.456 56.400 -0.199 0.000 0.954 191 E CB 0.232 29.855 29.700 -0.128 0.000 0.908 191 E HN 0.691 nan 8.360 nan 0.000 0.500 192 D N 2.495 122.786 120.400 -0.181 0.000 3.059 192 D HA -0.237 4.402 4.640 -0.002 0.000 0.213 192 D C 0.494 176.842 176.300 0.079 0.000 1.144 192 D CA 1.342 55.366 54.000 0.040 0.000 0.975 192 D CB -0.472 40.384 40.800 0.094 0.000 1.125 192 D HN 0.420 nan 8.370 nan 0.000 0.412 193 I N -1.011 119.508 120.570 -0.086 0.000 3.814 193 I HA 0.133 4.302 4.170 -0.002 0.000 0.264 193 I C 0.832 177.014 176.117 0.108 0.000 1.145 193 I CA 0.402 61.742 61.300 0.066 0.000 1.375 193 I CB 0.267 38.285 38.000 0.030 0.000 1.638 193 I HN -0.116 nan 8.210 nan 0.000 0.432 194 I N 1.823 122.358 120.570 -0.058 0.000 2.389 194 I HA 0.257 4.425 4.170 -0.002 0.000 0.288 194 I C -1.363 174.718 176.117 -0.059 0.000 0.999 194 I CA -0.438 60.896 61.300 0.055 0.000 1.129 194 I CB 1.289 39.305 38.000 0.026 0.000 1.288 194 I HN 0.036 nan 8.210 nan 0.000 0.444 195 Y N 4.618 124.996 120.300 0.131 0.000 2.328 195 Y HA 0.380 4.929 4.550 -0.002 0.000 0.333 195 Y C 0.298 176.232 175.900 0.058 0.000 0.958 195 Y CA -0.917 57.257 58.100 0.123 0.000 1.167 195 Y CB 1.018 39.634 38.460 0.261 0.000 1.151 195 Y HN 0.416 nan 8.280 nan 0.000 0.470 196 N N 2.130 120.870 118.700 0.066 0.000 2.444 196 N HA 0.356 5.095 4.740 -0.002 0.000 0.262 196 N C 0.857 176.275 175.510 -0.154 0.000 0.974 196 N CA 0.468 53.477 53.050 -0.069 0.000 0.933 196 N CB 1.873 40.217 38.487 -0.238 0.000 1.137 196 N HN 0.983 nan 8.380 nan 0.000 0.498 197 G N 1.592 110.314 108.800 -0.131 0.000 2.205 197 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.261 197 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.261 197 G C 0.147 174.883 174.900 -0.273 0.000 0.980 197 G CA 0.750 45.708 45.100 -0.238 0.000 0.632 197 G HN 0.654 nan 8.290 nan 0.000 0.533 198 I N -1.596 118.888 120.570 -0.144 0.000 2.934 198 I HA 0.811 4.979 4.170 -0.002 0.000 0.306 198 I C 0.329 176.500 176.117 0.089 0.000 1.110 198 I CA -0.643 60.502 61.300 -0.258 0.000 1.019 198 I CB 2.012 39.679 38.000 -0.554 0.000 1.227 198 I HN 0.176 nan 8.210 nan 0.000 0.434 199 T N -0.498 114.058 114.554 0.004 0.000 2.899 199 T HA 0.378 4.726 4.350 -0.002 0.000 0.284 199 T C -0.210 174.352 174.700 -0.231 0.000 1.004 199 T CA -0.654 61.346 62.100 -0.166 0.000 1.043 199 T CB 1.340 70.154 68.868 -0.090 0.000 1.013 199 T HN 0.766 nan 8.240 nan 0.000 0.518 200 D N 0.174 120.188 120.400 -0.643 0.000 2.478 200 D HA 0.046 4.685 4.640 -0.002 0.000 0.269 200 D C 0.966 177.196 176.300 -0.116 0.000 1.232 200 D CA -1.112 52.486 54.000 -0.670 0.000 1.059 200 D CB 0.148 40.481 40.800 -0.779 0.000 1.104 200 D HN 0.706 nan 8.370 nan 0.000 0.566 201 W N 0.259 121.513 121.300 -0.078 0.000 2.317 201 W HA -0.243 4.416 4.660 -0.002 0.000 0.318 201 W C 2.179 178.594 176.519 -0.174 0.000 1.227 201 W CA 2.561 59.848 57.345 -0.097 0.000 1.269 201 W CB -0.495 28.846 29.460 -0.198 0.000 1.155 201 W HN 0.196 nan 8.180 nan 0.000 0.484 202 V N -0.187 119.790 119.914 0.104 0.000 2.427 202 V HA -0.291 3.828 4.120 -0.002 0.000 0.248 202 V C 1.884 177.790 176.094 -0.314 0.000 1.051 202 V CA 2.025 64.258 62.300 -0.112 0.000 1.048 202 V CB -0.751 31.031 31.823 -0.068 0.000 0.666 202 V HN 0.309 nan 8.190 nan 0.000 0.456 203 Y N 0.679 120.778 120.300 -0.335 0.000 2.293 203 Y HA -0.162 4.387 4.550 -0.002 0.000 0.291 203 Y C 2.565 178.335 175.900 -0.216 0.000 1.137 203 Y CA 2.072 59.973 58.100 -0.332 0.000 1.202 203 Y CB -0.042 38.088 38.460 -0.551 0.000 0.990 203 Y HN 0.428 nan 8.280 nan 0.000 0.537 204 E N 0.415 120.560 120.200 -0.092 0.000 2.028 204 E HA -0.279 4.070 4.350 -0.002 0.000 0.191 204 E C 2.012 178.552 176.600 -0.100 0.000 0.988 204 E CA 1.519 57.899 56.400 -0.035 0.000 0.799 204 E CB -0.040 29.645 29.700 -0.025 0.000 0.755 204 E HN 0.413 nan 8.360 nan 0.000 0.447 205 E N 0.160 120.107 120.200 -0.422 0.000 2.072 205 E HA -0.152 4.196 4.350 -0.002 0.000 0.190 205 E C 1.610 178.070 176.600 -0.234 0.000 0.982 205 E CA 1.446 57.586 56.400 -0.433 0.000 0.803 205 E CB 0.190 29.277 29.700 -1.021 0.000 0.755 205 E HN 0.233 nan 8.360 nan 0.000 0.453 206 E N -0.686 119.350 120.200 -0.273 0.000 2.447 206 E HA 0.054 4.403 4.350 -0.002 0.000 0.204 206 E C 1.613 178.064 176.600 -0.248 0.000 0.977 206 E CA 0.727 57.012 56.400 -0.191 0.000 0.950 206 E CB 1.247 30.828 29.700 -0.199 0.000 0.975 206 E HN 0.297 nan 8.360 nan 0.000 0.496 207 V N -1.851 117.869 119.914 -0.323 0.000 3.137 207 V HA 0.163 4.281 4.120 -0.002 0.000 0.236 207 V C 0.912 176.752 176.094 -0.423 0.000 1.260 207 V CA 0.246 62.277 62.300 -0.448 0.000 1.244 207 V CB -0.046 31.338 31.823 -0.732 0.000 1.016 207 V HN -0.021 nan 8.190 nan 0.000 0.477 208 F N 1.522 121.480 119.950 0.013 0.000 2.731 208 F HA 0.487 5.013 4.527 -0.002 0.000 0.298 208 F C 1.572 177.336 175.800 -0.060 0.000 1.106 208 F CA 0.378 58.405 58.000 0.045 0.000 1.329 208 F CB -0.043 39.033 39.000 0.127 0.000 1.100 208 F HN 0.176 nan 8.300 nan 0.000 0.592 209 S N 0.651 116.363 115.700 0.021 0.000 3.549 209 S HA 0.007 4.476 4.470 -0.002 0.000 0.366 209 S C 0.105 174.332 174.600 -0.622 0.000 1.012 209 S CA 0.478 58.560 58.200 -0.196 0.000 1.141 209 S CB -1.731 61.392 63.200 -0.129 0.000 0.910 209 S HN 0.660 nan 8.310 nan 0.000 0.471 210 A N -0.586 122.085 122.820 -0.247 0.000 2.586 210 A HA 0.688 5.006 4.320 -0.002 0.000 0.291 210 A C -0.323 177.255 177.584 -0.010 0.000 1.062 210 A CA -0.486 51.422 52.037 -0.215 0.000 0.666 210 A CB 0.221 19.089 19.000 -0.220 0.000 1.281 210 A HN 0.336 nan 8.150 nan 0.000 0.421 211 Y N 1.148 121.307 120.300 -0.235 0.000 2.448 211 Y HA 0.235 4.784 4.550 -0.002 0.000 0.289 211 Y C 1.520 177.137 175.900 -0.471 0.000 1.114 211 Y CA 0.946 58.911 58.100 -0.224 0.000 1.235 211 Y CB 0.024 38.404 38.460 -0.135 0.000 1.045 211 Y HN 0.673 nan 8.280 nan 0.000 0.554 212 S N 0.597 115.768 115.700 -0.883 0.000 2.549 212 S HA 0.451 4.920 4.470 -0.002 0.000 0.283 212 S C 0.341 174.399 174.600 -0.903 0.000 1.320 212 S CA 0.209 57.630 58.200 -1.299 0.000 1.058 212 S CB 0.453 62.536 63.200 -1.861 0.000 0.882 212 S HN 0.421 nan 8.310 nan 0.000 0.498 213 A N 4.429 126.724 122.820 -0.876 0.000 2.806 213 A HA 0.512 4.831 4.320 -0.002 0.000 0.266 213 A C -0.747 176.150 177.584 -1.145 0.000 0.926 213 A CA -0.606 50.875 52.037 -0.926 0.000 1.068 213 A CB -0.354 18.535 19.000 -0.184 0.000 1.189 213 A HN 0.876 nan 8.150 nan 0.000 0.481 214 L N -4.877 115.524 121.223 -1.369 0.000 2.422 214 L HA 0.913 5.252 4.340 -0.002 0.000 0.264 214 L C -1.297 175.040 176.870 -0.889 0.000 0.984 214 L CA -1.087 53.263 54.840 -0.816 0.000 0.819 214 L CB 1.151 42.952 42.059 -0.429 0.000 1.330 214 L HN 0.211 nan 8.230 nan 0.000 0.410 215 W N 1.854 123.184 121.300 0.049 0.000 2.687 215 W HA 0.323 4.982 4.660 -0.002 0.000 0.328 215 W C -1.444 175.288 176.519 0.353 0.000 1.012 215 W CA -0.771 56.722 57.345 0.248 0.000 1.262 215 W CB 1.520 31.180 29.460 0.334 0.000 1.331 215 W HN 0.620 nan 8.180 nan 0.000 0.433 216 W N 2.429 123.933 121.300 0.340 0.000 2.170 216 W HA 0.215 4.874 4.660 -0.002 0.000 0.336 216 W C 1.328 177.688 176.519 -0.265 0.000 1.283 216 W CA 0.370 57.780 57.345 0.109 0.000 1.224 216 W CB 0.833 30.332 29.460 0.065 0.000 1.132 216 W HN 0.186 nan 8.180 nan 0.000 0.571 217 S N 2.308 117.765 115.700 -0.404 0.000 2.624 217 S HA 0.225 4.694 4.470 -0.002 0.000 0.263 217 S C -1.798 172.536 174.600 -0.443 0.000 1.287 217 S CA -1.012 56.368 58.200 -1.368 0.000 0.990 217 S CB 0.965 63.420 63.200 -1.241 0.000 0.950 217 S HN 0.275 nan 8.310 nan 0.000 0.561 218 P HA -0.184 nan 4.420 nan 0.000 0.217 218 P C 0.861 178.127 177.300 -0.057 0.000 1.162 218 P CA 1.830 64.891 63.100 -0.066 0.000 0.901 218 P CB -0.230 31.477 31.700 0.012 0.000 0.793 219 N N -2.042 116.614 118.700 -0.073 0.000 2.268 219 N HA 0.137 4.876 4.740 -0.002 0.000 0.204 219 N C 1.058 176.497 175.510 -0.119 0.000 1.124 219 N CA 0.527 53.531 53.050 -0.076 0.000 0.838 219 N CB -0.731 37.725 38.487 -0.052 0.000 0.994 219 N HN 0.226 nan 8.380 nan 0.000 0.489 220 G N -1.025 107.708 108.800 -0.112 0.000 2.179 220 G HA2 -0.356 3.603 3.960 -0.002 0.000 0.260 220 G HA3 -0.356 3.603 3.960 -0.002 0.000 0.260 220 G C 1.027 175.958 174.900 0.052 0.000 0.977 220 G CA 0.762 45.795 45.100 -0.111 0.000 0.641 220 G HN 0.378 nan 8.290 nan 0.000 0.533 221 T N 0.035 114.544 114.554 -0.075 0.000 2.708 221 T HA 0.163 4.512 4.350 -0.002 0.000 0.266 221 T C 0.847 175.378 174.700 -0.280 0.000 1.037 221 T CA 1.408 63.356 62.100 -0.255 0.000 1.146 221 T CB -0.096 68.477 68.868 -0.492 0.000 0.865 221 T HN 0.301 nan 8.240 nan 0.000 0.435 222 F N 0.206 120.192 119.950 0.060 0.000 2.458 222 F HA 0.631 5.156 4.527 -0.002 0.000 0.330 222 F C -0.248 175.615 175.800 0.104 0.000 1.082 222 F CA -1.672 56.392 58.000 0.106 0.000 0.995 222 F CB 1.260 40.381 39.000 0.201 0.000 1.170 222 F HN -0.112 nan 8.300 nan 0.000 0.478 223 L N 2.835 124.200 121.223 0.236 0.000 2.372 223 L HA 0.803 5.142 4.340 -0.002 0.000 0.273 223 L C -0.709 176.239 176.870 0.130 0.000 0.989 223 L CA -0.485 54.296 54.840 -0.099 0.000 0.841 223 L CB 0.710 42.426 42.059 -0.572 0.000 1.225 223 L HN 0.653 nan 8.230 nan 0.000 0.414 224 A N 4.644 127.627 122.820 0.271 0.000 2.303 224 A HA 0.806 5.125 4.320 -0.002 0.000 0.317 224 A C -1.373 176.272 177.584 0.101 0.000 1.149 224 A CA -0.238 51.846 52.037 0.079 0.000 0.822 224 A CB 0.630 19.749 19.000 0.198 0.000 1.131 224 A HN 0.911 nan 8.150 nan 0.000 0.493 225 Y N -1.824 118.243 120.300 -0.388 0.000 2.624 225 Y HA 0.746 5.295 4.550 -0.002 0.000 0.334 225 Y C -0.383 175.345 175.900 -0.287 0.000 1.155 225 Y CA -0.915 57.050 58.100 -0.225 0.000 1.046 225 Y CB 0.846 39.144 38.460 -0.269 0.000 1.316 225 Y HN 0.934 nan 8.280 nan 0.000 0.457 226 A N 2.189 125.063 122.820 0.091 0.000 2.320 226 A HA 0.683 5.002 4.320 -0.002 0.000 0.334 226 A C -1.168 176.275 177.584 -0.235 0.000 1.147 226 A CA -0.840 51.130 52.037 -0.113 0.000 0.820 226 A CB 1.716 20.620 19.000 -0.158 0.000 1.218 226 A HN 0.808 nan 8.150 nan 0.000 0.482 227 Q N 1.119 120.719 119.800 -0.334 0.000 2.321 227 Q HA 0.602 4.941 4.340 -0.002 0.000 0.270 227 Q C -2.053 173.698 176.000 -0.415 0.000 1.032 227 Q CA -0.365 55.330 55.803 -0.180 0.000 0.784 227 Q CB 1.077 29.919 28.738 0.173 0.000 1.264 227 Q HN 0.596 nan 8.270 nan 0.000 0.448 228 F N 2.243 122.292 119.950 0.166 0.000 2.480 228 F HA 0.438 4.964 4.527 -0.002 0.000 0.329 228 F C 0.364 176.319 175.800 0.258 0.000 1.091 228 F CA -0.940 57.138 58.000 0.128 0.000 0.972 228 F CB 1.462 40.438 39.000 -0.040 0.000 1.150 228 F HN 0.443 nan 8.300 nan 0.000 0.467 229 N N 1.552 120.485 118.700 0.388 0.000 2.483 229 N HA 0.233 4.972 4.740 -0.002 0.000 0.267 229 N C -0.878 174.814 175.510 0.303 0.000 0.998 229 N CA -0.404 52.835 53.050 0.315 0.000 0.918 229 N CB 1.049 39.664 38.487 0.215 0.000 1.215 229 N HN 0.502 nan 8.380 nan 0.000 0.500 230 D N 1.559 122.163 120.400 0.340 0.000 2.368 230 D HA 0.119 4.758 4.640 -0.002 0.000 0.218 230 D C 1.212 177.635 176.300 0.205 0.000 1.112 230 D CA 0.177 54.349 54.000 0.286 0.000 0.834 230 D CB 0.447 41.474 40.800 0.379 0.000 0.953 230 D HN 0.506 nan 8.370 nan 0.000 0.505 231 T N 0.592 115.249 114.554 0.172 0.000 2.624 231 T HA -0.254 4.095 4.350 -0.002 0.000 0.266 231 T C 1.288 176.049 174.700 0.101 0.000 1.050 231 T CA 1.502 63.674 62.100 0.121 0.000 1.163 231 T CB -0.087 68.842 68.868 0.102 0.000 0.861 231 T HN 0.314 nan 8.240 nan 0.000 0.443 232 E N 0.242 120.501 120.200 0.099 0.000 2.451 232 E HA 0.199 4.547 4.350 -0.002 0.000 0.194 232 E C -0.517 176.135 176.600 0.087 0.000 1.027 232 E CA -0.286 56.163 56.400 0.081 0.000 0.914 232 E CB 0.591 30.331 29.700 0.066 0.000 1.054 232 E HN 0.201 nan 8.360 nan 0.000 0.461 233 V N 3.299 123.279 119.914 0.110 0.000 2.555 233 V HA 0.097 4.216 4.120 -0.002 0.000 0.286 233 V C -1.964 174.191 176.094 0.100 0.000 1.044 233 V CA -1.468 60.901 62.300 0.114 0.000 1.026 233 V CB 0.493 32.403 31.823 0.144 0.000 0.981 233 V HN 0.060 nan 8.190 nan 0.000 0.480 234 P HA 0.259 nan 4.420 nan 0.000 0.272 234 P C -0.776 176.567 177.300 0.070 0.000 1.230 234 P CA -0.251 62.891 63.100 0.069 0.000 0.788 234 P CB 0.497 32.236 31.700 0.064 0.000 0.949 235 L N 1.842 123.084 121.223 0.032 0.000 2.317 235 L HA 0.468 4.806 4.340 -0.002 0.000 0.281 235 L C 0.238 177.067 176.870 -0.067 0.000 1.024 235 L CA -0.996 53.846 54.840 0.003 0.000 0.810 235 L CB 1.122 43.176 42.059 -0.008 0.000 1.240 235 L HN 0.285 nan 8.230 nan 0.000 0.427 236 I N 2.489 122.975 120.570 -0.140 0.000 2.396 236 I HA 0.256 4.425 4.170 -0.002 0.000 0.292 236 I C -0.347 175.628 176.117 -0.235 0.000 0.999 236 I CA 0.205 61.324 61.300 -0.301 0.000 1.310 236 I CB 0.915 38.487 38.000 -0.713 0.000 1.404 236 I HN 0.572 nan 8.210 nan 0.000 0.496 237 E N 7.416 127.497 120.200 -0.198 0.000 2.248 237 E HA 0.525 4.873 4.350 -0.002 0.000 0.267 237 E C -1.780 174.758 176.600 -0.103 0.000 0.877 237 E CA -0.600 55.681 56.400 -0.199 0.000 0.759 237 E CB 2.035 31.647 29.700 -0.146 0.000 1.182 237 E HN 0.575 nan 8.360 nan 0.000 0.418 238 Y N -1.756 118.457 120.300 -0.147 0.000 2.609 238 Y HA 0.545 5.094 4.550 -0.002 0.000 0.336 238 Y C -0.678 175.152 175.900 -0.117 0.000 1.129 238 Y CA -1.279 56.741 58.100 -0.134 0.000 1.040 238 Y CB 0.877 39.263 38.460 -0.124 0.000 1.310 238 Y HN 0.213 nan 8.280 nan 0.000 0.460 239 S N 1.929 117.624 115.700 -0.008 0.000 2.584 239 S HA 0.478 4.947 4.470 -0.002 0.000 0.273 239 S C -1.396 173.074 174.600 -0.217 0.000 1.311 239 S CA -0.363 57.696 58.200 -0.236 0.000 1.034 239 S CB 0.488 63.395 63.200 -0.488 0.000 0.939 239 S HN 0.538 nan 8.310 nan 0.000 0.513 240 F N 2.173 121.871 119.950 -0.420 0.000 2.507 240 F HA 0.428 4.954 4.527 -0.002 0.000 0.328 240 F C -0.300 175.273 175.800 -0.378 0.000 1.136 240 F CA -0.941 56.906 58.000 -0.255 0.000 0.930 240 F CB 0.786 39.755 39.000 -0.052 0.000 1.166 240 F HN 0.645 nan 8.300 nan 0.000 0.436 241 Y N 2.787 122.856 120.300 -0.385 0.000 2.420 241 Y HA 0.103 4.652 4.550 -0.002 0.000 0.292 241 Y C 1.754 177.557 175.900 -0.162 0.000 1.119 241 Y CA 1.090 59.059 58.100 -0.219 0.000 1.229 241 Y CB -0.609 37.719 38.460 -0.219 0.000 1.026 241 Y HN 0.741 nan 8.280 nan 0.000 0.554 242 S N -0.220 115.345 115.700 -0.225 0.000 3.307 242 S HA -0.230 4.238 4.470 -0.002 0.000 0.634 242 S C -0.442 174.194 174.600 0.060 0.000 2.711 242 S CA 0.340 58.581 58.200 0.069 0.000 2.940 242 S CB -1.154 62.209 63.200 0.271 0.000 0.331 242 S HN 0.473 nan 8.310 nan 0.000 1.766 243 D N 1.552 122.012 120.400 0.100 0.000 2.400 243 D HA 0.126 4.765 4.640 -0.002 0.000 0.238 243 D C 1.392 177.723 176.300 0.051 0.000 1.157 243 D CA 0.369 54.409 54.000 0.067 0.000 0.889 243 D CB 0.266 41.109 40.800 0.071 0.000 1.199 243 D HN 0.629 nan 8.370 nan 0.000 0.436 244 E N 0.639 120.858 120.200 0.032 0.000 2.187 244 E HA -0.247 4.102 4.350 -0.002 0.000 0.199 244 E C 1.606 178.219 176.600 0.022 0.000 1.004 244 E CA 1.445 57.856 56.400 0.018 0.000 0.813 244 E CB 0.139 29.844 29.700 0.008 0.000 0.736 244 E HN 0.458 nan 8.360 nan 0.000 0.468 245 S N 0.067 115.786 115.700 0.031 0.000 2.474 245 S HA -0.079 4.390 4.470 -0.002 0.000 0.235 245 S C 1.135 175.760 174.600 0.042 0.000 0.997 245 S CA 0.039 58.258 58.200 0.032 0.000 0.949 245 S CB -0.182 63.039 63.200 0.035 0.000 0.766 245 S HN 0.249 nan 8.310 nan 0.000 0.517 246 L N 2.381 123.638 121.223 0.056 0.000 2.456 246 L HA 0.130 4.468 4.340 -0.002 0.000 0.277 246 L C 1.617 178.521 176.870 0.058 0.000 1.124 246 L CA 0.035 54.919 54.840 0.074 0.000 0.880 246 L CB 0.870 42.986 42.059 0.095 0.000 1.192 246 L HN 0.445 nan 8.230 nan 0.000 0.463 247 Q N 4.082 123.923 119.800 0.069 0.000 2.079 247 Q HA -0.107 4.232 4.340 -0.002 0.000 0.200 247 Q C -0.606 175.325 176.000 -0.115 0.000 0.974 247 Q CA 1.391 57.187 55.803 -0.012 0.000 0.840 247 Q CB 0.216 28.977 28.738 0.038 0.000 0.898 247 Q HN 0.586 nan 8.270 nan 0.000 0.430 248 Y N 0.457 120.767 120.300 0.017 0.000 2.341 248 Y HA 0.389 4.938 4.550 -0.002 0.000 0.338 248 Y C -2.071 173.832 175.900 0.004 0.000 0.965 248 Y CA -2.960 55.146 58.100 0.009 0.000 1.108 248 Y CB 1.356 39.814 38.460 -0.003 0.000 1.180 248 Y HN 0.125 nan 8.280 nan 0.000 0.458 249 P HA 0.045 nan 4.420 nan 0.000 0.267 249 P C -0.910 176.391 177.300 0.003 0.000 1.200 249 P CA -0.398 62.703 63.100 0.002 0.000 0.772 249 P CB 0.540 32.172 31.700 -0.113 0.000 0.855 250 K N 0.145 120.536 120.400 -0.015 0.000 2.098 250 K HA 0.556 4.875 4.320 -0.002 0.000 0.258 250 K C -0.765 175.790 176.600 -0.074 0.000 0.973 250 K CA -0.652 55.627 56.287 -0.014 0.000 0.898 250 K CB 0.630 33.144 32.500 0.023 0.000 1.057 250 K HN 0.177 nan 8.250 nan 0.000 0.447 251 T N 1.793 116.289 114.554 -0.097 0.000 2.756 251 T HA 0.219 4.568 4.350 -0.002 0.000 0.290 251 T C -0.328 174.247 174.700 -0.210 0.000 0.985 251 T CA -0.684 61.324 62.100 -0.154 0.000 0.955 251 T CB 1.015 69.808 68.868 -0.127 0.000 0.930 251 T HN 0.356 nan 8.240 nan 0.000 0.451 252 V N 6.200 125.894 119.914 -0.368 0.000 2.498 252 V HA 0.498 4.616 4.120 -0.002 0.000 0.279 252 V C 0.367 176.182 176.094 -0.466 0.000 1.048 252 V CA -0.648 61.378 62.300 -0.456 0.000 0.967 252 V CB 0.612 31.995 31.823 -0.733 0.000 0.988 252 V HN 0.764 nan 8.190 nan 0.000 0.473 253 R N 4.313 124.670 120.500 -0.238 0.000 2.532 253 R HA 0.781 5.120 4.340 -0.002 0.000 0.297 253 R C -1.526 174.757 176.300 -0.028 0.000 0.984 253 R CA -0.610 55.396 56.100 -0.156 0.000 0.884 253 R CB 1.664 31.904 30.300 -0.100 0.000 1.182 253 R HN 0.491 nan 8.270 nan 0.000 0.442 254 V N 1.634 121.542 119.914 -0.011 0.000 2.709 254 V HA 0.526 4.645 4.120 -0.002 0.000 0.308 254 V C -2.767 173.388 176.094 0.102 0.000 1.062 254 V CA -2.452 59.917 62.300 0.115 0.000 0.901 254 V CB 2.674 34.604 31.823 0.179 0.000 1.003 254 V HN 0.585 nan 8.190 nan 0.000 0.425 255 P HA 0.194 nan 4.420 nan 0.000 0.264 255 P C -1.750 175.660 177.300 0.185 0.000 1.229 255 P CA 0.654 63.866 63.100 0.187 0.000 0.780 255 P CB -0.394 31.460 31.700 0.256 0.000 0.808 256 Y N 6.752 127.032 120.300 -0.034 0.000 2.315 256 Y HA 0.407 4.956 4.550 -0.002 0.000 0.324 256 Y C -2.729 173.145 175.900 -0.043 0.000 1.062 256 Y CA -2.927 55.101 58.100 -0.120 0.000 1.159 256 Y CB 1.860 40.123 38.460 -0.327 0.000 1.145 256 Y HN 0.277 nan 8.280 nan 0.000 0.442 257 P HA 0.282 nan 4.420 nan 0.000 0.292 257 P C -1.019 176.335 177.300 0.089 0.000 1.326 257 P CA -0.303 62.844 63.100 0.079 0.000 0.787 257 P CB 1.568 33.295 31.700 0.045 0.000 0.903 258 K N 1.960 122.495 120.400 0.225 0.000 2.117 258 K HA 0.526 4.845 4.320 -0.002 0.000 0.240 258 K C 0.535 177.236 176.600 0.169 0.000 1.031 258 K CA -0.759 55.678 56.287 0.250 0.000 0.909 258 K CB 0.582 33.245 32.500 0.272 0.000 1.097 258 K HN 0.442 nan 8.250 nan 0.000 0.492 259 A N 0.705 123.650 122.820 0.208 0.000 2.561 259 A HA 0.281 4.599 4.320 -0.002 0.000 0.251 259 A C 1.162 178.786 177.584 0.065 0.000 1.062 259 A CA 1.040 53.188 52.037 0.184 0.000 0.761 259 A CB -1.288 17.914 19.000 0.336 0.000 0.986 259 A HN 0.897 nan 8.150 nan 0.000 0.510 260 G N 0.966 109.793 108.800 0.045 0.000 2.199 260 G HA2 0.108 4.067 3.960 -0.002 0.000 0.254 260 G HA3 0.108 4.067 3.960 -0.002 0.000 0.254 260 G C 0.674 175.585 174.900 0.019 0.000 0.982 260 G CA 0.715 45.813 45.100 -0.003 0.000 0.632 260 G HN 2.155 nan 8.290 nan 0.000 0.529 261 A N -0.357 122.492 122.820 0.049 0.000 2.249 261 A HA 0.750 5.069 4.320 -0.002 0.000 0.281 261 A C 0.869 178.485 177.584 0.053 0.000 1.127 261 A CA 0.313 52.383 52.037 0.055 0.000 0.833 261 A CB 0.629 19.677 19.000 0.081 0.000 1.140 261 A HN 1.161 nan 8.150 nan 0.000 0.502 262 V N 2.293 122.240 119.914 0.055 0.000 2.529 262 V HA 0.033 4.151 4.120 -0.002 0.000 0.292 262 V C 0.315 176.454 176.094 0.075 0.000 1.028 262 V CA -0.048 62.286 62.300 0.056 0.000 1.074 262 V CB -0.115 31.742 31.823 0.057 0.000 0.958 262 V HN 0.786 nan 8.190 nan 0.000 0.481 263 N N 6.222 124.965 118.700 0.072 0.000 2.495 263 N HA 0.489 5.227 4.740 -0.002 0.000 0.280 263 N C -2.333 173.259 175.510 0.138 0.000 1.168 263 N CA -1.495 51.620 53.050 0.107 0.000 0.978 263 N CB 1.296 39.841 38.487 0.097 0.000 1.191 263 N HN 0.403 nan 8.380 nan 0.000 0.497 264 P HA 0.127 nan 4.420 nan 0.000 0.274 264 P C -0.497 176.960 177.300 0.262 0.000 1.246 264 P CA -0.174 63.076 63.100 0.251 0.000 0.795 264 P CB 0.475 32.362 31.700 0.312 0.000 1.006 265 T N -2.130 112.567 114.554 0.237 0.000 2.948 265 T HA 0.610 4.959 4.350 -0.002 0.000 0.285 265 T C -0.323 174.532 174.700 0.258 0.000 1.019 265 T CA -0.857 61.350 62.100 0.179 0.000 1.013 265 T CB 1.482 70.414 68.868 0.107 0.000 1.117 265 T HN 0.355 nan 8.240 nan 0.000 0.533 266 V N 0.149 120.195 119.914 0.219 0.000 2.925 266 V HA 0.755 4.874 4.120 -0.002 0.000 0.311 266 V C -1.554 174.652 176.094 0.187 0.000 1.104 266 V CA -0.843 61.565 62.300 0.179 0.000 0.954 266 V CB 2.096 34.081 31.823 0.270 0.000 1.022 266 V HN 1.052 nan 8.190 nan 0.000 0.427 267 K N 4.144 124.589 120.400 0.075 0.000 2.443 267 K HA 0.623 4.941 4.320 -0.002 0.000 0.251 267 K C -1.962 174.611 176.600 -0.044 0.000 0.972 267 K CA -0.528 55.774 56.287 0.026 0.000 0.833 267 K CB 2.778 35.286 32.500 0.013 0.000 1.317 267 K HN 0.551 nan 8.250 nan 0.000 0.441 268 F N 1.843 121.525 119.950 -0.446 0.000 2.556 268 F HA 0.582 5.108 4.527 -0.002 0.000 0.314 268 F C -1.588 173.704 175.800 -0.847 0.000 1.106 268 F CA -0.686 57.045 58.000 -0.449 0.000 0.911 268 F CB 0.977 39.833 39.000 -0.240 0.000 1.190 268 F HN 0.387 nan 8.300 nan 0.000 0.448 269 F N 3.668 122.898 119.950 -1.202 0.000 2.613 269 F HA 0.776 5.302 4.527 -0.002 0.000 0.314 269 F C -1.032 174.130 175.800 -1.062 0.000 1.075 269 F CA -1.246 56.168 58.000 -0.977 0.000 0.945 269 F CB 2.040 40.419 39.000 -1.035 0.000 1.310 269 F HN 0.151 nan 8.300 nan 0.000 0.467 270 V N 2.287 121.990 119.914 -0.352 0.000 2.686 270 V HA 0.658 4.777 4.120 -0.002 0.000 0.306 270 V C -1.213 174.966 176.094 0.142 0.000 1.065 270 V CA -0.826 61.340 62.300 -0.223 0.000 0.894 270 V CB 2.013 33.480 31.823 -0.594 0.000 1.004 270 V HN 0.641 nan 8.190 nan 0.000 0.424 271 V N 4.307 124.378 119.914 0.262 0.000 2.680 271 V HA 0.553 4.672 4.120 -0.002 0.000 0.309 271 V C -0.241 176.098 176.094 0.407 0.000 1.052 271 V CA -0.625 61.861 62.300 0.310 0.000 0.908 271 V CB 2.052 33.989 31.823 0.191 0.000 1.001 271 V HN 1.005 nan 8.190 nan 0.000 0.431 272 N N 2.998 121.901 118.700 0.338 0.000 2.437 272 N HA 0.174 4.913 4.740 -0.002 0.000 0.243 272 N C 1.041 176.537 175.510 -0.024 0.000 1.041 272 N CA 0.283 53.392 53.050 0.099 0.000 0.940 272 N CB 1.115 39.646 38.487 0.073 0.000 1.133 272 N HN 0.900 nan 8.380 nan 0.000 0.506 273 T N -0.178 114.346 114.554 -0.050 0.000 3.160 273 T HA 0.010 4.359 4.350 -0.002 0.000 0.257 273 T C 0.430 175.070 174.700 -0.100 0.000 1.147 273 T CA 0.489 62.562 62.100 -0.044 0.000 1.064 273 T CB 0.078 69.010 68.868 0.107 0.000 0.949 273 T HN 0.406 nan 8.240 nan 0.000 0.526 274 D N 0.761 121.080 120.400 -0.135 0.000 2.389 274 D HA 0.167 4.806 4.640 -0.002 0.000 0.206 274 D C 0.590 176.828 176.300 -0.103 0.000 1.055 274 D CA 0.189 54.116 54.000 -0.122 0.000 0.856 274 D CB 0.433 41.146 40.800 -0.145 0.000 0.957 274 D HN 0.327 nan 8.370 nan 0.000 0.509 275 S N 1.004 116.647 115.700 -0.095 0.000 2.449 275 S HA 0.250 4.719 4.470 -0.002 0.000 0.237 275 S C 0.187 174.742 174.600 -0.075 0.000 1.214 275 S CA -0.505 57.664 58.200 -0.053 0.000 1.226 275 S CB -0.045 63.159 63.200 0.006 0.000 0.904 275 S HN 0.215 nan 8.310 nan 0.000 0.490 276 L N -0.804 120.311 121.223 -0.181 0.000 2.346 276 L HA 0.745 5.084 4.340 -0.002 0.000 0.274 276 L C 0.659 177.405 176.870 -0.208 0.000 1.007 276 L CA -0.787 53.891 54.840 -0.270 0.000 0.818 276 L CB 1.695 43.395 42.059 -0.599 0.000 1.284 276 L HN 0.210 nan 8.230 nan 0.000 0.424 277 S N 1.553 117.261 115.700 0.013 0.000 2.440 277 S HA 0.166 4.635 4.470 -0.002 0.000 0.194 277 S C 0.935 175.811 174.600 0.459 0.000 0.952 277 S CA 0.850 59.156 58.200 0.176 0.000 0.898 277 S CB -0.069 63.206 63.200 0.126 0.000 0.875 277 S HN 1.395 nan 8.310 nan 0.000 0.581 278 S N -1.541 114.395 115.700 0.392 0.000 4.504 278 S HA -0.078 4.391 4.470 -0.002 0.000 0.075 278 S C 0.657 175.356 174.600 0.165 0.000 0.897 278 S CA 0.312 58.681 58.200 0.283 0.000 0.915 278 S CB -1.431 61.853 63.200 0.139 0.000 0.495 278 S HN 0.612 nan 8.310 nan 0.000 0.786 279 V N 1.829 121.833 119.914 0.150 0.000 3.307 279 V HA 0.331 4.450 4.120 -0.002 0.000 0.244 279 V C 0.972 177.118 176.094 0.087 0.000 1.196 279 V CA 1.280 63.638 62.300 0.096 0.000 1.132 279 V CB 0.395 32.261 31.823 0.072 0.000 0.875 279 V HN 0.621 nan 8.190 nan 0.000 0.468 280 T N 1.745 116.361 114.554 0.103 0.000 2.909 280 T HA 0.334 4.682 4.350 -0.002 0.000 0.286 280 T C -0.134 174.635 174.700 0.115 0.000 1.002 280 T CA -0.385 61.761 62.100 0.078 0.000 1.074 280 T CB 0.720 69.628 68.868 0.067 0.000 0.984 280 T HN 0.151 nan 8.240 nan 0.000 0.495 281 N N 2.182 120.926 118.700 0.073 0.000 2.401 281 N HA 0.379 5.118 4.740 -0.002 0.000 0.255 281 N C 0.293 175.891 175.510 0.147 0.000 1.110 281 N CA -0.236 52.900 53.050 0.144 0.000 0.949 281 N CB 0.809 39.264 38.487 -0.053 0.000 1.110 281 N HN 0.857 nan 8.380 nan 0.000 0.490 282 A N 2.457 125.382 122.820 0.175 0.000 2.615 282 A HA 0.067 4.386 4.320 -0.002 0.000 0.230 282 A C 0.352 178.006 177.584 0.117 0.000 1.062 282 A CA 0.397 52.499 52.037 0.109 0.000 0.758 282 A CB -0.050 18.988 19.000 0.063 0.000 0.995 282 A HN 0.545 nan 8.150 nan 0.000 0.511 283 T N 2.472 117.092 114.554 0.110 0.000 2.758 283 T HA 0.464 4.813 4.350 -0.002 0.000 0.285 283 T C -0.043 174.753 174.700 0.161 0.000 0.981 283 T CA -0.181 61.995 62.100 0.127 0.000 0.965 283 T CB 0.960 69.904 68.868 0.126 0.000 0.927 283 T HN 0.558 nan 8.240 nan 0.000 0.448 284 S N 3.216 119.011 115.700 0.159 0.000 2.457 284 S HA 0.437 4.906 4.470 -0.002 0.000 0.289 284 S C -0.044 174.726 174.600 0.283 0.000 1.163 284 S CA -0.775 57.546 58.200 0.202 0.000 1.078 284 S CB 0.221 63.482 63.200 0.101 0.000 0.987 284 S HN 0.426 nan 8.310 nan 0.000 0.482 285 I N 3.324 124.064 120.570 0.284 0.000 2.325 285 I HA 0.256 4.425 4.170 -0.002 0.000 0.291 285 I C 0.547 176.764 176.117 0.166 0.000 1.019 285 I CA -0.514 60.951 61.300 0.274 0.000 1.302 285 I CB 0.690 38.928 38.000 0.397 0.000 1.401 285 I HN 0.637 nan 8.210 nan 0.000 0.485 286 Q N 6.349 126.207 119.800 0.096 0.000 2.288 286 Q HA 0.522 4.861 4.340 -0.002 0.000 0.254 286 Q C -1.100 174.805 176.000 -0.158 0.000 0.932 286 Q CA -0.334 55.300 55.803 -0.283 0.000 0.902 286 Q CB 1.029 29.512 28.738 -0.425 0.000 1.203 286 Q HN 0.579 nan 8.270 nan 0.000 0.415 287 I N 4.223 124.689 120.570 -0.173 0.000 2.382 287 I HA 0.234 4.403 4.170 -0.002 0.000 0.286 287 I C 0.494 176.588 176.117 -0.039 0.000 1.002 287 I CA -0.517 60.767 61.300 -0.027 0.000 1.135 287 I CB 1.573 39.607 38.000 0.058 0.000 1.288 287 I HN 0.794 nan 8.210 nan 0.000 0.448 288 T N 3.316 117.809 114.554 -0.102 0.000 2.898 288 T HA 0.848 5.197 4.350 -0.002 0.000 0.283 288 T C 0.682 175.174 174.700 -0.347 0.000 1.059 288 T CA 0.266 62.248 62.100 -0.197 0.000 0.958 288 T CB 1.382 70.142 68.868 -0.179 0.000 1.594 288 T HN 0.983 nan 8.240 nan 0.000 0.598 289 A N 0.859 123.399 122.820 -0.466 0.000 6.204 289 A HA 0.007 4.326 4.320 -0.002 0.000 0.272 289 A C -2.256 174.731 177.584 -0.996 0.000 2.040 289 A CA 0.189 51.883 52.037 -0.571 0.000 0.717 289 A CB -2.841 15.956 19.000 -0.338 0.000 1.126 289 A HN 1.012 nan 8.150 nan 0.000 0.378 290 P HA 0.400 nan 4.420 nan 0.000 0.272 290 P C 0.887 177.971 177.300 -0.361 0.000 1.240 290 P CA 0.642 63.499 63.100 -0.405 0.000 0.791 290 P CB 0.704 32.248 31.700 -0.261 0.000 0.978 291 A N 2.039 124.720 122.820 -0.231 0.000 1.940 291 A HA -0.195 4.124 4.320 -0.002 0.000 0.219 291 A C 2.211 179.692 177.584 -0.171 0.000 1.176 291 A CA 2.448 54.373 52.037 -0.186 0.000 0.631 291 A CB -1.876 17.048 19.000 -0.126 0.000 0.814 291 A HN 0.678 nan 8.150 nan 0.000 0.446 292 S N -1.432 114.188 115.700 -0.133 0.000 2.469 292 S HA -0.089 4.380 4.470 -0.002 0.000 0.238 292 S C 1.693 176.223 174.600 -0.116 0.000 0.998 292 S CA 1.526 59.673 58.200 -0.088 0.000 0.957 292 S CB -0.269 62.954 63.200 0.037 0.000 0.764 292 S HN 0.406 nan 8.310 nan 0.000 0.514 293 M N 0.756 120.221 119.600 -0.225 0.000 2.557 293 M HA 0.373 4.852 4.480 -0.002 0.000 0.262 293 M C 2.019 178.073 176.300 -0.410 0.000 1.168 293 M CA 0.659 55.761 55.300 -0.330 0.000 1.194 293 M CB -1.207 31.041 32.600 -0.587 0.000 1.311 293 M HN 0.302 nan 8.290 nan 0.000 0.489 294 L N 1.254 122.210 121.223 -0.444 0.000 2.349 294 L HA -0.167 4.172 4.340 -0.002 0.000 0.220 294 L C 2.292 179.097 176.870 -0.107 0.000 1.130 294 L CA 0.692 55.368 54.840 -0.274 0.000 0.791 294 L CB -0.931 40.982 42.059 -0.244 0.000 0.918 294 L HN 0.332 nan 8.230 nan 0.000 0.444 295 I N -2.636 117.869 120.570 -0.110 0.000 2.700 295 I HA 0.032 4.201 4.170 -0.002 0.000 0.261 295 I C 1.100 177.198 176.117 -0.033 0.000 1.219 295 I CA 0.919 62.177 61.300 -0.069 0.000 1.463 295 I CB -0.532 37.418 38.000 -0.084 0.000 1.092 295 I HN 0.132 nan 8.210 nan 0.000 0.452 296 G N 0.023 108.825 108.800 0.003 0.000 2.650 296 G HA2 0.242 4.201 3.960 -0.002 0.000 0.310 296 G HA3 0.242 4.201 3.960 -0.002 0.000 0.310 296 G C -1.813 173.145 174.900 0.096 0.000 1.270 296 G CA -0.578 44.538 45.100 0.025 0.000 0.810 296 G HN 0.035 nan 8.290 nan 0.000 0.493 297 D N 1.363 121.766 120.400 0.005 0.000 2.455 297 D HA 0.419 5.058 4.640 -0.002 0.000 0.241 297 D C 0.385 176.622 176.300 -0.106 0.000 1.138 297 D CA 0.738 54.679 54.000 -0.097 0.000 0.877 297 D CB 0.432 41.143 40.800 -0.149 0.000 1.187 297 D HN 0.551 nan 8.370 nan 0.000 0.451 298 H N -0.731 118.200 119.070 -0.231 0.000 2.933 298 H HA 0.467 5.022 4.556 -0.002 0.000 0.310 298 H C -1.352 173.843 175.328 -0.221 0.000 1.351 298 H CA -0.791 55.124 56.048 -0.221 0.000 1.137 298 H CB 0.439 30.207 29.762 0.010 0.000 1.853 298 H HN 0.299 nan 8.280 nan 0.000 0.539 299 Y N -0.202 120.332 120.300 0.391 0.000 2.581 299 Y HA 0.421 4.970 4.550 -0.002 0.000 0.345 299 Y C -0.582 175.593 175.900 0.458 0.000 1.036 299 Y CA -1.138 57.188 58.100 0.376 0.000 1.042 299 Y CB 1.969 40.492 38.460 0.106 0.000 1.289 299 Y HN 0.509 nan 8.280 nan 0.000 0.471 300 L N 2.674 124.232 121.223 0.559 0.000 2.264 300 L HA 0.474 4.813 4.340 -0.002 0.000 0.289 300 L C 0.307 177.209 176.870 0.053 0.000 1.044 300 L CA -0.332 54.487 54.840 -0.036 0.000 0.807 300 L CB 0.578 42.553 42.059 -0.140 0.000 1.192 300 L HN 0.964 nan 8.230 nan 0.000 0.425 301 C N 1.269 120.468 119.300 -0.168 0.000 3.392 301 C HA 0.537 4.996 4.460 -0.002 0.000 0.301 301 C C 0.146 174.980 174.990 -0.259 0.000 1.354 301 C CA -0.392 58.461 59.018 -0.274 0.000 1.732 301 C CB -0.803 26.837 27.740 -0.167 0.000 2.269 301 C HN 0.860 nan 8.230 nan 0.000 0.673 302 D N 0.133 120.407 120.400 -0.211 0.000 2.745 302 D HA 0.361 5.000 4.640 -0.002 0.000 0.221 302 D C -1.810 174.222 176.300 -0.446 0.000 1.237 302 D CA 0.122 54.020 54.000 -0.169 0.000 0.781 302 D CB 2.550 43.243 40.800 -0.179 0.000 1.575 302 D HN 0.401 nan 8.370 nan 0.000 0.482 303 V N 1.236 120.812 119.914 -0.563 0.000 2.612 303 V HA 0.781 4.900 4.120 -0.002 0.000 0.301 303 V C -1.638 174.073 176.094 -0.638 0.000 1.059 303 V CA 0.034 61.797 62.300 -0.894 0.000 0.886 303 V CB 1.784 32.675 31.823 -1.554 0.000 1.007 303 V HN 0.578 nan 8.190 nan 0.000 0.426 304 T N 6.340 120.612 114.554 -0.470 0.000 3.011 304 T HA 0.419 4.768 4.350 -0.002 0.000 0.303 304 T C -1.008 173.564 174.700 -0.215 0.000 0.997 304 T CA -0.152 61.828 62.100 -0.201 0.000 1.007 304 T CB 0.932 69.760 68.868 -0.067 0.000 1.017 304 T HN 0.784 nan 8.240 nan 0.000 0.443 305 W N 2.120 123.370 121.300 -0.084 0.000 2.216 305 W HA 0.472 5.131 4.660 -0.002 0.000 0.326 305 W C 1.156 177.554 176.519 -0.202 0.000 1.319 305 W CA -0.270 57.016 57.345 -0.098 0.000 1.213 305 W CB 0.591 30.076 29.460 0.043 0.000 1.171 305 W HN 0.852 nan 8.180 nan 0.000 0.557 306 A N 1.986 124.686 122.820 -0.199 0.000 1.920 306 A HA 0.195 4.514 4.320 -0.002 0.000 0.209 306 A C 0.927 178.463 177.584 -0.079 0.000 1.229 306 A CA 1.571 53.238 52.037 -0.616 0.000 0.671 306 A CB -0.364 17.819 19.000 -1.362 0.000 0.886 306 A HN 0.544 nan 8.150 nan 0.000 0.461 307 T N -5.742 108.874 114.554 0.103 0.000 2.618 307 T HA 0.330 4.679 4.350 -0.002 0.000 0.293 307 T C 0.236 175.104 174.700 0.280 0.000 1.093 307 T CA -0.284 61.922 62.100 0.175 0.000 1.061 307 T CB 0.557 69.509 68.868 0.140 0.000 1.498 307 T HN -0.049 nan 8.240 nan 0.000 0.494 308 Q N 0.414 120.342 119.800 0.214 0.000 2.170 308 Q HA 0.036 4.375 4.340 -0.002 0.000 0.203 308 Q C 0.984 177.225 176.000 0.401 0.000 0.976 308 Q CA 1.572 57.505 55.803 0.216 0.000 0.858 308 Q CB -0.146 28.686 28.738 0.155 0.000 0.907 308 Q HN 0.813 nan 8.270 nan 0.000 0.433 309 E N -0.206 120.231 120.200 0.396 0.000 2.812 309 E HA 0.195 4.544 4.350 -0.002 0.000 0.211 309 E C -0.232 176.631 176.600 0.438 0.000 0.986 309 E CA -0.173 56.474 56.400 0.411 0.000 1.119 309 E CB 0.974 30.824 29.700 0.249 0.000 1.046 309 E HN -0.035 nan 8.360 nan 0.000 0.474 310 R N 1.597 122.395 120.500 0.497 0.000 2.538 310 R HA 0.505 4.844 4.340 -0.002 0.000 0.292 310 R C -1.717 174.632 176.300 0.082 0.000 1.008 310 R CA -0.451 55.820 56.100 0.284 0.000 0.896 310 R CB 1.315 31.662 30.300 0.078 0.000 1.187 310 R HN 0.084 nan 8.270 nan 0.000 0.440 311 I N 2.951 123.394 120.570 -0.210 0.000 2.646 311 I HA 0.450 4.619 4.170 -0.002 0.000 0.299 311 I C -0.862 174.944 176.117 -0.518 0.000 1.036 311 I CA -0.523 60.356 61.300 -0.701 0.000 1.074 311 I CB 2.264 39.383 38.000 -1.467 0.000 1.258 311 I HN 0.830 nan 8.210 nan 0.000 0.430 312 S N 7.214 122.599 115.700 -0.525 0.000 2.501 312 S HA 0.792 5.261 4.470 -0.002 0.000 0.301 312 S C -1.094 173.202 174.600 -0.508 0.000 1.096 312 S CA -0.713 57.261 58.200 -0.377 0.000 1.063 312 S CB 1.880 64.974 63.200 -0.176 0.000 1.042 312 S HN 0.416 nan 8.310 nan 0.000 0.494 313 L N 1.854 122.796 121.223 -0.470 0.000 2.408 313 L HA 0.557 4.896 4.340 -0.002 0.000 0.268 313 L C -0.374 176.206 176.870 -0.483 0.000 0.986 313 L CA -0.243 54.207 54.840 -0.651 0.000 0.820 313 L CB 1.980 43.578 42.059 -0.769 0.000 1.303 313 L HN 0.852 nan 8.230 nan 0.000 0.411 314 Q N 1.735 121.198 119.800 -0.562 0.000 2.333 314 Q HA 0.497 4.835 4.340 -0.002 0.000 0.267 314 Q C -1.691 174.057 176.000 -0.419 0.000 1.012 314 Q CA -0.468 55.132 55.803 -0.338 0.000 0.824 314 Q CB 2.166 30.761 28.738 -0.240 0.000 1.290 314 Q HN 0.500 nan 8.270 nan 0.000 0.449 315 W N 2.572 123.826 121.300 -0.076 0.000 2.689 315 W HA 0.630 5.288 4.660 -0.002 0.000 0.340 315 W C -0.922 175.627 176.519 0.051 0.000 1.060 315 W CA -0.664 56.687 57.345 0.009 0.000 1.218 315 W CB 1.100 30.547 29.460 -0.022 0.000 1.410 315 W HN 0.379 nan 8.180 nan 0.000 0.528 316 L N 2.710 124.161 121.223 0.379 0.000 2.410 316 L HA 0.569 4.907 4.340 -0.002 0.000 0.270 316 L C -0.051 177.007 176.870 0.313 0.000 0.983 316 L CA -1.097 53.925 54.840 0.303 0.000 0.822 316 L CB 1.296 43.514 42.059 0.265 0.000 1.285 316 L HN 0.413 nan 8.230 nan 0.000 0.409 317 R N 2.356 123.003 120.500 0.246 0.000 2.738 317 R HA 0.193 4.532 4.340 -0.002 0.000 0.268 317 R C 1.052 177.393 176.300 0.069 0.000 1.062 317 R CA -0.016 56.172 56.100 0.146 0.000 1.158 317 R CB 0.503 30.879 30.300 0.126 0.000 1.046 317 R HN 0.656 nan 8.270 nan 0.000 0.493 318 R N 1.251 121.700 120.500 -0.085 0.000 2.105 318 R HA -0.070 4.268 4.340 -0.002 0.000 0.239 318 R C 0.364 176.697 176.300 0.054 0.000 1.135 318 R CA 1.141 57.161 56.100 -0.133 0.000 0.967 318 R CB 0.185 30.376 30.300 -0.183 0.000 0.861 318 R HN 0.373 nan 8.270 nan 0.000 0.442 319 I N 3.005 123.600 120.570 0.041 0.000 2.278 319 I HA 0.009 4.177 4.170 -0.002 0.000 0.296 319 I C 0.172 176.343 176.117 0.089 0.000 1.121 319 I CA 0.347 61.678 61.300 0.052 0.000 1.267 319 I CB 0.849 38.867 38.000 0.029 0.000 1.447 319 I HN 0.283 nan 8.210 nan 0.000 0.509 320 Q N 3.847 123.703 119.800 0.094 0.000 2.271 320 Q HA -0.036 4.302 4.340 -0.002 0.000 0.206 320 Q C 0.876 176.952 176.000 0.126 0.000 0.860 320 Q CA 0.060 55.933 55.803 0.117 0.000 0.991 320 Q CB -0.098 28.674 28.738 0.057 0.000 1.232 320 Q HN 0.451 nan 8.270 nan 0.000 0.410 321 N N -0.412 118.364 118.700 0.127 0.000 2.356 321 N HA -0.011 4.728 4.740 -0.002 0.000 0.178 321 N C -1.064 174.561 175.510 0.191 0.000 1.075 321 N CA 0.431 53.552 53.050 0.119 0.000 0.889 321 N CB 0.564 39.108 38.487 0.095 0.000 0.999 321 N HN 0.301 nan 8.380 nan 0.000 0.464 322 Y N 0.366 120.690 120.300 0.040 0.000 2.396 322 Y HA 0.422 4.971 4.550 -0.002 0.000 0.332 322 Y C -0.923 175.013 175.900 0.059 0.000 1.034 322 Y CA -1.078 57.046 58.100 0.040 0.000 1.057 322 Y CB 1.209 39.684 38.460 0.025 0.000 1.220 322 Y HN -0.085 nan 8.280 nan 0.000 0.440 323 S N 4.089 119.690 115.700 -0.165 0.000 2.570 323 S HA 0.923 5.392 4.470 -0.002 0.000 0.286 323 S C -1.919 172.560 174.600 -0.202 0.000 1.099 323 S CA -0.765 57.395 58.200 -0.068 0.000 0.913 323 S CB 1.960 65.152 63.200 -0.014 0.000 1.085 323 S HN 0.491 nan 8.310 nan 0.000 0.480 324 V N 2.722 122.620 119.914 -0.027 0.000 2.686 324 V HA 0.527 4.646 4.120 -0.002 0.000 0.306 324 V C -0.565 175.564 176.094 0.058 0.000 1.065 324 V CA -0.631 61.658 62.300 -0.018 0.000 0.894 324 V CB 1.854 33.693 31.823 0.026 0.000 1.004 324 V HN 1.039 nan 8.190 nan 0.000 0.424 325 M N 3.713 123.319 119.600 0.010 0.000 2.238 325 M HA 0.562 5.040 4.480 -0.002 0.000 0.350 325 M C -1.410 174.909 176.300 0.031 0.000 1.138 325 M CA -0.228 55.059 55.300 -0.022 0.000 1.040 325 M CB 1.288 33.814 32.600 -0.124 0.000 1.639 325 M HN 0.600 nan 8.290 nan 0.000 0.451 326 D N 5.007 125.415 120.400 0.015 0.000 2.248 326 D HA 0.538 5.177 4.640 -0.002 0.000 0.246 326 D C -1.019 175.258 176.300 -0.038 0.000 1.027 326 D CA -0.084 53.926 54.000 0.016 0.000 0.853 326 D CB 2.021 42.849 40.800 0.047 0.000 1.243 326 D HN 0.609 nan 8.370 nan 0.000 0.462 327 I N 2.280 122.853 120.570 0.004 0.000 2.411 327 I HA 0.281 4.449 4.170 -0.002 0.000 0.284 327 I C -0.556 175.568 176.117 0.011 0.000 1.012 327 I CA -0.598 60.698 61.300 -0.006 0.000 1.119 327 I CB 1.220 39.274 38.000 0.089 0.000 1.261 327 I HN 0.154 nan 8.210 nan 0.000 0.448 328 c N 3.846 122.443 118.600 -0.005 0.000 2.382 328 c HA 0.541 5.110 4.570 -0.002 0.000 0.327 328 c C -0.189 174.055 174.090 0.257 0.000 1.250 328 c CA -0.696 55.700 56.329 0.112 0.000 1.707 328 c CB 0.969 43.544 42.510 0.108 0.000 2.272 328 c HN 0.578 nan 8.230 nan 0.000 0.506 329 D N 0.271 120.796 120.400 0.208 0.000 2.248 329 D HA 0.314 4.953 4.640 -0.002 0.000 0.246 329 D C -0.634 175.565 176.300 -0.169 0.000 1.027 329 D CA -0.227 53.834 54.000 0.101 0.000 0.853 329 D CB 0.838 41.651 40.800 0.021 0.000 1.243 329 D HN 0.576 nan 8.370 nan 0.000 0.462 330 Y N 1.747 121.585 120.300 -0.770 0.000 2.465 330 Y HA 0.155 4.703 4.550 -0.002 0.000 0.331 330 Y C -0.047 175.517 175.900 -0.560 0.000 1.102 330 Y CA -0.124 57.184 58.100 -1.320 0.000 1.358 330 Y CB 0.604 38.204 38.460 -1.434 0.000 1.213 330 Y HN 0.173 nan 8.280 nan 0.000 0.525 331 D N 5.616 125.357 120.400 -1.100 0.000 2.411 331 D HA 0.054 4.693 4.640 -0.002 0.000 0.225 331 D C 0.904 176.622 176.300 -0.970 0.000 1.156 331 D CA -0.012 53.545 54.000 -0.739 0.000 0.874 331 D CB 0.895 41.436 40.800 -0.431 0.000 1.034 331 D HN 0.863 nan 8.370 nan 0.000 0.502 332 E N 1.782 121.585 120.200 -0.662 0.000 2.068 332 E HA -0.221 4.128 4.350 -0.002 0.000 0.207 332 E C 1.272 177.741 176.600 -0.218 0.000 1.032 332 E CA 1.828 58.021 56.400 -0.345 0.000 0.839 332 E CB 0.044 29.688 29.700 -0.093 0.000 0.758 332 E HN 0.301 nan 8.360 nan 0.000 0.457 333 S N -0.978 114.622 115.700 -0.168 0.000 2.603 333 S HA 0.082 4.550 4.470 -0.002 0.000 0.220 333 S C 1.520 176.060 174.600 -0.100 0.000 0.967 333 S CA 0.543 58.686 58.200 -0.095 0.000 0.920 333 S CB 0.205 63.367 63.200 -0.065 0.000 0.773 333 S HN 0.151 nan 8.310 nan 0.000 0.529 334 S N -0.242 115.355 115.700 -0.172 0.000 2.514 334 S HA 0.367 4.836 4.470 -0.002 0.000 0.223 334 S C 1.735 176.273 174.600 -0.103 0.000 1.046 334 S CA 0.473 58.596 58.200 -0.127 0.000 0.914 334 S CB 0.450 63.562 63.200 -0.146 0.000 0.807 334 S HN 0.618 nan 8.310 nan 0.000 0.497 335 G N 2.115 110.794 108.800 -0.202 0.000 2.234 335 G HA2 -0.315 3.644 3.960 -0.002 0.000 0.260 335 G HA3 -0.315 3.644 3.960 -0.002 0.000 0.260 335 G C 0.166 175.102 174.900 0.060 0.000 0.987 335 G CA 0.550 45.651 45.100 0.003 0.000 0.625 335 G HN 0.573 nan 8.290 nan 0.000 0.532 336 R N -1.215 119.234 120.500 -0.084 0.000 2.606 336 R HA 0.747 5.085 4.340 -0.002 0.000 0.249 336 R C -0.734 175.495 176.300 -0.118 0.000 1.127 336 R CA -0.883 55.246 56.100 0.048 0.000 1.133 336 R CB 0.432 30.770 30.300 0.064 0.000 1.243 336 R HN 0.182 nan 8.270 nan 0.000 0.558 337 W N -0.192 121.115 121.300 0.012 0.000 2.587 337 W HA 0.454 5.113 4.660 -0.002 0.000 0.324 337 W C -0.831 175.667 176.519 -0.034 0.000 1.040 337 W CA -0.446 56.896 57.345 -0.006 0.000 1.222 337 W CB 1.406 30.867 29.460 0.001 0.000 1.381 337 W HN 0.513 nan 8.180 nan 0.000 0.483 338 N N 1.889 120.661 118.700 0.121 0.000 2.342 338 N HA 0.533 5.272 4.740 -0.002 0.000 0.293 338 N C -1.526 174.027 175.510 0.071 0.000 1.026 338 N CA -0.604 52.482 53.050 0.061 0.000 0.857 338 N CB 1.216 39.699 38.487 -0.006 0.000 1.256 338 N HN 0.189 nan 8.380 nan 0.000 0.484 339 c N 2.931 121.558 118.600 0.045 0.000 2.250 339 c HA 0.365 4.934 4.570 -0.002 0.000 0.319 339 c C 0.408 174.502 174.090 0.007 0.000 1.124 339 c CA -1.099 55.248 56.329 0.030 0.000 1.527 339 c CB -1.346 41.172 42.510 0.013 0.000 2.001 339 c HN 0.606 nan 8.230 nan 0.000 0.435 340 L N 2.914 124.143 121.223 0.010 0.000 2.499 340 L HA 0.153 4.492 4.340 -0.002 0.000 0.273 340 L C 0.822 177.685 176.870 -0.013 0.000 1.195 340 L CA 0.346 55.185 54.840 -0.002 0.000 0.882 340 L CB 0.330 42.392 42.059 0.004 0.000 1.133 340 L HN 0.509 nan 8.230 nan 0.000 0.483 341 V N 4.954 124.852 119.914 -0.027 0.000 3.376 341 V HA 0.315 4.434 4.120 -0.002 0.000 0.303 341 V C 1.197 177.263 176.094 -0.046 0.000 1.100 341 V CA 0.823 63.099 62.300 -0.041 0.000 1.126 341 V CB 1.196 32.993 31.823 -0.043 0.000 1.085 341 V HN 1.115 nan 8.190 nan 0.000 0.480 342 A N 2.830 125.605 122.820 -0.074 0.000 4.018 342 A HA -0.276 4.043 4.320 -0.002 0.000 0.252 342 A C 1.735 179.258 177.584 -0.101 0.000 0.872 342 A CA 1.792 53.779 52.037 -0.084 0.000 1.417 342 A CB -1.778 17.194 19.000 -0.047 0.000 1.002 342 A HN 0.982 nan 8.150 nan 0.000 0.777 343 R N 0.380 120.843 120.500 -0.062 0.000 2.397 343 R HA 0.167 4.506 4.340 -0.002 0.000 0.241 343 R C 0.650 176.951 176.300 0.001 0.000 0.914 343 R CA 0.761 56.869 56.100 0.014 0.000 1.071 343 R CB 0.095 30.436 30.300 0.068 0.000 1.116 343 R HN 0.851 nan 8.270 nan 0.000 0.524 344 Q N -0.272 119.458 119.800 -0.117 0.000 2.222 344 Q HA 0.272 4.611 4.340 -0.002 0.000 0.252 344 Q C -1.308 174.525 176.000 -0.278 0.000 0.926 344 Q CA -0.685 55.080 55.803 -0.063 0.000 0.899 344 Q CB 1.513 30.230 28.738 -0.035 0.000 1.250 344 Q HN 0.130 nan 8.270 nan 0.000 0.441 345 H N 0.901 119.960 119.070 -0.018 0.000 2.538 345 H HA 0.494 5.048 4.556 -0.002 0.000 0.353 345 H C -0.846 174.439 175.328 -0.071 0.000 1.109 345 H CA -0.643 55.397 56.048 -0.013 0.000 1.192 345 H CB 1.455 31.212 29.762 -0.007 0.000 1.555 345 H HN 0.560 nan 8.280 nan 0.000 0.518 346 I N 1.807 122.379 120.570 0.004 0.000 2.385 346 I HA 0.230 4.399 4.170 -0.002 0.000 0.294 346 I C 0.061 176.112 176.117 -0.111 0.000 0.988 346 I CA -0.189 61.019 61.300 -0.153 0.000 1.265 346 I CB 1.211 39.088 38.000 -0.204 0.000 1.388 346 I HN 0.562 nan 8.210 nan 0.000 0.480 347 E N 8.189 128.272 120.200 -0.195 0.000 2.244 347 E HA 0.541 4.890 4.350 -0.002 0.000 0.260 347 E C -1.235 175.279 176.600 -0.143 0.000 0.884 347 E CA -0.659 55.683 56.400 -0.096 0.000 0.777 347 E CB 1.348 31.022 29.700 -0.044 0.000 1.197 347 E HN 0.607 nan 8.360 nan 0.000 0.416 348 M N 1.094 120.650 119.600 -0.073 0.000 2.667 348 M HA 0.662 5.141 4.480 -0.002 0.000 0.286 348 M C -0.960 175.351 176.300 0.017 0.000 1.270 348 M CA -0.987 54.305 55.300 -0.012 0.000 0.826 348 M CB 2.295 34.932 32.600 0.062 0.000 1.743 348 M HN 0.222 nan 8.290 nan 0.000 0.460 349 S N -0.665 115.050 115.700 0.025 0.000 2.547 349 S HA 0.583 5.052 4.470 -0.002 0.000 0.281 349 S C 0.191 174.787 174.600 -0.007 0.000 1.118 349 S CA -0.021 58.175 58.200 -0.005 0.000 0.947 349 S CB 1.824 64.990 63.200 -0.057 0.000 1.053 349 S HN 0.909 nan 8.310 nan 0.000 0.482 350 T N -0.194 114.356 114.554 -0.007 0.000 3.037 350 T HA 0.066 4.415 4.350 -0.002 0.000 0.251 350 T C 1.542 176.226 174.700 -0.028 0.000 1.079 350 T CA 0.896 62.992 62.100 -0.007 0.000 1.067 350 T CB -0.387 68.484 68.868 0.005 0.000 0.948 350 T HN 0.690 nan 8.240 nan 0.000 0.496 351 T N -1.820 112.710 114.554 -0.039 0.000 3.037 351 T HA 0.598 4.947 4.350 -0.002 0.000 0.251 351 T C 1.113 175.658 174.700 -0.258 0.000 1.079 351 T CA 0.400 62.477 62.100 -0.038 0.000 1.067 351 T CB 0.332 69.255 68.868 0.091 0.000 0.948 351 T HN 0.625 nan 8.240 nan 0.000 0.496 352 G N 0.370 108.870 108.800 -0.501 0.000 2.562 352 G HA2 0.458 4.417 3.960 -0.002 0.000 0.190 352 G HA3 0.458 4.417 3.960 -0.002 0.000 0.190 352 G C -1.637 172.987 174.900 -0.461 0.000 1.196 352 G CA -0.573 44.018 45.100 -0.848 0.000 0.986 352 G HN 0.492 nan 8.290 nan 0.000 0.512 353 W N 0.029 121.067 121.300 -0.437 0.000 2.260 353 W HA 0.737 5.396 4.660 -0.002 0.000 0.366 353 W C -0.324 176.142 176.519 -0.087 0.000 1.315 353 W CA -1.252 55.965 57.345 -0.213 0.000 1.458 353 W CB 0.613 29.918 29.460 -0.258 0.000 1.255 353 W HN 0.265 nan 8.180 nan 0.000 0.671 354 V N 3.142 123.131 119.914 0.125 0.000 2.407 354 V HA 0.686 4.805 4.120 -0.002 0.000 0.278 354 V C 0.789 176.961 176.094 0.130 0.000 1.037 354 V CA 0.346 62.680 62.300 0.056 0.000 0.900 354 V CB -0.038 31.819 31.823 0.057 0.000 0.983 354 V HN 1.292 nan 8.190 nan 0.000 0.459 355 G N 5.172 114.003 108.800 0.051 0.000 2.795 355 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.664 355 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.664 355 G C 0.353 175.348 174.900 0.157 0.000 1.381 355 G CA 0.142 45.299 45.100 0.096 0.000 0.853 355 G HN 0.631 nan 8.290 nan 0.000 0.545 356 R N -0.733 119.850 120.500 0.138 0.000 2.061 356 R HA 0.084 4.423 4.340 -0.002 0.000 0.230 356 R C 2.034 178.329 176.300 -0.009 0.000 1.140 356 R CA 2.245 58.385 56.100 0.067 0.000 0.940 356 R CB -0.125 30.217 30.300 0.071 0.000 0.839 356 R HN 0.484 nan 8.270 nan 0.000 0.429 357 F N -0.971 119.117 119.950 0.230 0.000 2.789 357 F HA 0.244 4.770 4.527 -0.002 0.000 0.320 357 F C 0.356 176.180 175.800 0.039 0.000 1.079 357 F CA -0.456 57.619 58.000 0.124 0.000 1.205 357 F CB 0.742 39.809 39.000 0.111 0.000 1.046 357 F HN -0.075 nan 8.300 nan 0.000 0.586 358 R N -1.473 119.162 120.500 0.226 0.000 2.765 358 R HA 0.423 4.761 4.340 -0.002 0.000 0.277 358 R C -3.337 173.020 176.300 0.095 0.000 1.028 358 R CA -1.873 54.287 56.100 0.100 0.000 0.860 358 R CB 0.074 30.378 30.300 0.006 0.000 1.270 358 R HN -0.372 nan 8.270 nan 0.000 0.484 359 P HA -0.024 nan 4.420 nan 0.000 0.265 359 P C -0.408 176.907 177.300 0.026 0.000 1.187 359 P CA 0.169 63.284 63.100 0.024 0.000 0.766 359 P CB 0.655 32.344 31.700 -0.019 0.000 0.820 360 S N 1.620 117.346 115.700 0.042 0.000 2.600 360 S HA 0.163 4.632 4.470 -0.002 0.000 0.265 360 S C 0.125 174.732 174.600 0.012 0.000 1.325 360 S CA -0.744 57.495 58.200 0.065 0.000 1.002 360 S CB 0.516 63.778 63.200 0.103 0.000 0.921 360 S HN 0.553 nan 8.310 nan 0.000 0.554 361 E N 1.502 121.723 120.200 0.034 0.000 2.301 361 E HA 0.363 4.712 4.350 -0.002 0.000 0.275 361 E C -2.731 173.822 176.600 -0.077 0.000 1.030 361 E CA -2.072 54.297 56.400 -0.052 0.000 0.852 361 E CB 0.698 30.371 29.700 -0.045 0.000 1.060 361 E HN 0.446 nan 8.360 nan 0.000 0.401 362 P HA 0.218 nan 4.420 nan 0.000 0.279 362 P C -0.808 176.330 177.300 -0.269 0.000 1.252 362 P CA -0.332 62.589 63.100 -0.300 0.000 0.811 362 P CB 0.844 32.002 31.700 -0.903 0.000 1.035 363 H N 1.543 120.602 119.070 -0.018 0.000 2.762 363 H HA 0.292 4.847 4.556 -0.002 0.000 0.310 363 H C -0.359 175.087 175.328 0.196 0.000 1.004 363 H CA -0.319 55.822 56.048 0.155 0.000 1.267 363 H CB 0.257 30.135 29.762 0.194 0.000 1.437 363 H HN 0.296 nan 8.280 nan 0.000 0.498 364 F N 1.878 122.007 119.950 0.299 0.000 2.389 364 F HA 0.066 4.592 4.527 -0.002 0.000 0.337 364 F C 1.650 177.641 175.800 0.320 0.000 1.112 364 F CA -0.446 57.745 58.000 0.318 0.000 1.192 364 F CB 0.921 40.044 39.000 0.206 0.000 1.185 364 F HN 0.360 nan 8.300 nan 0.000 0.552 365 T N 0.504 115.364 114.554 0.509 0.000 2.766 365 T HA 0.097 4.446 4.350 -0.002 0.000 0.295 365 T C 1.177 176.071 174.700 0.324 0.000 1.024 365 T CA -0.780 61.556 62.100 0.393 0.000 1.018 365 T CB 0.687 69.772 68.868 0.362 0.000 1.002 365 T HN 0.611 nan 8.240 nan 0.000 0.532 366 L N 1.285 122.653 121.223 0.242 0.000 2.021 366 L HA -0.161 4.178 4.340 -0.002 0.000 0.215 366 L C 1.993 178.972 176.870 0.182 0.000 1.074 366 L CA 2.636 57.591 54.840 0.192 0.000 0.760 366 L CB -1.098 41.050 42.059 0.148 0.000 0.889 366 L HN 0.946 nan 8.230 nan 0.000 0.433 367 D N -1.388 119.121 120.400 0.182 0.000 2.363 367 D HA 0.100 4.739 4.640 -0.002 0.000 0.226 367 D C 1.632 178.040 176.300 0.179 0.000 1.020 367 D CA 0.716 54.811 54.000 0.159 0.000 0.892 367 D CB -0.605 40.279 40.800 0.139 0.000 0.900 367 D HN 0.481 nan 8.370 nan 0.000 0.531 368 G N 0.456 109.403 108.800 0.245 0.000 2.166 368 G HA2 -0.414 3.545 3.960 -0.002 0.000 0.260 368 G HA3 -0.414 3.545 3.960 -0.002 0.000 0.260 368 G C 0.686 175.789 174.900 0.337 0.000 0.986 368 G CA 0.521 45.789 45.100 0.281 0.000 0.683 368 G HN 0.525 nan 8.290 nan 0.000 0.527 369 N N -0.208 118.661 118.700 0.281 0.000 2.336 369 N HA 0.308 5.047 4.740 -0.002 0.000 0.189 369 N C 0.645 176.272 175.510 0.195 0.000 1.113 369 N CA 0.527 53.710 53.050 0.221 0.000 0.858 369 N CB 0.307 38.880 38.487 0.144 0.000 0.970 369 N HN 0.632 nan 8.380 nan 0.000 0.471 370 S N -0.078 115.771 115.700 0.248 0.000 2.596 370 S HA 0.688 5.157 4.470 -0.002 0.000 0.270 370 S C -1.237 173.433 174.600 0.116 0.000 1.155 370 S CA -1.065 57.147 58.200 0.021 0.000 0.827 370 S CB 1.444 64.599 63.200 -0.074 0.000 1.130 370 S HN 0.172 nan 8.310 nan 0.000 0.467 371 F N -1.770 118.030 119.950 -0.249 0.000 2.668 371 F HA 0.835 5.361 4.527 -0.002 0.000 0.309 371 F C -2.206 173.445 175.800 -0.248 0.000 1.117 371 F CA -1.508 56.291 58.000 -0.335 0.000 0.951 371 F CB 0.543 38.919 39.000 -1.040 0.000 1.323 371 F HN 0.608 nan 8.300 nan 0.000 0.451 372 Y N 1.184 121.637 120.300 0.255 0.000 2.446 372 Y HA 0.721 5.270 4.550 -0.002 0.000 0.338 372 Y C -0.469 175.599 175.900 0.280 0.000 1.055 372 Y CA -0.881 57.360 58.100 0.235 0.000 1.101 372 Y CB 2.219 40.763 38.460 0.140 0.000 1.221 372 Y HN 0.750 nan 8.280 nan 0.000 0.460 373 K N 0.776 121.410 120.400 0.389 0.000 2.578 373 K HA 0.592 4.911 4.320 -0.002 0.000 0.269 373 K C -2.004 174.735 176.600 0.233 0.000 0.941 373 K CA -0.685 55.776 56.287 0.291 0.000 0.847 373 K CB 1.280 33.895 32.500 0.192 0.000 1.397 373 K HN 0.581 nan 8.250 nan 0.000 0.422 374 I N 4.001 124.680 120.570 0.180 0.000 2.396 374 I HA 0.338 4.507 4.170 -0.002 0.000 0.289 374 I C 0.094 176.300 176.117 0.148 0.000 1.056 374 I CA -0.540 60.848 61.300 0.146 0.000 1.365 374 I CB 0.217 38.283 38.000 0.110 0.000 1.407 374 I HN 0.626 nan 8.210 nan 0.000 0.509 375 I N 1.929 122.615 120.570 0.194 0.000 3.074 375 I HA 0.497 4.666 4.170 -0.002 0.000 0.310 375 I C -0.262 175.976 176.117 0.202 0.000 1.153 375 I CA -0.820 60.591 61.300 0.185 0.000 0.993 375 I CB 2.126 40.251 38.000 0.209 0.000 1.237 375 I HN 0.343 nan 8.210 nan 0.000 0.443 376 S N 2.499 118.260 115.700 0.102 0.000 2.531 376 S HA 0.239 4.708 4.470 -0.002 0.000 0.279 376 S C 0.154 174.791 174.600 0.062 0.000 1.305 376 S CA -0.260 57.944 58.200 0.007 0.000 1.058 376 S CB -0.103 63.042 63.200 -0.092 0.000 0.899 376 S HN 0.672 nan 8.310 nan 0.000 0.493 377 N N 2.100 120.734 118.700 -0.110 0.000 2.263 377 N HA 0.051 4.790 4.740 -0.002 0.000 0.239 377 N C 1.011 176.440 175.510 -0.136 0.000 1.317 377 N CA -0.091 52.773 53.050 -0.311 0.000 0.909 377 N CB 0.315 38.594 38.487 -0.347 0.000 1.171 377 N HN 0.770 nan 8.380 nan 0.000 0.492 378 E N 0.283 120.394 120.200 -0.148 0.000 2.358 378 E HA -0.093 4.256 4.350 -0.002 0.000 0.195 378 E C 0.939 177.496 176.600 -0.073 0.000 1.010 378 E CA 0.978 57.337 56.400 -0.067 0.000 0.856 378 E CB 0.044 29.713 29.700 -0.051 0.000 0.795 378 E HN 0.651 nan 8.360 nan 0.000 0.504 379 E N -1.361 118.790 120.200 -0.082 0.000 2.479 379 E HA 0.077 4.426 4.350 -0.002 0.000 0.193 379 E C 0.744 177.323 176.600 -0.034 0.000 1.049 379 E CA 0.597 56.991 56.400 -0.010 0.000 0.870 379 E CB 0.047 29.776 29.700 0.047 0.000 0.944 379 E HN 0.285 nan 8.360 nan 0.000 0.492 380 G N 0.298 109.021 108.800 -0.129 0.000 2.157 380 G HA2 -0.276 3.682 3.960 -0.002 0.000 0.239 380 G HA3 -0.276 3.682 3.960 -0.002 0.000 0.239 380 G C -0.459 174.171 174.900 -0.450 0.000 0.982 380 G CA 0.279 45.201 45.100 -0.297 0.000 0.650 380 G HN 0.248 nan 8.290 nan 0.000 0.527 381 Y N 0.501 120.657 120.300 -0.241 0.000 2.342 381 Y HA 0.634 5.183 4.550 -0.002 0.000 0.334 381 Y C 1.188 176.890 175.900 -0.330 0.000 1.067 381 Y CA -0.840 57.089 58.100 -0.286 0.000 1.128 381 Y CB 0.981 39.278 38.460 -0.272 0.000 1.200 381 Y HN 0.073 nan 8.280 nan 0.000 0.464 382 R N 3.817 124.156 120.500 -0.267 0.000 2.296 382 R HA 0.241 4.580 4.340 -0.002 0.000 0.323 382 R C -0.729 175.282 176.300 -0.482 0.000 1.067 382 R CA -0.009 55.948 56.100 -0.239 0.000 0.946 382 R CB 0.042 30.254 30.300 -0.146 0.000 0.991 382 R HN 0.651 nan 8.270 nan 0.000 0.448 383 H N 1.702 120.727 119.070 -0.076 0.000 2.907 383 H HA 0.340 4.895 4.556 -0.002 0.000 0.361 383 H C -0.068 175.325 175.328 0.107 0.000 1.194 383 H CA -0.982 54.999 56.048 -0.111 0.000 1.152 383 H CB 1.614 31.193 29.762 -0.305 0.000 1.867 383 H HN 0.317 nan 8.280 nan 0.000 0.561 384 I N 1.361 122.019 120.570 0.146 0.000 2.396 384 I HA 0.023 4.192 4.170 -0.002 0.000 0.289 384 I C 0.425 176.605 176.117 0.105 0.000 1.056 384 I CA 0.181 61.538 61.300 0.096 0.000 1.365 384 I CB 0.278 38.245 38.000 -0.056 0.000 1.407 384 I HN 0.143 nan 8.210 nan 0.000 0.509 385 c N 7.225 125.825 118.600 -0.001 0.000 2.435 385 c HA 0.440 5.009 4.570 -0.002 0.000 0.333 385 c C -0.422 173.559 174.090 -0.182 0.000 1.202 385 c CA -0.464 55.642 56.329 -0.370 0.000 1.830 385 c CB 1.029 43.038 42.510 -0.836 0.000 2.326 385 c HN 0.637 nan 8.230 nan 0.000 0.507 386 Y N 4.485 124.465 120.300 -0.534 0.000 2.331 386 Y HA 0.675 5.224 4.550 -0.002 0.000 0.338 386 Y C -1.107 174.350 175.900 -0.738 0.000 0.976 386 Y CA -1.058 56.679 58.100 -0.605 0.000 1.137 386 Y CB 0.228 38.411 38.460 -0.460 0.000 1.172 386 Y HN 0.598 nan 8.280 nan 0.000 0.478 387 F N 3.370 122.612 119.950 -1.180 0.000 2.492 387 F HA 0.497 5.023 4.527 -0.002 0.000 0.327 387 F C -0.176 174.898 175.800 -1.210 0.000 1.079 387 F CA -0.967 56.279 58.000 -1.256 0.000 0.967 387 F CB 1.606 39.513 39.000 -1.823 0.000 1.169 387 F HN 0.294 nan 8.300 nan 0.000 0.472 388 Q N 1.908 121.381 119.800 -0.544 0.000 2.290 388 Q HA 0.367 4.706 4.340 -0.002 0.000 0.259 388 Q C 1.045 177.009 176.000 -0.060 0.000 0.941 388 Q CA -0.245 55.366 55.803 -0.321 0.000 0.912 388 Q CB 1.366 29.969 28.738 -0.225 0.000 1.244 388 Q HN 0.686 nan 8.270 nan 0.000 0.441 389 I N -0.435 120.185 120.570 0.084 0.000 2.399 389 I HA -0.193 3.975 4.170 -0.002 0.000 0.254 389 I C 0.456 176.777 176.117 0.340 0.000 1.146 389 I CA 1.598 63.105 61.300 0.346 0.000 1.412 389 I CB -0.045 38.178 38.000 0.373 0.000 1.076 389 I HN 0.454 nan 8.210 nan 0.000 0.432 390 D N 0.238 120.736 120.400 0.164 0.000 2.501 390 D HA 0.238 4.877 4.640 -0.002 0.000 0.226 390 D C -0.062 176.256 176.300 0.030 0.000 1.198 390 D CA -0.309 53.741 54.000 0.082 0.000 0.830 390 D CB 0.115 40.945 40.800 0.050 0.000 1.014 390 D HN 0.289 nan 8.370 nan 0.000 0.496 391 K N 0.273 120.711 120.400 0.064 0.000 2.397 391 K HA 0.283 4.602 4.320 -0.002 0.000 0.253 391 K C 0.799 177.430 176.600 0.051 0.000 0.932 391 K CA -0.710 55.581 56.287 0.006 0.000 0.795 391 K CB 2.027 34.497 32.500 -0.051 0.000 1.159 391 K HN -0.175 nan 8.250 nan 0.000 0.424 392 K N 0.241 120.633 120.400 -0.013 0.000 2.097 392 K HA 0.012 4.330 4.320 -0.002 0.000 0.205 392 K C -0.081 176.535 176.600 0.025 0.000 1.050 392 K CA 1.207 57.501 56.287 0.012 0.000 0.938 392 K CB 0.064 32.543 32.500 -0.036 0.000 0.718 392 K HN 0.319 nan 8.250 nan 0.000 0.442 393 D N 1.010 121.364 120.400 -0.077 0.000 2.264 393 D HA 0.132 4.771 4.640 -0.002 0.000 0.250 393 D C -0.079 175.998 176.300 -0.372 0.000 1.113 393 D CA -0.464 53.429 54.000 -0.179 0.000 0.871 393 D CB 1.232 41.946 40.800 -0.143 0.000 1.167 393 D HN 0.452 nan 8.370 nan 0.000 0.447 394 c N 0.518 118.729 118.600 -0.648 0.000 2.407 394 c HA 0.813 5.382 4.570 -0.002 0.000 0.366 394 c C 0.232 173.904 174.090 -0.696 0.000 1.213 394 c CA -0.592 55.114 56.329 -1.039 0.000 2.011 394 c CB 1.126 42.293 42.510 -2.238 0.000 2.306 394 c HN 0.465 nan 8.230 nan 0.000 0.527 395 T N 1.951 116.155 114.554 -0.582 0.000 2.786 395 T HA 0.470 4.819 4.350 -0.002 0.000 0.283 395 T C -0.685 173.827 174.700 -0.312 0.000 0.992 395 T CA 0.144 62.063 62.100 -0.301 0.000 0.954 395 T CB 0.301 69.142 68.868 -0.044 0.000 0.934 395 T HN 0.483 nan 8.240 nan 0.000 0.440 396 F N 3.389 123.235 119.950 -0.172 0.000 2.538 396 F HA 0.231 4.757 4.527 -0.002 0.000 0.371 396 F C 1.663 177.313 175.800 -0.252 0.000 1.087 396 F CA -0.789 57.096 58.000 -0.192 0.000 1.250 396 F CB 0.396 39.285 39.000 -0.185 0.000 1.110 396 F HN 0.578 nan 8.300 nan 0.000 0.570 397 I N -0.765 119.694 120.570 -0.186 0.000 3.941 397 I HA 0.209 4.378 4.170 -0.002 0.000 0.321 397 I C 0.316 176.249 176.117 -0.307 0.000 1.284 397 I CA 0.147 61.098 61.300 -0.582 0.000 1.226 397 I CB 0.082 37.452 38.000 -1.050 0.000 1.045 397 I HN 0.490 nan 8.210 nan 0.000 0.420 398 T N 0.360 114.797 114.554 -0.194 0.000 2.916 398 T HA 0.716 5.065 4.350 -0.002 0.000 0.292 398 T C -0.664 173.648 174.700 -0.646 0.000 1.055 398 T CA -0.681 61.281 62.100 -0.231 0.000 1.009 398 T CB 2.670 71.475 68.868 -0.105 0.000 1.118 398 T HN 0.501 nan 8.240 nan 0.000 0.497 399 K N -0.237 119.613 120.400 -0.918 0.000 2.607 399 K HA 0.783 5.102 4.320 -0.002 0.000 0.287 399 K C -0.467 175.479 176.600 -1.091 0.000 0.996 399 K CA -0.902 54.553 56.287 -1.385 0.000 0.876 399 K CB 1.341 33.439 32.500 -0.669 0.000 1.496 399 K HN 1.582 nan 8.250 nan 0.000 0.415 400 G N -0.071 108.144 108.800 -0.974 0.000 2.347 400 G HA2 0.082 4.041 3.960 -0.002 0.000 0.477 400 G HA3 0.082 4.041 3.960 -0.002 0.000 0.477 400 G C -0.747 173.625 174.900 -0.879 0.000 1.349 400 G CA -0.389 44.320 45.100 -0.652 0.000 1.000 400 G HN 1.007 nan 8.290 nan 0.000 0.605 401 T N -0.402 113.774 114.554 -0.630 0.000 4.058 401 T HA 0.560 4.909 4.350 -0.002 0.000 0.252 401 T C 0.217 174.734 174.700 -0.305 0.000 1.264 401 T CA 0.520 62.045 62.100 -0.958 0.000 1.094 401 T CB -0.931 67.639 68.868 -0.497 0.000 1.316 401 T HN 1.494 nan 8.240 nan 0.000 0.872 402 W N -0.347 120.804 121.300 -0.248 0.000 2.937 402 W HA 0.638 5.296 4.660 -0.002 0.000 0.360 402 W C -1.476 175.037 176.519 -0.011 0.000 1.215 402 W CA -0.975 56.361 57.345 -0.014 0.000 1.183 402 W CB 0.628 30.065 29.460 -0.039 0.000 1.458 402 W HN 0.181 nan 8.180 nan 0.000 0.574 403 E N 0.657 121.011 120.200 0.258 0.000 2.343 403 E HA 0.463 4.812 4.350 -0.002 0.000 0.270 403 E C -1.248 175.447 176.600 0.158 0.000 0.895 403 E CA -1.190 55.165 56.400 -0.076 0.000 0.767 403 E CB 3.358 33.058 29.700 0.001 0.000 1.248 403 E HN 0.154 nan 8.360 nan 0.000 0.440 404 V N 3.585 123.467 119.914 -0.054 0.000 2.432 404 V HA 0.015 4.133 4.120 -0.002 0.000 0.271 404 V C 1.203 177.376 176.094 0.131 0.000 1.046 404 V CA -0.073 62.292 62.300 0.108 0.000 0.945 404 V CB 0.589 32.375 31.823 -0.062 0.000 0.992 404 V HN 0.681 nan 8.190 nan 0.000 0.471 405 I N 3.380 124.059 120.570 0.182 0.000 2.277 405 I HA 0.202 4.371 4.170 -0.002 0.000 0.243 405 I C 1.149 177.378 176.117 0.187 0.000 1.094 405 I CA 1.278 62.684 61.300 0.177 0.000 1.393 405 I CB -0.871 37.174 38.000 0.075 0.000 1.078 405 I HN 0.745 nan 8.210 nan 0.000 0.417 406 G N 0.393 109.304 108.800 0.184 0.000 2.632 406 G HA2 0.541 4.500 3.960 -0.002 0.000 0.292 406 G HA3 0.541 4.500 3.960 -0.002 0.000 0.292 406 G C -1.267 173.728 174.900 0.158 0.000 1.465 406 G CA -0.580 44.625 45.100 0.176 0.000 0.824 406 G HN -0.032 nan 8.290 nan 0.000 0.509 407 I N 1.597 122.205 120.570 0.062 0.000 2.325 407 I HA 0.240 4.409 4.170 -0.002 0.000 0.291 407 I C 0.694 176.756 176.117 -0.091 0.000 1.019 407 I CA -0.541 60.690 61.300 -0.114 0.000 1.302 407 I CB 1.708 39.387 38.000 -0.535 0.000 1.401 407 I HN 0.504 nan 8.210 nan 0.000 0.485 408 E N 4.988 125.193 120.200 0.009 0.000 2.307 408 E HA 0.315 4.664 4.350 -0.002 0.000 0.195 408 E C 0.203 176.744 176.600 -0.098 0.000 0.975 408 E CA 0.216 56.660 56.400 0.074 0.000 0.878 408 E CB 0.818 30.658 29.700 0.233 0.000 0.845 408 E HN 0.687 nan 8.360 nan 0.000 0.488 409 A N 0.580 123.250 122.820 -0.249 0.000 2.605 409 A HA 0.592 4.911 4.320 -0.002 0.000 0.294 409 A C -2.019 175.475 177.584 -0.150 0.000 1.062 409 A CA -0.661 51.150 52.037 -0.376 0.000 0.682 409 A CB 1.243 19.500 19.000 -1.237 0.000 1.278 409 A HN 0.039 nan 8.150 nan 0.000 0.410 410 L N 1.397 122.578 121.223 -0.070 0.000 2.439 410 L HA 0.799 5.137 4.340 -0.002 0.000 0.270 410 L C 0.099 176.994 176.870 0.042 0.000 0.972 410 L CA 0.448 55.286 54.840 -0.004 0.000 0.836 410 L CB 2.058 44.143 42.059 0.043 0.000 1.255 410 L HN 1.188 nan 8.230 nan 0.000 0.404 411 T N -0.248 114.350 114.554 0.073 0.000 2.927 411 T HA 0.436 4.785 4.350 -0.002 0.000 0.286 411 T C 0.995 175.738 174.700 0.072 0.000 1.040 411 T CA 0.020 62.175 62.100 0.091 0.000 1.010 411 T CB 1.322 70.283 68.868 0.154 0.000 1.177 411 T HN 0.637 nan 8.240 nan 0.000 0.546 412 S N -0.713 115.030 115.700 0.072 0.000 2.481 412 S HA -0.057 4.412 4.470 -0.002 0.000 0.231 412 S C 1.031 175.631 174.600 -0.001 0.000 0.996 412 S CA 0.718 58.952 58.200 0.056 0.000 0.942 412 S CB -0.465 62.771 63.200 0.060 0.000 0.768 412 S HN 0.693 nan 8.310 nan 0.000 0.520 413 D N 0.110 120.512 120.400 0.003 0.000 2.320 413 D HA 0.260 4.898 4.640 -0.002 0.000 0.228 413 D C -0.199 175.897 176.300 -0.341 0.000 0.978 413 D CA 0.890 54.822 54.000 -0.114 0.000 0.905 413 D CB 0.188 41.040 40.800 0.087 0.000 1.051 413 D HN 0.417 nan 8.370 nan 0.000 0.471 414 Y N -0.709 119.533 120.300 -0.097 0.000 2.634 414 Y HA 0.466 5.015 4.550 -0.002 0.000 0.340 414 Y C -0.328 175.393 175.900 -0.298 0.000 1.058 414 Y CA -1.117 56.833 58.100 -0.251 0.000 1.081 414 Y CB 1.818 39.989 38.460 -0.481 0.000 1.295 414 Y HN -0.227 nan 8.280 nan 0.000 0.487 415 L N 2.277 123.373 121.223 -0.212 0.000 2.349 415 L HA 0.502 4.841 4.340 -0.002 0.000 0.278 415 L C -2.023 174.703 176.870 -0.240 0.000 0.996 415 L CA -0.729 53.969 54.840 -0.236 0.000 0.825 415 L CB 0.712 42.550 42.059 -0.368 0.000 1.243 415 L HN 0.660 nan 8.230 nan 0.000 0.412 416 Y N 5.749 125.965 120.300 -0.140 0.000 2.342 416 Y HA 0.557 5.106 4.550 -0.002 0.000 0.334 416 Y C -0.142 175.749 175.900 -0.015 0.000 1.067 416 Y CA -0.320 57.694 58.100 -0.144 0.000 1.128 416 Y CB 1.373 39.650 38.460 -0.304 0.000 1.200 416 Y HN 0.554 nan 8.280 nan 0.000 0.464 417 Y N 0.176 120.524 120.300 0.081 0.000 2.597 417 Y HA 0.784 5.333 4.550 -0.002 0.000 0.340 417 Y C -1.768 174.207 175.900 0.125 0.000 1.097 417 Y CA -1.991 56.150 58.100 0.069 0.000 1.037 417 Y CB 1.063 39.537 38.460 0.023 0.000 1.305 417 Y HN 0.426 nan 8.280 nan 0.000 0.463 418 I N 3.144 123.880 120.570 0.278 0.000 2.412 418 I HA 0.664 4.833 4.170 -0.002 0.000 0.296 418 I C -0.326 175.962 176.117 0.285 0.000 0.987 418 I CA -0.530 60.881 61.300 0.185 0.000 1.180 418 I CB 2.025 40.086 38.000 0.102 0.000 1.340 418 I HN 0.892 nan 8.210 nan 0.000 0.455 419 S N 3.096 118.923 115.700 0.211 0.000 2.638 419 S HA 0.405 4.874 4.470 -0.002 0.000 0.274 419 S C -0.680 173.959 174.600 0.065 0.000 1.157 419 S CA -0.900 57.410 58.200 0.183 0.000 0.826 419 S CB 1.745 65.072 63.200 0.212 0.000 1.139 419 S HN 0.650 nan 8.310 nan 0.000 0.474 420 N N -0.355 118.388 118.700 0.072 0.000 2.453 420 N HA 0.164 4.902 4.740 -0.002 0.000 0.270 420 N C 0.467 175.959 175.510 -0.031 0.000 1.195 420 N CA -0.329 52.725 53.050 0.007 0.000 0.902 420 N CB 0.383 38.861 38.487 -0.015 0.000 1.186 420 N HN 0.826 nan 8.380 nan 0.000 0.510 421 E N -0.103 119.940 120.200 -0.261 0.000 2.072 421 E HA -0.184 4.164 4.350 -0.002 0.000 0.191 421 E C -0.323 176.134 176.600 -0.240 0.000 0.985 421 E CA 0.215 56.230 56.400 -0.640 0.000 0.801 421 E CB -0.075 28.629 29.700 -1.660 0.000 0.750 421 E HN 0.391 nan 8.360 nan 0.000 0.452 422 Y N 1.787 121.996 120.300 -0.152 0.000 2.881 422 Y HA -0.129 4.420 4.550 -0.002 0.000 0.335 422 Y C 0.457 176.321 175.900 -0.060 0.000 1.263 422 Y CA 0.886 58.949 58.100 -0.062 0.000 1.572 422 Y CB 0.195 38.649 38.460 -0.010 0.000 1.237 422 Y HN 0.092 nan 8.280 nan 0.000 0.568 423 K N 3.213 123.305 120.400 -0.513 0.000 3.274 423 K HA -0.226 4.092 4.320 -0.002 0.000 0.305 423 K C 0.741 177.264 176.600 -0.128 0.000 1.225 423 K CA 1.246 57.315 56.287 -0.364 0.000 0.904 423 K CB -1.634 30.645 32.500 -0.368 0.000 1.227 423 K HN 1.310 nan 8.250 nan 0.000 0.453 424 G N -0.061 108.678 108.800 -0.102 0.000 2.283 424 G HA2 -0.345 3.614 3.960 -0.002 0.000 0.280 424 G HA3 -0.345 3.614 3.960 -0.002 0.000 0.280 424 G C -0.028 174.845 174.900 -0.045 0.000 1.029 424 G CA 0.787 45.870 45.100 -0.028 0.000 0.840 424 G HN 0.309 nan 8.290 nan 0.000 0.505 425 M N -0.174 119.335 119.600 -0.151 0.000 2.055 425 M HA 0.259 4.738 4.480 -0.002 0.000 0.347 425 M C -1.265 174.780 176.300 -0.426 0.000 1.123 425 M CA -2.073 52.970 55.300 -0.429 0.000 1.035 425 M CB 1.792 34.215 32.600 -0.296 0.000 1.484 425 M HN -0.150 nan 8.290 nan 0.000 0.428 426 P HA -0.110 nan 4.420 nan 0.000 0.219 426 P C 1.190 178.335 177.300 -0.258 0.000 1.146 426 P CA 1.065 63.968 63.100 -0.329 0.000 0.808 426 P CB 0.201 31.686 31.700 -0.359 0.000 0.779 427 G N -1.258 107.330 108.800 -0.354 0.000 3.141 427 G HA2 0.242 4.201 3.960 -0.002 0.000 0.218 427 G HA3 0.242 4.201 3.960 -0.002 0.000 0.218 427 G C 0.641 175.549 174.900 0.014 0.000 1.170 427 G CA 0.089 45.122 45.100 -0.112 0.000 0.769 427 G HN 0.373 nan 8.290 nan 0.000 0.546 428 G N -0.124 108.621 108.800 -0.091 0.000 2.410 428 G HA2 0.625 4.584 3.960 -0.002 0.000 0.330 428 G HA3 0.625 4.584 3.960 -0.002 0.000 0.330 428 G C -0.755 174.024 174.900 -0.200 0.000 1.142 428 G CA -0.743 44.333 45.100 -0.041 0.000 0.902 428 G HN 0.074 nan 8.290 nan 0.000 0.491 429 R N 1.347 121.675 120.500 -0.286 0.000 2.538 429 R HA 0.432 4.771 4.340 -0.002 0.000 0.292 429 R C -1.190 175.075 176.300 -0.058 0.000 1.008 429 R CA -0.792 55.115 56.100 -0.322 0.000 0.896 429 R CB 2.093 31.931 30.300 -0.770 0.000 1.187 429 R HN 0.589 nan 8.270 nan 0.000 0.440 430 N N 1.699 120.398 118.700 -0.001 0.000 2.329 430 N HA 0.321 5.060 4.740 -0.002 0.000 0.282 430 N C -1.280 174.161 175.510 -0.115 0.000 1.198 430 N CA -0.812 52.179 53.050 -0.099 0.000 0.790 430 N CB 2.751 41.089 38.487 -0.248 0.000 1.579 430 N HN 0.250 nan 8.380 nan 0.000 0.475 431 L N 2.076 123.078 121.223 -0.369 0.000 2.292 431 L HA 0.489 4.828 4.340 -0.002 0.000 0.284 431 L C -1.402 175.151 176.870 -0.528 0.000 1.065 431 L CA 0.088 54.737 54.840 -0.318 0.000 0.806 431 L CB -0.002 41.847 42.059 -0.350 0.000 1.175 431 L HN 0.411 nan 8.230 nan 0.000 0.431 432 Y N 3.119 123.065 120.300 -0.591 0.000 2.605 432 Y HA 0.623 5.171 4.550 -0.002 0.000 0.343 432 Y C -0.577 174.928 175.900 -0.658 0.000 1.036 432 Y CA -1.006 56.687 58.100 -0.680 0.000 1.065 432 Y CB 1.670 39.561 38.460 -0.948 0.000 1.288 432 Y HN 0.562 nan 8.280 nan 0.000 0.481 433 K N 1.946 122.153 120.400 -0.321 0.000 2.443 433 K HA 0.751 5.070 4.320 -0.002 0.000 0.252 433 K C -1.945 174.603 176.600 -0.086 0.000 0.933 433 K CA -0.679 55.357 56.287 -0.418 0.000 0.792 433 K CB 2.648 34.678 32.500 -0.783 0.000 1.185 433 K HN 0.767 nan 8.250 nan 0.000 0.425 434 I N 2.350 122.952 120.570 0.054 0.000 2.433 434 I HA 0.169 4.338 4.170 -0.002 0.000 0.292 434 I C -0.670 175.532 176.117 0.142 0.000 1.001 434 I CA -0.791 60.612 61.300 0.172 0.000 1.119 434 I CB 1.973 40.095 38.000 0.204 0.000 1.289 434 I HN 0.857 nan 8.210 nan 0.000 0.438 435 Q N 5.520 125.381 119.800 0.101 0.000 2.262 435 Q HA 0.063 4.402 4.340 -0.002 0.000 0.272 435 Q C 0.284 176.205 176.000 -0.132 0.000 1.076 435 Q CA -0.451 55.205 55.803 -0.246 0.000 0.905 435 Q CB 1.012 29.652 28.738 -0.164 0.000 1.182 435 Q HN 0.727 nan 8.270 nan 0.000 0.390 436 L N 3.041 124.127 121.223 -0.229 0.000 2.191 436 L HA -0.139 4.200 4.340 -0.002 0.000 0.212 436 L C 1.924 178.698 176.870 -0.160 0.000 1.103 436 L CA 1.432 56.230 54.840 -0.070 0.000 0.769 436 L CB -0.758 41.231 42.059 -0.117 0.000 0.908 436 L HN 0.578 nan 8.230 nan 0.000 0.438 437 S N -1.576 113.989 115.700 -0.226 0.000 2.461 437 S HA -0.018 4.451 4.470 -0.002 0.000 0.228 437 S C 0.564 174.998 174.600 -0.277 0.000 1.005 437 S CA 0.424 58.485 58.200 -0.231 0.000 0.942 437 S CB 0.086 63.177 63.200 -0.182 0.000 0.776 437 S HN 0.387 nan 8.310 nan 0.000 0.514 438 D N -0.431 119.820 120.400 -0.248 0.000 2.319 438 D HA 0.180 4.819 4.640 -0.002 0.000 0.237 438 D C -0.395 175.871 176.300 -0.057 0.000 1.353 438 D CA -0.487 53.389 54.000 -0.207 0.000 0.992 438 D CB 0.099 40.834 40.800 -0.109 0.000 1.368 438 D HN -0.085 nan 8.370 nan 0.000 0.564 439 Y N 1.336 121.613 120.300 -0.038 0.000 2.556 439 Y HA -0.083 4.465 4.550 -0.002 0.000 0.290 439 Y C 2.404 178.310 175.900 0.010 0.000 1.149 439 Y CA 0.765 58.856 58.100 -0.014 0.000 1.329 439 Y CB -0.776 37.677 38.460 -0.013 0.000 0.975 439 Y HN 0.327 nan 8.280 nan 0.000 0.561 440 T N -0.284 114.345 114.554 0.125 0.000 2.915 440 T HA -0.085 4.264 4.350 -0.002 0.000 0.269 440 T C 0.811 175.561 174.700 0.083 0.000 1.071 440 T CA 0.802 62.953 62.100 0.084 0.000 1.132 440 T CB -0.168 68.722 68.868 0.036 0.000 0.878 440 T HN 0.186 nan 8.240 nan 0.000 0.479 441 K N 2.072 122.522 120.400 0.083 0.000 2.206 441 K HA 0.403 4.722 4.320 -0.002 0.000 0.268 441 K C -1.037 175.636 176.600 0.123 0.000 1.111 441 K CA -0.201 56.138 56.287 0.087 0.000 0.955 441 K CB 1.244 33.788 32.500 0.072 0.000 1.406 441 K HN 0.016 nan 8.250 nan 0.000 0.427 442 V N 2.749 122.734 119.914 0.119 0.000 2.409 442 V HA 0.380 4.499 4.120 -0.002 0.000 0.291 442 V C -0.908 175.246 176.094 0.100 0.000 1.020 442 V CA -0.145 62.240 62.300 0.141 0.000 0.848 442 V CB 1.835 33.769 31.823 0.186 0.000 0.990 442 V HN 0.589 nan 8.190 nan 0.000 0.430 443 T N 6.282 120.860 114.554 0.040 0.000 2.779 443 T HA 0.318 4.667 4.350 -0.002 0.000 0.280 443 T C -0.424 174.169 174.700 -0.177 0.000 0.987 443 T CA -0.243 61.825 62.100 -0.054 0.000 0.966 443 T CB 1.066 69.872 68.868 -0.104 0.000 0.933 443 T HN 0.907 nan 8.240 nan 0.000 0.442 444 C N 4.918 124.030 119.300 -0.314 0.000 2.499 444 C HA 0.435 4.893 4.460 -0.002 0.000 0.386 444 C C 1.581 176.225 174.990 -0.575 0.000 1.293 444 C CA -0.539 58.001 59.018 -0.796 0.000 1.884 444 C CB -1.600 25.559 27.740 -0.967 0.000 2.509 444 C HN 0.987 nan 8.230 nan 0.000 0.566 445 L N 4.618 125.475 121.223 -0.610 0.000 2.554 445 L HA 0.119 4.457 4.340 -0.002 0.000 0.225 445 L C 2.014 178.573 176.870 -0.518 0.000 1.104 445 L CA 0.715 55.290 54.840 -0.443 0.000 0.866 445 L CB -0.193 41.649 42.059 -0.361 0.000 1.047 445 L HN 0.890 nan 8.230 nan 0.000 0.468 446 S N -3.276 111.999 115.700 -0.708 0.000 2.628 446 S HA -0.009 4.460 4.470 -0.002 0.000 0.246 446 S C 1.794 175.984 174.600 -0.682 0.000 1.062 446 S CA -0.084 57.599 58.200 -0.861 0.000 1.028 446 S CB -0.292 61.973 63.200 -1.558 0.000 0.985 446 S HN 0.279 nan 8.310 nan 0.000 0.551 447 C N 2.227 121.087 119.300 -0.734 0.000 2.385 447 C HA -0.041 4.418 4.460 -0.002 0.000 0.275 447 C C 2.512 177.185 174.990 -0.530 0.000 1.207 447 C CA 1.566 60.060 59.018 -0.873 0.000 1.760 447 C CB -1.104 25.845 27.740 -1.319 0.000 2.051 447 C HN 0.595 nan 8.230 nan 0.000 0.467 448 E N 0.036 120.021 120.200 -0.358 0.000 2.479 448 E HA 0.168 4.517 4.350 -0.002 0.000 0.193 448 E C 1.907 178.449 176.600 -0.097 0.000 1.049 448 E CA -0.012 56.289 56.400 -0.165 0.000 0.870 448 E CB -0.305 29.321 29.700 -0.124 0.000 0.944 448 E HN 0.571 nan 8.360 nan 0.000 0.492 449 L N 0.203 121.362 121.223 -0.108 0.000 2.042 449 L HA -0.106 4.233 4.340 -0.002 0.000 0.210 449 L C 0.893 177.770 176.870 0.011 0.000 1.076 449 L CA 1.005 55.826 54.840 -0.031 0.000 0.749 449 L CB -0.054 42.005 42.059 -0.001 0.000 0.893 449 L HN 0.128 nan 8.230 nan 0.000 0.432 450 N N -1.617 117.102 118.700 0.032 0.000 3.304 450 N HA 0.045 4.784 4.740 -0.002 0.000 0.187 450 N C -2.113 173.421 175.510 0.040 0.000 1.482 450 N CA -0.722 52.345 53.050 0.028 0.000 0.785 450 N CB 0.606 39.105 38.487 0.020 0.000 1.619 450 N HN -0.200 nan 8.380 nan 0.000 0.624 451 P HA -0.162 nan 4.420 nan 0.000 0.218 451 P C 0.821 178.165 177.300 0.074 0.000 1.146 451 P CA 1.188 64.341 63.100 0.088 0.000 0.813 451 P CB 0.688 32.459 31.700 0.118 0.000 0.778 452 E N -0.209 120.016 120.200 0.042 0.000 2.046 452 E HA -0.119 4.230 4.350 -0.002 0.000 0.190 452 E C 2.287 178.890 176.600 0.006 0.000 0.982 452 E CA 0.879 57.294 56.400 0.025 0.000 0.800 452 E CB -0.366 29.342 29.700 0.012 0.000 0.756 452 E HN 0.299 nan 8.360 nan 0.000 0.449 453 R N -0.372 120.119 120.500 -0.015 0.000 2.173 453 R HA 0.065 4.404 4.340 -0.002 0.000 0.208 453 R C -0.027 176.223 176.300 -0.082 0.000 1.035 453 R CA 0.446 56.514 56.100 -0.053 0.000 1.004 453 R CB 0.398 30.655 30.300 -0.072 0.000 0.917 453 R HN 0.030 nan 8.270 nan 0.000 0.462 454 c N 1.057 119.619 118.600 -0.063 0.000 2.344 454 c HA 0.414 4.983 4.570 -0.002 0.000 0.326 454 c C 0.021 174.091 174.090 -0.033 0.000 1.201 454 c CA -0.716 55.521 56.329 -0.153 0.000 1.410 454 c CB 1.404 43.767 42.510 -0.247 0.000 2.070 454 c HN 0.509 nan 8.230 nan 0.000 0.445 455 Q N 0.442 120.219 119.800 -0.039 0.000 2.113 455 Q HA 0.184 4.522 4.340 -0.002 0.000 0.225 455 Q C -0.956 175.113 176.000 0.116 0.000 0.786 455 Q CA 0.045 55.905 55.803 0.094 0.000 0.989 455 Q CB 1.391 30.201 28.738 0.120 0.000 1.174 455 Q HN 0.792 nan 8.270 nan 0.000 0.470 456 Y N 0.481 120.684 120.300 -0.161 0.000 2.333 456 Y HA 0.393 4.942 4.550 -0.002 0.000 0.324 456 Y C -1.620 174.143 175.900 -0.228 0.000 1.033 456 Y CA -1.071 56.962 58.100 -0.113 0.000 1.224 456 Y CB 0.854 39.253 38.460 -0.103 0.000 1.120 456 Y HN -0.081 nan 8.280 nan 0.000 0.457 457 Y N 2.229 122.481 120.300 -0.080 0.000 2.509 457 Y HA 0.681 5.229 4.550 -0.002 0.000 0.341 457 Y C 0.089 175.959 175.900 -0.052 0.000 1.038 457 Y CA -0.705 57.363 58.100 -0.054 0.000 1.089 457 Y CB 2.342 40.733 38.460 -0.114 0.000 1.241 457 Y HN 0.509 nan 8.280 nan 0.000 0.468 458 S N 0.729 116.541 115.700 0.186 0.000 2.599 458 S HA 0.878 5.347 4.470 -0.002 0.000 0.287 458 S C -1.609 173.073 174.600 0.137 0.000 1.105 458 S CA -0.738 57.548 58.200 0.144 0.000 0.899 458 S CB 1.860 65.155 63.200 0.159 0.000 1.100 458 S HN 0.640 nan 8.310 nan 0.000 0.482 459 V N 0.325 120.314 119.914 0.124 0.000 3.130 459 V HA 0.893 5.012 4.120 -0.002 0.000 0.310 459 V C -1.213 174.959 176.094 0.131 0.000 1.158 459 V CA -0.322 62.019 62.300 0.070 0.000 1.029 459 V CB 2.356 34.140 31.823 -0.065 0.000 1.057 459 V HN 1.197 nan 8.190 nan 0.000 0.436 460 S N 3.807 119.562 115.700 0.092 0.000 2.775 460 S HA 0.633 5.102 4.470 -0.002 0.000 0.277 460 S C -1.248 173.484 174.600 0.219 0.000 1.156 460 S CA -0.400 57.956 58.200 0.260 0.000 1.081 460 S CB 0.284 63.691 63.200 0.346 0.000 1.054 460 S HN 0.489 nan 8.310 nan 0.000 0.482 461 F N 3.040 123.049 119.950 0.098 0.000 2.371 461 F HA 0.458 4.984 4.527 -0.002 0.000 0.329 461 F C 1.474 176.885 175.800 -0.649 0.000 1.107 461 F CA -0.272 57.620 58.000 -0.181 0.000 1.137 461 F CB 1.256 40.124 39.000 -0.220 0.000 1.214 461 F HN 0.610 nan 8.300 nan 0.000 0.536 462 S N 1.833 116.961 115.700 -0.954 0.000 2.617 462 S HA 0.164 4.633 4.470 -0.002 0.000 0.259 462 S C 1.224 175.582 174.600 -0.402 0.000 1.301 462 S CA -0.827 56.578 58.200 -1.326 0.000 0.984 462 S CB 0.707 63.164 63.200 -1.239 0.000 0.954 462 S HN 0.517 nan 8.310 nan 0.000 0.572 463 K N 0.961 121.251 120.400 -0.182 0.000 2.059 463 K HA -0.109 4.209 4.320 -0.002 0.000 0.212 463 K C 1.058 177.632 176.600 -0.045 0.000 1.050 463 K CA 1.610 57.880 56.287 -0.027 0.000 0.927 463 K CB -0.517 32.013 32.500 0.050 0.000 0.714 463 K HN 0.680 nan 8.250 nan 0.000 0.447 464 E N -0.765 119.378 120.200 -0.095 0.000 2.496 464 E HA 0.254 4.603 4.350 -0.002 0.000 0.200 464 E C 0.081 176.613 176.600 -0.113 0.000 1.016 464 E CA 0.122 56.476 56.400 -0.076 0.000 0.962 464 E CB 0.454 30.117 29.700 -0.061 0.000 1.071 464 E HN 0.241 nan 8.360 nan 0.000 0.457 465 A N 1.240 123.978 122.820 -0.137 0.000 2.860 465 A HA -0.322 3.997 4.320 -0.002 0.000 0.267 465 A C 1.516 179.031 177.584 -0.116 0.000 1.421 465 A CA 1.630 53.610 52.037 -0.095 0.000 0.831 465 A CB -2.102 16.746 19.000 -0.253 0.000 1.041 465 A HN 0.278 nan 8.150 nan 0.000 0.623 466 K N -1.909 118.342 120.400 -0.249 0.000 2.155 466 K HA 0.092 4.411 4.320 -0.002 0.000 0.203 466 K C 0.123 176.335 176.600 -0.647 0.000 1.052 466 K CA 1.453 57.470 56.287 -0.450 0.000 0.948 466 K CB -0.009 32.131 32.500 -0.599 0.000 0.728 466 K HN 0.682 nan 8.250 nan 0.000 0.448 467 Y N -1.256 118.927 120.300 -0.195 0.000 2.638 467 Y HA 0.336 4.885 4.550 -0.002 0.000 0.339 467 Y C -1.034 174.751 175.900 -0.191 0.000 1.084 467 Y CA -1.333 56.656 58.100 -0.186 0.000 1.068 467 Y CB 1.703 40.059 38.460 -0.173 0.000 1.294 467 Y HN -0.023 nan 8.280 nan 0.000 0.480 468 Y N -1.120 119.150 120.300 -0.051 0.000 2.521 468 Y HA 0.470 5.018 4.550 -0.002 0.000 0.332 468 Y C -1.392 174.512 175.900 0.006 0.000 1.121 468 Y CA -1.399 56.527 58.100 -0.291 0.000 1.037 468 Y CB 1.360 39.147 38.460 -1.123 0.000 1.330 468 Y HN 0.608 nan 8.280 nan 0.000 0.452 469 Q N 4.036 123.954 119.800 0.196 0.000 2.271 469 Q HA 0.592 4.931 4.340 -0.002 0.000 0.258 469 Q C -1.776 174.305 176.000 0.135 0.000 0.936 469 Q CA -0.739 55.143 55.803 0.133 0.000 0.909 469 Q CB 1.424 30.207 28.738 0.076 0.000 1.253 469 Q HN 0.968 nan 8.270 nan 0.000 0.440 470 L N 4.189 125.505 121.223 0.155 0.000 2.309 470 L HA 0.531 4.870 4.340 -0.002 0.000 0.282 470 L C -0.220 176.735 176.870 0.141 0.000 1.036 470 L CA -0.596 54.334 54.840 0.150 0.000 0.806 470 L CB 1.423 43.547 42.059 0.108 0.000 1.220 470 L HN 0.620 nan 8.230 nan 0.000 0.429 471 R N 2.407 122.980 120.500 0.122 0.000 2.310 471 R HA 0.279 4.618 4.340 -0.002 0.000 0.316 471 R C -0.951 175.218 176.300 -0.217 0.000 1.004 471 R CA -0.497 55.531 56.100 -0.121 0.000 0.900 471 R CB 1.405 31.700 30.300 -0.008 0.000 1.152 471 R HN 0.572 nan 8.270 nan 0.000 0.513 472 c N 2.910 121.244 118.600 -0.443 0.000 2.394 472 c HA 0.285 4.854 4.570 -0.002 0.000 0.362 472 c C 1.559 175.391 174.090 -0.429 0.000 1.268 472 c CA -0.237 55.704 56.329 -0.647 0.000 1.828 472 c CB -0.131 41.996 42.510 -0.638 0.000 2.442 472 c HN 0.957 nan 8.230 nan 0.000 0.549 473 S N 3.873 119.410 115.700 -0.272 0.000 2.629 473 S HA 0.597 5.066 4.470 -0.002 0.000 0.236 473 S C 0.414 174.953 174.600 -0.102 0.000 1.010 473 S CA 0.255 58.362 58.200 -0.155 0.000 0.981 473 S CB 0.060 63.207 63.200 -0.087 0.000 0.919 473 S HN 1.870 nan 8.310 nan 0.000 0.514 474 G N 1.759 110.483 108.800 -0.128 0.000 2.321 474 G HA2 0.372 4.331 3.960 -0.002 0.000 0.298 474 G HA3 0.372 4.331 3.960 -0.002 0.000 0.298 474 G C -2.994 171.874 174.900 -0.053 0.000 1.385 474 G CA -0.435 44.637 45.100 -0.048 0.000 0.856 474 G HN -0.130 nan 8.290 nan 0.000 0.584 475 P HA 0.118 nan 4.420 nan 0.000 0.229 475 P C 1.242 178.572 177.300 0.050 0.000 1.160 475 P CA 1.348 64.472 63.100 0.040 0.000 0.777 475 P CB 0.362 32.084 31.700 0.036 0.000 0.814 476 G N 0.350 109.111 108.800 -0.065 0.000 2.525 476 G HA2 0.412 4.370 3.960 -0.002 0.000 0.287 476 G HA3 0.412 4.370 3.960 -0.002 0.000 0.287 476 G C -0.264 174.393 174.900 -0.404 0.000 1.350 476 G CA -0.780 44.212 45.100 -0.179 0.000 1.039 476 G HN 0.035 nan 8.290 nan 0.000 0.513 477 L N 1.076 121.967 121.223 -0.554 0.000 2.485 477 L HA 0.123 4.462 4.340 -0.002 0.000 0.275 477 L C -1.860 174.789 176.870 -0.367 0.000 1.207 477 L CA -1.154 53.280 54.840 -0.677 0.000 0.855 477 L CB 0.524 42.300 42.059 -0.472 0.000 1.114 477 L HN 0.237 nan 8.230 nan 0.000 0.485 478 P HA 0.009 nan 4.420 nan 0.000 0.264 478 P C -0.896 176.268 177.300 -0.227 0.000 1.183 478 P CA 0.054 63.013 63.100 -0.235 0.000 0.763 478 P CB 0.541 32.181 31.700 -0.099 0.000 0.807 479 L N 5.650 126.661 121.223 -0.352 0.000 2.376 479 L HA 0.471 4.810 4.340 -0.002 0.000 0.275 479 L C -1.651 175.020 176.870 -0.331 0.000 0.987 479 L CA -0.680 54.025 54.840 -0.225 0.000 0.828 479 L CB 0.822 42.788 42.059 -0.156 0.000 1.249 479 L HN 0.228 nan 8.230 nan 0.000 0.409 480 Y N 2.934 123.186 120.300 -0.079 0.000 2.331 480 Y HA 0.735 5.284 4.550 -0.002 0.000 0.338 480 Y C 0.588 176.376 175.900 -0.188 0.000 0.992 480 Y CA -0.457 57.576 58.100 -0.112 0.000 1.121 480 Y CB 1.951 40.325 38.460 -0.144 0.000 1.184 480 Y HN 0.684 nan 8.280 nan 0.000 0.469 481 T N 1.158 115.706 114.554 -0.009 0.000 2.883 481 T HA 0.715 5.064 4.350 -0.002 0.000 0.296 481 T C -1.269 173.336 174.700 -0.158 0.000 1.117 481 T CA -0.967 61.061 62.100 -0.119 0.000 1.006 481 T CB 1.725 70.563 68.868 -0.050 0.000 1.191 481 T HN 0.552 nan 8.240 nan 0.000 0.508 482 L N 1.303 122.300 121.223 -0.377 0.000 2.346 482 L HA 0.686 5.025 4.340 -0.002 0.000 0.274 482 L C -1.115 175.373 176.870 -0.636 0.000 1.007 482 L CA -0.848 53.803 54.840 -0.315 0.000 0.818 482 L CB 1.722 43.635 42.059 -0.244 0.000 1.284 482 L HN 0.901 nan 8.230 nan 0.000 0.424 483 H N 0.001 118.812 119.070 -0.431 0.000 2.980 483 H HA 0.417 4.972 4.556 -0.002 0.000 0.367 483 H C -0.699 174.383 175.328 -0.409 0.000 1.206 483 H CA -0.770 54.940 56.048 -0.563 0.000 1.126 483 H CB 1.968 31.078 29.762 -1.087 0.000 1.838 483 H HN 0.434 nan 8.280 nan 0.000 0.552 484 S N 0.044 115.693 115.700 -0.086 0.000 2.451 484 S HA 0.285 4.754 4.470 -0.002 0.000 0.301 484 S C 0.314 174.899 174.600 -0.025 0.000 1.116 484 S CA -0.693 57.485 58.200 -0.037 0.000 1.093 484 S CB 1.597 64.803 63.200 0.009 0.000 1.017 484 S HN 0.558 nan 8.310 nan 0.000 0.482 485 S N 2.324 118.026 115.700 0.003 0.000 2.447 485 S HA -0.095 4.374 4.470 -0.002 0.000 0.233 485 S C 1.848 176.479 174.600 0.052 0.000 1.006 485 S CA 0.796 59.084 58.200 0.148 0.000 0.957 485 S CB -0.388 62.883 63.200 0.119 0.000 0.773 485 S HN 0.702 nan 8.310 nan 0.000 0.507 486 V N 2.387 122.286 119.914 -0.025 0.000 2.332 486 V HA -0.222 3.897 4.120 -0.002 0.000 0.248 486 V C 0.955 177.052 176.094 0.004 0.000 1.055 486 V CA 2.136 64.430 62.300 -0.010 0.000 1.038 486 V CB -0.400 31.405 31.823 -0.030 0.000 0.651 486 V HN 0.549 nan 8.190 nan 0.000 0.450 487 N N -1.710 116.994 118.700 0.006 0.000 2.143 487 N HA 0.153 4.892 4.740 -0.002 0.000 0.222 487 N C -0.323 175.196 175.510 0.016 0.000 1.264 487 N CA 0.441 53.495 53.050 0.005 0.000 0.897 487 N CB 0.786 39.276 38.487 0.005 0.000 1.092 487 N HN 0.305 nan 8.380 nan 0.000 0.516 488 D N 0.849 121.281 120.400 0.053 0.000 2.907 488 D HA -0.156 4.483 4.640 -0.002 0.000 0.226 488 D C -0.506 175.837 176.300 0.072 0.000 1.141 488 D CA 0.998 55.062 54.000 0.107 0.000 0.779 488 D CB -0.868 39.975 40.800 0.073 0.000 1.095 488 D HN 0.379 nan 8.370 nan 0.000 0.430 489 K N 0.454 120.873 120.400 0.031 0.000 2.298 489 K HA 0.358 4.677 4.320 -0.002 0.000 0.280 489 K C 1.038 177.620 176.600 -0.031 0.000 1.032 489 K CA 0.125 56.416 56.287 0.006 0.000 0.958 489 K CB 0.897 33.392 32.500 -0.009 0.000 0.978 489 K HN 0.109 nan 8.250 nan 0.000 0.472 490 G N 3.228 111.990 108.800 -0.063 0.000 2.360 490 G HA2 0.135 4.093 3.960 -0.002 0.000 0.279 490 G HA3 0.135 4.093 3.960 -0.002 0.000 0.279 490 G C 0.845 175.591 174.900 -0.256 0.000 1.189 490 G CA -0.380 44.548 45.100 -0.287 0.000 0.941 490 G HN 0.592 nan 8.290 nan 0.000 0.445 491 L N 1.862 122.893 121.223 -0.321 0.000 2.068 491 L HA 0.249 4.588 4.340 -0.002 0.000 0.204 491 L C 1.655 178.417 176.870 -0.181 0.000 1.076 491 L CA 0.960 55.685 54.840 -0.192 0.000 0.753 491 L CB -0.251 41.712 42.059 -0.161 0.000 0.910 491 L HN 0.784 nan 8.230 nan 0.000 0.439 492 R N -2.549 117.801 120.500 -0.250 0.000 2.829 492 R HA 0.353 4.692 4.340 -0.002 0.000 0.283 492 R C -1.669 174.489 176.300 -0.236 0.000 1.013 492 R CA -0.957 55.025 56.100 -0.196 0.000 0.848 492 R CB 1.075 31.290 30.300 -0.142 0.000 1.291 492 R HN -0.298 nan 8.270 nan 0.000 0.496 493 V N 2.638 122.444 119.914 -0.181 0.000 2.432 493 V HA 0.205 4.324 4.120 -0.002 0.000 0.275 493 V C 1.282 177.236 176.094 -0.233 0.000 1.043 493 V CA -0.437 61.758 62.300 -0.176 0.000 0.925 493 V CB 1.168 32.926 31.823 -0.108 0.000 0.985 493 V HN 0.626 nan 8.190 nan 0.000 0.466 494 L N 2.574 123.589 121.223 -0.347 0.000 2.168 494 L HA 0.275 4.614 4.340 -0.002 0.000 0.203 494 L C 0.726 177.380 176.870 -0.360 0.000 1.078 494 L CA 0.754 55.207 54.840 -0.645 0.000 0.780 494 L CB 0.207 41.473 42.059 -1.322 0.000 0.939 494 L HN 0.693 nan 8.230 nan 0.000 0.451 495 E N -0.141 119.982 120.200 -0.128 0.000 2.343 495 E HA 0.093 4.442 4.350 -0.002 0.000 0.286 495 E C -1.229 175.435 176.600 0.106 0.000 0.915 495 E CA -0.370 56.060 56.400 0.049 0.000 0.784 495 E CB 1.138 30.907 29.700 0.116 0.000 1.251 495 E HN 0.154 nan 8.360 nan 0.000 0.407 496 D N 3.026 123.458 120.400 0.053 0.000 2.469 496 D HA 0.151 4.790 4.640 -0.002 0.000 0.213 496 D C -0.283 176.024 176.300 0.011 0.000 1.135 496 D CA -0.260 53.751 54.000 0.019 0.000 0.834 496 D CB -0.030 40.762 40.800 -0.014 0.000 1.009 496 D HN 0.442 nan 8.370 nan 0.000 0.507 497 N N 0.518 119.246 118.700 0.045 0.000 2.735 497 N HA -0.216 4.522 4.740 -0.002 0.000 0.248 497 N C 0.992 176.506 175.510 0.006 0.000 1.083 497 N CA 0.924 53.993 53.050 0.031 0.000 0.703 497 N CB -1.329 37.161 38.487 0.004 0.000 1.005 497 N HN 0.495 nan 8.380 nan 0.000 0.550 498 S N -1.153 114.554 115.700 0.011 0.000 2.399 498 S HA -0.053 4.416 4.470 -0.002 0.000 0.231 498 S C 2.102 176.715 174.600 0.021 0.000 1.022 498 S CA 0.996 59.199 58.200 0.006 0.000 0.983 498 S CB -0.146 63.058 63.200 0.007 0.000 0.803 498 S HN 0.508 nan 8.310 nan 0.000 0.480 499 A N 2.080 124.922 122.820 0.037 0.000 1.877 499 A HA 0.039 4.358 4.320 -0.002 0.000 0.216 499 A C 2.249 179.875 177.584 0.070 0.000 1.186 499 A CA 1.664 53.732 52.037 0.053 0.000 0.620 499 A CB -0.964 18.071 19.000 0.059 0.000 0.822 499 A HN 0.528 nan 8.150 nan 0.000 0.443 500 L N 0.310 121.577 121.223 0.073 0.000 2.083 500 L HA -0.146 4.193 4.340 -0.002 0.000 0.209 500 L C 1.901 178.807 176.870 0.060 0.000 1.083 500 L CA 2.750 57.651 54.840 0.101 0.000 0.752 500 L CB -0.731 41.386 42.059 0.097 0.000 0.899 500 L HN 0.516 nan 8.230 nan 0.000 0.433 501 D N -0.912 119.495 120.400 0.012 0.000 2.123 501 D HA -0.221 4.417 4.640 -0.002 0.000 0.196 501 D C 2.019 178.325 176.300 0.010 0.000 0.992 501 D CA 1.207 55.197 54.000 -0.016 0.000 0.833 501 D CB 0.118 40.898 40.800 -0.034 0.000 0.954 501 D HN 0.108 nan 8.370 nan 0.000 0.455 502 K N -0.184 120.234 120.400 0.030 0.000 2.057 502 K HA -0.094 4.225 4.320 -0.002 0.000 0.207 502 K C 2.242 178.881 176.600 0.064 0.000 1.049 502 K CA 0.883 57.194 56.287 0.041 0.000 0.931 502 K CB -0.441 32.086 32.500 0.045 0.000 0.714 502 K HN 0.389 nan 8.250 nan 0.000 0.440 503 M N 0.332 119.993 119.600 0.102 0.000 2.132 503 M HA -0.104 4.375 4.480 -0.002 0.000 0.263 503 M C 2.072 178.425 176.300 0.088 0.000 1.065 503 M CA 1.308 56.710 55.300 0.171 0.000 1.122 503 M CB -0.216 32.580 32.600 0.327 0.000 1.365 503 M HN 0.010 nan 8.290 nan 0.000 0.411 504 L N 0.193 121.415 121.223 -0.002 0.000 2.291 504 L HA -0.174 4.165 4.340 -0.002 0.000 0.214 504 L C 2.551 179.392 176.870 -0.049 0.000 1.120 504 L CA 0.761 55.540 54.840 -0.101 0.000 0.799 504 L CB -0.726 41.279 42.059 -0.090 0.000 0.925 504 L HN 0.469 nan 8.230 nan 0.000 0.446 505 Q N -0.667 119.127 119.800 -0.009 0.000 2.437 505 Q HA -0.109 4.230 4.340 -0.002 0.000 0.210 505 Q C 0.714 176.724 176.000 0.017 0.000 0.972 505 Q CA 0.878 56.682 55.803 0.001 0.000 0.903 505 Q CB -0.241 28.502 28.738 0.009 0.000 0.967 505 Q HN 0.496 nan 8.270 nan 0.000 0.486 506 N N 0.865 119.582 118.700 0.029 0.000 2.251 506 N HA 0.137 4.876 4.740 -0.002 0.000 0.217 506 N C -0.842 174.700 175.510 0.052 0.000 1.124 506 N CA 0.114 53.195 53.050 0.051 0.000 0.843 506 N CB 1.742 40.276 38.487 0.077 0.000 1.024 506 N HN 0.104 nan 8.380 nan 0.000 0.501 507 V N 0.637 120.559 119.914 0.014 0.000 2.841 507 V HA 0.247 4.365 4.120 -0.002 0.000 0.310 507 V C -1.126 174.967 176.094 -0.001 0.000 1.090 507 V CA -0.762 61.546 62.300 0.013 0.000 0.930 507 V CB 2.457 34.248 31.823 -0.053 0.000 1.014 507 V HN 0.003 nan 8.190 nan 0.000 0.425 508 Q N 6.370 126.185 119.800 0.025 0.000 2.452 508 Q HA 0.357 4.695 4.340 -0.002 0.000 0.230 508 Q C -0.438 175.539 176.000 -0.037 0.000 1.180 508 Q CA -0.164 55.630 55.803 -0.015 0.000 0.914 508 Q CB 0.629 29.385 28.738 0.030 0.000 1.408 508 Q HN 0.592 nan 8.270 nan 0.000 0.520 509 M N 3.659 123.214 119.600 -0.074 0.000 2.288 509 M HA 0.389 4.868 4.480 -0.002 0.000 0.334 509 M C -1.999 174.231 176.300 -0.118 0.000 1.150 509 M CA -2.461 52.784 55.300 -0.092 0.000 1.118 509 M CB 0.123 32.666 32.600 -0.095 0.000 1.501 509 M HN 0.304 nan 8.290 nan 0.000 0.462 510 P HA 0.252 nan 4.420 nan 0.000 0.276 510 P C -0.787 176.423 177.300 -0.151 0.000 1.261 510 P CA -0.338 62.670 63.100 -0.152 0.000 0.800 510 P CB 0.698 32.296 31.700 -0.170 0.000 1.066 511 S N -0.670 114.927 115.700 -0.171 0.000 2.704 511 S HA 0.625 5.094 4.470 -0.002 0.000 0.305 511 S C -0.528 173.967 174.600 -0.175 0.000 1.107 511 S CA -0.753 57.357 58.200 -0.150 0.000 0.993 511 S CB 1.691 64.803 63.200 -0.146 0.000 1.110 511 S HN 0.518 nan 8.310 nan 0.000 0.534 512 K N 0.391 120.711 120.400 -0.132 0.000 2.397 512 K HA 0.429 4.748 4.320 -0.002 0.000 0.253 512 K C -1.419 175.118 176.600 -0.105 0.000 0.932 512 K CA -0.538 55.675 56.287 -0.123 0.000 0.795 512 K CB 1.469 33.920 32.500 -0.082 0.000 1.159 512 K HN 0.730 nan 8.250 nan 0.000 0.424 513 K N 5.572 125.900 120.400 -0.119 0.000 2.274 513 K HA 0.355 4.674 4.320 -0.002 0.000 0.262 513 K C -1.453 175.107 176.600 -0.066 0.000 0.961 513 K CA -0.709 55.521 56.287 -0.095 0.000 0.833 513 K CB 1.074 33.493 32.500 -0.136 0.000 1.102 513 K HN 0.562 nan 8.250 nan 0.000 0.436 514 L N 4.486 125.690 121.223 -0.033 0.000 2.319 514 L HA 0.438 4.776 4.340 -0.002 0.000 0.281 514 L C -1.254 175.622 176.870 0.011 0.000 1.005 514 L CA -0.235 54.618 54.840 0.023 0.000 0.828 514 L CB 1.348 43.490 42.059 0.139 0.000 1.227 514 L HN 0.871 nan 8.230 nan 0.000 0.415 515 D N 2.991 123.218 120.400 -0.290 0.000 2.825 515 D HA 0.532 5.171 4.640 -0.002 0.000 0.327 515 D C -1.496 174.446 176.300 -0.597 0.000 1.277 515 D CA 0.018 53.764 54.000 -0.423 0.000 0.950 515 D CB 2.051 42.576 40.800 -0.459 0.000 1.438 515 D HN 0.206 nan 8.370 nan 0.000 0.526 516 F N -0.316 119.299 119.950 -0.559 0.000 2.643 516 F HA 0.725 5.250 4.527 -0.002 0.000 0.314 516 F C -0.833 175.040 175.800 0.122 0.000 1.096 516 F CA -1.085 56.705 58.000 -0.349 0.000 0.953 516 F CB 0.786 39.136 39.000 -1.083 0.000 1.345 516 F HN 0.319 nan 8.300 nan 0.000 0.468 517 I N -0.260 120.574 120.570 0.440 0.000 3.067 517 I HA 0.755 4.924 4.170 -0.002 0.000 0.312 517 I C -1.432 174.922 176.117 0.395 0.000 1.073 517 I CA -1.336 60.148 61.300 0.307 0.000 1.016 517 I CB 2.504 40.657 38.000 0.256 0.000 1.227 517 I HN 0.649 nan 8.210 nan 0.000 0.456 518 I N 3.548 124.282 120.570 0.273 0.000 2.418 518 I HA 0.403 4.572 4.170 -0.002 0.000 0.287 518 I C -0.940 175.316 176.117 0.233 0.000 1.008 518 I CA -0.435 61.026 61.300 0.268 0.000 1.104 518 I CB 1.825 39.944 38.000 0.199 0.000 1.264 518 I HN 0.371 nan 8.210 nan 0.000 0.438 519 L N 7.093 128.515 121.223 0.331 0.000 2.305 519 L HA 0.403 4.742 4.340 -0.002 0.000 0.284 519 L C -0.185 176.815 176.870 0.217 0.000 1.013 519 L CA -0.954 54.041 54.840 0.258 0.000 0.819 519 L CB 1.250 43.488 42.059 0.299 0.000 1.227 519 L HN 0.722 nan 8.230 nan 0.000 0.417 520 N N 4.352 123.124 118.700 0.119 0.000 2.724 520 N HA -0.285 4.454 4.740 -0.002 0.000 0.293 520 N C 0.246 175.805 175.510 0.081 0.000 1.090 520 N CA 1.028 54.127 53.050 0.081 0.000 0.793 520 N CB -0.665 37.854 38.487 0.054 0.000 0.958 520 N HN 0.882 nan 8.380 nan 0.000 0.575 521 E N -3.798 116.443 120.200 0.069 0.000 4.851 521 E HA -0.193 4.156 4.350 -0.002 0.000 0.191 521 E C -0.305 176.308 176.600 0.022 0.000 0.953 521 E CA 2.116 58.541 56.400 0.042 0.000 2.275 521 E CB -1.618 28.097 29.700 0.025 0.000 1.723 521 E HN 0.737 nan 8.360 nan 0.000 0.514 522 T N 3.370 117.940 114.554 0.027 0.000 2.882 522 T HA 0.393 4.741 4.350 -0.002 0.000 0.287 522 T C 0.317 174.912 174.700 -0.175 0.000 0.992 522 T CA -0.499 61.528 62.100 -0.122 0.000 1.076 522 T CB 1.486 70.213 68.868 -0.235 0.000 0.961 522 T HN 0.109 nan 8.240 nan 0.000 0.490 523 K N 2.201 122.422 120.400 -0.298 0.000 2.172 523 K HA 0.531 4.850 4.320 -0.002 0.000 0.276 523 K C -1.326 175.034 176.600 -0.399 0.000 1.013 523 K CA -0.534 55.624 56.287 -0.215 0.000 0.913 523 K CB 0.763 33.006 32.500 -0.427 0.000 1.055 523 K HN 0.394 nan 8.250 nan 0.000 0.461 524 F N 1.638 121.695 119.950 0.178 0.000 2.518 524 F HA 0.323 4.849 4.527 -0.002 0.000 0.323 524 F C -0.675 175.285 175.800 0.266 0.000 1.129 524 F CA -0.823 57.294 58.000 0.196 0.000 0.920 524 F CB 1.121 40.226 39.000 0.176 0.000 1.160 524 F HN 0.523 nan 8.300 nan 0.000 0.440 525 W N 3.600 125.078 121.300 0.297 0.000 2.237 525 W HA 0.481 5.140 4.660 -0.001 0.000 0.335 525 W C -0.538 176.219 176.519 0.396 0.000 1.230 525 W CA -0.507 57.028 57.345 0.316 0.000 1.253 525 W CB 0.432 29.994 29.460 0.170 0.000 1.129 525 W HN 0.441 nan 8.180 nan 0.000 0.590 526 Y N -0.529 120.134 120.300 0.605 0.000 2.625 526 Y HA 0.644 5.193 4.550 -0.001 0.000 0.338 526 Y C -1.046 175.089 175.900 0.392 0.000 1.123 526 Y CA -1.928 56.514 58.100 0.570 0.000 1.046 526 Y CB 1.075 40.030 38.460 0.825 0.000 1.299 526 Y HN 0.571 nan 8.280 nan 0.000 0.464 527 Q N 2.271 122.327 119.800 0.427 0.000 2.421 527 Q HA 0.793 5.131 4.340 -0.002 0.000 0.280 527 Q C -1.796 174.326 176.000 0.202 0.000 1.085 527 Q CA -1.189 54.734 55.803 0.201 0.000 0.807 527 Q CB 3.401 32.221 28.738 0.137 0.000 1.405 527 Q HN 0.849 nan 8.270 nan 0.000 0.419 528 M N 2.394 122.029 119.600 0.057 0.000 2.267 528 M HA 0.429 4.907 4.480 -0.002 0.000 0.289 528 M C -1.286 174.928 176.300 -0.144 0.000 1.043 528 M CA -0.905 54.359 55.300 -0.060 0.000 0.928 528 M CB 2.229 34.744 32.600 -0.142 0.000 1.613 528 M HN 0.600 nan 8.290 nan 0.000 0.450 529 I N 4.990 125.473 120.570 -0.144 0.000 2.301 529 I HA 0.344 4.512 4.170 -0.002 0.000 0.292 529 I C -0.356 175.598 176.117 -0.271 0.000 1.046 529 I CA -0.240 60.950 61.300 -0.183 0.000 1.282 529 I CB 0.237 38.150 38.000 -0.144 0.000 1.409 529 I HN 0.643 nan 8.210 nan 0.000 0.484 530 L N 8.495 129.502 121.223 -0.360 0.000 2.307 530 L HA 0.434 4.773 4.340 -0.002 0.000 0.282 530 L C -2.171 174.504 176.870 -0.327 0.000 1.051 530 L CA -1.796 52.733 54.840 -0.517 0.000 0.804 530 L CB 1.185 42.738 42.059 -0.844 0.000 1.197 530 L HN 0.258 nan 8.230 nan 0.000 0.431 531 P HA 0.073 nan 4.420 nan 0.000 0.269 531 P C -2.479 174.786 177.300 -0.057 0.000 1.217 531 P CA -0.794 62.242 63.100 -0.106 0.000 0.783 531 P CB -0.077 31.617 31.700 -0.009 0.000 0.898 532 P HA 0.041 nan 4.420 nan 0.000 0.269 532 P C -0.591 176.668 177.300 -0.068 0.000 1.209 532 P CA 0.365 63.359 63.100 -0.176 0.000 0.776 532 P CB -0.182 31.369 31.700 -0.249 0.000 0.876 533 H N -1.805 117.307 119.070 0.069 0.000 2.791 533 H HA -0.215 4.340 4.556 -0.002 0.000 0.302 533 H C -0.085 175.311 175.328 0.113 0.000 1.198 533 H CA -0.285 55.807 56.048 0.075 0.000 1.145 533 H CB -2.338 27.459 29.762 0.058 0.000 1.385 533 H HN 0.307 nan 8.280 nan 0.000 0.409 534 F N 2.400 122.355 119.950 0.008 0.000 2.612 534 F HA 0.055 4.581 4.527 -0.002 0.000 0.389 534 F C 0.597 176.418 175.800 0.036 0.000 1.055 534 F CA -0.020 57.947 58.000 -0.056 0.000 1.232 534 F CB 0.423 39.278 39.000 -0.242 0.000 1.044 534 F HN 0.270 nan 8.300 nan 0.000 0.560 535 D N 6.235 126.329 120.400 -0.509 0.000 2.453 535 D HA 0.119 4.758 4.640 -0.002 0.000 0.238 535 D C 0.664 176.583 176.300 -0.635 0.000 1.088 535 D CA -0.570 53.193 54.000 -0.395 0.000 0.854 535 D CB 1.022 41.741 40.800 -0.134 0.000 1.076 535 D HN 0.698 nan 8.370 nan 0.000 0.533 536 K N 1.134 121.167 120.400 -0.611 0.000 2.442 536 K HA -0.138 4.181 4.320 -0.002 0.000 0.199 536 K C 1.251 177.844 176.600 -0.011 0.000 1.044 536 K CA 1.219 57.327 56.287 -0.297 0.000 0.941 536 K CB -0.037 32.456 32.500 -0.010 0.000 0.759 536 K HN 0.188 nan 8.250 nan 0.000 0.472 537 S N -0.097 115.563 115.700 -0.068 0.000 2.528 537 S HA 0.046 4.515 4.470 -0.002 0.000 0.219 537 S C 0.593 175.168 174.600 -0.042 0.000 0.985 537 S CA -0.381 57.803 58.200 -0.026 0.000 0.914 537 S CB 0.036 63.211 63.200 -0.041 0.000 0.776 537 S HN 0.298 nan 8.310 nan 0.000 0.526 538 K N 1.458 121.812 120.400 -0.076 0.000 2.098 538 K HA 0.334 4.653 4.320 -0.002 0.000 0.261 538 K C -0.802 175.749 176.600 -0.083 0.000 0.987 538 K CA -0.526 55.661 56.287 -0.167 0.000 0.916 538 K CB 0.685 32.963 32.500 -0.369 0.000 1.039 538 K HN 0.098 nan 8.250 nan 0.000 0.455 539 K N 3.457 123.764 120.400 -0.156 0.000 2.292 539 K HA 0.186 4.505 4.320 -0.002 0.000 0.270 539 K C -1.205 175.330 176.600 -0.107 0.000 1.062 539 K CA -0.467 55.799 56.287 -0.034 0.000 0.916 539 K CB 0.707 33.173 32.500 -0.056 0.000 1.166 539 K HN 0.383 nan 8.250 nan 0.000 0.458 540 Y N 3.109 123.436 120.300 0.045 0.000 2.376 540 Y HA 0.255 4.803 4.550 -0.002 0.000 0.325 540 Y C -1.845 173.991 175.900 -0.105 0.000 1.199 540 Y CA -2.644 55.455 58.100 -0.001 0.000 1.206 540 Y CB 0.432 38.950 38.460 0.097 0.000 1.229 540 Y HN 0.482 nan 8.280 nan 0.000 0.480 541 P HA 0.211 nan 4.420 nan 0.000 0.274 541 P C -1.141 175.977 177.300 -0.303 0.000 1.231 541 P CA -0.238 62.566 63.100 -0.494 0.000 0.790 541 P CB 1.641 32.705 31.700 -1.059 0.000 0.951 542 L N 2.533 123.611 121.223 -0.241 0.000 2.386 542 L HA 0.532 4.871 4.340 -0.002 0.000 0.271 542 L C -1.202 175.830 176.870 0.270 0.000 0.993 542 L CA -1.043 53.819 54.840 0.037 0.000 0.819 542 L CB 1.719 43.820 42.059 0.070 0.000 1.294 542 L HN 0.256 nan 8.230 nan 0.000 0.414 543 L N 5.537 126.950 121.223 0.318 0.000 2.305 543 L HA 0.432 4.771 4.340 -0.002 0.000 0.284 543 L C -1.205 175.903 176.870 0.396 0.000 1.013 543 L CA -0.883 54.214 54.840 0.429 0.000 0.819 543 L CB 1.775 44.044 42.059 0.350 0.000 1.227 543 L HN 0.605 nan 8.230 nan 0.000 0.417 544 L N 5.267 126.772 121.223 0.471 0.000 2.268 544 L HA 0.312 4.651 4.340 -0.002 0.000 0.289 544 L C -0.222 176.891 176.870 0.404 0.000 1.064 544 L CA 0.051 55.155 54.840 0.439 0.000 0.824 544 L CB 0.723 43.081 42.059 0.499 0.000 1.202 544 L HN 0.461 nan 8.230 nan 0.000 0.433 545 D N 4.344 124.964 120.400 0.366 0.000 2.336 545 D HA 0.222 4.861 4.640 -0.002 0.000 0.249 545 D C -0.926 175.463 176.300 0.148 0.000 1.213 545 D CA 0.193 54.338 54.000 0.242 0.000 0.870 545 D CB 1.181 42.185 40.800 0.340 0.000 1.076 545 D HN 0.339 nan 8.370 nan 0.000 0.483 546 V N 5.396 125.321 119.914 0.018 0.000 2.914 546 V HA 0.460 4.579 4.120 -0.002 0.000 0.314 546 V C -1.005 175.180 176.094 0.151 0.000 1.084 546 V CA -0.450 61.923 62.300 0.122 0.000 0.963 546 V CB 1.891 33.792 31.823 0.130 0.000 1.025 546 V HN 0.648 nan 8.190 nan 0.000 0.432 547 Y N 4.512 124.883 120.300 0.118 0.000 3.266 547 Y HA 0.567 5.116 4.550 -0.002 0.000 0.189 547 Y C 1.479 177.519 175.900 0.233 0.000 0.895 547 Y CA 1.428 59.627 58.100 0.165 0.000 1.706 547 Y CB 0.070 38.607 38.460 0.128 0.000 1.449 547 Y HN 1.173 nan 8.280 nan 0.000 0.391 548 A N 0.844 123.764 122.820 0.167 0.000 2.861 548 A HA -0.156 4.163 4.320 -0.002 0.000 0.261 548 A C 1.001 178.389 177.584 -0.327 0.000 1.351 548 A CA 1.036 53.100 52.037 0.045 0.000 0.904 548 A CB -2.482 16.610 19.000 0.153 0.000 1.076 548 A HN 1.029 nan 8.150 nan 0.000 0.729 549 G N -0.911 107.406 108.800 -0.805 0.000 2.606 549 G HA2 0.468 4.427 3.960 -0.002 0.000 0.252 549 G HA3 0.468 4.427 3.960 -0.002 0.000 0.252 549 G C -2.227 172.330 174.900 -0.572 0.000 1.206 549 G CA -0.764 43.461 45.100 -1.458 0.000 0.861 549 G HN 0.291 nan 8.290 nan 0.000 0.561 550 P HA 0.069 nan 4.420 nan 0.000 0.261 550 P C 0.611 177.761 177.300 -0.250 0.000 1.183 550 P CA 0.178 62.992 63.100 -0.476 0.000 0.761 550 P CB 0.665 31.688 31.700 -1.130 0.000 0.785 551 C N 2.552 121.775 119.300 -0.129 0.000 4.465 551 C HA -0.160 4.299 4.460 -0.002 0.000 0.274 551 C C 1.013 176.005 174.990 0.003 0.000 1.337 551 C CA 1.174 60.084 59.018 -0.181 0.000 1.822 551 C CB -2.674 24.795 27.740 -0.451 0.000 1.357 551 C HN 0.793 nan 8.230 nan 0.000 0.753 552 S N 0.037 115.817 115.700 0.134 0.000 2.632 552 S HA 0.572 5.040 4.470 -0.002 0.000 0.267 552 S C -0.610 174.156 174.600 0.277 0.000 1.276 552 S CA 0.141 58.517 58.200 0.294 0.000 0.998 552 S CB 1.614 65.076 63.200 0.438 0.000 0.953 552 S HN 0.818 nan 8.310 nan 0.000 0.547 553 Q N -0.059 119.933 119.800 0.318 0.000 2.309 553 Q HA 0.351 4.690 4.340 -0.002 0.000 0.254 553 Q C -0.774 175.360 176.000 0.223 0.000 0.938 553 Q CA -0.614 55.366 55.803 0.295 0.000 0.789 553 Q CB 1.057 30.029 28.738 0.391 0.000 1.313 553 Q HN 0.705 nan 8.270 nan 0.000 0.438 554 K N 1.054 121.581 120.400 0.213 0.000 2.374 554 K HA 0.336 4.655 4.320 -0.002 0.000 0.202 554 K C -0.432 176.281 176.600 0.187 0.000 1.040 554 K CA 0.229 56.631 56.287 0.192 0.000 1.085 554 K CB 1.587 34.225 32.500 0.230 0.000 0.873 554 K HN 0.487 nan 8.250 nan 0.000 0.539 555 A N 2.715 125.655 122.820 0.200 0.000 2.277 555 A HA 0.453 4.772 4.320 -0.002 0.000 0.318 555 A C -0.831 176.833 177.584 0.133 0.000 1.339 555 A CA -0.532 51.627 52.037 0.203 0.000 0.875 555 A CB 0.215 19.398 19.000 0.305 0.000 1.158 555 A HN 0.237 nan 8.150 nan 0.000 0.514 556 D N -0.086 120.367 120.400 0.087 0.000 2.752 556 D HA 0.430 5.068 4.640 -0.002 0.000 0.313 556 D C 0.395 176.711 176.300 0.027 0.000 1.225 556 D CA 0.288 54.325 54.000 0.062 0.000 0.976 556 D CB 0.340 41.177 40.800 0.062 0.000 1.443 556 D HN 0.181 nan 8.370 nan 0.000 0.515 557 T N -2.293 112.292 114.554 0.050 0.000 3.186 557 T HA 0.319 4.668 4.350 -0.002 0.000 0.257 557 T C 0.375 175.032 174.700 -0.071 0.000 1.029 557 T CA -0.385 61.734 62.100 0.031 0.000 0.916 557 T CB -0.696 68.237 68.868 0.108 0.000 1.041 557 T HN 0.268 nan 8.240 nan 0.000 0.562 558 V N 2.571 122.334 119.914 -0.250 0.000 2.637 558 V HA 0.310 4.429 4.120 -0.002 0.000 0.296 558 V C 0.125 176.153 176.094 -0.110 0.000 1.046 558 V CA -0.915 61.199 62.300 -0.311 0.000 1.066 558 V CB 0.063 31.585 31.823 -0.501 0.000 0.968 558 V HN 0.577 nan 8.190 nan 0.000 0.483 559 F N 6.499 126.345 119.950 -0.173 0.000 2.445 559 F HA 0.551 5.077 4.527 -0.002 0.000 0.359 559 F C 0.491 176.232 175.800 -0.099 0.000 1.101 559 F CA -0.154 57.773 58.000 -0.122 0.000 1.177 559 F CB 0.211 39.147 39.000 -0.107 0.000 1.110 559 F HN 0.434 nan 8.300 nan 0.000 0.522 560 R N 5.500 125.532 120.500 -0.780 0.000 2.744 560 R HA 0.600 4.939 4.340 -0.002 0.000 0.279 560 R C -1.959 173.922 176.300 -0.698 0.000 0.977 560 R CA -1.293 54.478 56.100 -0.548 0.000 0.906 560 R CB 2.006 32.150 30.300 -0.260 0.000 1.197 560 R HN 0.481 nan 8.270 nan 0.000 0.463 561 L N 3.824 124.824 121.223 -0.372 0.000 2.366 561 L HA 0.359 4.698 4.340 -0.002 0.000 0.266 561 L C -0.918 175.942 176.870 -0.016 0.000 1.010 561 L CA -0.402 54.273 54.840 -0.274 0.000 0.879 561 L CB 0.572 42.596 42.059 -0.058 0.000 1.228 561 L HN 0.765 nan 8.230 nan 0.000 0.439 562 N N 0.487 119.114 118.700 -0.121 0.000 3.479 562 N HA 0.196 4.935 4.740 -0.002 0.000 0.336 562 N C 0.451 175.627 175.510 -0.557 0.000 1.623 562 N CA -0.766 52.145 53.050 -0.231 0.000 0.759 562 N CB -0.104 38.344 38.487 -0.065 0.000 2.016 562 N HN 0.211 nan 8.380 nan 0.000 0.637 563 W N 0.617 121.318 121.300 -0.997 0.000 2.358 563 W HA 0.176 4.835 4.660 -0.002 0.000 0.303 563 W C 2.075 178.525 176.519 -0.116 0.000 1.208 563 W CA 2.803 59.766 57.345 -0.636 0.000 1.274 563 W CB -1.033 28.209 29.460 -0.364 0.000 1.138 563 W HN 0.688 nan 8.180 nan 0.000 0.515 564 A N -0.565 122.219 122.820 -0.059 0.000 1.978 564 A HA -0.208 4.110 4.320 -0.002 0.000 0.220 564 A C 1.929 179.404 177.584 -0.182 0.000 1.170 564 A CA 2.437 54.383 52.037 -0.153 0.000 0.636 564 A CB -1.249 17.748 19.000 -0.004 0.000 0.810 564 A HN 0.300 nan 8.150 nan 0.000 0.448 565 T N -1.336 113.126 114.554 -0.154 0.000 2.746 565 T HA -0.175 4.174 4.350 -0.002 0.000 0.267 565 T C 1.795 176.506 174.700 0.019 0.000 1.039 565 T CA 1.672 63.657 62.100 -0.192 0.000 1.142 565 T CB -0.429 68.151 68.868 -0.480 0.000 0.866 565 T HN 0.698 nan 8.240 nan 0.000 0.444 566 Y N 2.112 122.470 120.300 0.098 0.000 2.163 566 Y HA 0.006 4.555 4.550 -0.002 0.000 0.288 566 Y C 1.936 177.815 175.900 -0.034 0.000 1.136 566 Y CA 0.842 59.040 58.100 0.162 0.000 1.147 566 Y CB -0.811 37.733 38.460 0.140 0.000 0.987 566 Y HN 0.104 nan 8.280 nan 0.000 0.509 567 L N 0.330 121.092 121.223 -0.769 0.000 2.043 567 L HA -0.263 4.075 4.340 -0.002 0.000 0.212 567 L C 2.822 179.437 176.870 -0.425 0.000 1.075 567 L CA 1.513 55.864 54.840 -0.816 0.000 0.752 567 L CB -1.081 40.558 42.059 -0.700 0.000 0.891 567 L HN 0.426 nan 8.230 nan 0.000 0.432 568 A N -1.207 121.447 122.820 -0.278 0.000 1.872 568 A HA -0.180 4.139 4.320 -0.002 0.000 0.214 568 A C 2.521 180.038 177.584 -0.111 0.000 1.187 568 A CA 1.752 53.685 52.037 -0.173 0.000 0.614 568 A CB -0.660 18.235 19.000 -0.175 0.000 0.826 568 A HN 0.339 nan 8.150 nan 0.000 0.442 569 S N -1.137 114.515 115.700 -0.080 0.000 2.345 569 S HA -0.125 4.344 4.470 -0.002 0.000 0.220 569 S C 2.028 176.648 174.600 0.033 0.000 1.031 569 S CA 2.316 60.518 58.200 0.003 0.000 0.996 569 S CB -0.448 62.807 63.200 0.092 0.000 0.882 569 S HN 0.575 nan 8.310 nan 0.000 0.445 570 T N 1.245 115.806 114.554 0.012 0.000 2.939 570 T HA 0.166 4.515 4.350 -0.002 0.000 0.254 570 T C 1.438 176.120 174.700 -0.030 0.000 1.041 570 T CA 0.636 62.763 62.100 0.046 0.000 1.142 570 T CB -0.115 68.877 68.868 0.207 0.000 0.874 570 T HN 0.307 nan 8.240 nan 0.000 0.452 571 E N 1.187 121.273 120.200 -0.190 0.000 2.474 571 E HA 0.161 4.510 4.350 -0.002 0.000 0.194 571 E C 0.063 176.645 176.600 -0.030 0.000 1.041 571 E CA -0.050 56.275 56.400 -0.124 0.000 0.874 571 E CB -0.292 29.259 29.700 -0.247 0.000 0.914 571 E HN 0.545 nan 8.360 nan 0.000 0.498 572 N N 0.469 119.163 118.700 -0.011 0.000 2.754 572 N HA -0.184 4.554 4.740 -0.002 0.000 0.248 572 N C -0.792 174.798 175.510 0.133 0.000 1.093 572 N CA 0.223 53.335 53.050 0.103 0.000 0.699 572 N CB -1.236 37.356 38.487 0.175 0.000 1.016 572 N HN 0.189 nan 8.380 nan 0.000 0.552 573 I N 0.885 121.459 120.570 0.007 0.000 2.412 573 I HA 0.368 4.537 4.170 -0.002 0.000 0.296 573 I C 0.592 176.678 176.117 -0.052 0.000 0.987 573 I CA -0.836 60.471 61.300 0.013 0.000 1.180 573 I CB 1.386 39.401 38.000 0.026 0.000 1.340 573 I HN 0.018 nan 8.210 nan 0.000 0.455 574 I N 6.186 126.733 120.570 -0.038 0.000 2.371 574 I HA 0.184 4.353 4.170 -0.002 0.000 0.290 574 I C -0.456 175.640 176.117 -0.035 0.000 1.028 574 I CA -0.475 60.762 61.300 -0.106 0.000 1.345 574 I CB 1.161 39.104 38.000 -0.095 0.000 1.407 574 I HN 0.192 nan 8.210 nan 0.000 0.501 575 V N 6.772 126.654 119.914 -0.054 0.000 2.334 575 V HA 0.580 4.699 4.120 -0.002 0.000 0.281 575 V C 0.363 176.485 176.094 0.046 0.000 1.016 575 V CA -0.434 61.888 62.300 0.036 0.000 0.832 575 V CB 1.082 32.920 31.823 0.025 0.000 0.999 575 V HN 0.838 nan 8.190 nan 0.000 0.439 576 A N 4.002 126.881 122.820 0.097 0.000 2.330 576 A HA 0.951 5.270 4.320 -0.002 0.000 0.329 576 A C -0.118 177.630 177.584 0.274 0.000 1.135 576 A CA -0.508 51.590 52.037 0.103 0.000 0.817 576 A CB 1.661 20.578 19.000 -0.139 0.000 1.269 576 A HN 0.673 nan 8.150 nan 0.000 0.469 577 S N -0.306 115.605 115.700 0.352 0.000 2.549 577 S HA 0.729 5.197 4.470 -0.002 0.000 0.280 577 S C -1.494 173.470 174.600 0.606 0.000 1.109 577 S CA -0.297 58.154 58.200 0.418 0.000 0.905 577 S CB 1.311 64.694 63.200 0.306 0.000 1.081 577 S HN 0.758 nan 8.310 nan 0.000 0.477 578 F N 1.852 122.044 119.950 0.404 0.000 2.556 578 F HA 0.505 5.032 4.527 -0.001 0.000 0.314 578 F C -1.492 174.516 175.800 0.347 0.000 1.106 578 F CA -0.793 57.467 58.000 0.434 0.000 0.911 578 F CB 1.516 40.740 39.000 0.372 0.000 1.190 578 F HN 0.386 nan 8.300 nan 0.000 0.448 579 D N 4.530 124.712 120.400 -0.363 0.000 2.473 579 D HA 0.367 5.006 4.640 -0.002 0.000 0.226 579 D C 0.353 176.337 176.300 -0.527 0.000 1.089 579 D CA 0.111 53.975 54.000 -0.228 0.000 0.883 579 D CB 1.435 42.276 40.800 0.067 0.000 1.029 579 D HN 0.770 nan 8.370 nan 0.000 0.517 580 G N 1.216 109.763 108.800 -0.421 0.000 2.641 580 G HA2 0.292 4.250 3.960 -0.002 0.000 0.239 580 G HA3 0.292 4.250 3.960 -0.002 0.000 0.239 580 G C 0.188 175.073 174.900 -0.024 0.000 1.402 580 G CA -0.712 44.178 45.100 -0.349 0.000 1.046 580 G HN 0.285 nan 8.290 nan 0.000 0.565 581 R N -0.794 119.669 120.500 -0.063 0.000 2.640 581 R HA 0.342 4.681 4.340 -0.002 0.000 0.270 581 R C 1.315 177.694 176.300 0.133 0.000 1.024 581 R CA 1.533 57.706 56.100 0.121 0.000 1.085 581 R CB 0.355 30.706 30.300 0.085 0.000 0.963 581 R HN 1.071 nan 8.270 nan 0.000 0.426 582 G N 1.176 110.058 108.800 0.135 0.000 2.258 582 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.233 582 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.233 582 G C 0.277 175.206 174.900 0.048 0.000 1.006 582 G CA 0.122 45.281 45.100 0.098 0.000 0.620 582 G HN 0.591 nan 8.290 nan 0.000 0.511 583 S N 0.847 116.588 115.700 0.069 0.000 2.569 583 S HA 0.502 4.970 4.470 -0.002 0.000 0.274 583 S C 1.019 175.612 174.600 -0.012 0.000 1.353 583 S CA 0.546 58.782 58.200 0.060 0.000 1.023 583 S CB 0.911 64.179 63.200 0.114 0.000 0.876 583 S HN 1.332 nan 8.310 nan 0.000 0.540 584 G N -0.133 108.624 108.800 -0.073 0.000 2.601 584 G HA2 0.516 4.475 3.960 -0.002 0.000 0.317 584 G HA3 0.516 4.475 3.960 -0.002 0.000 0.317 584 G C -1.043 173.718 174.900 -0.232 0.000 1.246 584 G CA -0.671 44.229 45.100 -0.334 0.000 1.012 584 G HN 0.811 nan 8.290 nan 0.000 0.494 585 Y N -2.398 117.900 120.300 -0.004 0.000 4.798 585 Y HA -0.216 4.333 4.550 -0.002 0.000 0.237 585 Y C 1.412 177.306 175.900 -0.009 0.000 1.017 585 Y CA 1.089 59.189 58.100 -0.001 0.000 2.010 585 Y CB -2.106 36.372 38.460 0.030 0.000 1.582 585 Y HN 0.539 nan 8.280 nan 0.000 0.621 586 Q N -0.015 119.791 119.800 0.011 0.000 2.112 586 Q HA 0.509 4.848 4.340 -0.002 0.000 0.222 586 Q C 0.920 176.781 176.000 -0.231 0.000 0.798 586 Q CA 0.221 56.029 55.803 0.009 0.000 1.060 586 Q CB 1.590 30.338 28.738 0.016 0.000 1.184 586 Q HN 0.573 nan 8.270 nan 0.000 0.475 587 G N 0.734 109.264 108.800 -0.450 0.000 2.690 587 G HA2 -0.184 3.775 3.960 -0.002 0.000 0.686 587 G HA3 -0.184 3.775 3.960 -0.002 0.000 0.686 587 G C -0.466 174.055 174.900 -0.631 0.000 1.277 587 G CA -0.545 44.008 45.100 -0.912 0.000 0.799 587 G HN 0.127 nan 8.290 nan 0.000 0.613 588 D N -0.038 119.954 120.400 -0.680 0.000 2.224 588 D HA -0.048 4.591 4.640 -0.002 0.000 0.205 588 D C 2.211 178.244 176.300 -0.445 0.000 0.965 588 D CA 1.231 54.805 54.000 -0.710 0.000 0.852 588 D CB 0.020 40.324 40.800 -0.827 0.000 0.947 588 D HN 0.610 nan 8.370 nan 0.000 0.494 589 K N 0.580 120.776 120.400 -0.339 0.000 2.063 589 K HA -0.137 4.182 4.320 -0.002 0.000 0.208 589 K C 2.006 178.543 176.600 -0.105 0.000 1.048 589 K CA 0.962 57.142 56.287 -0.177 0.000 0.928 589 K CB -0.035 32.379 32.500 -0.143 0.000 0.713 589 K HN 0.113 nan 8.250 nan 0.000 0.442 590 I N 0.245 120.740 120.570 -0.126 0.000 2.296 590 I HA -0.207 3.962 4.170 -0.002 0.000 0.242 590 I C 2.643 178.762 176.117 0.004 0.000 1.087 590 I CA 0.793 62.091 61.300 -0.003 0.000 1.393 590 I CB -0.123 37.884 38.000 0.011 0.000 1.093 590 I HN 0.278 nan 8.210 nan 0.000 0.421 591 M N 0.197 119.731 119.600 -0.110 0.000 2.117 591 M HA -0.255 4.224 4.480 -0.002 0.000 0.262 591 M C 1.912 178.267 176.300 0.091 0.000 1.065 591 M CA 2.035 57.301 55.300 -0.057 0.000 1.114 591 M CB -0.354 32.119 32.600 -0.212 0.000 1.361 591 M HN 0.271 nan 8.290 nan 0.000 0.408 592 H N -0.674 118.300 119.070 -0.160 0.000 2.547 592 H HA 0.160 4.715 4.556 -0.002 0.000 0.266 592 H C 1.852 177.197 175.328 0.028 0.000 0.988 592 H CA 0.078 56.035 56.048 -0.152 0.000 1.147 592 H CB 0.139 29.718 29.762 -0.306 0.000 1.365 592 H HN 0.543 nan 8.280 nan 0.000 0.589 593 A N 1.540 124.468 122.820 0.180 0.000 1.978 593 A HA -0.141 4.177 4.320 -0.002 0.000 0.220 593 A C 2.053 179.843 177.584 0.344 0.000 1.170 593 A CA 1.144 53.307 52.037 0.210 0.000 0.636 593 A CB -0.635 18.454 19.000 0.148 0.000 0.810 593 A HN 0.575 nan 8.150 nan 0.000 0.448 594 I N -3.071 117.673 120.570 0.290 0.000 3.861 594 I HA 0.155 4.324 4.170 -0.002 0.000 0.329 594 I C 0.393 176.596 176.117 0.144 0.000 1.321 594 I CA -0.490 60.936 61.300 0.210 0.000 1.126 594 I CB -0.624 37.467 38.000 0.151 0.000 1.018 594 I HN 0.200 nan 8.210 nan 0.000 0.407 595 N N 3.058 121.882 118.700 0.207 0.000 2.357 595 N HA -0.083 4.655 4.740 -0.002 0.000 0.257 595 N C 0.240 175.776 175.510 0.042 0.000 1.250 595 N CA 0.361 53.527 53.050 0.193 0.000 0.862 595 N CB 0.351 38.904 38.487 0.110 0.000 1.066 595 N HN 0.411 nan 8.380 nan 0.000 0.468 596 R N 0.678 121.185 120.500 0.011 0.000 4.000 596 R HA -0.166 4.172 4.340 -0.002 0.000 0.348 596 R C -0.344 175.826 176.300 -0.215 0.000 1.204 596 R CA 0.850 56.909 56.100 -0.068 0.000 0.987 596 R CB -0.768 29.506 30.300 -0.043 0.000 1.446 596 R HN 0.643 nan 8.270 nan 0.000 0.555 597 R N 0.515 120.878 120.500 -0.227 0.000 2.647 597 R HA 0.267 4.606 4.340 -0.002 0.000 0.295 597 R C -0.256 176.003 176.300 -0.068 0.000 1.267 597 R CA -0.282 55.541 56.100 -0.462 0.000 1.386 597 R CB 0.379 30.377 30.300 -0.504 0.000 1.309 597 R HN 0.096 nan 8.270 nan 0.000 0.692 598 L N -0.187 121.081 121.223 0.076 0.000 2.467 598 L HA 0.184 4.523 4.340 -0.002 0.000 0.270 598 L C 1.384 178.493 176.870 0.400 0.000 1.205 598 L CA 0.878 55.799 54.840 0.136 0.000 0.828 598 L CB 0.427 42.357 42.059 -0.216 0.000 1.101 598 L HN 0.707 nan 8.230 nan 0.000 0.479 599 G N 0.702 109.769 108.800 0.446 0.000 2.147 599 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.244 599 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.244 599 G C 0.416 175.402 174.900 0.144 0.000 1.005 599 G CA 0.568 45.876 45.100 0.346 0.000 0.713 599 G HN 0.855 nan 8.290 nan 0.000 0.515 600 T N -3.566 111.032 114.554 0.074 0.000 2.995 600 T HA 0.479 4.828 4.350 -0.002 0.000 0.170 600 T C 1.624 176.311 174.700 -0.021 0.000 0.844 600 T CA 0.871 62.916 62.100 -0.091 0.000 1.137 600 T CB -0.052 68.576 68.868 -0.399 0.000 2.193 600 T HN 0.164 nan 8.240 nan 0.000 0.384 601 F N 3.492 123.481 119.950 0.064 0.000 2.161 601 F HA 0.043 4.569 4.527 -0.002 0.000 0.300 601 F C 2.787 178.615 175.800 0.048 0.000 1.089 601 F CA 1.242 59.267 58.000 0.042 0.000 1.282 601 F CB -0.747 38.273 39.000 0.034 0.000 1.010 601 F HN 0.543 nan 8.300 nan 0.000 0.485 602 E N 1.111 121.460 120.200 0.248 0.000 2.204 602 E HA -0.142 4.207 4.350 -0.002 0.000 0.194 602 E C 2.240 178.941 176.600 0.169 0.000 0.989 602 E CA 1.614 58.131 56.400 0.196 0.000 0.824 602 E CB -1.094 28.720 29.700 0.190 0.000 0.756 602 E HN 0.377 nan 8.360 nan 0.000 0.477 603 V N 0.216 120.207 119.914 0.128 0.000 2.446 603 V HA -0.082 4.036 4.120 -0.002 0.000 0.244 603 V C 1.973 178.103 176.094 0.061 0.000 1.039 603 V CA 1.567 63.901 62.300 0.057 0.000 1.045 603 V CB -0.271 31.528 31.823 -0.040 0.000 0.681 603 V HN 0.084 nan 8.190 nan 0.000 0.459 604 E N 0.357 120.608 120.200 0.086 0.000 2.118 604 E HA -0.231 4.118 4.350 -0.002 0.000 0.195 604 E C 1.903 178.539 176.600 0.060 0.000 0.992 604 E CA 1.777 58.225 56.400 0.081 0.000 0.804 604 E CB -0.203 29.579 29.700 0.137 0.000 0.741 604 E HN 0.650 nan 8.360 nan 0.000 0.458 605 D N 0.254 120.707 120.400 0.089 0.000 2.219 605 D HA -0.118 4.521 4.640 -0.002 0.000 0.205 605 D C 1.934 178.255 176.300 0.036 0.000 0.970 605 D CA 0.695 54.735 54.000 0.067 0.000 0.851 605 D CB -0.056 40.830 40.800 0.143 0.000 0.943 605 D HN 0.120 nan 8.370 nan 0.000 0.488 606 Q N 0.110 119.980 119.800 0.116 0.000 2.123 606 Q HA -0.005 4.334 4.340 -0.002 0.000 0.199 606 Q C 2.519 178.561 176.000 0.070 0.000 0.966 606 Q CA 0.450 56.324 55.803 0.119 0.000 0.845 606 Q CB 0.034 28.860 28.738 0.147 0.000 0.907 606 Q HN 0.426 nan 8.270 nan 0.000 0.439 607 I N 0.661 121.285 120.570 0.088 0.000 2.202 607 I HA -0.247 3.922 4.170 -0.002 0.000 0.242 607 I C 2.403 178.485 176.117 -0.057 0.000 1.091 607 I CA 1.138 62.535 61.300 0.162 0.000 1.368 607 I CB -0.224 37.855 38.000 0.130 0.000 1.058 607 I HN 0.130 nan 8.210 nan 0.000 0.410 608 E N 1.636 121.750 120.200 -0.143 0.000 2.118 608 E HA -0.214 4.135 4.350 -0.002 0.000 0.195 608 E C 2.078 178.391 176.600 -0.478 0.000 0.992 608 E CA 1.776 58.027 56.400 -0.249 0.000 0.804 608 E CB -0.194 29.382 29.700 -0.208 0.000 0.741 608 E HN 0.418 nan 8.360 nan 0.000 0.458 609 A N 0.783 123.162 122.820 -0.734 0.000 1.877 609 A HA -0.039 4.280 4.320 -0.002 0.000 0.216 609 A C 2.472 179.312 177.584 -1.240 0.000 1.186 609 A CA 2.199 53.449 52.037 -1.311 0.000 0.620 609 A CB -1.091 16.839 19.000 -1.784 0.000 0.822 609 A HN 0.393 nan 8.150 nan 0.000 0.443 610 A N -0.600 121.875 122.820 -0.576 0.000 1.933 610 A HA -0.167 4.152 4.320 -0.002 0.000 0.218 610 A C 2.253 179.640 177.584 -0.328 0.000 1.175 610 A CA 1.590 53.459 52.037 -0.280 0.000 0.628 610 A CB -0.484 18.430 19.000 -0.142 0.000 0.814 610 A HN 0.524 nan 8.150 nan 0.000 0.444 611 R N -0.652 119.644 120.500 -0.340 0.000 2.081 611 R HA -0.151 4.188 4.340 -0.002 0.000 0.235 611 R C 2.454 178.594 176.300 -0.267 0.000 1.131 611 R CA 1.787 57.728 56.100 -0.266 0.000 0.960 611 R CB -0.238 29.932 30.300 -0.217 0.000 0.856 611 R HN 0.694 nan 8.270 nan 0.000 0.436 612 Q N -0.845 118.729 119.800 -0.377 0.000 2.172 612 Q HA -0.114 4.224 4.340 -0.002 0.000 0.200 612 Q C 1.888 177.757 176.000 -0.218 0.000 0.964 612 Q CA 0.983 56.597 55.803 -0.316 0.000 0.855 612 Q CB -0.001 28.509 28.738 -0.380 0.000 0.918 612 Q HN 0.261 nan 8.270 nan 0.000 0.444 613 F N 1.427 121.208 119.950 -0.281 0.000 2.102 613 F HA -0.155 4.371 4.527 -0.002 0.000 0.298 613 F C 2.693 178.314 175.800 -0.300 0.000 1.105 613 F CA 1.348 59.172 58.000 -0.294 0.000 1.239 613 F CB -1.260 37.606 39.000 -0.224 0.000 0.991 613 F HN 0.053 nan 8.300 nan 0.000 0.474 614 S N -0.813 114.855 115.700 -0.053 0.000 2.584 614 S HA -0.096 4.373 4.470 -0.002 0.000 0.240 614 S C 1.352 175.860 174.600 -0.154 0.000 0.975 614 S CA 0.720 58.848 58.200 -0.120 0.000 0.949 614 S CB -0.385 62.733 63.200 -0.137 0.000 0.761 614 S HN 0.236 nan 8.310 nan 0.000 0.536 615 K N 0.025 120.325 120.400 -0.166 0.000 2.413 615 K HA 0.396 4.714 4.320 -0.002 0.000 0.204 615 K C 0.819 177.307 176.600 -0.187 0.000 1.041 615 K CA -0.001 56.193 56.287 -0.157 0.000 1.082 615 K CB 0.098 32.521 32.500 -0.128 0.000 0.871 615 K HN 0.475 nan 8.250 nan 0.000 0.535 616 M N -0.750 118.668 119.600 -0.304 0.000 2.558 616 M HA 0.019 4.498 4.480 -0.002 0.000 0.255 616 M C 1.152 177.212 176.300 -0.400 0.000 1.113 616 M CA 1.100 56.171 55.300 -0.380 0.000 1.097 616 M CB 0.311 32.546 32.600 -0.609 0.000 1.426 616 M HN 0.381 nan 8.290 nan 0.000 0.488 617 G N 0.691 109.267 108.800 -0.373 0.000 2.313 617 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.215 617 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.215 617 G C 0.454 175.301 174.900 -0.087 0.000 1.023 617 G CA 0.131 45.126 45.100 -0.175 0.000 0.626 617 G HN 0.528 nan 8.290 nan 0.000 0.503 618 F N 1.110 121.113 119.950 0.088 0.000 2.668 618 F HA 0.792 5.318 4.527 -0.001 0.000 0.297 618 F C 0.055 175.970 175.800 0.192 0.000 1.124 618 F CA -1.331 56.758 58.000 0.149 0.000 1.353 618 F CB 0.167 39.314 39.000 0.245 0.000 0.992 618 F HN 0.092 nan 8.300 nan 0.000 0.524 619 V N 1.109 121.018 119.914 -0.009 0.000 2.540 619 V HA 0.239 4.358 4.120 -0.002 0.000 0.302 619 V C -0.846 175.231 176.094 -0.029 0.000 1.035 619 V CA -0.810 61.507 62.300 0.027 0.000 0.873 619 V CB 1.818 33.598 31.823 -0.071 0.000 0.992 619 V HN 0.078 nan 8.190 nan 0.000 0.428 620 D N 3.526 123.907 120.400 -0.032 0.000 2.374 620 D HA 0.078 4.717 4.640 -0.002 0.000 0.240 620 D C 1.126 177.373 176.300 -0.089 0.000 1.229 620 D CA -0.310 53.645 54.000 -0.074 0.000 0.895 620 D CB 0.723 41.461 40.800 -0.104 0.000 1.046 620 D HN 0.641 nan 8.370 nan 0.000 0.498 621 N N 3.195 121.843 118.700 -0.086 0.000 2.609 621 N HA -0.153 4.585 4.740 -0.002 0.000 0.190 621 N C 0.766 176.228 175.510 -0.080 0.000 1.157 621 N CA 0.773 53.765 53.050 -0.096 0.000 0.918 621 N CB -0.074 38.352 38.487 -0.100 0.000 0.978 621 N HN 0.367 nan 8.380 nan 0.000 0.448 622 K N -0.348 120.013 120.400 -0.064 0.000 2.379 622 K HA 0.194 4.513 4.320 -0.002 0.000 0.194 622 K C 0.142 176.737 176.600 -0.008 0.000 1.031 622 K CA 0.156 56.422 56.287 -0.034 0.000 1.037 622 K CB 0.446 32.929 32.500 -0.029 0.000 0.824 622 K HN 0.142 nan 8.250 nan 0.000 0.516 623 R N 1.264 121.730 120.500 -0.056 0.000 2.681 623 R HA 0.354 4.693 4.340 -0.002 0.000 0.277 623 R C -1.011 175.234 176.300 -0.092 0.000 1.563 623 R CA -0.128 55.930 56.100 -0.070 0.000 1.673 623 R CB 0.609 30.711 30.300 -0.330 0.000 1.258 623 R HN -0.013 nan 8.270 nan 0.000 0.650 624 I N 1.146 121.786 120.570 0.116 0.000 2.406 624 I HA 0.546 4.715 4.170 -0.002 0.000 0.290 624 I C 0.017 176.407 176.117 0.454 0.000 0.999 624 I CA -0.690 60.713 61.300 0.172 0.000 1.124 624 I CB 1.906 39.846 38.000 -0.100 0.000 1.289 624 I HN 0.314 nan 8.210 nan 0.000 0.441 625 A N 7.037 130.248 122.820 0.653 0.000 2.387 625 A HA 0.939 5.258 4.320 -0.002 0.000 0.298 625 A C -1.117 176.848 177.584 0.635 0.000 1.165 625 A CA -0.667 51.744 52.037 0.623 0.000 0.814 625 A CB 2.096 21.344 19.000 0.413 0.000 1.357 625 A HN 0.728 nan 8.150 nan 0.000 0.443 626 I N 0.135 120.982 120.570 0.462 0.000 2.752 626 I HA 0.680 4.849 4.170 -0.002 0.000 0.295 626 I C -2.031 174.341 176.117 0.425 0.000 1.219 626 I CA -0.535 60.967 61.300 0.336 0.000 1.030 626 I CB 1.662 39.588 38.000 -0.123 0.000 1.259 626 I HN 0.947 nan 8.210 nan 0.000 0.423 627 W N 7.047 128.479 121.300 0.220 0.000 3.213 627 W HA 0.858 5.517 4.660 -0.002 0.000 0.318 627 W C -1.459 175.213 176.519 0.256 0.000 1.248 627 W CA -0.988 56.496 57.345 0.233 0.000 1.187 627 W CB 1.093 30.739 29.460 0.311 0.000 1.403 627 W HN 0.839 nan 8.180 nan 0.000 0.556 628 G N 0.902 109.635 108.800 -0.111 0.000 2.646 628 G HA2 0.492 4.451 3.960 -0.002 0.000 0.291 628 G HA3 0.492 4.451 3.960 -0.002 0.000 0.291 628 G C -2.805 172.056 174.900 -0.065 0.000 1.445 628 G CA -0.728 44.168 45.100 -0.339 0.000 0.814 628 G HN 0.589 nan 8.290 nan 0.000 0.495 629 W N 1.076 122.273 121.300 -0.171 0.000 2.656 629 W HA 0.576 5.235 4.660 -0.002 0.000 0.327 629 W C 0.798 177.391 176.519 0.122 0.000 1.041 629 W CA 0.328 57.667 57.345 -0.010 0.000 1.229 629 W CB 1.808 31.264 29.460 -0.006 0.000 1.397 629 W HN 1.190 nan 8.180 nan 0.000 0.479 630 S N 3.167 119.134 115.700 0.445 0.000 4.151 630 S HA -0.434 4.035 4.470 -0.002 0.000 0.603 630 S C 1.201 175.898 174.600 0.163 0.000 1.878 630 S CA 1.946 60.381 58.200 0.392 0.000 4.246 630 S CB -1.847 61.748 63.200 0.657 0.000 0.211 630 S HN 0.716 nan 8.310 nan 0.000 0.469 631 Y N 2.541 122.859 120.300 0.030 0.000 2.207 631 Y HA 0.042 4.590 4.550 -0.002 0.000 0.287 631 Y C 2.413 178.260 175.900 -0.088 0.000 1.156 631 Y CA 2.565 60.577 58.100 -0.147 0.000 1.182 631 Y CB -1.023 37.094 38.460 -0.571 0.000 0.979 631 Y HN 0.517 nan 8.280 nan 0.000 0.521 632 G N -1.209 107.665 108.800 0.123 0.000 2.443 632 G HA2 -0.181 3.778 3.960 -0.002 0.000 0.219 632 G HA3 -0.181 3.778 3.960 -0.002 0.000 0.219 632 G C 1.891 176.836 174.900 0.075 0.000 1.131 632 G CA 0.674 45.848 45.100 0.124 0.000 0.775 632 G HN 0.567 nan 8.290 nan 0.000 0.547 633 G N -0.255 108.596 108.800 0.084 0.000 2.403 633 G HA2 -0.181 3.778 3.960 -0.002 0.000 0.216 633 G HA3 -0.181 3.778 3.960 -0.002 0.000 0.216 633 G C 1.564 176.493 174.900 0.047 0.000 1.154 633 G CA 0.987 46.118 45.100 0.051 0.000 0.784 633 G HN 0.404 nan 8.290 nan 0.000 0.538 634 Y N 1.402 121.608 120.300 -0.157 0.000 2.133 634 Y HA -0.089 4.460 4.550 -0.001 0.000 0.287 634 Y C 2.738 178.546 175.900 -0.154 0.000 1.134 634 Y CA 1.485 59.437 58.100 -0.246 0.000 1.133 634 Y CB -0.471 37.682 38.460 -0.512 0.000 0.987 634 Y HN 0.019 nan 8.280 nan 0.000 0.502 635 V N -0.261 119.531 119.914 -0.204 0.000 2.343 635 V HA -0.320 3.799 4.120 -0.002 0.000 0.247 635 V C 2.322 178.305 176.094 -0.186 0.000 1.051 635 V CA 2.418 64.589 62.300 -0.216 0.000 1.036 635 V CB -1.191 30.652 31.823 0.034 0.000 0.654 635 V HN 0.485 nan 8.190 nan 0.000 0.451 636 T N -0.144 114.356 114.554 -0.089 0.000 2.684 636 T HA -0.195 4.153 4.350 -0.002 0.000 0.267 636 T C 2.144 176.791 174.700 -0.088 0.000 1.036 636 T CA 2.014 64.073 62.100 -0.068 0.000 1.148 636 T CB -0.264 68.644 68.868 0.066 0.000 0.863 636 T HN 0.521 nan 8.240 nan 0.000 0.436 637 S N 0.998 116.679 115.700 -0.032 0.000 2.368 637 S HA -0.012 4.457 4.470 -0.002 0.000 0.224 637 S C 2.122 176.640 174.600 -0.136 0.000 1.029 637 S CA 0.898 59.105 58.200 0.011 0.000 0.988 637 S CB -0.262 62.994 63.200 0.093 0.000 0.838 637 S HN 0.308 nan 8.310 nan 0.000 0.462 638 M N 0.903 120.329 119.600 -0.291 0.000 2.159 638 M HA -0.011 4.468 4.480 -0.002 0.000 0.263 638 M C 2.182 178.321 176.300 -0.269 0.000 1.063 638 M CA 1.046 56.154 55.300 -0.320 0.000 1.110 638 M CB -1.379 30.922 32.600 -0.498 0.000 1.374 638 M HN 0.175 nan 8.290 nan 0.000 0.411 639 V N 0.449 120.194 119.914 -0.282 0.000 2.307 639 V HA -0.217 3.901 4.120 -0.002 0.000 0.245 639 V C 2.483 178.378 176.094 -0.333 0.000 1.045 639 V CA 1.254 63.383 62.300 -0.285 0.000 1.024 639 V CB -0.585 30.993 31.823 -0.409 0.000 0.651 639 V HN 0.395 nan 8.190 nan 0.000 0.449 640 L N 0.410 121.374 121.223 -0.432 0.000 2.191 640 L HA -0.062 4.277 4.340 -0.002 0.000 0.212 640 L C 2.123 178.436 176.870 -0.929 0.000 1.103 640 L CA 1.482 55.966 54.840 -0.593 0.000 0.769 640 L CB -0.643 41.027 42.059 -0.649 0.000 0.908 640 L HN 0.495 nan 8.230 nan 0.000 0.438 641 G N -1.559 106.732 108.800 -0.849 0.000 3.337 641 G HA2 -0.014 3.945 3.960 -0.002 0.000 0.246 641 G HA3 -0.014 3.945 3.960 -0.002 0.000 0.246 641 G C 1.417 176.160 174.900 -0.261 0.000 1.131 641 G CA 0.531 45.243 45.100 -0.647 0.000 0.773 641 G HN 0.400 nan 8.290 nan 0.000 0.544 642 S N -0.616 114.951 115.700 -0.222 0.000 2.489 642 S HA 0.285 4.754 4.470 -0.002 0.000 0.228 642 S C 1.977 176.531 174.600 -0.077 0.000 0.995 642 S CA 1.048 59.180 58.200 -0.113 0.000 0.934 642 S CB -0.124 63.027 63.200 -0.081 0.000 0.771 642 S HN 1.367 nan 8.310 nan 0.000 0.522 643 G N 1.347 110.089 108.800 -0.097 0.000 2.143 643 G HA2 -0.348 3.610 3.960 -0.002 0.000 0.248 643 G HA3 -0.348 3.610 3.960 -0.002 0.000 0.248 643 G C 0.997 175.882 174.900 -0.024 0.000 0.991 643 G CA 0.997 46.063 45.100 -0.056 0.000 0.689 643 G HN 1.269 nan 8.290 nan 0.000 0.522 644 S N -0.541 115.155 115.700 -0.007 0.000 2.402 644 S HA 0.275 4.744 4.470 -0.002 0.000 0.229 644 S C 2.617 177.224 174.600 0.012 0.000 1.021 644 S CA 1.800 60.010 58.200 0.017 0.000 0.974 644 S CB -0.342 62.898 63.200 0.066 0.000 0.800 644 S HN 2.431 nan 8.310 nan 0.000 0.484 645 G N -0.018 108.797 108.800 0.026 0.000 2.184 645 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.264 645 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.264 645 G C 0.797 175.691 174.900 -0.009 0.000 0.975 645 G CA 0.455 45.563 45.100 0.013 0.000 0.642 645 G HN 0.755 nan 8.290 nan 0.000 0.536 646 V N -0.486 119.410 119.914 -0.030 0.000 2.548 646 V HA 0.200 4.319 4.120 -0.002 0.000 0.249 646 V C 1.222 177.071 176.094 -0.409 0.000 1.055 646 V CA 1.533 63.680 62.300 -0.255 0.000 1.065 646 V CB -0.433 31.140 31.823 -0.417 0.000 0.681 646 V HN 0.324 nan 8.190 nan 0.000 0.462 647 F N -0.224 119.738 119.950 0.020 0.000 2.443 647 F HA 0.413 4.939 4.527 -0.001 0.000 0.335 647 F C 1.070 176.913 175.800 0.072 0.000 1.104 647 F CA -0.726 57.314 58.000 0.066 0.000 1.013 647 F CB 1.416 40.460 39.000 0.073 0.000 1.136 647 F HN -0.270 nan 8.300 nan 0.000 0.470 648 K N 1.490 122.047 120.400 0.261 0.000 2.137 648 K HA 0.108 4.426 4.320 -0.002 0.000 0.202 648 K C -0.089 176.642 176.600 0.218 0.000 1.052 648 K CA 0.914 57.321 56.287 0.200 0.000 0.961 648 K CB 0.253 32.869 32.500 0.193 0.000 0.741 648 K HN 0.806 nan 8.250 nan 0.000 0.452 649 c N -2.793 115.977 118.600 0.283 0.000 3.318 649 c HA 0.905 5.474 4.570 -0.002 0.000 0.322 649 c C -0.237 174.085 174.090 0.387 0.000 1.398 649 c CA -0.592 55.925 56.329 0.313 0.000 1.339 649 c CB 1.112 43.727 42.510 0.175 0.000 1.668 649 c HN 0.347 nan 8.230 nan 0.000 0.462 650 G N -0.068 109.028 108.800 0.494 0.000 2.632 650 G HA2 0.699 4.658 3.960 -0.002 0.000 0.292 650 G HA3 0.699 4.658 3.960 -0.002 0.000 0.292 650 G C -2.016 173.116 174.900 0.387 0.000 1.465 650 G CA -0.682 44.676 45.100 0.431 0.000 0.824 650 G HN 1.006 nan 8.290 nan 0.000 0.509 651 I N 0.756 121.520 120.570 0.323 0.000 2.466 651 I HA 0.615 4.784 4.170 -0.002 0.000 0.289 651 I C 0.154 176.386 176.117 0.192 0.000 1.026 651 I CA -0.968 60.404 61.300 0.120 0.000 1.078 651 I CB 2.237 40.300 38.000 0.105 0.000 1.249 651 I HN 0.658 nan 8.210 nan 0.000 0.429 652 A N 6.558 129.380 122.820 0.003 0.000 2.304 652 A HA 0.783 5.102 4.320 -0.002 0.000 0.314 652 A C -0.737 176.754 177.584 -0.155 0.000 1.187 652 A CA -0.509 51.539 52.037 0.019 0.000 0.810 652 A CB 1.097 20.172 19.000 0.124 0.000 1.183 652 A HN 0.444 nan 8.150 nan 0.000 0.487 653 V N 2.082 121.858 119.914 -0.231 0.000 2.417 653 V HA 0.577 4.696 4.120 -0.002 0.000 0.291 653 V C 0.957 176.647 176.094 -0.673 0.000 1.024 653 V CA 0.275 62.215 62.300 -0.600 0.000 0.861 653 V CB 0.853 32.020 31.823 -1.092 0.000 0.985 653 V HN 2.083 nan 8.190 nan 0.000 0.436 654 A N 5.489 127.873 122.820 -0.725 0.000 2.511 654 A HA -0.107 4.211 4.320 -0.002 0.000 0.297 654 A C -1.648 175.768 177.584 -0.281 0.000 1.476 654 A CA 0.516 52.030 52.037 -0.871 0.000 0.757 654 A CB -1.576 17.066 19.000 -0.596 0.000 1.072 654 A HN 0.630 nan 8.150 nan 0.000 0.413 655 P HA 0.429 nan 4.420 nan 0.000 0.276 655 P C 0.101 177.367 177.300 -0.057 0.000 1.244 655 P CA -0.225 62.846 63.100 -0.047 0.000 0.801 655 P CB 1.336 33.035 31.700 -0.001 0.000 1.006 656 V N 1.974 121.766 119.914 -0.204 0.000 2.607 656 V HA 0.119 4.238 4.120 -0.002 0.000 0.289 656 V C 1.664 177.568 176.094 -0.316 0.000 1.053 656 V CA 0.738 62.775 62.300 -0.439 0.000 0.996 656 V CB 0.968 32.133 31.823 -1.097 0.000 0.995 656 V HN 0.832 nan 8.190 nan 0.000 0.476 657 S N 3.783 119.331 115.700 -0.254 0.000 2.575 657 S HA 0.252 4.721 4.470 -0.002 0.000 0.230 657 S C 0.439 174.881 174.600 -0.264 0.000 1.062 657 S CA -0.356 57.767 58.200 -0.128 0.000 0.913 657 S CB 0.317 63.510 63.200 -0.010 0.000 0.837 657 S HN 0.841 nan 8.310 nan 0.000 0.487 658 R N -1.214 119.000 120.500 -0.477 0.000 2.536 658 R HA 0.448 4.787 4.340 -0.002 0.000 0.269 658 R C -0.934 175.020 176.300 -0.577 0.000 1.113 658 R CA -0.867 54.894 56.100 -0.564 0.000 0.948 658 R CB -0.245 29.686 30.300 -0.616 0.000 1.237 658 R HN 0.121 nan 8.270 nan 0.000 0.441 659 W N 1.549 122.745 121.300 -0.173 0.000 2.364 659 W HA -0.053 4.606 4.660 -0.002 0.000 0.281 659 W C 1.123 177.763 176.519 0.201 0.000 1.219 659 W CA 0.987 58.324 57.345 -0.015 0.000 1.220 659 W CB 0.197 29.564 29.460 -0.154 0.000 1.127 659 W HN 0.723 nan 8.180 nan 0.000 0.556 660 E N -0.950 119.421 120.200 0.285 0.000 2.338 660 E HA -0.195 4.154 4.350 -0.002 0.000 0.197 660 E C 1.286 178.027 176.600 0.235 0.000 1.007 660 E CA 0.784 57.303 56.400 0.198 0.000 0.849 660 E CB -0.241 29.465 29.700 0.010 0.000 0.774 660 E HN 0.388 nan 8.360 nan 0.000 0.506 661 Y N -1.395 118.998 120.300 0.155 0.000 2.517 661 Y HA 0.044 4.592 4.550 -0.002 0.000 0.281 661 Y C 0.768 176.766 175.900 0.163 0.000 1.125 661 Y CA -0.263 57.898 58.100 0.101 0.000 1.283 661 Y CB -0.427 38.038 38.460 0.009 0.000 1.042 661 Y HN 0.018 nan 8.280 nan 0.000 0.547 662 Y N 1.980 122.441 120.300 0.267 0.000 2.392 662 Y HA 0.277 4.826 4.550 -0.002 0.000 0.323 662 Y C 0.362 176.487 175.900 0.376 0.000 1.291 662 Y CA -2.102 56.169 58.100 0.285 0.000 1.345 662 Y CB 0.331 38.994 38.460 0.338 0.000 1.320 662 Y HN 0.192 nan 8.280 nan 0.000 0.518 663 D N -0.419 119.657 120.400 -0.541 0.000 2.400 663 D HA 0.058 4.697 4.640 -0.002 0.000 0.238 663 D C 0.947 177.224 176.300 -0.038 0.000 1.157 663 D CA 0.457 54.238 54.000 -0.364 0.000 0.889 663 D CB 0.823 41.211 40.800 -0.688 0.000 1.199 663 D HN 0.486 nan 8.370 nan 0.000 0.436 664 S N 1.204 116.895 115.700 -0.017 0.000 2.348 664 S HA -0.218 4.251 4.470 -0.002 0.000 0.221 664 S C 1.958 176.583 174.600 0.043 0.000 1.033 664 S CA 1.137 59.378 58.200 0.069 0.000 1.010 664 S CB -1.020 62.228 63.200 0.080 0.000 0.891 664 S HN 0.431 nan 8.310 nan 0.000 0.442 665 V N 0.930 120.804 119.914 -0.067 0.000 2.282 665 V HA -0.201 3.918 4.120 -0.002 0.000 0.249 665 V C 2.313 178.324 176.094 -0.138 0.000 1.057 665 V CA 2.350 64.516 62.300 -0.224 0.000 1.032 665 V CB -1.080 30.455 31.823 -0.481 0.000 0.645 665 V HN 0.614 nan 8.190 nan 0.000 0.447 666 Y N 1.203 121.452 120.300 -0.085 0.000 2.130 666 Y HA -0.204 4.345 4.550 -0.002 0.000 0.287 666 Y C 2.748 178.674 175.900 0.043 0.000 1.124 666 Y CA 2.275 60.407 58.100 0.054 0.000 1.118 666 Y CB -0.642 38.044 38.460 0.375 0.000 0.994 666 Y HN 0.213 nan 8.280 nan 0.000 0.497 667 T N 0.491 115.277 114.554 0.387 0.000 2.652 667 T HA -0.230 4.119 4.350 -0.002 0.000 0.267 667 T C 1.565 176.234 174.700 -0.052 0.000 1.039 667 T CA 2.062 64.294 62.100 0.221 0.000 1.153 667 T CB -0.370 68.781 68.868 0.472 0.000 0.863 667 T HN 0.443 nan 8.240 nan 0.000 0.428 668 E N 0.419 120.624 120.200 0.009 0.000 2.204 668 E HA -0.084 4.265 4.350 -0.002 0.000 0.194 668 E C 2.343 178.817 176.600 -0.210 0.000 0.989 668 E CA 0.448 56.839 56.400 -0.015 0.000 0.824 668 E CB -0.122 29.618 29.700 0.067 0.000 0.756 668 E HN 0.323 nan 8.360 nan 0.000 0.477 669 R N -0.057 120.157 120.500 -0.478 0.000 2.105 669 R HA -0.187 4.152 4.340 -0.002 0.000 0.239 669 R C 1.145 176.888 176.300 -0.929 0.000 1.135 669 R CA 1.558 57.186 56.100 -0.787 0.000 0.967 669 R CB 0.039 29.555 30.300 -1.306 0.000 0.861 669 R HN 0.255 nan 8.270 nan 0.000 0.442 670 Y N -2.589 117.397 120.300 -0.523 0.000 2.498 670 Y HA 0.224 4.773 4.550 -0.002 0.000 0.259 670 Y C 1.665 177.381 175.900 -0.307 0.000 1.086 670 Y CA -0.062 57.738 58.100 -0.499 0.000 1.287 670 Y CB 0.426 38.450 38.460 -0.726 0.000 1.146 670 Y HN -0.058 nan 8.280 nan 0.000 0.523 671 M N -0.310 119.179 119.600 -0.185 0.000 2.337 671 M HA 0.368 4.847 4.480 -0.002 0.000 0.256 671 M C 1.102 177.428 176.300 0.044 0.000 1.075 671 M CA 0.818 56.015 55.300 -0.172 0.000 1.024 671 M CB -0.318 31.976 32.600 -0.510 0.000 1.429 671 M HN 0.358 nan 8.290 nan 0.000 0.497 672 G N 1.824 110.657 108.800 0.055 0.000 2.598 672 G HA2 -0.211 3.747 3.960 -0.002 0.000 0.244 672 G HA3 -0.211 3.747 3.960 -0.002 0.000 0.244 672 G C -0.807 174.228 174.900 0.224 0.000 1.302 672 G CA -0.798 44.370 45.100 0.113 0.000 0.903 672 G HN 0.239 nan 8.290 nan 0.000 0.575 673 L N 2.620 123.940 121.223 0.163 0.000 2.325 673 L HA 0.533 4.872 4.340 -0.002 0.000 0.279 673 L C -1.313 175.541 176.870 -0.027 0.000 1.054 673 L CA -1.924 52.962 54.840 0.077 0.000 0.804 673 L CB 1.276 43.348 42.059 0.021 0.000 1.200 673 L HN 0.436 nan 8.230 nan 0.000 0.436 674 P HA 0.100 nan 4.420 nan 0.000 0.218 674 P C -0.708 176.439 177.300 -0.254 0.000 1.793 674 P CA -0.149 62.541 63.100 -0.684 0.000 0.941 674 P CB -0.417 30.593 31.700 -1.149 0.000 1.919 675 T N -2.865 111.627 114.554 -0.103 0.000 2.908 675 T HA 0.477 4.826 4.350 -0.002 0.000 0.290 675 T C -2.325 172.370 174.700 -0.007 0.000 1.034 675 T CA -2.488 59.583 62.100 -0.048 0.000 1.010 675 T CB 1.917 70.768 68.868 -0.029 0.000 1.068 675 T HN -0.299 nan 8.240 nan 0.000 0.481 676 P HA -0.049 nan 4.420 nan 0.000 0.218 676 P C 0.918 178.230 177.300 0.019 0.000 1.148 676 P CA 1.003 64.111 63.100 0.013 0.000 0.822 676 P CB 0.070 31.775 31.700 0.007 0.000 0.784 677 E N -1.398 118.810 120.200 0.013 0.000 2.274 677 E HA -0.096 4.253 4.350 -0.002 0.000 0.194 677 E C 1.412 178.026 176.600 0.023 0.000 0.996 677 E CA 0.829 57.238 56.400 0.014 0.000 0.840 677 E CB -0.394 29.310 29.700 0.006 0.000 0.772 677 E HN 0.305 nan 8.360 nan 0.000 0.491 678 D N -0.503 119.916 120.400 0.033 0.000 2.931 678 D HA 0.096 4.735 4.640 -0.002 0.000 0.241 678 D C 0.353 176.705 176.300 0.087 0.000 1.494 678 D CA 0.180 54.211 54.000 0.052 0.000 1.260 678 D CB -0.030 40.802 40.800 0.053 0.000 0.953 678 D HN 0.012 nan 8.370 nan 0.000 0.240 679 N N -0.035 118.750 118.700 0.140 0.000 2.299 679 N HA 0.045 4.784 4.740 -0.002 0.000 0.246 679 N C 1.291 176.994 175.510 0.321 0.000 1.254 679 N CA -0.113 53.071 53.050 0.224 0.000 0.879 679 N CB 0.887 39.538 38.487 0.273 0.000 1.214 679 N HN -0.007 nan 8.380 nan 0.000 0.510 680 L N 1.238 122.567 121.223 0.177 0.000 2.043 680 L HA -0.180 4.159 4.340 -0.002 0.000 0.212 680 L C 1.414 178.390 176.870 0.176 0.000 1.075 680 L CA 2.013 56.931 54.840 0.129 0.000 0.752 680 L CB -0.406 41.667 42.059 0.023 0.000 0.891 680 L HN 0.148 nan 8.230 nan 0.000 0.432 681 D N -1.475 119.012 120.400 0.145 0.000 2.123 681 D HA -0.257 4.382 4.640 -0.002 0.000 0.196 681 D C 2.083 178.477 176.300 0.157 0.000 0.992 681 D CA 1.783 55.859 54.000 0.126 0.000 0.833 681 D CB -0.212 40.650 40.800 0.104 0.000 0.954 681 D HN 0.591 nan 8.370 nan 0.000 0.455 682 H N -0.978 118.159 119.070 0.111 0.000 2.462 682 H HA -0.051 4.504 4.556 -0.002 0.000 0.292 682 H C 1.696 177.092 175.328 0.112 0.000 1.049 682 H CA 1.139 57.233 56.048 0.075 0.000 1.334 682 H CB -0.273 29.500 29.762 0.017 0.000 1.404 682 H HN 0.151 nan 8.280 nan 0.000 0.544 683 Y N 0.241 120.532 120.300 -0.015 0.000 2.181 683 Y HA -0.168 4.380 4.550 -0.002 0.000 0.288 683 Y C 2.316 178.178 175.900 -0.063 0.000 1.146 683 Y CA 1.407 59.501 58.100 -0.010 0.000 1.164 683 Y CB 0.160 38.646 38.460 0.043 0.000 0.982 683 Y HN 0.123 nan 8.280 nan 0.000 0.515 684 R N -0.328 120.241 120.500 0.116 0.000 2.193 684 R HA -0.046 4.293 4.340 -0.002 0.000 0.213 684 R C 1.263 177.554 176.300 -0.015 0.000 1.055 684 R CA 0.858 56.980 56.100 0.036 0.000 0.995 684 R CB -0.701 29.622 30.300 0.040 0.000 0.893 684 R HN 0.357 nan 8.270 nan 0.000 0.459 685 N N 0.095 118.763 118.700 -0.053 0.000 2.422 685 N HA -0.056 4.683 4.740 -0.002 0.000 0.181 685 N C 0.341 175.783 175.510 -0.114 0.000 1.080 685 N CA 0.578 53.591 53.050 -0.062 0.000 0.893 685 N CB 0.337 38.820 38.487 -0.007 0.000 0.973 685 N HN 0.099 nan 8.380 nan 0.000 0.456 686 S N -1.120 114.466 115.700 -0.190 0.000 2.562 686 S HA 0.157 4.626 4.470 -0.002 0.000 0.246 686 S C 0.381 175.005 174.600 0.041 0.000 1.056 686 S CA -0.775 57.371 58.200 -0.089 0.000 1.042 686 S CB -0.601 62.492 63.200 -0.179 0.000 0.822 686 S HN 0.169 nan 8.310 nan 0.000 0.465 687 T N -1.980 112.564 114.554 -0.017 0.000 2.934 687 T HA 0.548 4.897 4.350 -0.002 0.000 0.283 687 T C 1.226 175.916 174.700 -0.016 0.000 1.005 687 T CA -0.671 61.409 62.100 -0.033 0.000 1.041 687 T CB 1.366 70.185 68.868 -0.081 0.000 1.042 687 T HN -0.038 nan 8.240 nan 0.000 0.505 688 V N 1.498 121.400 119.914 -0.020 0.000 2.488 688 V HA -0.079 4.039 4.120 -0.002 0.000 0.246 688 V C 2.598 178.659 176.094 -0.055 0.000 1.046 688 V CA 1.336 63.616 62.300 -0.034 0.000 1.053 688 V CB -0.931 30.869 31.823 -0.039 0.000 0.679 688 V HN 0.806 nan 8.190 nan 0.000 0.458 689 M N 1.300 120.854 119.600 -0.077 0.000 2.144 689 M HA -0.172 4.306 4.480 -0.002 0.000 0.260 689 M C 2.342 178.608 176.300 -0.056 0.000 1.067 689 M CA 2.196 57.443 55.300 -0.089 0.000 1.095 689 M CB -1.015 31.547 32.600 -0.063 0.000 1.365 689 M HN 0.526 nan 8.290 nan 0.000 0.406 690 S N -0.447 115.233 115.700 -0.034 0.000 2.507 690 S HA -0.075 4.394 4.470 -0.002 0.000 0.235 690 S C 1.773 176.374 174.600 0.002 0.000 0.988 690 S CA 0.712 58.903 58.200 -0.016 0.000 0.944 690 S CB -0.409 62.782 63.200 -0.015 0.000 0.762 690 S HN 0.535 nan 8.310 nan 0.000 0.526 691 R N 0.312 120.825 120.500 0.022 0.000 2.393 691 R HA 0.467 4.806 4.340 -0.002 0.000 0.244 691 R C 2.178 178.582 176.300 0.173 0.000 0.920 691 R CA 0.422 56.567 56.100 0.075 0.000 1.076 691 R CB -0.200 30.146 30.300 0.078 0.000 1.119 691 R HN 0.461 nan 8.270 nan 0.000 0.524 692 A N 1.564 124.422 122.820 0.063 0.000 1.903 692 A HA -0.306 4.013 4.320 -0.002 0.000 0.219 692 A C 1.997 179.657 177.584 0.127 0.000 1.191 692 A CA 1.991 54.027 52.037 -0.002 0.000 0.638 692 A CB -0.320 18.609 19.000 -0.119 0.000 0.823 692 A HN 0.273 nan 8.150 nan 0.000 0.451 693 E N 0.351 120.600 120.200 0.082 0.000 2.097 693 E HA -0.213 4.136 4.350 -0.002 0.000 0.196 693 E C 1.692 178.351 176.600 0.099 0.000 1.000 693 E CA 1.948 58.393 56.400 0.075 0.000 0.804 693 E CB -0.520 29.206 29.700 0.044 0.000 0.740 693 E HN 0.800 nan 8.360 nan 0.000 0.454 694 N N -1.252 117.507 118.700 0.098 0.000 2.453 694 N HA -0.113 4.625 4.740 -0.002 0.000 0.183 694 N C 0.786 176.288 175.510 -0.014 0.000 1.041 694 N CA 0.273 53.335 53.050 0.019 0.000 0.900 694 N CB -0.134 38.318 38.487 -0.059 0.000 0.961 694 N HN 0.146 nan 8.380 nan 0.000 0.443 695 F N 1.490 121.393 119.950 -0.078 0.000 2.699 695 F HA 0.034 4.560 4.527 -0.002 0.000 0.298 695 F C 1.854 177.653 175.800 -0.001 0.000 1.154 695 F CA 0.608 58.558 58.000 -0.084 0.000 1.457 695 F CB -0.003 38.895 39.000 -0.170 0.000 1.106 695 F HN -0.084 nan 8.300 nan 0.000 0.585 696 K N -0.242 120.253 120.400 0.159 0.000 2.209 696 K HA -0.161 4.158 4.320 -0.002 0.000 0.204 696 K C 1.526 178.184 176.600 0.097 0.000 1.048 696 K CA 0.872 57.234 56.287 0.124 0.000 0.940 696 K CB -0.123 32.430 32.500 0.088 0.000 0.729 696 K HN 0.265 nan 8.250 nan 0.000 0.451 697 Q N 0.298 120.134 119.800 0.060 0.000 2.403 697 Q HA 0.036 4.375 4.340 -0.002 0.000 0.203 697 Q C 0.656 176.691 176.000 0.059 0.000 0.932 697 Q CA 0.296 56.126 55.803 0.045 0.000 0.945 697 Q CB 0.368 29.114 28.738 0.013 0.000 1.045 697 Q HN 0.213 nan 8.270 nan 0.000 0.511 698 V N -3.273 116.691 119.914 0.085 0.000 3.160 698 V HA 0.535 4.654 4.120 -0.002 0.000 0.310 698 V C -0.972 175.260 176.094 0.230 0.000 1.181 698 V CA -1.291 61.086 62.300 0.127 0.000 1.047 698 V CB 2.424 34.284 31.823 0.062 0.000 1.068 698 V HN -0.048 nan 8.190 nan 0.000 0.441 699 E N 1.454 121.821 120.200 0.279 0.000 2.146 699 E HA 0.467 4.816 4.350 -0.002 0.000 0.282 699 E C -1.874 175.095 176.600 0.614 0.000 0.989 699 E CA -0.355 56.281 56.400 0.392 0.000 0.799 699 E CB 1.782 31.640 29.700 0.263 0.000 1.088 699 E HN 0.680 nan 8.360 nan 0.000 0.397 700 Y N 3.289 123.853 120.300 0.439 0.000 2.446 700 Y HA 0.459 5.008 4.550 -0.002 0.000 0.345 700 Y C -1.478 174.505 175.900 0.138 0.000 0.984 700 Y CA -1.206 57.094 58.100 0.333 0.000 1.058 700 Y CB 1.061 39.749 38.460 0.379 0.000 1.220 700 Y HN 0.436 nan 8.280 nan 0.000 0.455 701 L N 7.800 128.718 121.223 -0.507 0.000 2.343 701 L HA 0.495 4.834 4.340 -0.002 0.000 0.278 701 L C -1.728 174.684 176.870 -0.763 0.000 0.996 701 L CA -0.769 53.639 54.840 -0.720 0.000 0.831 701 L CB 1.217 42.529 42.059 -1.245 0.000 1.232 701 L HN 0.665 nan 8.230 nan 0.000 0.413 702 L N 6.355 127.239 121.223 -0.565 0.000 2.287 702 L HA 0.589 4.928 4.340 -0.002 0.000 0.287 702 L C -0.876 175.869 176.870 -0.208 0.000 1.022 702 L CA -0.469 54.092 54.840 -0.465 0.000 0.814 702 L CB 1.547 43.421 42.059 -0.308 0.000 1.217 702 L HN 0.593 nan 8.230 nan 0.000 0.420 703 I N 3.909 124.362 120.570 -0.195 0.000 2.545 703 I HA 0.488 4.657 4.170 -0.002 0.000 0.292 703 I C -0.971 175.114 176.117 -0.053 0.000 1.040 703 I CA -0.770 60.469 61.300 -0.102 0.000 1.068 703 I CB 2.073 39.976 38.000 -0.161 0.000 1.251 703 I HN 0.523 nan 8.210 nan 0.000 0.424 704 H N 2.831 121.940 119.070 0.066 0.000 3.086 704 H HA 0.365 4.920 4.556 -0.002 0.000 0.353 704 H C -0.745 174.819 175.328 0.394 0.000 1.134 704 H CA -0.560 55.576 56.048 0.148 0.000 1.248 704 H CB 2.451 32.220 29.762 0.012 0.000 1.878 704 H HN 0.768 nan 8.280 nan 0.000 0.527 705 G N 1.118 110.293 108.800 0.624 0.000 2.403 705 G HA2 0.223 4.182 3.960 -0.002 0.000 0.259 705 G HA3 0.223 4.182 3.960 -0.002 0.000 0.259 705 G C 1.143 176.345 174.900 0.503 0.000 1.244 705 G CA 0.241 45.653 45.100 0.520 0.000 0.849 705 G HN 0.655 nan 8.290 nan 0.000 0.532 706 T N -0.592 114.111 114.554 0.248 0.000 2.995 706 T HA 0.073 4.422 4.350 -0.002 0.000 0.269 706 T C 1.722 176.412 174.700 -0.017 0.000 1.091 706 T CA 1.296 63.352 62.100 -0.073 0.000 1.128 706 T CB 0.139 68.873 68.868 -0.224 0.000 0.891 706 T HN 0.686 nan 8.240 nan 0.000 0.492 707 A N 1.084 123.969 122.820 0.109 0.000 2.684 707 A HA 0.307 4.625 4.320 -0.002 0.000 0.288 707 A C 0.428 177.993 177.584 -0.032 0.000 1.337 707 A CA -0.492 51.580 52.037 0.058 0.000 0.946 707 A CB -0.343 18.939 19.000 0.471 0.000 1.093 707 A HN 0.389 nan 8.150 nan 0.000 0.543 708 D N 1.553 121.964 120.400 0.019 0.000 2.342 708 D HA -0.013 4.626 4.640 -0.002 0.000 0.260 708 D C 0.439 176.744 176.300 0.008 0.000 1.278 708 D CA 0.106 54.224 54.000 0.197 0.000 0.910 708 D CB 0.621 41.707 40.800 0.476 0.000 1.079 708 D HN 0.579 nan 8.370 nan 0.000 0.496 709 D N 2.330 122.776 120.400 0.076 0.000 2.347 709 D HA -0.148 4.491 4.640 -0.002 0.000 0.213 709 D C 0.973 177.303 176.300 0.051 0.000 0.985 709 D CA -0.006 53.989 54.000 -0.007 0.000 0.879 709 D CB 0.416 41.161 40.800 -0.090 0.000 0.919 709 D HN 0.224 nan 8.370 nan 0.000 0.526 710 N N 0.821 119.656 118.700 0.225 0.000 2.335 710 N HA -0.063 4.676 4.740 -0.002 0.000 0.197 710 N C -0.058 175.487 175.510 0.058 0.000 1.045 710 N CA 0.573 53.800 53.050 0.296 0.000 0.928 710 N CB 0.209 38.858 38.487 0.270 0.000 1.118 710 N HN -0.107 nan 8.380 nan 0.000 0.471 711 V N 2.834 122.826 119.914 0.130 0.000 2.304 711 V HA 0.218 4.337 4.120 -0.002 0.000 0.269 711 V C -0.552 175.658 176.094 0.194 0.000 1.036 711 V CA -0.475 61.911 62.300 0.144 0.000 0.840 711 V CB -0.327 31.631 31.823 0.225 0.000 1.036 711 V HN 0.319 nan 8.190 nan 0.000 0.466 712 H N 3.398 122.479 119.070 0.018 0.000 2.897 712 H HA -0.014 4.541 4.556 -0.002 0.000 0.347 712 H C 0.806 175.977 175.328 -0.262 0.000 1.068 712 H CA -0.100 55.859 56.048 -0.147 0.000 1.426 712 H CB 0.793 30.382 29.762 -0.288 0.000 1.410 712 H HN 0.634 nan 8.280 nan 0.000 0.597 713 F N 2.128 121.843 119.950 -0.393 0.000 2.192 713 F HA -0.306 4.220 4.527 -0.002 0.000 0.301 713 F C 2.587 178.113 175.800 -0.455 0.000 1.079 713 F CA 1.759 59.320 58.000 -0.731 0.000 1.303 713 F CB -0.173 38.594 39.000 -0.389 0.000 1.024 713 F HN 0.664 nan 8.300 nan 0.000 0.494 714 Q N 0.179 119.861 119.800 -0.198 0.000 2.173 714 Q HA -0.313 4.026 4.340 -0.002 0.000 0.208 714 Q C 2.047 177.827 176.000 -0.367 0.000 0.989 714 Q CA 2.255 57.894 55.803 -0.273 0.000 0.872 714 Q CB -0.352 28.190 28.738 -0.327 0.000 0.909 714 Q HN 0.598 nan 8.270 nan 0.000 0.420 715 Q N -0.374 119.250 119.800 -0.292 0.000 2.084 715 Q HA -0.111 4.228 4.340 -0.002 0.000 0.202 715 Q C 2.219 178.134 176.000 -0.142 0.000 0.978 715 Q CA 1.680 57.421 55.803 -0.103 0.000 0.844 715 Q CB -0.046 28.713 28.738 0.035 0.000 0.898 715 Q HN 0.325 nan 8.270 nan 0.000 0.426 716 S N 0.520 116.037 115.700 -0.305 0.000 2.436 716 S HA 0.024 4.493 4.470 -0.002 0.000 0.228 716 S C 1.991 176.368 174.600 -0.371 0.000 1.014 716 S CA 0.630 58.650 58.200 -0.300 0.000 0.950 716 S CB -0.011 62.986 63.200 -0.337 0.000 0.784 716 S HN 0.449 nan 8.310 nan 0.000 0.504 717 A N 1.352 123.877 122.820 -0.492 0.000 1.972 717 A HA -0.121 4.198 4.320 -0.002 0.000 0.219 717 A C 2.109 179.609 177.584 -0.140 0.000 1.169 717 A CA 1.101 52.975 52.037 -0.272 0.000 0.635 717 A CB -0.348 18.553 19.000 -0.165 0.000 0.810 717 A HN 0.366 nan 8.150 nan 0.000 0.446 718 Q N -0.564 119.160 119.800 -0.128 0.000 2.187 718 Q HA 0.043 4.382 4.340 -0.002 0.000 0.199 718 Q C 2.094 178.047 176.000 -0.078 0.000 0.957 718 Q CA 0.831 56.604 55.803 -0.049 0.000 0.857 718 Q CB -0.247 28.530 28.738 0.066 0.000 0.929 718 Q HN 0.774 nan 8.270 nan 0.000 0.453 719 I N 1.214 121.713 120.570 -0.120 0.000 2.163 719 I HA -0.280 3.889 4.170 -0.002 0.000 0.240 719 I C 2.564 178.516 176.117 -0.275 0.000 1.081 719 I CA 1.491 62.672 61.300 -0.198 0.000 1.353 719 I CB -0.454 37.437 38.000 -0.181 0.000 1.054 719 I HN 0.182 nan 8.210 nan 0.000 0.407 720 S N 0.909 116.480 115.700 -0.215 0.000 2.383 720 S HA -0.295 4.174 4.470 -0.002 0.000 0.229 720 S C 2.028 176.599 174.600 -0.048 0.000 1.030 720 S CA 1.611 59.720 58.200 -0.152 0.000 1.002 720 S CB -0.472 62.803 63.200 0.126 0.000 0.829 720 S HN 0.379 nan 8.310 nan 0.000 0.467 721 K N 1.609 121.985 120.400 -0.040 0.000 2.097 721 K HA 0.089 4.408 4.320 -0.002 0.000 0.205 721 K C 2.257 178.834 176.600 -0.038 0.000 1.050 721 K CA 1.063 57.343 56.287 -0.011 0.000 0.938 721 K CB -0.628 31.865 32.500 -0.012 0.000 0.718 721 K HN 0.458 nan 8.250 nan 0.000 0.442 722 A N 0.908 123.673 122.820 -0.092 0.000 1.930 722 A HA -0.067 4.252 4.320 -0.002 0.000 0.217 722 A C 2.048 179.554 177.584 -0.129 0.000 1.175 722 A CA 1.064 53.039 52.037 -0.103 0.000 0.627 722 A CB -0.494 18.426 19.000 -0.132 0.000 0.815 722 A HN 0.299 nan 8.150 nan 0.000 0.443 723 L N -0.645 120.445 121.223 -0.221 0.000 2.056 723 L HA -0.137 4.202 4.340 -0.002 0.000 0.207 723 L C 2.516 179.384 176.870 -0.003 0.000 1.078 723 L CA 0.955 55.659 54.840 -0.227 0.000 0.749 723 L CB -0.550 41.167 42.059 -0.570 0.000 0.901 723 L HN 0.237 nan 8.230 nan 0.000 0.433 724 V N -0.175 119.781 119.914 0.071 0.000 2.343 724 V HA -0.284 3.835 4.120 -0.002 0.000 0.247 724 V C 1.969 178.100 176.094 0.061 0.000 1.051 724 V CA 1.859 64.233 62.300 0.124 0.000 1.036 724 V CB -0.508 31.391 31.823 0.126 0.000 0.654 724 V HN 0.429 nan 8.190 nan 0.000 0.451 725 D N -0.409 120.007 120.400 0.027 0.000 2.263 725 D HA -0.090 4.549 4.640 -0.002 0.000 0.208 725 D C 1.777 178.087 176.300 0.018 0.000 0.971 725 D CA 0.877 54.887 54.000 0.018 0.000 0.867 725 D CB 0.085 40.888 40.800 0.004 0.000 0.929 725 D HN 0.347 nan 8.370 nan 0.000 0.492 726 V N -0.584 119.340 119.914 0.016 0.000 3.621 726 V HA 0.205 4.323 4.120 -0.002 0.000 0.285 726 V C 1.277 177.396 176.094 0.043 0.000 1.346 726 V CA 0.696 63.009 62.300 0.022 0.000 1.104 726 V CB 0.251 32.080 31.823 0.010 0.000 0.913 726 V HN 0.340 nan 8.190 nan 0.000 0.432 727 G N 0.932 109.767 108.800 0.058 0.000 2.212 727 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.255 727 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.255 727 G C -0.057 174.904 174.900 0.101 0.000 1.062 727 G CA 0.263 45.407 45.100 0.074 0.000 0.815 727 G HN 0.393 nan 8.290 nan 0.000 0.497 728 V N 0.457 120.450 119.914 0.131 0.000 2.398 728 V HA 0.493 4.611 4.120 -0.002 0.000 0.286 728 V C 0.337 176.616 176.094 0.308 0.000 1.026 728 V CA -0.536 61.872 62.300 0.180 0.000 0.868 728 V CB 1.782 33.690 31.823 0.142 0.000 0.982 728 V HN 0.446 nan 8.190 nan 0.000 0.443 729 D N 4.001 124.562 120.400 0.268 0.000 2.264 729 D HA 0.615 5.254 4.640 -0.002 0.000 0.249 729 D C -0.585 175.967 176.300 0.419 0.000 1.070 729 D CA 0.144 54.299 54.000 0.259 0.000 0.912 729 D CB 0.861 41.740 40.800 0.132 0.000 1.193 729 D HN 0.343 nan 8.370 nan 0.000 0.427 730 F N -0.310 119.719 119.950 0.131 0.000 2.831 730 F HA 0.478 5.003 4.527 -0.002 0.000 0.318 730 F C -1.480 174.382 175.800 0.103 0.000 1.174 730 F CA -1.105 56.999 58.000 0.173 0.000 0.918 730 F CB 0.713 39.856 39.000 0.240 0.000 1.364 730 F HN 0.110 nan 8.300 nan 0.000 0.475 731 Q N 1.146 121.017 119.800 0.119 0.000 2.266 731 Q HA 0.833 5.172 4.340 -0.002 0.000 0.261 731 Q C -0.958 175.019 176.000 -0.038 0.000 0.985 731 Q CA -0.888 54.887 55.803 -0.047 0.000 0.873 731 Q CB 2.280 31.032 28.738 0.023 0.000 1.306 731 Q HN 1.063 nan 8.270 nan 0.000 0.447 732 A N 1.601 124.370 122.820 -0.084 0.000 2.587 732 A HA 0.847 5.166 4.320 -0.002 0.000 0.293 732 A C -1.474 176.047 177.584 -0.105 0.000 1.087 732 A CA -0.549 51.470 52.037 -0.030 0.000 0.692 732 A CB 2.039 21.081 19.000 0.069 0.000 1.291 732 A HN 0.603 nan 8.150 nan 0.000 0.407 733 M N 1.225 120.748 119.600 -0.128 0.000 2.274 733 M HA 0.563 5.042 4.480 -0.002 0.000 0.272 733 M C -2.046 174.104 176.300 -0.249 0.000 1.053 733 M CA -0.610 54.461 55.300 -0.382 0.000 0.978 733 M CB 1.060 33.340 32.600 -0.534 0.000 1.836 733 M HN 0.990 nan 8.290 nan 0.000 0.484 734 W N 4.293 125.428 121.300 -0.274 0.000 2.516 734 W HA 0.796 5.455 4.660 -0.002 0.000 0.343 734 W C -2.010 174.247 176.519 -0.436 0.000 1.094 734 W CA -0.864 56.413 57.345 -0.114 0.000 1.250 734 W CB 0.429 29.875 29.460 -0.022 0.000 1.308 734 W HN 0.610 nan 8.180 nan 0.000 0.588 735 Y N 2.170 122.614 120.300 0.240 0.000 2.376 735 Y HA 0.286 4.834 4.550 -0.002 0.000 0.326 735 Y C 0.738 176.755 175.900 0.195 0.000 0.970 735 Y CA -1.114 57.039 58.100 0.088 0.000 1.248 735 Y CB 1.513 39.998 38.460 0.041 0.000 1.117 735 Y HN 0.616 nan 8.280 nan 0.000 0.476 736 T N 3.445 118.168 114.554 0.281 0.000 2.871 736 T HA 0.025 4.374 4.350 -0.002 0.000 0.296 736 T C 0.457 175.229 174.700 0.119 0.000 0.998 736 T CA 0.619 62.817 62.100 0.163 0.000 1.162 736 T CB -0.083 68.809 68.868 0.040 0.000 0.947 736 T HN 0.811 nan 8.240 nan 0.000 0.536 737 D N 1.731 122.182 120.400 0.085 0.000 3.077 737 D HA -0.115 4.524 4.640 -0.002 0.000 0.217 737 D C 0.011 176.451 176.300 0.233 0.000 1.162 737 D CA 1.021 55.028 54.000 0.011 0.000 0.943 737 D CB -0.492 40.104 40.800 -0.341 0.000 1.122 737 D HN 0.635 nan 8.370 nan 0.000 0.413 738 E N 0.895 121.248 120.200 0.254 0.000 2.277 738 E HA 0.311 4.660 4.350 -0.002 0.000 0.274 738 E C 0.756 177.546 176.600 0.316 0.000 1.022 738 E CA -0.328 56.238 56.400 0.277 0.000 0.853 738 E CB 1.272 31.123 29.700 0.252 0.000 1.086 738 E HN 0.315 nan 8.360 nan 0.000 0.397 739 D N -0.202 120.396 120.400 0.330 0.000 2.511 739 D HA -0.020 4.619 4.640 -0.002 0.000 0.283 739 D C 1.138 177.674 176.300 0.393 0.000 1.198 739 D CA -0.104 54.116 54.000 0.366 0.000 1.097 739 D CB -0.191 40.850 40.800 0.403 0.000 1.160 739 D HN 0.444 nan 8.370 nan 0.000 0.589 740 H N -1.570 117.701 119.070 0.334 0.000 2.457 740 H HA 0.064 4.619 4.556 -0.002 0.000 0.297 740 H C 1.928 177.520 175.328 0.441 0.000 1.092 740 H CA 2.235 58.507 56.048 0.373 0.000 1.309 740 H CB -0.398 29.564 29.762 0.333 0.000 1.382 740 H HN 0.478 nan 8.280 nan 0.000 0.535 741 G N -0.339 108.637 108.800 0.293 0.000 2.623 741 G HA2 0.003 3.962 3.960 -0.002 0.000 0.214 741 G HA3 0.003 3.962 3.960 -0.002 0.000 0.214 741 G C 0.666 175.737 174.900 0.284 0.000 1.138 741 G CA 0.289 45.485 45.100 0.160 0.000 0.794 741 G HN 0.524 nan 8.290 nan 0.000 0.535 742 I N 0.074 120.830 120.570 0.310 0.000 5.115 742 I HA -0.328 3.841 4.170 -0.002 0.000 0.126 742 I C 1.544 177.783 176.117 0.203 0.000 1.316 742 I CA 0.164 61.594 61.300 0.217 0.000 2.641 742 I CB -1.081 37.020 38.000 0.168 0.000 2.272 742 I HN 0.264 nan 8.210 nan 0.000 0.321 743 A N 1.106 124.026 122.820 0.166 0.000 2.387 743 A HA 0.296 4.615 4.320 -0.002 0.000 0.234 743 A C 1.165 178.801 177.584 0.087 0.000 1.253 743 A CA 0.525 52.629 52.037 0.112 0.000 0.894 743 A CB 0.112 19.145 19.000 0.054 0.000 0.963 743 A HN 0.631 nan 8.150 nan 0.000 0.508 744 S N -0.487 115.278 115.700 0.109 0.000 2.573 744 S HA 0.145 4.614 4.470 -0.002 0.000 0.277 744 S C 1.228 175.885 174.600 0.096 0.000 1.346 744 S CA 0.367 58.624 58.200 0.096 0.000 1.034 744 S CB 1.084 64.346 63.200 0.104 0.000 0.879 744 S HN 0.460 nan 8.310 nan 0.000 0.528 745 S N 1.940 117.683 115.700 0.072 0.000 2.365 745 S HA -0.185 4.284 4.470 -0.002 0.000 0.225 745 S C 2.059 176.721 174.600 0.103 0.000 1.039 745 S CA 2.273 60.519 58.200 0.075 0.000 1.033 745 S CB -1.510 61.717 63.200 0.044 0.000 0.887 745 S HN 1.034 nan 8.310 nan 0.000 0.447 746 T N -0.296 114.309 114.554 0.085 0.000 2.812 746 T HA 0.215 4.564 4.350 -0.002 0.000 0.264 746 T C 2.001 176.760 174.700 0.098 0.000 1.042 746 T CA 1.188 63.340 62.100 0.086 0.000 1.140 746 T CB -0.902 68.007 68.868 0.069 0.000 0.870 746 T HN 0.439 nan 8.240 nan 0.000 0.445 747 A N 1.509 124.368 122.820 0.066 0.000 1.930 747 A HA -0.097 4.222 4.320 -0.002 0.000 0.217 747 A C 2.199 179.744 177.584 -0.066 0.000 1.175 747 A CA 2.032 54.043 52.037 -0.044 0.000 0.627 747 A CB -1.228 17.719 19.000 -0.089 0.000 0.815 747 A HN 0.746 nan 8.150 nan 0.000 0.443 748 H N -0.102 118.956 119.070 -0.019 0.000 2.290 748 H HA -0.147 4.408 4.556 -0.002 0.000 0.298 748 H C 2.117 177.515 175.328 0.115 0.000 1.087 748 H CA 2.389 58.478 56.048 0.068 0.000 1.291 748 H CB -0.252 29.554 29.762 0.074 0.000 1.369 748 H HN 0.577 nan 8.280 nan 0.000 0.492 749 Q N -1.009 118.787 119.800 -0.007 0.000 2.084 749 Q HA -0.193 4.146 4.340 -0.002 0.000 0.202 749 Q C 2.255 178.239 176.000 -0.026 0.000 0.978 749 Q CA 1.355 57.118 55.803 -0.067 0.000 0.844 749 Q CB -0.215 28.527 28.738 0.007 0.000 0.898 749 Q HN 0.635 nan 8.270 nan 0.000 0.426 750 H N 0.805 119.848 119.070 -0.046 0.000 2.353 750 H HA -0.083 4.472 4.556 -0.002 0.000 0.300 750 H C 2.027 177.348 175.328 -0.012 0.000 1.090 750 H CA 1.360 57.413 56.048 0.009 0.000 1.327 750 H CB -0.055 29.763 29.762 0.094 0.000 1.383 750 H HN 0.282 nan 8.280 nan 0.000 0.508 751 I N 0.080 120.625 120.570 -0.042 0.000 2.202 751 I HA -0.326 3.843 4.170 -0.002 0.000 0.242 751 I C 1.826 177.715 176.117 -0.380 0.000 1.091 751 I CA 1.263 62.447 61.300 -0.194 0.000 1.368 751 I CB -0.291 37.392 38.000 -0.528 0.000 1.058 751 I HN 0.131 nan 8.210 nan 0.000 0.410 752 Y N 0.989 121.078 120.300 -0.352 0.000 2.293 752 Y HA -0.207 4.342 4.550 -0.002 0.000 0.291 752 Y C 2.721 178.416 175.900 -0.341 0.000 1.137 752 Y CA 1.859 59.632 58.100 -0.546 0.000 1.202 752 Y CB -0.857 37.281 38.460 -0.536 0.000 0.990 752 Y HN 0.165 nan 8.280 nan 0.000 0.537 753 T N -1.737 112.746 114.554 -0.117 0.000 2.777 753 T HA -0.220 4.128 4.350 -0.002 0.000 0.266 753 T C 1.560 176.160 174.700 -0.167 0.000 1.040 753 T CA 1.832 63.834 62.100 -0.164 0.000 1.141 753 T CB -0.413 68.356 68.868 -0.165 0.000 0.868 753 T HN 0.412 nan 8.240 nan 0.000 0.444 754 H N 0.729 119.689 119.070 -0.182 0.000 2.357 754 H HA 0.145 4.700 4.556 -0.002 0.000 0.301 754 H C 2.161 177.484 175.328 -0.009 0.000 1.082 754 H CA 1.464 57.481 56.048 -0.050 0.000 1.342 754 H CB -0.213 29.511 29.762 -0.063 0.000 1.389 754 H HN 0.241 nan 8.280 nan 0.000 0.511 755 M N -0.873 118.684 119.600 -0.072 0.000 2.229 755 M HA -0.149 4.330 4.480 -0.002 0.000 0.264 755 M C 2.346 178.768 176.300 0.204 0.000 1.063 755 M CA 1.329 56.578 55.300 -0.084 0.000 1.114 755 M CB 0.094 32.379 32.600 -0.525 0.000 1.387 755 M HN 0.207 nan 8.290 nan 0.000 0.420 756 S N -0.662 115.175 115.700 0.230 0.000 2.368 756 S HA -0.145 4.324 4.470 -0.002 0.000 0.225 756 S C 1.682 176.374 174.600 0.153 0.000 1.030 756 S CA 0.962 59.382 58.200 0.367 0.000 0.999 756 S CB -0.527 62.870 63.200 0.328 0.000 0.844 756 S HN 0.471 nan 8.310 nan 0.000 0.459 757 H N -0.072 119.063 119.070 0.108 0.000 2.353 757 H HA -0.051 4.504 4.556 -0.002 0.000 0.300 757 H C 1.988 177.319 175.328 0.005 0.000 1.090 757 H CA 1.348 57.411 56.048 0.025 0.000 1.327 757 H CB -0.762 28.965 29.762 -0.058 0.000 1.383 757 H HN 0.436 nan 8.280 nan 0.000 0.508 758 F N 1.336 121.277 119.950 -0.015 0.000 2.102 758 F HA -0.198 4.328 4.527 -0.002 0.000 0.298 758 F C 2.332 178.083 175.800 -0.080 0.000 1.105 758 F CA 0.971 58.929 58.000 -0.069 0.000 1.239 758 F CB -0.322 38.616 39.000 -0.103 0.000 0.991 758 F HN -0.041 nan 8.300 nan 0.000 0.474 759 I N 0.629 121.199 120.570 -0.001 0.000 2.226 759 I HA -0.278 3.891 4.170 -0.002 0.000 0.245 759 I C 2.258 178.151 176.117 -0.373 0.000 1.100 759 I CA 1.523 62.644 61.300 -0.298 0.000 1.374 759 I CB -1.325 36.584 38.000 -0.152 0.000 1.057 759 I HN 0.219 nan 8.210 nan 0.000 0.413 760 K N 0.246 120.583 120.400 -0.105 0.000 2.057 760 K HA -0.225 4.094 4.320 -0.002 0.000 0.207 760 K C 2.129 178.709 176.600 -0.034 0.000 1.049 760 K CA 1.228 57.511 56.287 -0.006 0.000 0.931 760 K CB -0.254 32.294 32.500 0.080 0.000 0.714 760 K HN 0.332 nan 8.250 nan 0.000 0.440 761 Q N 1.194 120.935 119.800 -0.098 0.000 2.050 761 Q HA -0.224 4.115 4.340 -0.002 0.000 0.202 761 Q C 2.281 178.183 176.000 -0.163 0.000 0.980 761 Q CA 1.888 57.621 55.803 -0.116 0.000 0.840 761 Q CB -0.606 28.042 28.738 -0.150 0.000 0.898 761 Q HN 0.437 nan 8.270 nan 0.000 0.424 762 c N 0.223 118.616 118.600 -0.345 0.000 2.425 762 c HA -0.092 4.476 4.570 -0.002 0.000 0.277 762 c C 2.220 176.323 174.090 0.021 0.000 1.280 762 c CA 0.503 56.648 56.329 -0.306 0.000 1.744 762 c CB -1.337 40.823 42.510 -0.585 0.000 1.989 762 c HN 0.563 nan 8.230 nan 0.000 0.491 763 F N 1.176 121.086 119.950 -0.066 0.000 2.765 763 F HA 0.331 4.857 4.527 -0.002 0.000 0.302 763 F C 1.414 177.200 175.800 -0.024 0.000 1.111 763 F CA -0.079 57.904 58.000 -0.028 0.000 1.359 763 F CB -0.791 38.202 39.000 -0.013 0.000 1.097 763 F HN 0.139 nan 8.300 nan 0.000 0.577 764 S N 0.000 115.786 115.700 0.143 0.000 2.498 764 S HA 0.000 4.469 4.470 -0.002 0.000 0.327 764 S CA 0.000 58.247 58.200 0.079 0.000 1.107 764 S CB 0.000 63.237 63.200 0.061 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517