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 1tkr_1_B DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.636 174.600 0.061 0.000 1.055 39 S CA 0.000 58.230 58.200 0.049 0.000 1.107 39 S CB 0.000 63.226 63.200 0.044 0.000 0.593 40 R N 1.320 121.859 120.500 0.065 0.000 2.958 40 R HA -0.110 4.230 4.340 0.000 0.000 0.277 40 R C -0.058 176.292 176.300 0.084 0.000 0.940 40 R CA 1.049 57.193 56.100 0.073 0.000 0.664 40 R CB -1.687 28.657 30.300 0.072 0.000 1.551 40 R HN 0.739 nan 8.270 nan 0.000 0.455 41 K N 0.325 120.781 120.400 0.093 0.000 2.159 41 K HA 0.177 4.497 4.320 0.000 0.000 0.242 41 K C 0.431 177.101 176.600 0.116 0.000 1.043 41 K CA 0.333 56.683 56.287 0.105 0.000 0.856 41 K CB 0.306 32.876 32.500 0.116 0.000 1.072 41 K HN 0.401 nan 8.250 nan 0.000 0.514 42 T N -3.120 111.513 114.554 0.133 0.000 2.919 42 T HA 0.177 4.527 4.350 0.000 0.000 0.282 42 T C -0.806 174.034 174.700 0.233 0.000 1.020 42 T CA -0.805 61.387 62.100 0.154 0.000 0.994 42 T CB 0.501 69.450 68.868 0.134 0.000 1.180 42 T HN 0.507 nan 8.240 nan 0.000 0.566 43 Y N 2.697 123.075 120.300 0.130 0.000 2.600 43 Y HA 0.365 4.915 4.550 0.000 0.000 0.351 43 Y C 0.994 177.063 175.900 0.282 0.000 1.042 43 Y CA -0.496 57.729 58.100 0.207 0.000 1.333 43 Y CB -0.510 38.033 38.460 0.137 0.000 1.172 43 Y HN 0.957 nan 8.280 nan 0.000 0.517 44 T N 2.166 116.738 114.554 0.031 0.000 2.882 44 T HA 0.087 4.437 4.350 0.000 0.000 0.287 44 T C 1.169 175.766 174.700 -0.171 0.000 1.014 44 T CA -0.743 61.389 62.100 0.054 0.000 1.049 44 T CB 1.218 70.094 68.868 0.012 0.000 1.001 44 T HN 0.684 nan 8.240 nan 0.000 0.525 45 L N 2.287 123.256 121.223 -0.424 0.000 2.013 45 L HA -0.084 4.256 4.340 0.000 0.000 0.212 45 L C 2.651 179.365 176.870 -0.260 0.000 1.073 45 L CA 2.660 57.093 54.840 -0.679 0.000 0.753 45 L CB -1.511 40.020 42.059 -0.880 0.000 0.890 45 L HN 1.020 nan 8.230 nan 0.000 0.432 46 T N -2.116 112.318 114.554 -0.200 0.000 2.788 46 T HA -0.169 4.181 4.350 0.000 0.000 0.268 46 T C 1.593 176.191 174.700 -0.171 0.000 1.044 46 T CA 1.196 63.208 62.100 -0.147 0.000 1.139 46 T CB -0.623 68.181 68.868 -0.106 0.000 0.867 46 T HN 0.345 nan 8.240 nan 0.000 0.454 47 D N 0.346 120.609 120.400 -0.228 0.000 2.133 47 D HA -0.110 4.530 4.640 0.000 0.000 0.195 47 D C 1.719 177.869 176.300 -0.250 0.000 0.997 47 D CA 1.159 54.967 54.000 -0.320 0.000 0.840 47 D CB -0.416 40.100 40.800 -0.472 0.000 0.947 47 D HN 0.447 nan 8.370 nan 0.000 0.452 48 Y N 1.452 121.536 120.300 -0.360 0.000 2.109 48 Y HA -0.098 4.452 4.550 0.000 0.000 0.285 48 Y C 2.261 178.156 175.900 -0.009 0.000 1.131 48 Y CA 1.227 59.283 58.100 -0.074 0.000 1.121 48 Y CB -0.730 37.748 38.460 0.031 0.000 0.987 48 Y HN -0.109 nan 8.280 nan 0.000 0.495 49 L N 0.099 121.132 121.223 -0.317 0.000 2.083 49 L HA -0.207 4.133 4.340 0.000 0.000 0.209 49 L C 2.168 178.926 176.870 -0.187 0.000 1.083 49 L CA 1.426 56.076 54.840 -0.316 0.000 0.752 49 L CB -0.559 41.394 42.059 -0.176 0.000 0.899 49 L HN 0.082 nan 8.230 nan 0.000 0.433 50 K N 0.051 120.361 120.400 -0.151 0.000 2.459 50 K HA -0.015 4.305 4.320 0.000 0.000 0.193 50 K C 0.353 176.887 176.600 -0.110 0.000 1.030 50 K CA 0.048 56.265 56.287 -0.117 0.000 1.026 50 K CB -0.486 31.945 32.500 -0.115 0.000 0.809 50 K HN 0.200 nan 8.250 nan 0.000 0.504 51 N N 1.070 119.706 118.700 -0.106 0.000 2.727 51 N HA -0.163 4.577 4.740 0.000 0.000 0.251 51 N C 0.145 175.620 175.510 -0.057 0.000 1.040 51 N CA 0.930 53.955 53.050 -0.042 0.000 0.712 51 N CB -1.296 37.162 38.487 -0.049 0.000 0.912 51 N HN 0.101 nan 8.380 nan 0.000 0.545 52 T N -0.494 113.974 114.554 -0.144 0.000 2.701 52 T HA -0.120 4.231 4.350 0.000 0.000 0.263 52 T C 0.411 174.964 174.700 -0.246 0.000 1.040 52 T CA 1.411 63.326 62.100 -0.308 0.000 1.147 52 T CB -0.206 68.277 68.868 -0.642 0.000 0.865 52 T HN 0.390 nan 8.240 nan 0.000 0.426 53 Y N 2.603 122.993 120.300 0.150 0.000 2.691 53 Y HA 0.428 4.978 4.550 0.000 0.000 0.338 53 Y C 0.678 176.688 175.900 0.183 0.000 1.148 53 Y CA -1.113 57.103 58.100 0.194 0.000 1.430 53 Y CB -0.336 38.312 38.460 0.313 0.000 1.303 53 Y HN 0.001 nan 8.280 nan 0.000 0.499 54 R N 2.390 123.028 120.500 0.230 0.000 2.459 54 R HA 0.519 4.859 4.340 0.000 0.000 0.281 54 R C -1.013 175.394 176.300 0.178 0.000 1.050 54 R CA -0.565 55.638 56.100 0.172 0.000 1.055 54 R CB 0.636 30.994 30.300 0.097 0.000 1.045 54 R HN 0.611 nan 8.270 nan 0.000 0.495 55 L N 3.884 125.207 121.223 0.166 0.000 2.289 55 L HA 0.363 4.703 4.340 0.000 0.000 0.285 55 L C 0.203 177.153 176.870 0.134 0.000 1.049 55 L CA -0.407 54.535 54.840 0.169 0.000 0.804 55 L CB 1.483 43.658 42.059 0.195 0.000 1.195 55 L HN 0.522 nan 8.230 nan 0.000 0.428 56 K N 3.843 124.320 120.400 0.130 0.000 2.249 56 K HA 0.547 4.867 4.320 0.000 0.000 0.280 56 K C -0.614 176.046 176.600 0.100 0.000 1.033 56 K CA -0.351 55.992 56.287 0.094 0.000 0.946 56 K CB 1.076 33.625 32.500 0.082 0.000 1.005 56 K HN 0.422 nan 8.250 nan 0.000 0.469 57 L N 1.482 122.702 121.223 -0.005 0.000 2.391 57 L HA 0.519 4.859 4.340 0.000 0.000 0.266 57 L C -0.749 175.876 176.870 -0.409 0.000 1.035 57 L CA -1.118 53.637 54.840 -0.141 0.000 0.877 57 L CB 0.518 42.572 42.059 -0.008 0.000 1.504 57 L HN 0.538 nan 8.230 nan 0.000 0.503 58 Y N 0.259 120.113 120.300 -0.743 0.000 2.532 58 Y HA 0.204 4.754 4.550 0.000 0.000 0.318 58 Y C -0.292 175.489 175.900 -0.199 0.000 1.138 58 Y CA -0.431 57.375 58.100 -0.490 0.000 1.306 58 Y CB 1.250 39.199 38.460 -0.852 0.000 1.106 58 Y HN 0.473 nan 8.280 nan 0.000 0.588 59 S N 4.295 119.922 115.700 -0.121 0.000 2.443 59 S HA 0.374 4.844 4.470 0.000 0.000 0.284 59 S C -0.202 174.376 174.600 -0.037 0.000 1.206 59 S CA -0.195 57.981 58.200 -0.040 0.000 1.074 59 S CB -0.223 62.936 63.200 -0.068 0.000 0.963 59 S HN 0.567 nan 8.310 nan 0.000 0.501 60 L N 4.730 125.938 121.223 -0.026 0.000 2.569 60 L HA 0.706 5.046 4.340 0.000 0.000 0.247 60 L C 0.570 177.400 176.870 -0.067 0.000 1.135 60 L CA -0.225 54.514 54.840 -0.167 0.000 0.812 60 L CB 0.763 42.536 42.059 -0.477 0.000 1.431 60 L HN 0.613 nan 8.230 nan 0.000 0.499 61 R N 1.001 121.433 120.500 -0.114 0.000 3.146 61 R HA 0.050 4.390 4.340 0.000 0.000 0.235 61 R C -2.190 174.186 176.300 0.126 0.000 1.624 61 R CA -0.378 55.766 56.100 0.073 0.000 0.995 61 R CB 0.160 30.559 30.300 0.165 0.000 1.490 61 R HN 0.572 nan 8.270 nan 0.000 0.434 62 W N 5.410 126.835 121.300 0.209 0.000 2.565 62 W HA 0.126 4.786 4.660 0.000 0.000 0.325 62 W C 1.964 178.592 176.519 0.181 0.000 1.408 62 W CA -0.368 57.112 57.345 0.225 0.000 1.350 62 W CB 0.362 29.942 29.460 0.200 0.000 1.426 62 W HN 0.528 nan 8.180 nan 0.000 0.538 63 I N 0.317 121.111 120.570 0.374 0.000 3.228 63 I HA 0.082 4.252 4.170 0.000 0.000 0.279 63 I C 1.117 177.383 176.117 0.249 0.000 1.221 63 I CA 0.408 61.849 61.300 0.235 0.000 1.458 63 I CB -0.192 37.873 38.000 0.108 0.000 1.105 63 I HN 0.284 nan 8.210 nan 0.000 0.445 64 S N 0.053 115.956 115.700 0.337 0.000 3.331 64 S HA 0.327 4.797 4.470 0.000 0.000 0.316 64 S C 0.117 174.918 174.600 0.335 0.000 1.104 64 S CA 0.055 58.446 58.200 0.317 0.000 0.977 64 S CB 1.362 64.762 63.200 0.334 0.000 1.370 64 S HN 0.181 nan 8.310 nan 0.000 0.731 65 D N -1.377 119.218 120.400 0.324 0.000 2.398 65 D HA 0.285 4.925 4.640 0.000 0.000 0.210 65 D C 0.647 176.890 176.300 -0.095 0.000 1.094 65 D CA 0.346 54.361 54.000 0.026 0.000 0.839 65 D CB 0.138 40.865 40.800 -0.123 0.000 0.963 65 D HN 0.592 nan 8.370 nan 0.000 0.506 66 H N -1.401 117.856 119.070 0.312 0.000 3.457 66 H HA 0.463 5.019 4.556 0.000 0.000 0.255 66 H C -0.105 175.366 175.328 0.237 0.000 1.082 66 H CA -0.137 56.077 56.048 0.277 0.000 1.189 66 H CB 0.592 30.481 29.762 0.211 0.000 1.511 66 H HN 0.020 nan 8.280 nan 0.000 0.527 67 E N 0.186 120.661 120.200 0.458 0.000 2.410 67 E HA 0.495 4.845 4.350 0.000 0.000 0.269 67 E C -1.423 175.408 176.600 0.386 0.000 0.937 67 E CA -1.316 55.260 56.400 0.293 0.000 0.793 67 E CB 2.849 32.642 29.700 0.155 0.000 1.314 67 E HN 0.188 nan 8.360 nan 0.000 0.447 68 Y N -1.700 118.644 120.300 0.073 0.000 2.624 68 Y HA 0.558 5.108 4.550 0.000 0.000 0.334 68 Y C -1.991 173.895 175.900 -0.023 0.000 1.155 68 Y CA -1.325 56.726 58.100 -0.081 0.000 1.046 68 Y CB 0.735 38.837 38.460 -0.598 0.000 1.316 68 Y HN 0.344 nan 8.280 nan 0.000 0.457 69 L N 3.107 124.426 121.223 0.160 0.000 2.307 69 L HA 0.412 4.753 4.340 0.000 0.000 0.282 69 L C -1.282 175.741 176.870 0.255 0.000 1.051 69 L CA -0.928 53.966 54.840 0.090 0.000 0.804 69 L CB 1.258 43.290 42.059 -0.044 0.000 1.197 69 L HN 0.731 nan 8.230 nan 0.000 0.431 70 Y N 3.576 123.923 120.300 0.078 0.000 2.328 70 Y HA 0.283 4.833 4.550 0.000 0.000 0.333 70 Y C -0.134 175.731 175.900 -0.058 0.000 0.958 70 Y CA -1.122 56.976 58.100 -0.003 0.000 1.167 70 Y CB 1.232 39.695 38.460 0.004 0.000 1.151 70 Y HN 0.426 nan 8.280 nan 0.000 0.470 71 K N 5.299 125.388 120.400 -0.519 0.000 2.310 71 K HA 0.178 4.498 4.320 0.000 0.000 0.290 71 K C -0.307 175.916 176.600 -0.630 0.000 1.077 71 K CA 0.024 56.039 56.287 -0.454 0.000 0.922 71 K CB 0.440 32.766 32.500 -0.290 0.000 1.057 71 K HN 0.774 nan 8.250 nan 0.000 0.479 72 Q N 3.611 123.174 119.800 -0.396 0.000 2.465 72 Q HA 0.014 4.354 4.340 0.000 0.000 0.361 72 Q C -0.536 175.360 176.000 -0.174 0.000 0.957 72 Q CA -0.217 55.409 55.803 -0.294 0.000 1.065 72 Q CB 0.684 29.352 28.738 -0.117 0.000 1.274 72 Q HN 0.734 nan 8.270 nan 0.000 0.421 73 E N -0.109 119.981 120.200 -0.184 0.000 3.673 73 E HA -0.381 3.969 4.350 0.000 0.000 0.332 73 E C 0.890 177.431 176.600 -0.098 0.000 1.360 73 E CA 2.172 58.498 56.400 -0.125 0.000 1.757 73 E CB -1.059 28.582 29.700 -0.098 0.000 1.646 73 E HN 0.403 nan 8.360 nan 0.000 0.353 74 N N 1.254 119.910 118.700 -0.073 0.000 2.020 74 N HA -0.130 4.610 4.740 0.000 0.000 0.200 74 N C 0.139 175.618 175.510 -0.052 0.000 1.054 74 N CA 2.062 55.081 53.050 -0.053 0.000 0.874 74 N CB -0.292 38.173 38.487 -0.038 0.000 1.075 74 N HN 0.536 nan 8.380 nan 0.000 0.446 75 N N -0.526 118.144 118.700 -0.049 0.000 2.384 75 N HA 0.378 5.118 4.740 0.000 0.000 0.301 75 N C -1.183 174.293 175.510 -0.057 0.000 1.133 75 N CA -0.597 52.430 53.050 -0.038 0.000 0.853 75 N CB 1.879 40.354 38.487 -0.019 0.000 1.241 75 N HN 0.228 nan 8.380 nan 0.000 0.502 76 I N 1.467 122.009 120.570 -0.046 0.000 2.437 76 I HA 0.309 4.479 4.170 0.000 0.000 0.279 76 I C -0.883 175.253 176.117 0.032 0.000 1.028 76 I CA -0.937 60.320 61.300 -0.071 0.000 1.142 76 I CB 0.211 38.084 38.000 -0.212 0.000 1.266 76 I HN 0.617 nan 8.210 nan 0.000 0.461 77 L N 6.214 127.482 121.223 0.075 0.000 2.416 77 L HA 0.777 5.117 4.340 0.000 0.000 0.263 77 L C -0.745 176.188 176.870 0.106 0.000 1.065 77 L CA -0.731 54.164 54.840 0.092 0.000 0.798 77 L CB 1.434 43.503 42.059 0.017 0.000 1.267 77 L HN 0.348 nan 8.230 nan 0.000 0.467 78 V N 0.327 120.260 119.914 0.032 0.000 2.769 78 V HA 0.583 4.703 4.120 0.000 0.000 0.312 78 V C -0.966 175.014 176.094 -0.190 0.000 1.058 78 V CA -0.350 61.936 62.300 -0.024 0.000 0.952 78 V CB 1.793 33.628 31.823 0.021 0.000 1.019 78 V HN 0.617 nan 8.190 nan 0.000 0.445 79 F N 3.668 123.327 119.950 -0.485 0.000 2.561 79 F HA 0.518 5.045 4.527 0.000 0.000 0.321 79 F C 0.316 175.859 175.800 -0.428 0.000 1.065 79 F CA -0.691 56.977 58.000 -0.553 0.000 0.934 79 F CB 1.806 40.218 39.000 -0.981 0.000 1.215 79 F HN 0.474 nan 8.300 nan 0.000 0.471 80 N N 1.682 120.357 118.700 -0.042 0.000 2.546 80 N HA 0.271 5.011 4.740 0.000 0.000 0.238 80 N C 0.581 176.086 175.510 -0.008 0.000 0.984 80 N CA 0.155 53.210 53.050 0.009 0.000 0.935 80 N CB 1.588 40.122 38.487 0.079 0.000 1.122 80 N HN 0.795 nan 8.380 nan 0.000 0.510 81 A N 3.475 126.252 122.820 -0.070 0.000 1.940 81 A HA -0.274 4.046 4.320 0.000 0.000 0.221 81 A C 1.919 179.273 177.584 -0.383 0.000 1.190 81 A CA 2.058 53.952 52.037 -0.239 0.000 0.647 81 A CB -0.526 18.113 19.000 -0.601 0.000 0.821 81 A HN 0.776 nan 8.150 nan 0.000 0.457 82 E N -0.885 119.071 120.200 -0.406 0.000 2.013 82 E HA -0.213 4.137 4.350 0.000 0.000 0.202 82 E C 1.620 177.948 176.600 -0.454 0.000 1.018 82 E CA 2.379 58.532 56.400 -0.413 0.000 0.834 82 E CB -0.468 28.914 29.700 -0.529 0.000 0.770 82 E HN 0.744 nan 8.360 nan 0.000 0.459 83 Y N -2.401 117.909 120.300 0.016 0.000 2.524 83 Y HA 0.373 4.923 4.550 0.000 0.000 0.270 83 Y C 1.555 177.468 175.900 0.020 0.000 1.094 83 Y CA 0.247 58.357 58.100 0.018 0.000 1.276 83 Y CB 0.918 39.385 38.460 0.012 0.000 1.130 83 Y HN 0.277 nan 8.280 nan 0.000 0.536 84 G N 0.327 109.229 108.800 0.169 0.000 2.138 84 G HA2 -0.251 3.709 3.960 0.000 0.000 0.193 84 G HA3 -0.251 3.709 3.960 0.000 0.000 0.193 84 G C -0.590 174.397 174.900 0.145 0.000 0.998 84 G CA -0.490 44.726 45.100 0.193 0.000 0.668 84 G HN 0.255 nan 8.290 nan 0.000 0.516 85 N N 1.090 119.826 118.700 0.059 0.000 2.353 85 N HA 0.360 5.100 4.740 0.000 0.000 0.248 85 N C 1.348 176.633 175.510 -0.375 0.000 1.240 85 N CA 0.911 53.907 53.050 -0.090 0.000 0.862 85 N CB 0.829 39.283 38.487 -0.056 0.000 1.086 85 N HN 0.282 nan 8.380 nan 0.000 0.453 86 S N 0.591 116.039 115.700 -0.419 0.000 2.272 86 S HA 0.149 4.619 4.470 0.000 0.000 0.161 86 S C -0.020 174.286 174.600 -0.490 0.000 1.293 86 S CA 0.221 58.011 58.200 -0.682 0.000 2.027 86 S CB -0.210 62.767 63.200 -0.372 0.000 0.565 86 S HN 0.779 nan 8.310 nan 0.000 0.364 87 S N 0.173 115.703 115.700 -0.282 0.000 3.373 87 S HA -0.137 4.333 4.470 0.000 0.000 0.728 87 S C -0.684 173.837 174.600 -0.132 0.000 0.612 87 S CA 0.049 58.146 58.200 -0.172 0.000 1.473 87 S CB -1.078 62.038 63.200 -0.139 0.000 0.990 87 S HN 0.672 nan 8.310 nan 0.000 0.936 88 V N 7.309 127.173 119.914 -0.083 0.000 2.637 88 V HA 0.509 4.629 4.120 0.000 0.000 0.296 88 V C 0.981 177.095 176.094 0.033 0.000 1.046 88 V CA 1.052 63.338 62.300 -0.023 0.000 1.066 88 V CB 1.062 32.865 31.823 -0.033 0.000 0.968 88 V HN 0.955 nan 8.190 nan 0.000 0.483 89 F N 6.775 126.686 119.950 -0.064 0.000 2.505 89 F HA 0.512 5.039 4.527 0.000 0.000 0.289 89 F C 0.011 175.795 175.800 -0.027 0.000 1.101 89 F CA 0.181 58.156 58.000 -0.041 0.000 1.446 89 F CB 0.623 39.607 39.000 -0.027 0.000 1.123 89 F HN 0.424 nan 8.300 nan 0.000 0.564 90 L N 1.193 122.511 121.223 0.159 0.000 2.611 90 L HA 0.282 4.622 4.340 0.000 0.000 0.260 90 L C -1.056 175.840 176.870 0.043 0.000 0.924 90 L CA -0.468 54.416 54.840 0.073 0.000 0.901 90 L CB 1.618 43.824 42.059 0.245 0.000 1.369 90 L HN 0.305 nan 8.230 nan 0.000 0.415 91 E N 1.572 121.764 120.200 -0.014 0.000 2.316 91 E HA 0.469 4.819 4.350 0.000 0.000 0.258 91 E C -0.007 176.584 176.600 -0.016 0.000 0.952 91 E CA -0.619 55.770 56.400 -0.019 0.000 0.818 91 E CB 0.877 30.554 29.700 -0.038 0.000 1.260 91 E HN 0.578 nan 8.360 nan 0.000 0.416 92 N N 1.424 120.113 118.700 -0.018 0.000 2.027 92 N HA -0.370 4.370 4.740 0.000 0.000 0.200 92 N C 1.728 177.231 175.510 -0.013 0.000 1.042 92 N CA 2.572 55.614 53.050 -0.014 0.000 0.871 92 N CB -1.132 37.342 38.487 -0.022 0.000 1.063 92 N HN 0.591 nan 8.380 nan 0.000 0.438 93 S N -1.078 114.602 115.700 -0.035 0.000 2.419 93 S HA -0.123 4.347 4.470 0.000 0.000 0.233 93 S C 1.742 176.287 174.600 -0.093 0.000 1.016 93 S CA 1.431 59.603 58.200 -0.047 0.000 0.974 93 S CB -1.459 61.711 63.200 -0.051 0.000 0.786 93 S HN 0.435 nan 8.310 nan 0.000 0.492 94 T N 0.844 115.309 114.554 -0.148 0.000 2.946 94 T HA -0.043 4.308 4.350 0.000 0.000 0.270 94 T C -0.024 174.286 174.700 -0.650 0.000 1.129 94 T CA 1.100 62.988 62.100 -0.353 0.000 1.103 94 T CB -0.497 68.157 68.868 -0.357 0.000 0.839 94 T HN 0.526 nan 8.240 nan 0.000 0.544 95 F N 0.786 120.660 119.950 -0.126 0.000 2.556 95 F HA 0.341 4.868 4.527 0.000 0.000 0.384 95 F C -0.227 175.535 175.800 -0.064 0.000 1.493 95 F CA -1.569 56.347 58.000 -0.140 0.000 1.119 95 F CB 0.486 39.338 39.000 -0.247 0.000 1.280 95 F HN -0.086 nan 8.300 nan 0.000 0.525 96 D N -0.413 120.042 120.400 0.092 0.000 2.539 96 D HA 0.290 4.930 4.640 0.000 0.000 0.276 96 D C 0.645 177.012 176.300 0.111 0.000 1.206 96 D CA -0.227 53.821 54.000 0.080 0.000 1.081 96 D CB 0.337 41.150 40.800 0.021 0.000 1.142 96 D HN 0.105 nan 8.370 nan 0.000 0.595 97 E N -1.293 118.946 120.200 0.066 0.000 2.604 97 E HA -0.273 4.077 4.350 0.000 0.000 0.255 97 E C 0.225 176.862 176.600 0.061 0.000 1.164 97 E CA 0.178 56.600 56.400 0.037 0.000 0.737 97 E CB -1.378 28.328 29.700 0.010 0.000 1.317 97 E HN 0.367 nan 8.360 nan 0.000 0.417 98 F N -1.083 118.839 119.950 -0.047 0.000 2.559 98 F HA 0.270 4.797 4.527 0.000 0.000 0.286 98 F C 2.006 177.719 175.800 -0.146 0.000 1.108 98 F CA 1.584 59.546 58.000 -0.063 0.000 1.436 98 F CB 0.437 39.417 39.000 -0.033 0.000 1.130 98 F HN 0.159 nan 8.300 nan 0.000 0.584 99 G N -0.326 108.527 108.800 0.089 0.000 4.890 99 G HA2 -0.271 3.689 3.960 0.000 0.000 0.221 99 G HA3 -0.271 3.689 3.960 0.000 0.000 0.221 99 G C 0.089 174.945 174.900 -0.074 0.000 1.472 99 G CA 0.121 45.153 45.100 -0.113 0.000 0.962 99 G HN 0.416 nan 8.290 nan 0.000 0.671 100 H N 1.851 121.062 119.070 0.235 0.000 2.899 100 H HA 0.464 5.020 4.556 0.000 0.000 0.303 100 H C 0.701 176.040 175.328 0.019 0.000 1.042 100 H CA 0.702 56.834 56.048 0.140 0.000 1.479 100 H CB 1.112 30.925 29.762 0.086 0.000 1.493 100 H HN 0.388 nan 8.280 nan 0.000 0.534 101 S N 4.351 120.111 115.700 0.100 0.000 2.498 101 S HA 0.036 4.506 4.470 0.000 0.000 0.281 101 S C 0.609 175.175 174.600 -0.058 0.000 1.265 101 S CA -0.985 57.209 58.200 -0.009 0.000 1.071 101 S CB -0.337 62.867 63.200 0.006 0.000 0.894 101 S HN 0.352 nan 8.310 nan 0.000 0.491 102 I N 6.596 127.051 120.570 -0.191 0.000 2.574 102 I HA -0.014 4.156 4.170 0.000 0.000 0.291 102 I C 1.911 177.946 176.117 -0.137 0.000 1.131 102 I CA 0.283 61.450 61.300 -0.223 0.000 1.352 102 I CB -0.901 36.876 38.000 -0.371 0.000 1.431 102 I HN 0.816 nan 8.210 nan 0.000 0.543 103 N N 5.052 123.690 118.700 -0.104 0.000 2.223 103 N HA -0.131 4.609 4.740 0.000 0.000 0.185 103 N C 0.438 175.845 175.510 -0.172 0.000 1.016 103 N CA 1.318 54.276 53.050 -0.153 0.000 0.863 103 N CB 0.660 39.035 38.487 -0.187 0.000 0.983 103 N HN 0.726 nan 8.380 nan 0.000 0.429 104 D N -2.479 117.846 120.400 -0.124 0.000 2.725 104 D HA 0.094 4.734 4.640 0.000 0.000 0.292 104 D C -1.488 174.841 176.300 0.047 0.000 1.288 104 D CA -0.463 53.508 54.000 -0.047 0.000 0.784 104 D CB 0.926 41.653 40.800 -0.122 0.000 1.308 104 D HN 0.046 nan 8.370 nan 0.000 0.429 105 Y N -0.457 119.817 120.300 -0.044 0.000 2.790 105 Y HA 0.766 5.316 4.550 0.000 0.000 0.323 105 Y C -1.271 174.690 175.900 0.101 0.000 1.230 105 Y CA -0.955 57.155 58.100 0.016 0.000 1.121 105 Y CB 1.609 40.076 38.460 0.012 0.000 1.328 105 Y HN 0.207 nan 8.280 nan 0.000 0.514 106 S N 1.073 116.715 115.700 -0.097 0.000 2.482 106 S HA 0.460 4.930 4.470 0.000 0.000 0.295 106 S C -1.756 173.101 174.600 0.429 0.000 1.038 106 S CA -0.601 57.560 58.200 -0.064 0.000 0.968 106 S CB -0.312 62.932 63.200 0.074 0.000 1.182 106 S HN 0.729 nan 8.310 nan 0.000 0.441 107 I N 4.208 124.985 120.570 0.345 0.000 2.428 107 I HA 0.379 4.549 4.170 0.000 0.000 0.296 107 I C 1.055 177.080 176.117 -0.154 0.000 0.985 107 I CA -0.647 60.819 61.300 0.276 0.000 1.260 107 I CB 1.849 40.008 38.000 0.266 0.000 1.389 107 I HN 0.730 nan 8.210 nan 0.000 0.484 108 S N 5.044 120.355 115.700 -0.647 0.000 2.576 108 S HA 0.158 4.628 4.470 0.000 0.000 0.272 108 S C -1.938 172.358 174.600 -0.507 0.000 1.352 108 S CA -0.835 56.540 58.200 -1.375 0.000 1.021 108 S CB 0.699 62.975 63.200 -1.540 0.000 0.887 108 S HN 0.414 nan 8.310 nan 0.000 0.542 109 P HA -0.135 nan 4.420 nan 0.000 0.214 109 P C 1.110 178.359 177.300 -0.086 0.000 1.163 109 P CA 1.522 64.539 63.100 -0.138 0.000 0.883 109 P CB -0.186 31.454 31.700 -0.099 0.000 0.788 110 D N -0.839 119.504 120.400 -0.094 0.000 2.384 110 D HA -0.062 4.578 4.640 0.000 0.000 0.222 110 D C 1.298 177.567 176.300 -0.051 0.000 0.976 110 D CA 1.174 55.153 54.000 -0.035 0.000 0.915 110 D CB -1.397 39.424 40.800 0.035 0.000 0.896 110 D HN 0.266 nan 8.370 nan 0.000 0.523 111 G N 0.306 109.061 108.800 -0.074 0.000 2.225 111 G HA2 -0.379 3.581 3.960 0.000 0.000 0.267 111 G HA3 -0.379 3.581 3.960 0.000 0.000 0.267 111 G C 0.773 175.622 174.900 -0.086 0.000 1.024 111 G CA 0.682 45.776 45.100 -0.011 0.000 0.784 111 G HN 0.507 nan 8.290 nan 0.000 0.507 112 Q N -1.870 117.777 119.800 -0.256 0.000 2.373 112 Q HA 0.372 4.712 4.340 0.000 0.000 0.210 112 Q C 0.471 176.016 176.000 -0.758 0.000 0.913 112 Q CA 0.549 56.011 55.803 -0.568 0.000 0.911 112 Q CB 0.579 28.799 28.738 -0.863 0.000 1.040 112 Q HN 0.549 nan 8.270 nan 0.000 0.521 113 F N -0.148 119.763 119.950 -0.066 0.000 2.618 113 F HA 0.567 5.094 4.527 0.000 0.000 0.332 113 F C -0.424 175.522 175.800 0.242 0.000 1.061 113 F CA -1.357 56.699 58.000 0.092 0.000 0.974 113 F CB 1.638 40.751 39.000 0.189 0.000 1.310 113 F HN -0.215 nan 8.300 nan 0.000 0.491 114 I N 2.340 123.309 120.570 0.665 0.000 2.586 114 I HA 0.392 4.562 4.170 0.000 0.000 0.288 114 I C -1.960 174.514 176.117 0.595 0.000 1.147 114 I CA -0.923 60.757 61.300 0.633 0.000 1.047 114 I CB 1.437 39.786 38.000 0.582 0.000 1.244 114 I HN 0.508 nan 8.210 nan 0.000 0.429 115 L N 8.211 129.781 121.223 0.579 0.000 2.331 115 L HA 0.467 4.807 4.340 0.000 0.000 0.278 115 L C -1.242 175.768 176.870 0.234 0.000 1.106 115 L CA 0.179 55.214 54.840 0.324 0.000 0.824 115 L CB 0.990 43.123 42.059 0.122 0.000 1.142 115 L HN 0.521 nan 8.230 nan 0.000 0.443 116 L N 5.425 126.747 121.223 0.165 0.000 2.276 116 L HA 0.436 4.776 4.340 0.000 0.000 0.286 116 L C -0.044 176.862 176.870 0.060 0.000 1.024 116 L CA -0.322 54.531 54.840 0.022 0.000 0.826 116 L CB 1.270 43.236 42.059 -0.155 0.000 1.211 116 L HN 0.623 nan 8.230 nan 0.000 0.422 117 E N 4.582 124.752 120.200 -0.050 0.000 2.044 117 E HA 0.277 4.627 4.350 0.000 0.000 0.282 117 E C -1.400 175.103 176.600 -0.163 0.000 1.031 117 E CA -0.509 55.718 56.400 -0.288 0.000 0.824 117 E CB 0.568 30.123 29.700 -0.241 0.000 1.076 117 E HN 0.449 nan 8.360 nan 0.000 0.395 118 Y N 1.776 121.871 120.300 -0.341 0.000 2.662 118 Y HA 0.466 5.016 4.550 0.000 0.000 0.335 118 Y C -0.003 175.791 175.900 -0.176 0.000 1.066 118 Y CA -1.850 56.127 58.100 -0.205 0.000 1.116 118 Y CB 0.557 38.936 38.460 -0.135 0.000 1.308 118 Y HN 0.397 nan 8.280 nan 0.000 0.502 119 N N 0.195 118.887 118.700 -0.014 0.000 2.714 119 N HA -0.295 4.445 4.740 0.000 0.000 0.253 119 N C -1.279 174.167 175.510 -0.107 0.000 1.024 119 N CA 0.937 53.932 53.050 -0.091 0.000 0.726 119 N CB -1.389 36.946 38.487 -0.254 0.000 0.908 119 N HN 0.868 nan 8.380 nan 0.000 0.542 120 Y N -0.292 119.909 120.300 -0.164 0.000 2.359 120 Y HA 0.400 4.950 4.550 0.000 0.000 0.330 120 Y C 0.016 175.858 175.900 -0.096 0.000 1.143 120 Y CA -0.316 57.681 58.100 -0.171 0.000 1.318 120 Y CB 0.954 39.263 38.460 -0.252 0.000 1.234 120 Y HN 0.003 nan 8.280 nan 0.000 0.522 121 V N 8.008 127.481 119.914 -0.735 0.000 2.443 121 V HA 0.165 4.285 4.120 0.000 0.000 0.272 121 V C -0.205 175.474 176.094 -0.692 0.000 1.002 121 V CA -1.301 60.641 62.300 -0.596 0.000 0.840 121 V CB 0.849 32.507 31.823 -0.275 0.000 1.042 121 V HN 0.824 nan 8.190 nan 0.000 0.446 122 K N 3.045 122.905 120.400 -0.901 0.000 2.494 122 K HA 0.049 4.369 4.320 0.000 0.000 0.273 122 K C 0.513 176.945 176.600 -0.279 0.000 0.970 122 K CA 0.802 56.834 56.287 -0.425 0.000 0.963 122 K CB 0.972 33.420 32.500 -0.087 0.000 0.913 122 K HN 0.772 nan 8.250 nan 0.000 0.502 123 Q N 2.145 121.795 119.800 -0.251 0.000 1.989 123 Q HA 0.185 4.525 4.340 0.000 0.000 0.166 123 Q C -0.201 175.603 176.000 -0.326 0.000 0.536 123 Q CA -0.513 54.959 55.803 -0.552 0.000 0.651 123 Q CB 0.233 28.484 28.738 -0.811 0.000 1.468 123 Q HN 0.727 nan 8.270 nan 0.000 0.350 124 W N 0.353 121.666 121.300 0.022 0.000 2.048 124 W HA 0.366 5.026 4.660 0.000 0.000 0.572 124 W C 1.636 178.155 176.519 -0.001 0.000 1.941 124 W CA -0.613 56.761 57.345 0.048 0.000 2.181 124 W CB -0.007 29.437 29.460 -0.026 0.000 2.444 124 W HN 0.369 nan 8.180 nan 0.000 0.765 125 R N -0.183 120.445 120.500 0.213 0.000 2.097 125 R HA -0.218 4.122 4.340 0.000 0.000 0.236 125 R C 1.643 177.836 176.300 -0.179 0.000 1.135 125 R CA 2.572 58.627 56.100 -0.074 0.000 0.934 125 R CB -0.682 29.438 30.300 -0.301 0.000 0.846 125 R HN 0.563 nan 8.270 nan 0.000 0.431 126 H N -1.137 118.025 119.070 0.154 0.000 2.729 126 H HA 0.274 4.830 4.556 0.000 0.000 0.263 126 H C 0.344 175.782 175.328 0.183 0.000 0.961 126 H CA 0.345 56.517 56.048 0.207 0.000 1.217 126 H CB 0.368 30.240 29.762 0.183 0.000 1.447 126 H HN 0.229 nan 8.280 nan 0.000 0.496 127 S N 1.130 116.828 115.700 -0.002 0.000 2.585 127 S HA 0.305 4.775 4.470 0.000 0.000 0.273 127 S C -0.553 173.930 174.600 -0.195 0.000 1.339 127 S CA -0.541 57.316 58.200 -0.573 0.000 1.028 127 S CB 0.394 62.925 63.200 -1.115 0.000 0.906 127 S HN 0.450 nan 8.310 nan 0.000 0.528 128 Y N -2.446 117.732 120.300 -0.204 0.000 2.522 128 Y HA 0.581 5.131 4.550 0.000 0.000 0.326 128 Y C -0.682 175.183 175.900 -0.057 0.000 1.198 128 Y CA -0.978 57.014 58.100 -0.181 0.000 1.112 128 Y CB 0.541 38.934 38.460 -0.112 0.000 1.342 128 Y HN 0.768 nan 8.280 nan 0.000 0.460 129 T N 1.815 116.392 114.554 0.038 0.000 2.928 129 T HA 0.940 5.290 4.350 0.000 0.000 0.284 129 T C -0.420 174.349 174.700 0.114 0.000 1.008 129 T CA 0.428 62.577 62.100 0.083 0.000 1.057 129 T CB 0.755 69.619 68.868 -0.007 0.000 1.018 129 T HN 1.792 nan 8.240 nan 0.000 0.493 130 A N 2.296 125.190 122.820 0.124 0.000 2.544 130 A HA 0.647 4.967 4.320 0.000 0.000 0.291 130 A C -0.683 176.745 177.584 -0.260 0.000 1.055 130 A CA -0.833 51.149 52.037 -0.092 0.000 0.651 130 A CB 0.926 19.863 19.000 -0.104 0.000 1.296 130 A HN 0.781 nan 8.150 nan 0.000 0.431 131 S N -0.428 114.884 115.700 -0.647 0.000 2.617 131 S HA 0.808 5.278 4.470 0.000 0.000 0.283 131 S C -1.418 172.577 174.600 -1.007 0.000 1.189 131 S CA -0.059 57.662 58.200 -0.799 0.000 1.036 131 S CB 0.572 62.990 63.200 -1.303 0.000 1.014 131 S HN 0.465 nan 8.310 nan 0.000 0.522 132 Y N 0.014 120.076 120.300 -0.396 0.000 2.504 132 Y HA 0.499 5.049 4.550 0.000 0.000 0.344 132 Y C -0.451 175.480 175.900 0.052 0.000 1.023 132 Y CA -1.000 57.019 58.100 -0.135 0.000 1.020 132 Y CB 1.766 40.104 38.460 -0.204 0.000 1.282 132 Y HN 0.485 nan 8.280 nan 0.000 0.454 133 D N 2.511 123.114 120.400 0.339 0.000 2.879 133 D HA 0.519 5.159 4.640 0.000 0.000 0.236 133 D C -0.932 175.513 176.300 0.242 0.000 1.171 133 D CA -0.317 53.854 54.000 0.285 0.000 0.868 133 D CB 2.717 43.743 40.800 0.377 0.000 1.598 133 D HN 0.413 nan 8.370 nan 0.000 0.497 134 I N 1.885 122.583 120.570 0.213 0.000 2.392 134 I HA 0.256 4.426 4.170 0.000 0.000 0.295 134 I C -0.772 175.592 176.117 0.411 0.000 0.985 134 I CA -0.910 60.557 61.300 0.278 0.000 1.221 134 I CB 1.243 39.333 38.000 0.150 0.000 1.366 134 I HN 0.234 nan 8.210 nan 0.000 0.467 135 Y N 5.373 125.897 120.300 0.372 0.000 2.352 135 Y HA 0.318 4.868 4.550 0.000 0.000 0.339 135 Y C -0.355 175.811 175.900 0.444 0.000 0.992 135 Y CA -0.967 57.374 58.100 0.403 0.000 1.100 135 Y CB 1.199 39.970 38.460 0.519 0.000 1.192 135 Y HN 0.491 nan 8.280 nan 0.000 0.458 136 D N 5.975 126.280 120.400 -0.158 0.000 2.295 136 D HA 0.131 4.771 4.640 0.000 0.000 0.248 136 D C 0.390 176.344 176.300 -0.576 0.000 1.154 136 D CA 0.161 54.063 54.000 -0.163 0.000 0.857 136 D CB 1.145 41.922 40.800 -0.037 0.000 1.117 136 D HN 0.869 nan 8.370 nan 0.000 0.468 137 L N 3.437 124.415 121.223 -0.409 0.000 2.509 137 L HA 0.045 4.385 4.340 0.000 0.000 0.222 137 L C 1.590 178.282 176.870 -0.297 0.000 1.123 137 L CA 0.051 54.701 54.840 -0.316 0.000 0.856 137 L CB -0.053 41.891 42.059 -0.191 0.000 0.985 137 L HN 0.309 nan 8.230 nan 0.000 0.456 138 N N 1.259 119.760 118.700 -0.332 0.000 2.412 138 N HA -0.056 4.684 4.740 0.000 0.000 0.184 138 N C 1.062 176.461 175.510 -0.186 0.000 1.101 138 N CA 0.636 53.538 53.050 -0.247 0.000 0.881 138 N CB 0.294 38.623 38.487 -0.263 0.000 0.969 138 N HN 0.526 nan 8.380 nan 0.000 0.459 139 K N -0.459 119.818 120.400 -0.205 0.000 2.586 139 K HA 0.258 4.578 4.320 0.000 0.000 0.198 139 K C -0.249 176.253 176.600 -0.164 0.000 1.170 139 K CA -0.418 55.781 56.287 -0.147 0.000 1.069 139 K CB 0.726 33.164 32.500 -0.104 0.000 0.944 139 K HN -0.335 nan 8.250 nan 0.000 0.572 140 R N 1.314 121.662 120.500 -0.254 0.000 3.610 140 R HA -0.174 4.166 4.340 0.000 0.000 0.274 140 R C -0.863 175.347 176.300 -0.150 0.000 1.123 140 R CA 1.036 57.011 56.100 -0.209 0.000 0.747 140 R CB -2.553 27.731 30.300 -0.028 0.000 1.149 140 R HN 0.627 nan 8.270 nan 0.000 0.471 141 Q N 0.138 119.748 119.800 -0.316 0.000 2.309 141 Q HA 0.406 4.746 4.340 0.000 0.000 0.264 141 Q C -0.256 175.758 176.000 0.022 0.000 1.008 141 Q CA -1.238 54.543 55.803 -0.037 0.000 0.853 141 Q CB 2.019 30.749 28.738 -0.013 0.000 1.314 141 Q HN 0.031 nan 8.270 nan 0.000 0.448 142 L N 3.600 125.039 121.223 0.360 0.000 2.325 142 L HA 0.269 4.609 4.340 0.000 0.000 0.284 142 L C -0.397 176.618 176.870 0.241 0.000 1.089 142 L CA 0.164 55.291 54.840 0.479 0.000 0.836 142 L CB 0.078 42.417 42.059 0.468 0.000 1.184 142 L HN 0.536 nan 8.230 nan 0.000 0.444 143 I N 4.852 125.548 120.570 0.209 0.000 2.741 143 I HA -0.064 4.106 4.170 0.000 0.000 0.288 143 I C 1.170 177.344 176.117 0.095 0.000 1.192 143 I CA 0.749 62.121 61.300 0.121 0.000 1.426 143 I CB 0.319 38.373 38.000 0.090 0.000 1.367 143 I HN 0.800 nan 8.210 nan 0.000 0.563 144 T N 0.936 115.524 114.554 0.057 0.000 3.010 144 T HA 0.216 4.566 4.350 0.000 0.000 0.257 144 T C 0.510 175.214 174.700 0.006 0.000 1.020 144 T CA -0.386 61.734 62.100 0.034 0.000 0.938 144 T CB 0.079 68.963 68.868 0.026 0.000 1.049 144 T HN 0.533 nan 8.240 nan 0.000 0.522 145 E N 2.075 122.275 120.200 0.000 0.000 2.313 145 E HA 0.258 4.608 4.350 0.000 0.000 0.272 145 E C -0.261 176.315 176.600 -0.039 0.000 1.038 145 E CA -0.713 55.677 56.400 -0.018 0.000 0.863 145 E CB 0.504 30.197 29.700 -0.012 0.000 1.060 145 E HN 0.149 nan 8.360 nan 0.000 0.402 146 E N 1.531 121.698 120.200 -0.056 0.000 2.294 146 E HA -0.260 4.090 4.350 0.000 0.000 0.228 146 E C -0.486 176.045 176.600 -0.116 0.000 1.253 146 E CA 0.800 57.149 56.400 -0.084 0.000 0.716 146 E CB -1.231 28.427 29.700 -0.071 0.000 1.184 146 E HN 0.484 nan 8.360 nan 0.000 0.374 147 R N -0.403 120.030 120.500 -0.112 0.000 2.817 147 R HA 0.132 4.472 4.340 0.000 0.000 0.264 147 R C 1.213 177.362 176.300 -0.251 0.000 1.009 147 R CA 0.077 56.096 56.100 -0.134 0.000 1.133 147 R CB 0.332 30.581 30.300 -0.084 0.000 1.013 147 R HN 0.159 nan 8.270 nan 0.000 0.453 148 I N 3.228 123.609 120.570 -0.314 0.000 2.588 148 I HA 0.075 4.245 4.170 0.000 0.000 0.283 148 I C -1.762 174.069 176.117 -0.476 0.000 1.119 148 I CA -1.903 59.059 61.300 -0.564 0.000 1.419 148 I CB 0.734 38.351 38.000 -0.638 0.000 1.394 148 I HN 0.276 nan 8.210 nan 0.000 0.562 149 P HA 0.001 nan 4.420 nan 0.000 0.266 149 P C -0.740 176.370 177.300 -0.317 0.000 1.193 149 P CA -0.020 62.699 63.100 -0.635 0.000 0.770 149 P CB 0.301 31.163 31.700 -1.395 0.000 0.836 150 N N 2.584 121.177 118.700 -0.178 0.000 2.399 150 N HA 0.026 4.766 4.740 0.000 0.000 0.250 150 N C 0.437 175.994 175.510 0.079 0.000 1.272 150 N CA 0.164 53.167 53.050 -0.080 0.000 0.928 150 N CB -0.199 38.247 38.487 -0.069 0.000 1.158 150 N HN 0.424 nan 8.380 nan 0.000 0.463 151 N N -0.586 118.151 118.700 0.062 0.000 2.740 151 N HA -0.156 4.584 4.740 0.000 0.000 0.248 151 N C -0.887 174.785 175.510 0.270 0.000 1.062 151 N CA 0.749 53.878 53.050 0.133 0.000 0.704 151 N CB -1.288 37.279 38.487 0.133 0.000 0.968 151 N HN 0.462 nan 8.380 nan 0.000 0.547 152 T N 0.507 115.225 114.554 0.273 0.000 2.856 152 T HA 0.192 4.542 4.350 0.000 0.000 0.292 152 T C 1.664 176.535 174.700 0.285 0.000 0.980 152 T CA -0.168 62.128 62.100 0.327 0.000 1.091 152 T CB 1.506 70.458 68.868 0.141 0.000 0.936 152 T HN 0.151 nan 8.240 nan 0.000 0.503 153 Q N 1.617 121.580 119.800 0.273 0.000 2.212 153 Q HA 0.135 4.475 4.340 0.000 0.000 0.199 153 Q C 0.062 176.294 176.000 0.387 0.000 0.950 153 Q CA 0.615 56.608 55.803 0.317 0.000 0.863 153 Q CB 0.638 29.565 28.738 0.315 0.000 0.944 153 Q HN 0.650 nan 8.270 nan 0.000 0.465 154 W N -0.064 121.234 121.300 -0.002 0.000 3.707 154 W HA 0.425 5.085 4.660 0.000 0.000 0.294 154 W C -2.259 174.158 176.519 -0.170 0.000 1.248 154 W CA -0.626 56.654 57.345 -0.109 0.000 1.217 154 W CB 1.109 30.443 29.460 -0.210 0.000 1.306 154 W HN -0.380 nan 8.180 nan 0.000 0.532 155 V N 3.939 123.304 119.914 -0.914 0.000 2.604 155 V HA 0.687 4.807 4.120 0.000 0.000 0.305 155 V C -0.231 175.429 176.094 -0.723 0.000 1.043 155 V CA -0.488 61.378 62.300 -0.724 0.000 0.888 155 V CB 2.050 33.255 31.823 -1.030 0.000 0.995 155 V HN 0.462 nan 8.190 nan 0.000 0.429 156 T N 2.609 117.022 114.554 -0.235 0.000 2.928 156 T HA 0.414 4.764 4.350 0.000 0.000 0.296 156 T C -0.847 173.954 174.700 0.168 0.000 1.000 156 T CA -0.391 61.747 62.100 0.064 0.000 0.989 156 T CB 1.051 70.170 68.868 0.419 0.000 1.005 156 T HN 0.588 nan 8.240 nan 0.000 0.442 157 W N 2.457 123.826 121.300 0.115 0.000 2.215 157 W HA 0.423 5.083 4.660 0.000 0.000 0.342 157 W C 1.122 177.548 176.519 -0.155 0.000 1.237 157 W CA -0.701 56.657 57.345 0.020 0.000 1.283 157 W CB 0.780 30.248 29.460 0.013 0.000 1.131 157 W HN 0.708 nan 8.180 nan 0.000 0.606 158 S N 2.194 117.776 115.700 -0.197 0.000 2.593 158 S HA 0.161 4.631 4.470 0.000 0.000 0.269 158 S C -1.430 172.967 174.600 -0.338 0.000 1.334 158 S CA -1.070 56.520 58.200 -1.017 0.000 1.015 158 S CB 1.170 63.622 63.200 -1.247 0.000 0.912 158 S HN 0.411 nan 8.310 nan 0.000 0.541 159 P HA 0.068 nan 4.420 nan 0.000 0.226 159 P C -0.276 176.978 177.300 -0.077 0.000 1.153 159 P CA 0.540 63.608 63.100 -0.054 0.000 0.777 159 P CB -0.033 31.678 31.700 0.018 0.000 0.794 160 V N -1.217 118.602 119.914 -0.159 0.000 2.733 160 V HA 0.637 4.757 4.120 0.000 0.000 0.306 160 V C 0.555 176.544 176.094 -0.175 0.000 1.084 160 V CA 0.019 62.244 62.300 -0.125 0.000 0.905 160 V CB 1.114 32.879 31.823 -0.098 0.000 1.010 160 V HN 0.454 nan 8.190 nan 0.000 0.424 161 G N 3.529 112.252 108.800 -0.128 0.000 2.503 161 G HA2 -0.139 3.821 3.960 0.000 0.000 0.235 161 G HA3 -0.139 3.821 3.960 0.000 0.000 0.235 161 G C 0.029 174.867 174.900 -0.104 0.000 1.179 161 G CA 0.368 45.382 45.100 -0.142 0.000 0.944 161 G HN 1.784 nan 8.290 nan 0.000 0.580 162 H N -0.159 118.892 119.070 -0.032 0.000 2.904 162 H HA 0.402 4.958 4.556 0.000 0.000 0.242 162 H C 0.297 175.805 175.328 0.300 0.000 1.193 162 H CA -0.074 56.000 56.048 0.044 0.000 0.946 162 H CB -0.154 29.742 29.762 0.223 0.000 2.135 162 H HN 0.521 nan 8.280 nan 0.000 0.652 163 K N 1.594 122.007 120.400 0.023 0.000 2.258 163 K HA 0.467 4.787 4.320 0.000 0.000 0.264 163 K C -0.337 176.396 176.600 0.221 0.000 1.007 163 K CA -0.313 55.998 56.287 0.040 0.000 0.941 163 K CB 1.611 33.957 32.500 -0.256 0.000 0.966 163 K HN 0.107 nan 8.250 nan 0.000 0.480 164 L N 0.967 122.341 121.223 0.252 0.000 2.370 164 L HA 0.628 4.968 4.340 0.000 0.000 0.266 164 L C -0.929 176.187 176.870 0.410 0.000 1.002 164 L CA -0.857 54.107 54.840 0.206 0.000 0.818 164 L CB 2.141 44.168 42.059 -0.053 0.000 1.325 164 L HN 0.711 nan 8.230 nan 0.000 0.418 165 A N 2.392 125.440 122.820 0.380 0.000 2.381 165 A HA 0.778 5.098 4.320 0.000 0.000 0.299 165 A C -1.639 176.030 177.584 0.142 0.000 1.049 165 A CA -0.382 51.786 52.037 0.218 0.000 0.715 165 A CB 1.136 20.183 19.000 0.077 0.000 1.222 165 A HN 0.645 nan 8.150 nan 0.000 0.428 166 Y N -0.405 119.874 120.300 -0.035 0.000 2.615 166 Y HA 0.793 5.343 4.550 0.000 0.000 0.341 166 Y C -1.237 174.678 175.900 0.025 0.000 1.089 166 Y CA -1.638 56.421 58.100 -0.067 0.000 1.049 166 Y CB 1.218 39.560 38.460 -0.197 0.000 1.296 166 Y HN 0.386 nan 8.280 nan 0.000 0.470 167 V N 2.023 122.051 119.914 0.190 0.000 2.409 167 V HA 0.305 4.425 4.120 0.000 0.000 0.291 167 V C -1.499 174.783 176.094 0.314 0.000 1.020 167 V CA -0.565 61.819 62.300 0.141 0.000 0.848 167 V CB 1.180 33.023 31.823 0.033 0.000 0.990 167 V HN 0.846 nan 8.190 nan 0.000 0.430 168 W N 5.352 126.707 121.300 0.092 0.000 2.830 168 W HA 0.482 5.142 4.660 0.000 0.000 0.335 168 W C 0.385 176.934 176.519 0.050 0.000 1.043 168 W CA -0.848 56.524 57.345 0.045 0.000 1.239 168 W CB 1.153 30.562 29.460 -0.084 0.000 1.378 168 W HN 0.809 nan 8.180 nan 0.000 0.456 169 N N 5.295 123.664 118.700 -0.552 0.000 2.747 169 N HA -0.328 4.412 4.740 0.000 0.000 0.249 169 N C -0.013 175.341 175.510 -0.260 0.000 1.107 169 N CA 0.921 53.634 53.050 -0.561 0.000 0.707 169 N CB -1.281 36.660 38.487 -0.909 0.000 1.054 169 N HN 0.837 nan 8.380 nan 0.000 0.555 170 N N -1.731 116.887 118.700 -0.137 0.000 2.782 170 N HA -0.163 4.577 4.740 0.000 0.000 0.251 170 N C -1.463 173.982 175.510 -0.107 0.000 1.101 170 N CA 0.841 53.835 53.050 -0.092 0.000 0.764 170 N CB -0.395 37.996 38.487 -0.160 0.000 1.122 170 N HN 0.393 nan 8.380 nan 0.000 0.561 171 D N 0.634 120.988 120.400 -0.076 0.000 2.646 171 D HA 0.465 5.105 4.640 0.000 0.000 0.245 171 D C 0.065 176.256 176.300 -0.183 0.000 1.099 171 D CA -0.392 53.497 54.000 -0.184 0.000 0.849 171 D CB 1.550 42.222 40.800 -0.213 0.000 1.448 171 D HN 0.050 nan 8.370 nan 0.000 0.489 172 I N 2.192 122.478 120.570 -0.474 0.000 2.428 172 I HA 0.196 4.366 4.170 0.000 0.000 0.289 172 I C -0.527 175.164 176.117 -0.710 0.000 1.019 172 I CA -0.278 60.718 61.300 -0.507 0.000 1.351 172 I CB 0.441 38.041 38.000 -0.667 0.000 1.412 172 I HN 0.174 nan 8.210 nan 0.000 0.513 173 Y N 4.085 123.950 120.300 -0.725 0.000 2.536 173 Y HA 0.643 5.193 4.550 0.000 0.000 0.347 173 Y C -0.305 175.273 175.900 -0.537 0.000 1.000 173 Y CA -0.946 56.711 58.100 -0.739 0.000 1.051 173 Y CB 2.068 39.810 38.460 -1.197 0.000 1.259 173 Y HN 0.106 nan 8.280 nan 0.000 0.468 174 V N 2.897 122.776 119.914 -0.057 0.000 2.638 174 V HA 0.440 4.560 4.120 0.000 0.000 0.306 174 V C -0.790 175.478 176.094 0.289 0.000 1.052 174 V CA -1.332 61.039 62.300 0.119 0.000 0.885 174 V CB 1.873 33.751 31.823 0.093 0.000 0.999 174 V HN 0.515 nan 8.190 nan 0.000 0.424 175 K N 4.468 125.044 120.400 0.294 0.000 2.316 175 K HA 0.493 4.813 4.320 0.000 0.000 0.267 175 K C 0.449 177.193 176.600 0.241 0.000 1.025 175 K CA -0.570 55.871 56.287 0.257 0.000 0.896 175 K CB 1.792 34.399 32.500 0.177 0.000 1.124 175 K HN 0.426 nan 8.250 nan 0.000 0.451 176 I N 0.600 121.322 120.570 0.254 0.000 2.406 176 I HA -0.048 4.122 4.170 0.000 0.000 0.249 176 I C 0.439 176.651 176.117 0.159 0.000 1.122 176 I CA 1.214 62.621 61.300 0.179 0.000 1.431 176 I CB 0.015 38.124 38.000 0.181 0.000 1.087 176 I HN 0.391 nan 8.210 nan 0.000 0.424 177 E N 0.217 120.517 120.200 0.167 0.000 2.224 177 E HA 0.262 4.612 4.350 0.000 0.000 0.265 177 E C -1.861 174.762 176.600 0.038 0.000 0.878 177 E CA -1.898 54.596 56.400 0.156 0.000 0.759 177 E CB 2.231 32.014 29.700 0.139 0.000 1.164 177 E HN -0.136 nan 8.360 nan 0.000 0.414 178 P HA -0.208 nan 4.420 nan 0.000 0.219 178 P C 0.896 178.108 177.300 -0.146 0.000 1.144 178 P CA 1.371 64.328 63.100 -0.238 0.000 0.806 178 P CB 0.353 31.609 31.700 -0.739 0.000 0.771 179 N N -1.410 117.234 118.700 -0.093 0.000 2.322 179 N HA 0.000 4.740 4.740 0.000 0.000 0.181 179 N C 0.416 175.914 175.510 -0.021 0.000 1.088 179 N CA 0.160 53.185 53.050 -0.043 0.000 0.885 179 N CB -0.304 38.175 38.487 -0.013 0.000 1.013 179 N HN 0.137 nan 8.380 nan 0.000 0.472 180 L N 2.160 123.382 121.223 -0.001 0.000 2.453 180 L HA 0.370 4.710 4.340 0.000 0.000 0.261 180 L C -1.913 174.943 176.870 -0.024 0.000 1.179 180 L CA -1.848 52.993 54.840 0.001 0.000 0.813 180 L CB 0.398 42.480 42.059 0.038 0.000 1.110 180 L HN -0.031 nan 8.230 nan 0.000 0.466 181 P HA 0.020 nan 4.420 nan 0.000 0.267 181 P C -0.696 176.522 177.300 -0.136 0.000 1.200 181 P CA -0.262 62.778 63.100 -0.101 0.000 0.772 181 P CB 0.745 32.367 31.700 -0.129 0.000 0.855 182 S N 1.750 117.416 115.700 -0.056 0.000 2.669 182 S HA 0.446 4.916 4.470 0.000 0.000 0.270 182 S C -0.618 173.929 174.600 -0.089 0.000 1.225 182 S CA -0.464 57.757 58.200 0.036 0.000 0.991 182 S CB 0.196 63.543 63.200 0.244 0.000 0.987 182 S HN 0.325 nan 8.310 nan 0.000 0.552 183 Y N 0.008 120.343 120.300 0.057 0.000 2.331 183 Y HA 0.466 5.017 4.550 0.000 0.000 0.338 183 Y C 0.930 176.711 175.900 -0.198 0.000 0.992 183 Y CA -0.822 57.273 58.100 -0.009 0.000 1.121 183 Y CB 0.999 39.461 38.460 0.003 0.000 1.184 183 Y HN 0.562 nan 8.280 nan 0.000 0.469 184 R N 3.341 123.721 120.500 -0.200 0.000 2.438 184 R HA 0.202 4.542 4.340 0.000 0.000 0.287 184 R C 0.143 175.978 176.300 -0.775 0.000 1.077 184 R CA 0.103 55.667 56.100 -0.893 0.000 1.034 184 R CB 0.506 30.123 30.300 -1.138 0.000 0.993 184 R HN 0.766 nan 8.270 nan 0.000 0.459 185 I N 1.449 121.479 120.570 -0.901 0.000 3.616 185 I HA -0.002 4.168 4.170 0.000 0.000 0.296 185 I C 0.957 176.777 176.117 -0.495 0.000 1.226 185 I CA 0.852 61.836 61.300 -0.526 0.000 1.394 185 I CB -0.161 37.528 38.000 -0.519 0.000 1.171 185 I HN 0.570 nan 8.210 nan 0.000 0.442 186 T N -3.760 110.304 114.554 -0.818 0.000 2.900 186 T HA 0.389 4.739 4.350 0.000 0.000 0.295 186 T C -0.144 174.216 174.700 -0.567 0.000 1.044 186 T CA -0.542 61.291 62.100 -0.445 0.000 0.995 186 T CB 2.004 70.619 68.868 -0.421 0.000 1.072 186 T HN 0.204 nan 8.240 nan 0.000 0.473 187 W N 0.923 122.110 121.300 -0.189 0.000 2.870 187 W HA 0.093 4.753 4.660 0.000 0.000 0.358 187 W C 1.760 178.221 176.519 -0.098 0.000 1.043 187 W CA 0.126 57.394 57.345 -0.127 0.000 1.692 187 W CB 0.526 29.930 29.460 -0.095 0.000 1.100 187 W HN 0.946 nan 8.180 nan 0.000 0.557 188 T N -2.056 112.543 114.554 0.075 0.000 3.088 188 T HA 0.121 4.471 4.350 0.000 0.000 0.259 188 T C 1.279 175.967 174.700 -0.020 0.000 1.122 188 T CA 0.394 62.513 62.100 0.032 0.000 1.095 188 T CB -0.170 68.711 68.868 0.023 0.000 0.930 188 T HN -0.044 nan 8.240 nan 0.000 0.508 189 G N 1.268 110.026 108.800 -0.071 0.000 2.224 189 G HA2 0.310 4.270 3.960 0.000 0.000 0.239 189 G HA3 0.310 4.270 3.960 0.000 0.000 0.239 189 G C -0.592 174.240 174.900 -0.114 0.000 1.240 189 G CA -0.330 44.705 45.100 -0.108 0.000 0.896 189 G HN 0.599 nan 8.290 nan 0.000 0.496 190 K N 1.955 122.264 120.400 -0.151 0.000 2.565 190 K HA 0.155 4.475 4.320 0.000 0.000 0.251 190 K C -0.223 176.240 176.600 -0.229 0.000 0.956 190 K CA -0.679 55.517 56.287 -0.150 0.000 0.809 190 K CB 1.707 34.153 32.500 -0.090 0.000 1.267 190 K HN 0.628 nan 8.250 nan 0.000 0.438 191 E N 2.933 123.014 120.200 -0.199 0.000 2.608 191 E HA -0.146 4.204 4.350 0.000 0.000 0.259 191 E C -0.539 175.954 176.600 -0.178 0.000 0.951 191 E CA 0.986 57.267 56.400 -0.198 0.000 0.945 191 E CB 0.281 29.903 29.700 -0.130 0.000 0.916 191 E HN 0.629 nan 8.360 nan 0.000 0.477 192 D N 2.572 122.847 120.400 -0.209 0.000 3.067 192 D HA -0.244 4.396 4.640 0.000 0.000 0.216 192 D C 0.551 176.835 176.300 -0.027 0.000 1.162 192 D CA 1.198 55.181 54.000 -0.028 0.000 0.960 192 D CB -0.359 40.482 40.800 0.067 0.000 1.129 192 D HN 0.420 nan 8.370 nan 0.000 0.408 193 I N -1.233 119.218 120.570 -0.198 0.000 3.746 193 I HA 0.098 4.268 4.170 0.000 0.000 0.262 193 I C 0.649 176.755 176.117 -0.018 0.000 1.153 193 I CA 0.407 61.685 61.300 -0.035 0.000 1.395 193 I CB 0.268 38.255 38.000 -0.022 0.000 1.589 193 I HN -0.141 nan 8.210 nan 0.000 0.441 194 I N 1.632 122.103 120.570 -0.166 0.000 2.436 194 I HA 0.295 4.465 4.170 0.000 0.000 0.289 194 I C -1.205 174.843 176.117 -0.115 0.000 1.010 194 I CA -0.755 60.534 61.300 -0.019 0.000 1.098 194 I CB 1.109 39.114 38.000 0.009 0.000 1.266 194 I HN -0.001 nan 8.210 nan 0.000 0.434 195 Y N 4.835 125.227 120.300 0.154 0.000 2.328 195 Y HA 0.463 5.013 4.550 0.000 0.000 0.336 195 Y C 0.356 176.315 175.900 0.100 0.000 0.960 195 Y CA -0.768 57.427 58.100 0.158 0.000 1.134 195 Y CB 1.301 39.938 38.460 0.294 0.000 1.166 195 Y HN 0.401 nan 8.280 nan 0.000 0.464 196 N N 1.730 120.505 118.700 0.124 0.000 2.354 196 N HA 0.377 5.117 4.740 0.000 0.000 0.287 196 N C 0.729 176.175 175.510 -0.106 0.000 1.016 196 N CA 0.322 53.365 53.050 -0.012 0.000 0.871 196 N CB 2.037 40.422 38.487 -0.170 0.000 1.299 196 N HN 0.948 nan 8.380 nan 0.000 0.482 197 G N 1.466 110.198 108.800 -0.114 0.000 2.245 197 G HA2 -0.264 3.696 3.960 0.000 0.000 0.264 197 G HA3 -0.264 3.696 3.960 0.000 0.000 0.264 197 G C 0.111 174.804 174.900 -0.344 0.000 0.985 197 G CA 0.800 45.745 45.100 -0.258 0.000 0.625 197 G HN 0.666 nan 8.290 nan 0.000 0.536 198 I N -1.041 119.415 120.570 -0.190 0.000 2.647 198 I HA 0.749 4.919 4.170 0.000 0.000 0.295 198 I C 0.400 176.524 176.117 0.011 0.000 1.078 198 I CA -0.592 60.494 61.300 -0.355 0.000 1.048 198 I CB 2.000 39.717 38.000 -0.472 0.000 1.239 198 I HN 0.173 nan 8.210 nan 0.000 0.421 199 T N 0.245 114.728 114.554 -0.119 0.000 2.828 199 T HA 0.314 4.664 4.350 0.000 0.000 0.290 199 T C -0.066 174.422 174.700 -0.353 0.000 1.019 199 T CA -0.542 61.402 62.100 -0.260 0.000 1.031 199 T CB 1.145 69.970 68.868 -0.072 0.000 1.001 199 T HN 0.776 nan 8.240 nan 0.000 0.531 200 D N -0.255 119.735 120.400 -0.683 0.000 2.511 200 D HA 0.066 4.706 4.640 0.000 0.000 0.276 200 D C 0.987 177.216 176.300 -0.119 0.000 1.220 200 D CA -1.112 52.499 54.000 -0.648 0.000 1.077 200 D CB -0.034 40.333 40.800 -0.722 0.000 1.126 200 D HN 0.695 nan 8.370 nan 0.000 0.583 201 W N -0.044 121.189 121.300 -0.112 0.000 2.333 201 W HA -0.211 4.449 4.660 0.000 0.000 0.316 201 W C 2.202 178.601 176.519 -0.201 0.000 1.215 201 W CA 2.441 59.708 57.345 -0.130 0.000 1.278 201 W CB -0.506 28.822 29.460 -0.219 0.000 1.154 201 W HN 0.163 nan 8.180 nan 0.000 0.486 202 V N 0.107 120.114 119.914 0.155 0.000 2.295 202 V HA -0.333 3.787 4.120 0.000 0.000 0.246 202 V C 1.998 177.912 176.094 -0.301 0.000 1.049 202 V CA 2.236 64.497 62.300 -0.065 0.000 1.024 202 V CB -0.890 30.884 31.823 -0.081 0.000 0.648 202 V HN 0.323 nan 8.190 nan 0.000 0.447 203 Y N 0.518 120.628 120.300 -0.316 0.000 2.333 203 Y HA -0.193 4.357 4.550 0.000 0.000 0.290 203 Y C 2.593 178.378 175.900 -0.192 0.000 1.144 203 Y CA 2.112 60.017 58.100 -0.325 0.000 1.228 203 Y CB -0.013 38.142 38.460 -0.509 0.000 0.985 203 Y HN 0.430 nan 8.280 nan 0.000 0.542 204 E N 0.084 120.234 120.200 -0.083 0.000 2.051 204 E HA -0.232 4.118 4.350 0.000 0.000 0.189 204 E C 1.966 178.502 176.600 -0.107 0.000 0.979 204 E CA 1.269 57.651 56.400 -0.031 0.000 0.803 204 E CB 0.075 29.774 29.700 -0.002 0.000 0.761 204 E HN 0.384 nan 8.360 nan 0.000 0.451 205 E N 0.270 120.234 120.200 -0.393 0.000 2.086 205 E HA -0.129 4.221 4.350 0.000 0.000 0.190 205 E C 1.758 178.232 176.600 -0.211 0.000 0.975 205 E CA 1.332 57.503 56.400 -0.382 0.000 0.813 205 E CB 0.179 29.337 29.700 -0.904 0.000 0.768 205 E HN 0.180 nan 8.360 nan 0.000 0.457 206 E N -0.499 119.545 120.200 -0.261 0.000 2.201 206 E HA 0.060 4.410 4.350 0.000 0.000 0.193 206 E C 2.089 178.552 176.600 -0.229 0.000 0.957 206 E CA 0.617 56.917 56.400 -0.168 0.000 0.858 206 E CB 0.203 29.804 29.700 -0.164 0.000 0.816 206 E HN 0.177 nan 8.360 nan 0.000 0.475 207 V N 0.489 120.183 119.914 -0.367 0.000 2.339 207 V HA -0.064 4.056 4.120 0.000 0.000 0.234 207 V C 1.779 177.678 176.094 -0.325 0.000 1.053 207 V CA 1.203 63.208 62.300 -0.491 0.000 1.042 207 V CB -0.517 30.788 31.823 -0.864 0.000 0.678 207 V HN 0.044 nan 8.190 nan 0.000 0.475 208 F N 0.533 120.488 119.950 0.007 0.000 2.811 208 F HA 0.264 4.791 4.527 0.000 0.000 0.301 208 F C 1.821 177.602 175.800 -0.032 0.000 1.151 208 F CA 0.418 58.447 58.000 0.048 0.000 1.412 208 F CB -0.643 38.432 39.000 0.126 0.000 1.113 208 F HN 0.165 nan 8.300 nan 0.000 0.579 209 S N 0.273 116.012 115.700 0.065 0.000 3.405 209 S HA -0.101 4.369 4.470 0.000 0.000 0.378 209 S C 0.035 174.453 174.600 -0.303 0.000 1.012 209 S CA 0.377 58.573 58.200 -0.006 0.000 1.144 209 S CB -1.248 61.974 63.200 0.037 0.000 0.903 209 S HN 0.685 nan 8.310 nan 0.000 0.470 210 A N -0.418 122.274 122.820 -0.214 0.000 2.601 210 A HA 0.650 4.970 4.320 0.000 0.000 0.291 210 A C -0.380 177.160 177.584 -0.074 0.000 1.075 210 A CA -0.087 51.744 52.037 -0.344 0.000 0.671 210 A CB 0.076 18.953 19.000 -0.205 0.000 1.277 210 A HN 0.570 nan 8.150 nan 0.000 0.417 211 Y N 1.253 121.371 120.300 -0.304 0.000 2.343 211 Y HA 0.249 4.799 4.550 0.000 0.000 0.294 211 Y C 1.593 177.125 175.900 -0.614 0.000 1.122 211 Y CA 1.175 59.080 58.100 -0.325 0.000 1.173 211 Y CB -0.106 38.218 38.460 -0.226 0.000 1.077 211 Y HN 0.689 nan 8.280 nan 0.000 0.542 212 S N 0.858 115.867 115.700 -1.152 0.000 2.544 212 S HA 0.309 4.779 4.470 0.000 0.000 0.290 212 S C 0.463 174.425 174.600 -1.063 0.000 1.276 212 S CA 0.269 57.559 58.200 -1.516 0.000 1.075 212 S CB 0.184 62.380 63.200 -1.673 0.000 0.849 212 S HN 0.475 nan 8.310 nan 0.000 0.494 213 A N 4.877 127.108 122.820 -0.982 0.000 2.793 213 A HA 0.518 4.838 4.320 0.000 0.000 0.301 213 A C -0.542 176.327 177.584 -1.192 0.000 1.172 213 A CA -0.616 50.871 52.037 -0.916 0.000 0.973 213 A CB -0.435 18.430 19.000 -0.224 0.000 1.164 213 A HN 0.853 nan 8.150 nan 0.000 0.542 214 L N -5.157 115.170 121.223 -1.493 0.000 2.422 214 L HA 0.837 5.177 4.340 0.000 0.000 0.264 214 L C -1.326 174.938 176.870 -1.011 0.000 0.984 214 L CA -1.101 53.158 54.840 -0.968 0.000 0.819 214 L CB 1.085 42.840 42.059 -0.505 0.000 1.330 214 L HN 0.204 nan 8.230 nan 0.000 0.410 215 W N 1.863 123.179 121.300 0.028 0.000 2.543 215 W HA 0.327 4.987 4.660 0.000 0.000 0.318 215 W C -1.392 175.315 176.519 0.313 0.000 1.002 215 W CA -0.782 56.698 57.345 0.225 0.000 1.302 215 W CB 1.470 31.131 29.460 0.335 0.000 1.299 215 W HN 0.623 nan 8.180 nan 0.000 0.424 216 W N 2.567 124.025 121.300 0.263 0.000 2.190 216 W HA 0.182 4.842 4.660 0.000 0.000 0.330 216 W C 1.297 177.637 176.519 -0.298 0.000 1.299 216 W CA 0.337 57.717 57.345 0.058 0.000 1.215 216 W CB 0.835 30.315 29.460 0.032 0.000 1.147 216 W HN 0.188 nan 8.180 nan 0.000 0.563 217 S N 3.955 119.402 115.700 -0.421 0.000 2.579 217 S HA 0.086 4.556 4.470 0.000 0.000 0.275 217 S C -1.244 173.061 174.600 -0.493 0.000 1.345 217 S CA -1.053 56.302 58.200 -1.409 0.000 1.031 217 S CB 0.980 63.422 63.200 -1.263 0.000 0.892 217 S HN 0.422 nan 8.310 nan 0.000 0.529 218 P HA -0.271 nan 4.420 nan 0.000 0.218 218 P C 1.231 178.485 177.300 -0.077 0.000 1.154 218 P CA 1.692 64.742 63.100 -0.084 0.000 0.872 218 P CB -0.117 31.592 31.700 0.015 0.000 0.790 219 N N -0.252 118.386 118.700 -0.103 0.000 2.207 219 N HA -0.093 4.647 4.740 0.000 0.000 0.182 219 N C 1.547 176.979 175.510 -0.130 0.000 1.020 219 N CA 2.179 55.176 53.050 -0.089 0.000 0.858 219 N CB -0.168 38.277 38.487 -0.071 0.000 0.991 219 N HN 0.251 nan 8.380 nan 0.000 0.427 220 G N -1.167 107.559 108.800 -0.125 0.000 2.205 220 G HA2 -0.184 3.776 3.960 0.000 0.000 0.180 220 G HA3 -0.184 3.776 3.960 0.000 0.000 0.180 220 G C 0.923 175.829 174.900 0.010 0.000 1.004 220 G CA 0.600 45.622 45.100 -0.131 0.000 0.670 220 G HN 0.402 nan 8.290 nan 0.000 0.496 221 T N 0.707 115.203 114.554 -0.095 0.000 2.698 221 T HA 0.256 4.606 4.350 0.000 0.000 0.260 221 T C 0.903 175.478 174.700 -0.208 0.000 1.044 221 T CA 1.164 63.116 62.100 -0.248 0.000 1.149 221 T CB -0.119 68.424 68.868 -0.543 0.000 0.864 221 T HN 0.223 nan 8.240 nan 0.000 0.419 222 F N 0.556 120.555 119.950 0.081 0.000 2.378 222 F HA 0.569 5.096 4.527 0.000 0.000 0.325 222 F C 0.144 176.029 175.800 0.143 0.000 1.097 222 F CA -1.353 56.743 58.000 0.159 0.000 1.079 222 F CB 0.762 39.981 39.000 0.365 0.000 1.240 222 F HN -0.054 nan 8.300 nan 0.000 0.519 223 L N 2.485 123.884 121.223 0.293 0.000 2.406 223 L HA 0.683 5.023 4.340 0.000 0.000 0.270 223 L C -1.143 175.809 176.870 0.138 0.000 0.982 223 L CA -0.468 54.360 54.840 -0.021 0.000 0.843 223 L CB 0.920 42.706 42.059 -0.455 0.000 1.225 223 L HN 0.757 nan 8.230 nan 0.000 0.412 224 A N 5.285 128.247 122.820 0.237 0.000 2.306 224 A HA 0.754 5.074 4.320 0.000 0.000 0.314 224 A C -1.373 176.248 177.584 0.062 0.000 1.164 224 A CA -0.319 51.723 52.037 0.008 0.000 0.822 224 A CB 0.842 19.933 19.000 0.151 0.000 1.130 224 A HN 0.731 nan 8.150 nan 0.000 0.496 225 Y N -1.257 118.804 120.300 -0.399 0.000 2.581 225 Y HA 0.754 5.304 4.550 0.000 0.000 0.337 225 Y C -0.329 175.428 175.900 -0.239 0.000 1.108 225 Y CA -0.985 56.996 58.100 -0.199 0.000 1.033 225 Y CB 0.867 39.178 38.460 -0.248 0.000 1.318 225 Y HN 0.897 nan 8.280 nan 0.000 0.459 226 A N 2.540 125.404 122.820 0.073 0.000 2.306 226 A HA 0.690 5.010 4.320 0.000 0.000 0.330 226 A C -1.067 176.342 177.584 -0.293 0.000 1.146 226 A CA -0.834 51.117 52.037 -0.143 0.000 0.827 226 A CB 1.680 20.588 19.000 -0.153 0.000 1.178 226 A HN 0.827 nan 8.150 nan 0.000 0.490 227 Q N 0.732 120.293 119.800 -0.398 0.000 2.340 227 Q HA 0.621 4.961 4.340 0.000 0.000 0.268 227 Q C -2.116 173.618 176.000 -0.443 0.000 1.031 227 Q CA -0.403 55.265 55.803 -0.225 0.000 0.804 227 Q CB 1.212 30.036 28.738 0.143 0.000 1.286 227 Q HN 0.597 nan 8.270 nan 0.000 0.448 228 F N 2.341 122.401 119.950 0.183 0.000 2.467 228 F HA 0.381 4.908 4.527 0.000 0.000 0.336 228 F C 0.287 176.257 175.800 0.282 0.000 1.123 228 F CA -0.961 57.138 58.000 0.166 0.000 0.964 228 F CB 1.444 40.469 39.000 0.042 0.000 1.136 228 F HN 0.409 nan 8.300 nan 0.000 0.447 229 N N 2.322 121.252 118.700 0.383 0.000 2.469 229 N HA 0.198 4.938 4.740 0.000 0.000 0.253 229 N C -0.841 174.849 175.510 0.300 0.000 0.970 229 N CA -0.206 53.021 53.050 0.295 0.000 0.940 229 N CB 0.955 39.562 38.487 0.199 0.000 1.128 229 N HN 0.590 nan 8.380 nan 0.000 0.503 230 D N 1.535 122.132 120.400 0.328 0.000 2.463 230 D HA 0.139 4.779 4.640 0.000 0.000 0.224 230 D C 1.180 177.598 176.300 0.197 0.000 1.174 230 D CA 0.031 54.206 54.000 0.292 0.000 0.829 230 D CB 0.615 41.665 40.800 0.418 0.000 0.993 230 D HN 0.434 nan 8.370 nan 0.000 0.497 231 T N 0.103 114.750 114.554 0.154 0.000 2.624 231 T HA -0.219 4.131 4.350 0.000 0.000 0.268 231 T C 1.624 176.380 174.700 0.093 0.000 1.041 231 T CA 1.351 63.514 62.100 0.105 0.000 1.159 231 T CB -0.037 68.883 68.868 0.087 0.000 0.863 231 T HN 0.084 nan 8.240 nan 0.000 0.434 232 E N 0.313 120.571 120.200 0.097 0.000 2.489 232 E HA 0.121 4.471 4.350 0.000 0.000 0.193 232 E C -0.247 176.406 176.600 0.087 0.000 1.057 232 E CA -0.134 56.315 56.400 0.081 0.000 0.866 232 E CB 0.165 29.909 29.700 0.072 0.000 0.916 232 E HN 0.202 nan 8.360 nan 0.000 0.500 233 V N 2.970 122.951 119.914 0.112 0.000 2.488 233 V HA 0.178 4.298 4.120 0.000 0.000 0.277 233 V C -2.027 174.127 176.094 0.100 0.000 1.046 233 V CA -1.641 60.727 62.300 0.114 0.000 0.986 233 V CB 0.829 32.740 31.823 0.148 0.000 0.989 233 V HN 0.110 nan 8.190 nan 0.000 0.475 234 P HA 0.189 nan 4.420 nan 0.000 0.269 234 P C -0.698 176.641 177.300 0.066 0.000 1.215 234 P CA -0.113 63.025 63.100 0.063 0.000 0.780 234 P CB 0.459 32.193 31.700 0.056 0.000 0.898 235 L N 2.931 124.173 121.223 0.031 0.000 2.282 235 L HA 0.386 4.726 4.340 0.000 0.000 0.288 235 L C 0.361 177.194 176.870 -0.062 0.000 1.033 235 L CA -1.022 53.825 54.840 0.012 0.000 0.807 235 L CB 0.996 43.060 42.059 0.008 0.000 1.209 235 L HN 0.317 nan 8.230 nan 0.000 0.423 236 I N 3.414 123.911 120.570 -0.122 0.000 2.441 236 I HA 0.179 4.349 4.170 0.000 0.000 0.287 236 I C -0.220 175.785 176.117 -0.188 0.000 1.049 236 I CA 0.332 61.455 61.300 -0.294 0.000 1.381 236 I CB 0.563 38.151 38.000 -0.686 0.000 1.409 236 I HN 0.570 nan 8.210 nan 0.000 0.523 237 E N 7.430 127.530 120.200 -0.166 0.000 2.248 237 E HA 0.527 4.877 4.350 0.000 0.000 0.267 237 E C -1.764 174.802 176.600 -0.057 0.000 0.877 237 E CA -0.621 55.686 56.400 -0.155 0.000 0.759 237 E CB 2.074 31.696 29.700 -0.130 0.000 1.182 237 E HN 0.581 nan 8.360 nan 0.000 0.418 238 Y N -1.785 118.451 120.300 -0.106 0.000 2.609 238 Y HA 0.551 5.101 4.550 0.000 0.000 0.336 238 Y C -0.725 175.132 175.900 -0.071 0.000 1.129 238 Y CA -1.247 56.802 58.100 -0.085 0.000 1.040 238 Y CB 0.816 39.238 38.460 -0.064 0.000 1.310 238 Y HN 0.233 nan 8.280 nan 0.000 0.460 239 S N 1.819 117.520 115.700 0.002 0.000 2.601 239 S HA 0.521 4.991 4.470 0.000 0.000 0.271 239 S C -1.422 173.031 174.600 -0.245 0.000 1.305 239 S CA -0.361 57.704 58.200 -0.225 0.000 1.022 239 S CB 0.614 63.586 63.200 -0.380 0.000 0.940 239 S HN 0.556 nan 8.310 nan 0.000 0.525 240 F N 1.765 121.410 119.950 -0.508 0.000 2.579 240 F HA 0.402 4.929 4.527 0.000 0.000 0.325 240 F C -0.360 175.163 175.800 -0.462 0.000 1.162 240 F CA -0.869 56.926 58.000 -0.341 0.000 0.946 240 F CB 0.787 39.728 39.000 -0.098 0.000 1.211 240 F HN 0.639 nan 8.300 nan 0.000 0.447 241 Y N 2.687 122.827 120.300 -0.267 0.000 2.420 241 Y HA 0.101 4.651 4.550 0.000 0.000 0.292 241 Y C 1.758 177.644 175.900 -0.023 0.000 1.119 241 Y CA 1.052 59.082 58.100 -0.117 0.000 1.229 241 Y CB -0.678 37.690 38.460 -0.155 0.000 1.026 241 Y HN 0.723 nan 8.280 nan 0.000 0.554 242 S N -0.385 115.347 115.700 0.053 0.000 3.387 242 S HA -0.224 4.246 4.470 0.000 0.000 0.633 242 S C -0.464 174.214 174.600 0.130 0.000 2.641 242 S CA 0.433 58.770 58.200 0.229 0.000 2.931 242 S CB -1.232 62.132 63.200 0.274 0.000 0.327 242 S HN 0.471 nan 8.310 nan 0.000 1.716 243 D N 1.463 121.938 120.400 0.124 0.000 2.344 243 D HA 0.254 4.894 4.640 0.000 0.000 0.244 243 D C 1.458 177.796 176.300 0.064 0.000 1.134 243 D CA 0.115 54.163 54.000 0.081 0.000 0.930 243 D CB 0.295 41.139 40.800 0.073 0.000 1.175 243 D HN 0.618 nan 8.370 nan 0.000 0.437 244 E N 0.259 120.483 120.200 0.039 0.000 2.187 244 E HA -0.229 4.121 4.350 0.000 0.000 0.199 244 E C 1.902 178.518 176.600 0.027 0.000 1.004 244 E CA 1.520 57.935 56.400 0.024 0.000 0.813 244 E CB -0.103 29.602 29.700 0.009 0.000 0.736 244 E HN 0.436 nan 8.360 nan 0.000 0.468 245 S N 1.032 116.753 115.700 0.035 0.000 2.420 245 S HA -0.161 4.309 4.470 0.000 0.000 0.237 245 S C 1.155 175.781 174.600 0.044 0.000 1.023 245 S CA 0.482 58.703 58.200 0.035 0.000 0.991 245 S CB -0.341 62.882 63.200 0.039 0.000 0.792 245 S HN 0.193 nan 8.310 nan 0.000 0.488 246 L N 2.513 123.772 121.223 0.060 0.000 2.456 246 L HA 0.109 4.449 4.340 0.000 0.000 0.277 246 L C 1.699 178.603 176.870 0.057 0.000 1.124 246 L CA 0.084 54.970 54.840 0.077 0.000 0.880 246 L CB 0.814 42.935 42.059 0.103 0.000 1.192 246 L HN 0.482 nan 8.230 nan 0.000 0.463 247 Q N 4.165 123.999 119.800 0.056 0.000 2.119 247 Q HA -0.121 4.219 4.340 0.000 0.000 0.201 247 Q C -0.578 175.335 176.000 -0.144 0.000 0.972 247 Q CA 1.404 57.184 55.803 -0.038 0.000 0.847 247 Q CB 0.210 28.945 28.738 -0.004 0.000 0.903 247 Q HN 0.586 nan 8.270 nan 0.000 0.433 248 Y N 0.576 120.892 120.300 0.025 0.000 2.341 248 Y HA 0.385 4.936 4.550 0.000 0.000 0.338 248 Y C -2.035 173.874 175.900 0.016 0.000 0.965 248 Y CA -2.861 55.251 58.100 0.019 0.000 1.108 248 Y CB 1.465 39.927 38.460 0.004 0.000 1.180 248 Y HN 0.147 nan 8.280 nan 0.000 0.458 249 P HA -0.009 nan 4.420 nan 0.000 0.267 249 P C -0.708 176.600 177.300 0.014 0.000 1.201 249 P CA -0.293 62.824 63.100 0.027 0.000 0.775 249 P CB 0.726 32.399 31.700 -0.045 0.000 0.854 250 K N 0.700 121.083 120.400 -0.028 0.000 2.118 250 K HA 0.441 4.761 4.320 0.000 0.000 0.254 250 K C -0.827 175.719 176.600 -0.089 0.000 0.961 250 K CA -0.456 55.816 56.287 -0.024 0.000 0.876 250 K CB 0.832 33.340 32.500 0.014 0.000 1.077 250 K HN 0.299 nan 8.250 nan 0.000 0.440 251 T N 2.396 116.885 114.554 -0.108 0.000 2.788 251 T HA 0.243 4.593 4.350 0.000 0.000 0.296 251 T C -0.760 173.805 174.700 -0.226 0.000 1.009 251 T CA -0.596 61.404 62.100 -0.168 0.000 0.949 251 T CB 1.016 69.806 68.868 -0.130 0.000 0.946 251 T HN 0.272 nan 8.240 nan 0.000 0.453 252 V N 6.444 126.119 119.914 -0.399 0.000 2.461 252 V HA 0.445 4.565 4.120 0.000 0.000 0.275 252 V C 0.437 176.258 176.094 -0.455 0.000 1.047 252 V CA -0.632 61.390 62.300 -0.463 0.000 0.955 252 V CB 0.307 31.693 31.823 -0.728 0.000 0.988 252 V HN 0.738 nan 8.190 nan 0.000 0.471 253 R N 4.316 124.698 120.500 -0.197 0.000 2.476 253 R HA 0.767 5.107 4.340 0.000 0.000 0.305 253 R C -1.782 174.532 176.300 0.023 0.000 0.965 253 R CA -0.578 55.456 56.100 -0.110 0.000 0.867 253 R CB 1.454 31.707 30.300 -0.078 0.000 1.176 253 R HN 0.352 nan 8.270 nan 0.000 0.447 254 V N 3.344 123.290 119.914 0.054 0.000 2.656 254 V HA 0.390 4.510 4.120 0.000 0.000 0.307 254 V C -2.363 173.813 176.094 0.137 0.000 1.051 254 V CA -2.508 59.893 62.300 0.168 0.000 0.893 254 V CB 2.408 34.354 31.823 0.205 0.000 0.999 254 V HN 0.622 nan 8.190 nan 0.000 0.426 255 P HA 0.164 nan 4.420 nan 0.000 0.269 255 P C -1.418 175.996 177.300 0.190 0.000 1.252 255 P CA 0.360 63.582 63.100 0.204 0.000 0.780 255 P CB -0.201 31.670 31.700 0.284 0.000 0.829 256 Y N 6.749 127.024 120.300 -0.041 0.000 2.317 256 Y HA 0.373 4.923 4.550 0.000 0.000 0.325 256 Y C -2.692 173.168 175.900 -0.067 0.000 1.066 256 Y CA -2.943 55.071 58.100 -0.143 0.000 1.203 256 Y CB 1.701 39.939 38.460 -0.370 0.000 1.127 256 Y HN 0.285 nan 8.280 nan 0.000 0.451 257 P HA 0.250 nan 4.420 nan 0.000 0.287 257 P C -0.919 176.432 177.300 0.085 0.000 1.307 257 P CA -0.176 62.964 63.100 0.067 0.000 0.777 257 P CB 1.606 33.330 31.700 0.040 0.000 0.883 258 K N 1.947 122.466 120.400 0.199 0.000 2.127 258 K HA 0.533 4.853 4.320 0.000 0.000 0.240 258 K C 0.450 177.154 176.600 0.172 0.000 1.024 258 K CA -0.826 55.603 56.287 0.236 0.000 0.918 258 K CB 0.544 33.201 32.500 0.261 0.000 1.108 258 K HN 0.444 nan 8.250 nan 0.000 0.485 259 A N 0.742 123.694 122.820 0.220 0.000 2.572 259 A HA 0.217 4.537 4.320 0.000 0.000 0.256 259 A C 1.181 178.809 177.584 0.073 0.000 1.041 259 A CA 1.113 53.268 52.037 0.197 0.000 0.790 259 A CB -1.520 17.673 19.000 0.323 0.000 0.947 259 A HN 0.900 nan 8.150 nan 0.000 0.518 260 G N 1.159 109.993 108.800 0.056 0.000 2.189 260 G HA2 0.050 4.010 3.960 0.000 0.000 0.267 260 G HA3 0.050 4.010 3.960 0.000 0.000 0.267 260 G C 0.777 175.691 174.900 0.023 0.000 0.975 260 G CA 1.006 46.111 45.100 0.008 0.000 0.644 260 G HN 2.182 nan 8.290 nan 0.000 0.537 261 A N -0.644 122.207 122.820 0.052 0.000 2.262 261 A HA 0.683 5.003 4.320 0.000 0.000 0.273 261 A C 0.889 178.505 177.584 0.053 0.000 1.202 261 A CA 0.449 52.520 52.037 0.055 0.000 0.811 261 A CB 0.365 19.413 19.000 0.080 0.000 1.159 261 A HN 1.124 nan 8.150 nan 0.000 0.505 262 V N 2.301 122.249 119.914 0.056 0.000 2.439 262 V HA 0.080 4.200 4.120 0.000 0.000 0.271 262 V C 0.167 176.305 176.094 0.074 0.000 1.040 262 V CA -0.313 62.021 62.300 0.057 0.000 1.002 262 V CB -0.093 31.764 31.823 0.057 0.000 1.000 262 V HN 0.728 nan 8.190 nan 0.000 0.477 263 N N 6.732 125.474 118.700 0.069 0.000 2.515 263 N HA 0.428 5.168 4.740 0.000 0.000 0.279 263 N C -2.220 173.368 175.510 0.129 0.000 1.164 263 N CA -1.412 51.698 53.050 0.100 0.000 0.982 263 N CB 1.270 39.805 38.487 0.080 0.000 1.170 263 N HN 0.395 nan 8.380 nan 0.000 0.474 264 P HA 0.065 nan 4.420 nan 0.000 0.272 264 P C -0.307 177.138 177.300 0.241 0.000 1.240 264 P CA -0.121 63.126 63.100 0.246 0.000 0.791 264 P CB 0.393 32.284 31.700 0.317 0.000 0.978 265 T N -2.352 112.338 114.554 0.226 0.000 2.952 265 T HA 0.613 4.963 4.350 0.000 0.000 0.286 265 T C -0.395 174.439 174.700 0.223 0.000 1.024 265 T CA -0.822 61.371 62.100 0.156 0.000 1.029 265 T CB 1.465 70.398 68.868 0.109 0.000 1.094 265 T HN 0.347 nan 8.240 nan 0.000 0.515 266 V N 0.273 120.281 119.914 0.157 0.000 3.007 266 V HA 0.776 4.896 4.120 0.000 0.000 0.311 266 V C -1.632 174.541 176.094 0.131 0.000 1.120 266 V CA -0.862 61.514 62.300 0.127 0.000 0.980 266 V CB 2.158 34.099 31.823 0.197 0.000 1.033 266 V HN 1.090 nan 8.190 nan 0.000 0.429 267 K N 4.115 124.534 120.400 0.032 0.000 2.477 267 K HA 0.564 4.884 4.320 0.000 0.000 0.255 267 K C -1.987 174.571 176.600 -0.071 0.000 0.952 267 K CA -0.493 55.799 56.287 0.008 0.000 0.826 267 K CB 2.871 35.387 32.500 0.026 0.000 1.331 267 K HN 0.543 nan 8.250 nan 0.000 0.437 268 F N 2.189 121.887 119.950 -0.420 0.000 2.507 268 F HA 0.573 5.100 4.527 0.000 0.000 0.325 268 F C -1.506 173.781 175.800 -0.854 0.000 1.116 268 F CA -0.697 57.023 58.000 -0.466 0.000 0.930 268 F CB 0.870 39.701 39.000 -0.282 0.000 1.146 268 F HN 0.382 nan 8.300 nan 0.000 0.447 269 F N 4.105 123.307 119.950 -1.247 0.000 2.588 269 F HA 0.745 5.272 4.527 0.000 0.000 0.314 269 F C -0.973 174.143 175.800 -1.141 0.000 1.069 269 F CA -1.189 56.174 58.000 -1.063 0.000 0.931 269 F CB 2.207 40.497 39.000 -1.183 0.000 1.260 269 F HN 0.099 nan 8.300 nan 0.000 0.465 270 V N 3.006 122.684 119.914 -0.393 0.000 2.488 270 V HA 0.460 4.580 4.120 0.000 0.000 0.293 270 V C -1.135 175.036 176.094 0.128 0.000 1.027 270 V CA -0.707 61.449 62.300 -0.240 0.000 0.862 270 V CB 1.864 33.335 31.823 -0.587 0.000 1.008 270 V HN 0.598 nan 8.190 nan 0.000 0.428 271 V N 5.161 125.216 119.914 0.233 0.000 2.667 271 V HA 0.540 4.660 4.120 0.000 0.000 0.308 271 V C 0.018 176.325 176.094 0.356 0.000 1.048 271 V CA -0.606 61.865 62.300 0.285 0.000 0.928 271 V CB 2.064 34.011 31.823 0.207 0.000 1.004 271 V HN 0.972 nan 8.190 nan 0.000 0.444 272 N N 2.851 121.740 118.700 0.316 0.000 2.420 272 N HA 0.156 4.896 4.740 0.000 0.000 0.249 272 N C 1.164 176.693 175.510 0.031 0.000 1.033 272 N CA 0.273 53.422 53.050 0.165 0.000 0.944 272 N CB 1.269 39.813 38.487 0.096 0.000 1.113 272 N HN 0.884 nan 8.380 nan 0.000 0.502 273 T N 0.278 114.843 114.554 0.018 0.000 2.995 273 T HA -0.080 4.270 4.350 0.000 0.000 0.269 273 T C 0.851 175.514 174.700 -0.063 0.000 1.091 273 T CA 0.825 62.928 62.100 0.005 0.000 1.128 273 T CB 0.023 68.993 68.868 0.170 0.000 0.891 273 T HN 0.420 nan 8.240 nan 0.000 0.492 274 D N 2.011 122.358 120.400 -0.088 0.000 2.312 274 D HA -0.027 4.613 4.640 0.000 0.000 0.211 274 D C 2.293 178.544 176.300 -0.081 0.000 0.964 274 D CA 1.270 55.214 54.000 -0.093 0.000 0.877 274 D CB -0.178 40.550 40.800 -0.119 0.000 0.924 274 D HN 0.691 nan 8.370 nan 0.000 0.515 275 S N -0.390 115.267 115.700 -0.073 0.000 2.558 275 S HA 0.060 4.530 4.470 0.000 0.000 0.217 275 S C 2.077 176.623 174.600 -0.090 0.000 0.975 275 S CA -0.144 58.028 58.200 -0.047 0.000 0.912 275 S CB -0.294 62.908 63.200 0.002 0.000 0.776 275 S HN 0.174 nan 8.310 nan 0.000 0.526 276 L N 2.408 123.511 121.223 -0.200 0.000 2.043 276 L HA -0.093 4.247 4.340 0.000 0.000 0.212 276 L C 2.455 179.121 176.870 -0.341 0.000 1.075 276 L CA 1.540 56.117 54.840 -0.438 0.000 0.752 276 L CB -0.782 40.741 42.059 -0.893 0.000 0.891 276 L HN 0.558 nan 8.230 nan 0.000 0.432 277 S N -2.529 113.062 115.700 -0.182 0.000 2.768 277 S HA 0.143 4.613 4.470 0.000 0.000 0.246 277 S C 0.946 175.569 174.600 0.039 0.000 1.006 277 S CA 0.135 58.347 58.200 0.019 0.000 1.075 277 S CB 0.336 63.566 63.200 0.050 0.000 0.786 277 S HN 0.280 nan 8.310 nan 0.000 0.468 278 S N -0.380 115.333 115.700 0.022 0.000 2.612 278 S HA 0.149 4.619 4.470 0.000 0.000 0.278 278 S C 1.217 175.842 174.600 0.042 0.000 1.082 278 S CA 0.264 58.484 58.200 0.033 0.000 1.185 278 S CB 0.655 63.866 63.200 0.019 0.000 1.077 278 S HN 0.588 nan 8.310 nan 0.000 0.585 279 V N -2.586 117.354 119.914 0.045 0.000 3.090 279 V HA 0.509 4.629 4.120 0.000 0.000 0.237 279 V C 1.143 177.280 176.094 0.073 0.000 1.209 279 V CA 0.991 63.322 62.300 0.052 0.000 1.209 279 V CB 0.272 32.121 31.823 0.042 0.000 0.971 279 V HN 0.339 nan 8.190 nan 0.000 0.477 280 T N -0.077 114.544 114.554 0.112 0.000 6.100 280 T HA -0.169 4.181 4.350 0.000 0.000 0.276 280 T C 0.028 174.832 174.700 0.173 0.000 2.187 280 T CA 0.963 63.158 62.100 0.159 0.000 3.734 280 T CB -1.481 67.448 68.868 0.100 0.000 0.721 280 T HN 0.746 nan 8.240 nan 0.000 0.607 281 N N 1.013 119.779 118.700 0.110 0.000 2.751 281 N HA 0.642 5.382 4.740 0.000 0.000 0.238 281 N C -0.485 175.072 175.510 0.078 0.000 1.351 281 N CA 0.606 53.721 53.050 0.108 0.000 0.751 281 N CB 1.029 39.513 38.487 -0.004 0.000 1.342 281 N HN 0.705 nan 8.380 nan 0.000 0.540 282 A N 1.289 124.159 122.820 0.084 0.000 2.531 282 A HA 0.383 4.703 4.320 0.000 0.000 0.236 282 A C 0.746 178.388 177.584 0.097 0.000 1.062 282 A CA 0.257 52.337 52.037 0.072 0.000 0.760 282 A CB -0.184 18.843 19.000 0.046 0.000 0.995 282 A HN 0.608 nan 8.150 nan 0.000 0.501 283 T N 0.552 115.169 114.554 0.105 0.000 2.806 283 T HA 0.509 4.859 4.350 0.000 0.000 0.290 283 T C 0.051 174.849 174.700 0.163 0.000 0.966 283 T CA -0.406 61.764 62.100 0.116 0.000 1.060 283 T CB 0.632 69.563 68.868 0.105 0.000 0.927 283 T HN 0.451 nan 8.240 nan 0.000 0.485 284 S N 4.563 120.362 115.700 0.165 0.000 2.448 284 S HA 0.332 4.802 4.470 0.000 0.000 0.279 284 S C 0.475 175.250 174.600 0.292 0.000 1.195 284 S CA -0.868 57.464 58.200 0.219 0.000 1.051 284 S CB -0.147 63.157 63.200 0.173 0.000 0.948 284 S HN 0.596 nan 8.310 nan 0.000 0.493 285 I N 3.357 124.091 120.570 0.273 0.000 2.529 285 I HA 0.199 4.369 4.170 0.000 0.000 0.284 285 I C 0.644 176.854 176.117 0.155 0.000 1.082 285 I CA -0.084 61.368 61.300 0.253 0.000 1.406 285 I CB 0.521 38.723 38.000 0.338 0.000 1.405 285 I HN 0.661 nan 8.210 nan 0.000 0.548 286 Q N 6.002 125.840 119.800 0.063 0.000 2.230 286 Q HA 0.566 4.906 4.340 0.000 0.000 0.253 286 Q C -1.282 174.625 176.000 -0.156 0.000 0.919 286 Q CA -0.544 55.081 55.803 -0.296 0.000 0.908 286 Q CB 1.584 30.085 28.738 -0.396 0.000 1.245 286 Q HN 0.577 nan 8.270 nan 0.000 0.437 287 I N 4.351 124.822 120.570 -0.164 0.000 2.390 287 I HA 0.227 4.397 4.170 0.000 0.000 0.283 287 I C 0.530 176.639 176.117 -0.013 0.000 1.016 287 I CA -0.532 60.762 61.300 -0.010 0.000 1.151 287 I CB 1.394 39.444 38.000 0.083 0.000 1.293 287 I HN 0.832 nan 8.210 nan 0.000 0.458 288 T N 3.146 117.647 114.554 -0.088 0.000 3.204 288 T HA 0.770 5.120 4.350 0.000 0.000 0.312 288 T C 0.936 175.422 174.700 -0.357 0.000 1.254 288 T CA 0.258 62.244 62.100 -0.189 0.000 0.913 288 T CB 0.631 69.395 68.868 -0.172 0.000 2.143 288 T HN 0.826 nan 8.240 nan 0.000 0.569 289 A N 0.999 123.563 122.820 -0.426 0.000 6.152 289 A HA -0.046 4.274 4.320 0.000 0.000 0.308 289 A C -2.412 174.596 177.584 -0.959 0.000 1.919 289 A CA 0.323 52.046 52.037 -0.524 0.000 0.811 289 A CB -2.723 16.088 19.000 -0.315 0.000 1.220 289 A HN 0.835 nan 8.150 nan 0.000 0.409 290 P HA 0.442 nan 4.420 nan 0.000 0.274 290 P C 0.981 178.068 177.300 -0.354 0.000 1.246 290 P CA 0.593 63.452 63.100 -0.402 0.000 0.795 290 P CB 0.547 32.087 31.700 -0.266 0.000 1.006 291 A N 1.268 123.952 122.820 -0.228 0.000 1.902 291 A HA -0.176 4.144 4.320 0.000 0.000 0.217 291 A C 1.974 179.447 177.584 -0.186 0.000 1.181 291 A CA 2.324 54.246 52.037 -0.192 0.000 0.623 291 A CB -1.884 17.038 19.000 -0.131 0.000 0.818 291 A HN 0.605 nan 8.150 nan 0.000 0.443 292 S N -2.058 113.558 115.700 -0.140 0.000 2.537 292 S HA -0.036 4.434 4.470 0.000 0.000 0.240 292 S C 1.484 176.010 174.600 -0.124 0.000 0.981 292 S CA 1.614 59.752 58.200 -0.103 0.000 0.948 292 S CB -0.142 63.070 63.200 0.020 0.000 0.759 292 S HN 0.380 nan 8.310 nan 0.000 0.531 293 M N 0.820 120.272 119.600 -0.246 0.000 2.858 293 M HA 0.491 4.971 4.480 0.000 0.000 0.255 293 M C 1.556 177.493 176.300 -0.605 0.000 1.336 293 M CA 0.804 55.873 55.300 -0.386 0.000 1.220 293 M CB -0.439 31.836 32.600 -0.542 0.000 1.252 293 M HN 0.205 nan 8.290 nan 0.000 0.538 294 L N -0.127 120.746 121.223 -0.584 0.000 2.353 294 L HA -0.159 4.181 4.340 0.000 0.000 0.220 294 L C 2.110 178.854 176.870 -0.211 0.000 1.133 294 L CA 0.456 55.037 54.840 -0.431 0.000 0.798 294 L CB -0.763 41.106 42.059 -0.317 0.000 0.922 294 L HN 0.297 nan 8.230 nan 0.000 0.445 295 I N -0.421 120.036 120.570 -0.188 0.000 2.454 295 I HA -0.056 4.114 4.170 0.000 0.000 0.254 295 I C 1.095 177.172 176.117 -0.068 0.000 1.156 295 I CA 0.842 62.073 61.300 -0.114 0.000 1.433 295 I CB -0.234 37.696 38.000 -0.116 0.000 1.082 295 I HN 0.139 nan 8.210 nan 0.000 0.432 296 G N -1.588 107.185 108.800 -0.046 0.000 2.682 296 G HA2 0.238 4.198 3.960 0.000 0.000 0.303 296 G HA3 0.238 4.198 3.960 0.000 0.000 0.303 296 G C -1.588 173.384 174.900 0.121 0.000 1.341 296 G CA -0.679 44.429 45.100 0.013 0.000 0.784 296 G HN -0.114 nan 8.290 nan 0.000 0.497 297 D N 1.465 121.897 120.400 0.053 0.000 2.487 297 D HA 0.369 5.009 4.640 0.000 0.000 0.243 297 D C 0.444 176.722 176.300 -0.036 0.000 1.154 297 D CA 0.818 54.807 54.000 -0.018 0.000 0.876 297 D CB 0.226 40.962 40.800 -0.106 0.000 1.161 297 D HN 0.500 nan 8.370 nan 0.000 0.478 298 H N 0.138 119.082 119.070 -0.210 0.000 2.943 298 H HA 0.512 5.068 4.556 0.000 0.000 0.323 298 H C -1.192 174.023 175.328 -0.189 0.000 1.296 298 H CA -0.790 55.145 56.048 -0.189 0.000 1.155 298 H CB 0.362 30.138 29.762 0.023 0.000 1.882 298 H HN 0.269 nan 8.280 nan 0.000 0.553 299 Y N -0.495 119.973 120.300 0.280 0.000 2.605 299 Y HA 0.454 5.004 4.550 0.000 0.000 0.343 299 Y C -0.604 175.504 175.900 0.346 0.000 1.036 299 Y CA -1.191 57.066 58.100 0.261 0.000 1.065 299 Y CB 1.912 40.393 38.460 0.035 0.000 1.288 299 Y HN 0.479 nan 8.280 nan 0.000 0.481 300 L N 2.191 123.694 121.223 0.466 0.000 2.276 300 L HA 0.442 4.782 4.340 0.000 0.000 0.286 300 L C 0.186 177.012 176.870 -0.073 0.000 1.024 300 L CA -0.378 54.447 54.840 -0.024 0.000 0.826 300 L CB 0.567 42.582 42.059 -0.072 0.000 1.211 300 L HN 0.972 nan 8.230 nan 0.000 0.422 301 C N 1.060 120.229 119.300 -0.220 0.000 3.019 301 C HA 0.474 4.934 4.460 0.000 0.000 0.295 301 C C 0.387 175.258 174.990 -0.198 0.000 1.256 301 C CA -0.346 58.491 59.018 -0.302 0.000 1.706 301 C CB -0.466 27.163 27.740 -0.184 0.000 2.153 301 C HN 0.827 nan 8.230 nan 0.000 0.618 302 D N -0.046 120.238 120.400 -0.193 0.000 2.803 302 D HA 0.411 5.051 4.640 0.000 0.000 0.218 302 D C -1.863 174.175 176.300 -0.438 0.000 1.245 302 D CA 0.073 53.978 54.000 -0.158 0.000 0.821 302 D CB 2.782 43.482 40.800 -0.168 0.000 1.626 302 D HN 0.207 nan 8.370 nan 0.000 0.487 303 V N 2.350 121.929 119.914 -0.559 0.000 2.610 303 V HA 0.694 4.814 4.120 0.000 0.000 0.298 303 V C -1.491 174.162 176.094 -0.736 0.000 1.067 303 V CA 0.051 61.806 62.300 -0.908 0.000 0.894 303 V CB 1.513 32.435 31.823 -1.501 0.000 1.015 303 V HN 0.705 nan 8.190 nan 0.000 0.432 304 T N 2.250 116.501 114.554 -0.504 0.000 2.971 304 T HA 0.600 4.950 4.350 0.000 0.000 0.304 304 T C -0.916 173.613 174.700 -0.286 0.000 1.038 304 T CA -0.471 61.491 62.100 -0.230 0.000 1.007 304 T CB 1.124 69.951 68.868 -0.069 0.000 1.055 304 T HN 0.715 nan 8.240 nan 0.000 0.451 305 W N 1.669 122.886 121.300 -0.139 0.000 2.170 305 W HA 0.565 5.225 4.660 0.000 0.000 0.336 305 W C 1.168 177.498 176.519 -0.316 0.000 1.283 305 W CA 0.020 57.271 57.345 -0.157 0.000 1.224 305 W CB 0.810 30.279 29.460 0.016 0.000 1.132 305 W HN 0.992 nan 8.180 nan 0.000 0.571 306 A N 1.365 124.033 122.820 -0.253 0.000 1.984 306 A HA 0.262 4.582 4.320 0.000 0.000 0.203 306 A C 0.739 178.292 177.584 -0.051 0.000 1.292 306 A CA 1.386 53.082 52.037 -0.569 0.000 0.782 306 A CB -0.285 18.028 19.000 -1.145 0.000 0.924 306 A HN 0.529 nan 8.150 nan 0.000 0.475 307 T N -5.569 109.062 114.554 0.128 0.000 2.681 307 T HA 0.337 4.687 4.350 0.000 0.000 0.296 307 T C 0.090 174.984 174.700 0.324 0.000 1.157 307 T CA -0.370 61.850 62.100 0.200 0.000 1.025 307 T CB 0.734 69.700 68.868 0.164 0.000 1.441 307 T HN -0.089 nan 8.240 nan 0.000 0.504 308 Q N 0.478 120.426 119.800 0.246 0.000 2.297 308 Q HA -0.041 4.299 4.340 0.000 0.000 0.208 308 Q C 0.770 177.042 176.000 0.454 0.000 0.981 308 Q CA 1.618 57.575 55.803 0.256 0.000 0.876 308 Q CB -0.160 28.679 28.738 0.168 0.000 0.921 308 Q HN 0.851 nan 8.270 nan 0.000 0.446 309 E N -0.562 119.904 120.200 0.444 0.000 2.921 309 E HA 0.227 4.577 4.350 0.000 0.000 0.203 309 E C -0.193 176.656 176.600 0.416 0.000 0.975 309 E CA -0.174 56.493 56.400 0.444 0.000 1.225 309 E CB 1.171 31.030 29.700 0.265 0.000 1.048 309 E HN -0.057 nan 8.360 nan 0.000 0.477 310 R N 1.753 122.545 120.500 0.487 0.000 2.514 310 R HA 0.510 4.850 4.340 0.000 0.000 0.296 310 R C -1.600 174.724 176.300 0.040 0.000 1.012 310 R CA -0.455 55.804 56.100 0.266 0.000 0.897 310 R CB 1.554 31.915 30.300 0.102 0.000 1.184 310 R HN 0.119 nan 8.270 nan 0.000 0.440 311 I N 2.943 123.370 120.570 -0.238 0.000 2.509 311 I HA 0.366 4.536 4.170 0.000 0.000 0.293 311 I C -0.541 175.241 176.117 -0.557 0.000 1.020 311 I CA -0.421 60.423 61.300 -0.761 0.000 1.088 311 I CB 2.083 39.178 38.000 -1.507 0.000 1.267 311 I HN 0.722 nan 8.210 nan 0.000 0.430 312 S N 7.323 122.679 115.700 -0.574 0.000 2.565 312 S HA 0.791 5.261 4.470 0.000 0.000 0.290 312 S C -0.962 173.305 174.600 -0.555 0.000 1.150 312 S CA -0.685 57.266 58.200 -0.415 0.000 1.058 312 S CB 1.936 65.007 63.200 -0.215 0.000 1.032 312 S HN 0.460 nan 8.310 nan 0.000 0.510 313 L N 1.713 122.631 121.223 -0.508 0.000 2.431 313 L HA 0.518 4.858 4.340 0.000 0.000 0.266 313 L C -0.479 176.059 176.870 -0.552 0.000 0.978 313 L CA -0.140 54.279 54.840 -0.702 0.000 0.822 313 L CB 2.222 43.773 42.059 -0.848 0.000 1.310 313 L HN 0.831 nan 8.230 nan 0.000 0.409 314 Q N 1.838 121.259 119.800 -0.631 0.000 2.333 314 Q HA 0.488 4.828 4.340 0.000 0.000 0.267 314 Q C -1.663 174.028 176.000 -0.515 0.000 1.012 314 Q CA -0.541 55.017 55.803 -0.408 0.000 0.824 314 Q CB 2.241 30.815 28.738 -0.274 0.000 1.290 314 Q HN 0.531 nan 8.270 nan 0.000 0.449 315 W N 2.253 123.508 121.300 -0.075 0.000 2.736 315 W HA 0.689 5.349 4.660 0.000 0.000 0.355 315 W C -0.909 175.640 176.519 0.050 0.000 1.102 315 W CA -0.634 56.721 57.345 0.017 0.000 1.164 315 W CB 1.071 30.540 29.460 0.015 0.000 1.422 315 W HN 0.387 nan 8.180 nan 0.000 0.572 316 L N 1.509 122.966 121.223 0.389 0.000 2.526 316 L HA 0.526 4.866 4.340 0.000 0.000 0.263 316 L C -0.415 176.644 176.870 0.316 0.000 0.943 316 L CA -1.012 54.008 54.840 0.300 0.000 0.859 316 L CB 1.469 43.680 42.059 0.254 0.000 1.313 316 L HN 0.452 nan 8.230 nan 0.000 0.406 317 R N 2.530 123.178 120.500 0.247 0.000 2.707 317 R HA 0.318 4.658 4.340 0.000 0.000 0.270 317 R C 0.956 177.301 176.300 0.076 0.000 1.083 317 R CA -0.364 55.825 56.100 0.149 0.000 1.182 317 R CB 0.423 30.802 30.300 0.132 0.000 1.084 317 R HN 0.602 nan 8.270 nan 0.000 0.528 318 R N 0.932 121.392 120.500 -0.066 0.000 2.193 318 R HA -0.052 4.288 4.340 0.000 0.000 0.229 318 R C 0.263 176.610 176.300 0.078 0.000 1.110 318 R CA 0.947 57.004 56.100 -0.072 0.000 0.988 318 R CB 0.208 30.431 30.300 -0.128 0.000 0.871 318 R HN 0.400 nan 8.270 nan 0.000 0.458 319 I N 2.867 123.476 120.570 0.065 0.000 2.224 319 I HA 0.022 4.192 4.170 0.000 0.000 0.293 319 I C 0.315 176.495 176.117 0.105 0.000 1.155 319 I CA 0.238 61.579 61.300 0.069 0.000 1.297 319 I CB 0.601 38.629 38.000 0.046 0.000 1.487 319 I HN 0.141 nan 8.210 nan 0.000 0.564 320 Q N 3.409 123.274 119.800 0.108 0.000 2.263 320 Q HA -0.140 4.200 4.340 0.000 0.000 0.175 320 Q C 0.993 177.069 176.000 0.126 0.000 0.826 320 Q CA 0.217 56.092 55.803 0.120 0.000 1.045 320 Q CB -0.373 28.401 28.738 0.062 0.000 1.140 320 Q HN 0.625 nan 8.270 nan 0.000 0.461 321 N N -0.919 117.860 118.700 0.133 0.000 2.220 321 N HA -0.075 4.665 4.740 0.000 0.000 0.195 321 N C -0.626 174.996 175.510 0.186 0.000 1.123 321 N CA 0.062 53.186 53.050 0.123 0.000 0.874 321 N CB 0.318 38.861 38.487 0.092 0.000 0.995 321 N HN 0.221 nan 8.380 nan 0.000 0.498 322 Y N 0.237 120.563 120.300 0.044 0.000 2.462 322 Y HA 0.624 5.174 4.550 0.000 0.000 0.346 322 Y C -1.035 174.901 175.900 0.061 0.000 0.976 322 Y CA -1.131 56.994 58.100 0.041 0.000 1.044 322 Y CB 2.116 40.592 38.460 0.028 0.000 1.230 322 Y HN -0.020 nan 8.280 nan 0.000 0.455 323 S N 4.031 119.521 115.700 -0.349 0.000 2.546 323 S HA 0.772 5.242 4.470 0.000 0.000 0.272 323 S C -2.261 172.177 174.600 -0.270 0.000 1.140 323 S CA -0.543 57.553 58.200 -0.173 0.000 0.920 323 S CB 1.027 64.183 63.200 -0.073 0.000 1.083 323 S HN 0.479 nan 8.310 nan 0.000 0.476 324 V N 5.616 125.487 119.914 -0.072 0.000 2.487 324 V HA 0.553 4.673 4.120 0.000 0.000 0.298 324 V C -0.139 175.985 176.094 0.051 0.000 1.028 324 V CA -0.628 61.652 62.300 -0.033 0.000 0.860 324 V CB 1.691 33.533 31.823 0.032 0.000 0.991 324 V HN 0.940 nan 8.190 nan 0.000 0.427 325 M N 4.282 123.880 119.600 -0.004 0.000 2.149 325 M HA 0.509 4.989 4.480 0.000 0.000 0.342 325 M C -1.347 174.964 176.300 0.017 0.000 1.068 325 M CA -0.311 54.965 55.300 -0.041 0.000 0.991 325 M CB 0.977 33.492 32.600 -0.142 0.000 1.596 325 M HN 0.560 nan 8.290 nan 0.000 0.439 326 D N 5.664 126.068 120.400 0.008 0.000 2.192 326 D HA 0.483 5.123 4.640 0.000 0.000 0.246 326 D C -0.820 175.455 176.300 -0.042 0.000 1.042 326 D CA -0.029 53.981 54.000 0.016 0.000 0.847 326 D CB 1.959 42.794 40.800 0.057 0.000 1.186 326 D HN 0.634 nan 8.370 nan 0.000 0.461 327 I N 2.699 123.274 120.570 0.010 0.000 2.390 327 I HA 0.237 4.407 4.170 0.000 0.000 0.283 327 I C -0.440 175.690 176.117 0.021 0.000 1.016 327 I CA -0.561 60.743 61.300 0.007 0.000 1.151 327 I CB 0.959 39.027 38.000 0.113 0.000 1.293 327 I HN 0.158 nan 8.210 nan 0.000 0.458 328 c N 3.824 122.422 118.600 -0.003 0.000 2.376 328 c HA 0.562 5.132 4.570 0.000 0.000 0.335 328 c C -0.001 174.223 174.090 0.223 0.000 1.229 328 c CA -0.684 55.706 56.329 0.101 0.000 1.867 328 c CB 0.821 43.397 42.510 0.109 0.000 2.319 328 c HN 0.607 nan 8.230 nan 0.000 0.515 329 D N -0.464 120.045 120.400 0.181 0.000 2.299 329 D HA 0.365 5.005 4.640 0.000 0.000 0.243 329 D C -0.892 175.328 176.300 -0.134 0.000 0.982 329 D CA -0.285 53.770 54.000 0.092 0.000 0.924 329 D CB 0.754 41.570 40.800 0.027 0.000 1.238 329 D HN 0.595 nan 8.370 nan 0.000 0.484 330 Y N 1.465 121.381 120.300 -0.640 0.000 2.365 330 Y HA 0.167 4.717 4.550 0.000 0.000 0.340 330 Y C -0.222 175.404 175.900 -0.456 0.000 1.016 330 Y CA -0.504 56.966 58.100 -1.050 0.000 1.196 330 Y CB 0.672 38.358 38.460 -1.291 0.000 1.167 330 Y HN 0.206 nan 8.280 nan 0.000 0.509 331 D N 6.040 125.919 120.400 -0.867 0.000 2.453 331 D HA 0.003 4.643 4.640 0.000 0.000 0.223 331 D C 0.873 176.634 176.300 -0.898 0.000 1.183 331 D CA 0.140 53.764 54.000 -0.626 0.000 0.933 331 D CB 0.516 41.098 40.800 -0.364 0.000 1.038 331 D HN 0.947 nan 8.370 nan 0.000 0.513 332 E N 1.915 121.670 120.200 -0.741 0.000 2.273 332 E HA -0.220 4.130 4.350 0.000 0.000 0.198 332 E C 1.448 177.889 176.600 -0.265 0.000 1.002 332 E CA 0.868 56.978 56.400 -0.483 0.000 0.828 332 E CB 0.347 29.968 29.700 -0.131 0.000 0.747 332 E HN 0.368 nan 8.360 nan 0.000 0.491 333 S N -0.853 114.707 115.700 -0.234 0.000 2.348 333 S HA -0.097 4.374 4.470 0.000 0.000 0.219 333 S C 1.991 176.517 174.600 -0.122 0.000 1.033 333 S CA 1.469 59.589 58.200 -0.132 0.000 0.974 333 S CB -0.163 62.974 63.200 -0.105 0.000 0.868 333 S HN 0.248 nan 8.310 nan 0.000 0.459 334 S N -0.634 114.967 115.700 -0.165 0.000 2.501 334 S HA 0.257 4.727 4.470 0.000 0.000 0.220 334 S C 1.339 175.882 174.600 -0.094 0.000 0.997 334 S CA 1.158 59.292 58.200 -0.110 0.000 0.919 334 S CB -0.654 62.487 63.200 -0.099 0.000 0.778 334 S HN 1.247 nan 8.310 nan 0.000 0.523 335 G N 1.502 110.172 108.800 -0.217 0.000 2.168 335 G HA2 -0.222 3.738 3.960 0.000 0.000 0.257 335 G HA3 -0.222 3.738 3.960 0.000 0.000 0.257 335 G C 0.066 175.019 174.900 0.089 0.000 0.997 335 G CA 0.344 45.427 45.100 -0.029 0.000 0.708 335 G HN 0.461 nan 8.290 nan 0.000 0.520 336 R N -1.453 118.993 120.500 -0.090 0.000 2.720 336 R HA 0.594 4.934 4.340 0.000 0.000 0.272 336 R C -0.689 175.586 176.300 -0.041 0.000 0.991 336 R CA -1.009 55.120 56.100 0.049 0.000 1.010 336 R CB 0.734 31.054 30.300 0.033 0.000 1.141 336 R HN 0.174 nan 8.270 nan 0.000 0.494 337 W N 0.956 122.279 121.300 0.039 0.000 2.391 337 W HA 0.383 5.043 4.660 0.000 0.000 0.311 337 W C 0.074 176.579 176.519 -0.023 0.000 1.087 337 W CA -0.275 57.080 57.345 0.016 0.000 1.209 337 W CB 0.746 30.207 29.460 0.001 0.000 1.273 337 W HN 0.404 nan 8.180 nan 0.000 0.482 338 N N 2.026 120.808 118.700 0.136 0.000 2.417 338 N HA 0.597 5.337 4.740 0.000 0.000 0.300 338 N C -1.491 174.064 175.510 0.075 0.000 1.102 338 N CA -0.715 52.376 53.050 0.069 0.000 0.886 338 N CB 1.265 39.753 38.487 0.002 0.000 1.203 338 N HN 0.189 nan 8.380 nan 0.000 0.496 339 c N 2.555 121.180 118.600 0.042 0.000 2.437 339 c HA 0.369 4.939 4.570 0.000 0.000 0.307 339 c C 0.186 174.280 174.090 0.008 0.000 1.093 339 c CA -1.074 55.272 56.329 0.028 0.000 1.463 339 c CB -1.140 41.380 42.510 0.016 0.000 1.926 339 c HN 0.601 nan 8.230 nan 0.000 0.420 340 L N 2.265 123.495 121.223 0.011 0.000 2.453 340 L HA 0.079 4.419 4.340 0.000 0.000 0.272 340 L C 1.617 178.478 176.870 -0.014 0.000 1.182 340 L CA 0.222 55.060 54.840 -0.003 0.000 0.858 340 L CB 0.655 42.716 42.059 0.004 0.000 1.120 340 L HN 0.610 nan 8.230 nan 0.000 0.474 341 V N 3.953 123.850 119.914 -0.028 0.000 2.720 341 V HA -0.217 3.903 4.120 0.000 0.000 0.256 341 V C 2.167 178.225 176.094 -0.061 0.000 1.082 341 V CA 2.037 64.311 62.300 -0.043 0.000 1.101 341 V CB 0.039 31.836 31.823 -0.042 0.000 0.693 341 V HN 0.975 nan 8.190 nan 0.000 0.479 342 A N -0.202 122.590 122.820 -0.048 0.000 2.209 342 A HA 0.006 4.326 4.320 0.000 0.000 0.212 342 A C 2.067 179.605 177.584 -0.076 0.000 1.158 342 A CA 0.993 52.994 52.037 -0.059 0.000 0.742 342 A CB -0.345 18.636 19.000 -0.032 0.000 0.790 342 A HN 0.626 nan 8.150 nan 0.000 0.472 343 R N -0.879 119.591 120.500 -0.050 0.000 2.577 343 R HA 0.163 4.503 4.340 0.000 0.000 0.344 343 R C 0.250 176.541 176.300 -0.016 0.000 1.037 343 R CA -0.137 55.971 56.100 0.012 0.000 1.102 343 R CB 0.359 30.722 30.300 0.106 0.000 1.313 343 R HN 0.584 nan 8.270 nan 0.000 0.561 344 Q N 1.013 120.727 119.800 -0.143 0.000 2.296 344 Q HA 0.141 4.481 4.340 0.000 0.000 0.257 344 Q C -1.215 174.629 176.000 -0.260 0.000 0.942 344 Q CA -0.462 55.283 55.803 -0.095 0.000 0.939 344 Q CB 0.700 29.398 28.738 -0.066 0.000 1.198 344 Q HN 0.231 nan 8.270 nan 0.000 0.429 345 H N 3.175 122.217 119.070 -0.046 0.000 2.511 345 H HA 0.382 4.938 4.556 0.000 0.000 0.328 345 H C -0.813 174.453 175.328 -0.102 0.000 1.044 345 H CA -0.487 55.526 56.048 -0.058 0.000 1.212 345 H CB 0.934 30.628 29.762 -0.114 0.000 1.428 345 H HN 0.535 nan 8.280 nan 0.000 0.483 346 I N 1.778 122.335 120.570 -0.023 0.000 2.566 346 I HA 0.237 4.407 4.170 0.000 0.000 0.303 346 I C 0.147 176.198 176.117 -0.111 0.000 0.983 346 I CA -0.202 61.002 61.300 -0.160 0.000 1.235 346 I CB 1.186 39.067 38.000 -0.199 0.000 1.386 346 I HN 0.641 nan 8.210 nan 0.000 0.494 347 E N 6.279 126.354 120.200 -0.209 0.000 2.448 347 E HA 0.425 4.775 4.350 0.000 0.000 0.288 347 E C -1.501 175.025 176.600 -0.123 0.000 0.936 347 E CA -0.515 55.829 56.400 -0.094 0.000 0.809 347 E CB 0.912 30.586 29.700 -0.043 0.000 1.408 347 E HN 0.582 nan 8.360 nan 0.000 0.393 348 M N 0.866 120.436 119.600 -0.050 0.000 2.724 348 M HA 0.667 5.147 4.480 0.000 0.000 0.310 348 M C -0.415 175.905 176.300 0.033 0.000 1.217 348 M CA -1.037 54.280 55.300 0.029 0.000 0.894 348 M CB 2.093 34.784 32.600 0.151 0.000 1.719 348 M HN 0.217 nan 8.290 nan 0.000 0.479 349 S N -0.433 115.287 115.700 0.034 0.000 2.521 349 S HA 0.545 5.015 4.470 0.000 0.000 0.295 349 S C 0.420 175.014 174.600 -0.009 0.000 1.098 349 S CA -0.102 58.095 58.200 -0.005 0.000 0.999 349 S CB 1.758 64.923 63.200 -0.057 0.000 1.034 349 S HN 0.902 nan 8.310 nan 0.000 0.483 350 T N -0.296 114.248 114.554 -0.016 0.000 3.033 350 T HA 0.029 4.379 4.350 0.000 0.000 0.248 350 T C 1.522 176.196 174.700 -0.043 0.000 1.040 350 T CA 1.067 63.157 62.100 -0.015 0.000 1.133 350 T CB -0.747 68.120 68.868 -0.002 0.000 0.895 350 T HN 0.694 nan 8.240 nan 0.000 0.465 351 T N -1.341 113.178 114.554 -0.057 0.000 3.122 351 T HA 0.625 4.975 4.350 0.000 0.000 0.250 351 T C 0.958 175.464 174.700 -0.324 0.000 1.067 351 T CA 0.216 62.273 62.100 -0.071 0.000 0.966 351 T CB 0.112 69.004 68.868 0.040 0.000 1.002 351 T HN 0.735 nan 8.240 nan 0.000 0.542 352 G N 0.554 109.058 108.800 -0.494 0.000 2.485 352 G HA2 0.438 4.398 3.960 0.000 0.000 0.182 352 G HA3 0.438 4.398 3.960 0.000 0.000 0.182 352 G C -1.700 172.952 174.900 -0.413 0.000 1.172 352 G CA -0.542 44.035 45.100 -0.871 0.000 0.996 352 G HN 0.494 nan 8.290 nan 0.000 0.496 353 W N -0.065 121.023 121.300 -0.353 0.000 2.481 353 W HA 0.776 5.436 4.660 0.000 0.000 0.369 353 W C -0.322 176.165 176.519 -0.054 0.000 1.235 353 W CA -1.367 55.882 57.345 -0.160 0.000 1.344 353 W CB 0.793 30.138 29.460 -0.191 0.000 1.360 353 W HN 0.296 nan 8.180 nan 0.000 0.658 354 V N 3.264 123.273 119.914 0.158 0.000 2.406 354 V HA 0.643 4.763 4.120 0.000 0.000 0.272 354 V C 0.845 177.031 176.094 0.153 0.000 1.043 354 V CA 0.477 62.826 62.300 0.082 0.000 0.915 354 V CB -0.126 31.737 31.823 0.066 0.000 0.988 354 V HN 1.279 nan 8.190 nan 0.000 0.466 355 G N 5.266 114.111 108.800 0.075 0.000 2.828 355 G HA2 -0.217 3.743 3.960 0.000 0.000 0.463 355 G HA3 -0.217 3.743 3.960 0.000 0.000 0.463 355 G C 0.326 175.337 174.900 0.184 0.000 1.394 355 G CA 0.341 45.506 45.100 0.109 0.000 0.862 355 G HN 0.662 nan 8.290 nan 0.000 0.540 356 R N -1.144 119.443 120.500 0.146 0.000 2.057 356 R HA 0.207 4.547 4.340 0.000 0.000 0.229 356 R C 1.956 178.195 176.300 -0.103 0.000 1.136 356 R CA 2.199 58.339 56.100 0.066 0.000 0.952 356 R CB -0.106 30.221 30.300 0.045 0.000 0.848 356 R HN 0.458 nan 8.270 nan 0.000 0.430 357 F N -1.092 118.986 119.950 0.213 0.000 2.880 357 F HA 0.292 4.819 4.527 0.000 0.000 0.346 357 F C 0.242 176.062 175.800 0.034 0.000 1.054 357 F CA -0.481 57.585 58.000 0.110 0.000 1.151 357 F CB 0.813 39.882 39.000 0.115 0.000 1.066 357 F HN -0.127 nan 8.300 nan 0.000 0.566 358 R N -1.125 119.503 120.500 0.213 0.000 2.741 358 R HA 0.423 4.763 4.340 0.000 0.000 0.276 358 R C -3.358 173.002 176.300 0.100 0.000 1.028 358 R CA -1.845 54.314 56.100 0.098 0.000 0.865 358 R CB 0.335 30.660 30.300 0.041 0.000 1.268 358 R HN -0.355 nan 8.270 nan 0.000 0.475 359 P HA -0.021 nan 4.420 nan 0.000 0.265 359 P C -0.109 177.216 177.300 0.042 0.000 1.193 359 P CA 0.316 63.438 63.100 0.035 0.000 0.765 359 P CB 0.901 32.596 31.700 -0.009 0.000 0.823 360 S N 1.928 117.664 115.700 0.060 0.000 2.555 360 S HA -0.103 4.367 4.470 0.000 0.000 0.264 360 S C 0.178 174.807 174.600 0.049 0.000 1.378 360 S CA 0.043 58.294 58.200 0.086 0.000 0.996 360 S CB 0.015 63.280 63.200 0.108 0.000 0.869 360 S HN 0.469 nan 8.310 nan 0.000 0.546 361 E N 2.002 122.255 120.200 0.088 0.000 2.179 361 E HA 0.418 4.768 4.350 0.000 0.000 0.275 361 E C -2.516 174.057 176.600 -0.045 0.000 0.945 361 E CA -2.562 53.840 56.400 0.004 0.000 0.792 361 E CB 1.262 30.978 29.700 0.027 0.000 1.125 361 E HN 0.412 nan 8.360 nan 0.000 0.397 362 P HA 0.139 nan 4.420 nan 0.000 0.281 362 P C -1.111 176.047 177.300 -0.238 0.000 1.252 362 P CA -0.129 62.812 63.100 -0.264 0.000 0.778 362 P CB 0.693 32.048 31.700 -0.576 0.000 0.895 363 H N 3.368 122.501 119.070 0.105 0.000 2.786 363 H HA 0.268 4.824 4.556 0.000 0.000 0.284 363 H C -0.046 175.464 175.328 0.302 0.000 1.104 363 H CA -0.404 55.793 56.048 0.248 0.000 1.339 363 H CB 0.080 30.003 29.762 0.268 0.000 1.427 363 H HN 0.309 nan 8.280 nan 0.000 0.497 364 F N 1.833 121.975 119.950 0.319 0.000 2.450 364 F HA 0.039 4.566 4.527 0.000 0.000 0.339 364 F C 1.732 177.740 175.800 0.346 0.000 1.146 364 F CA -0.208 57.992 58.000 0.334 0.000 1.267 364 F CB 0.827 39.947 39.000 0.201 0.000 1.178 364 F HN 0.324 nan 8.300 nan 0.000 0.585 365 T N 0.815 115.677 114.554 0.513 0.000 2.816 365 T HA 0.162 4.512 4.350 0.000 0.000 0.282 365 T C 1.253 176.156 174.700 0.338 0.000 0.993 365 T CA -0.943 61.402 62.100 0.408 0.000 0.994 365 T CB 0.816 69.911 68.868 0.378 0.000 1.025 365 T HN 0.493 nan 8.240 nan 0.000 0.529 366 L N 1.525 122.901 121.223 0.255 0.000 1.951 366 L HA -0.170 4.170 4.340 0.000 0.000 0.222 366 L C 2.366 179.356 176.870 0.200 0.000 1.078 366 L CA 3.047 58.010 54.840 0.205 0.000 0.778 366 L CB -1.757 40.398 42.059 0.158 0.000 0.893 366 L HN 1.041 nan 8.230 nan 0.000 0.436 367 D N -0.847 119.665 120.400 0.186 0.000 2.389 367 D HA -0.069 4.571 4.640 0.000 0.000 0.221 367 D C 1.374 177.791 176.300 0.195 0.000 0.974 367 D CA 0.959 55.060 54.000 0.169 0.000 0.923 367 D CB -0.683 40.205 40.800 0.147 0.000 0.892 367 D HN 0.595 nan 8.370 nan 0.000 0.518 368 G N 0.113 109.071 108.800 0.263 0.000 2.225 368 G HA2 -0.335 3.625 3.960 0.000 0.000 0.267 368 G HA3 -0.335 3.625 3.960 0.000 0.000 0.267 368 G C 0.598 175.708 174.900 0.350 0.000 1.024 368 G CA 0.372 45.667 45.100 0.325 0.000 0.784 368 G HN 0.435 nan 8.290 nan 0.000 0.507 369 N N -0.093 118.780 118.700 0.289 0.000 2.203 369 N HA 0.246 4.986 4.740 0.000 0.000 0.207 369 N C 0.507 176.112 175.510 0.159 0.000 1.130 369 N CA 0.905 54.083 53.050 0.214 0.000 0.861 369 N CB 0.808 39.379 38.487 0.139 0.000 1.005 369 N HN 0.982 nan 8.380 nan 0.000 0.507 370 S N -0.248 115.576 115.700 0.207 0.000 2.578 370 S HA 0.687 5.157 4.470 0.000 0.000 0.272 370 S C -1.145 173.469 174.600 0.024 0.000 1.145 370 S CA -1.029 57.131 58.200 -0.066 0.000 0.835 370 S CB 1.301 64.340 63.200 -0.269 0.000 1.104 370 S HN 0.121 nan 8.310 nan 0.000 0.458 371 F N -1.581 118.168 119.950 -0.336 0.000 2.711 371 F HA 0.860 5.387 4.527 0.000 0.000 0.313 371 F C -2.132 173.513 175.800 -0.258 0.000 1.141 371 F CA -1.558 56.229 58.000 -0.355 0.000 0.941 371 F CB 0.552 38.962 39.000 -0.983 0.000 1.349 371 F HN 0.611 nan 8.300 nan 0.000 0.464 372 Y N 1.069 121.545 120.300 0.294 0.000 2.409 372 Y HA 0.711 5.261 4.550 0.000 0.000 0.339 372 Y C -0.188 175.924 175.900 0.354 0.000 1.033 372 Y CA -0.790 57.462 58.100 0.253 0.000 1.094 372 Y CB 2.110 40.657 38.460 0.146 0.000 1.210 372 Y HN 0.681 nan 8.280 nan 0.000 0.456 373 K N 2.165 122.833 120.400 0.447 0.000 2.502 373 K HA 0.600 4.920 4.320 0.000 0.000 0.257 373 K C -1.674 175.093 176.600 0.278 0.000 0.938 373 K CA -0.508 56.005 56.287 0.377 0.000 0.819 373 K CB 1.597 34.327 32.500 0.382 0.000 1.333 373 K HN 0.672 nan 8.250 nan 0.000 0.434 374 I N 6.250 126.954 120.570 0.224 0.000 2.291 374 I HA 0.313 4.483 4.170 0.000 0.000 0.290 374 I C -0.257 175.956 176.117 0.159 0.000 1.050 374 I CA -0.502 60.898 61.300 0.166 0.000 1.245 374 I CB 0.249 38.324 38.000 0.125 0.000 1.405 374 I HN 0.481 nan 8.210 nan 0.000 0.478 375 I N 2.970 123.665 120.570 0.207 0.000 2.730 375 I HA 0.532 4.702 4.170 0.000 0.000 0.298 375 I C 0.118 176.360 176.117 0.208 0.000 1.089 375 I CA -0.763 60.653 61.300 0.192 0.000 1.041 375 I CB 2.229 40.356 38.000 0.211 0.000 1.235 375 I HN 0.436 nan 8.210 nan 0.000 0.423 376 S N 3.892 119.634 115.700 0.070 0.000 2.533 376 S HA 0.171 4.641 4.470 0.000 0.000 0.282 376 S C 0.095 174.716 174.600 0.035 0.000 1.304 376 S CA -0.686 57.495 58.200 -0.032 0.000 1.063 376 S CB -0.064 63.049 63.200 -0.145 0.000 0.881 376 S HN 0.899 nan 8.310 nan 0.000 0.493 377 N N 2.275 120.873 118.700 -0.171 0.000 2.294 377 N HA 0.084 4.824 4.740 0.000 0.000 0.275 377 N C 0.388 175.833 175.510 -0.109 0.000 1.291 377 N CA -0.753 52.099 53.050 -0.330 0.000 0.933 377 N CB 0.311 38.320 38.487 -0.796 0.000 1.096 377 N HN 0.588 nan 8.380 nan 0.000 0.525 378 E N -0.129 120.015 120.200 -0.094 0.000 2.204 378 E HA -0.119 4.231 4.350 0.000 0.000 0.194 378 E C 0.871 177.439 176.600 -0.053 0.000 0.989 378 E CA 0.874 57.248 56.400 -0.043 0.000 0.824 378 E CB -0.260 29.424 29.700 -0.027 0.000 0.756 378 E HN 0.597 nan 8.360 nan 0.000 0.477 379 E N 0.199 120.367 120.200 -0.054 0.000 2.445 379 E HA 0.041 4.392 4.350 0.000 0.000 0.189 379 E C 0.557 177.174 176.600 0.028 0.000 1.069 379 E CA 0.243 56.656 56.400 0.020 0.000 0.871 379 E CB -0.045 29.688 29.700 0.055 0.000 0.991 379 E HN 0.350 nan 8.360 nan 0.000 0.481 380 G N 0.986 109.725 108.800 -0.102 0.000 2.160 380 G HA2 -0.300 3.660 3.960 0.000 0.000 0.251 380 G HA3 -0.300 3.660 3.960 0.000 0.000 0.251 380 G C -0.292 174.322 174.900 -0.477 0.000 1.008 380 G CA 0.344 45.273 45.100 -0.284 0.000 0.724 380 G HN 0.235 nan 8.290 nan 0.000 0.514 381 Y N -0.386 119.757 120.300 -0.261 0.000 2.352 381 Y HA 0.629 5.179 4.550 0.000 0.000 0.339 381 Y C 1.023 176.696 175.900 -0.378 0.000 0.992 381 Y CA -1.073 56.836 58.100 -0.319 0.000 1.100 381 Y CB 1.230 39.502 38.460 -0.314 0.000 1.192 381 Y HN 0.118 nan 8.280 nan 0.000 0.458 382 R N 3.600 123.913 120.500 -0.312 0.000 2.370 382 R HA 0.235 4.575 4.340 0.000 0.000 0.309 382 R C -0.654 175.318 176.300 -0.547 0.000 1.059 382 R CA 0.242 56.167 56.100 -0.292 0.000 0.981 382 R CB 0.016 30.198 30.300 -0.198 0.000 0.972 382 R HN 0.646 nan 8.270 nan 0.000 0.437 383 H N 1.621 120.604 119.070 -0.145 0.000 2.931 383 H HA 0.400 4.956 4.556 0.000 0.000 0.331 383 H C -0.258 175.091 175.328 0.035 0.000 1.273 383 H CA -0.846 55.086 56.048 -0.193 0.000 1.171 383 H CB 1.413 30.929 29.762 -0.410 0.000 1.898 383 H HN 0.309 nan 8.280 nan 0.000 0.562 384 I N 1.921 122.570 120.570 0.131 0.000 2.353 384 I HA 0.250 4.420 4.170 0.000 0.000 0.293 384 I C 0.346 176.533 176.117 0.117 0.000 0.992 384 I CA -0.523 60.833 61.300 0.094 0.000 1.268 384 I CB 0.666 38.625 38.000 -0.068 0.000 1.387 384 I HN 0.427 nan 8.210 nan 0.000 0.478 385 c N 4.224 122.824 118.600 0.001 0.000 2.698 385 c HA 0.475 5.045 4.570 0.000 0.000 0.309 385 c C -0.508 173.408 174.090 -0.290 0.000 1.186 385 c CA -1.052 55.105 56.329 -0.287 0.000 1.474 385 c CB 0.991 42.938 42.510 -0.938 0.000 2.020 385 c HN 0.725 nan 8.230 nan 0.000 0.474 386 Y N 2.357 122.350 120.300 -0.511 0.000 2.436 386 Y HA 0.589 5.139 4.550 0.000 0.000 0.336 386 Y C -0.775 174.673 175.900 -0.753 0.000 1.049 386 Y CA -0.835 56.879 58.100 -0.643 0.000 1.294 386 Y CB 0.069 38.266 38.460 -0.439 0.000 1.179 386 Y HN 0.705 nan 8.280 nan 0.000 0.520 387 F N 4.016 123.330 119.950 -1.059 0.000 2.443 387 F HA 0.374 4.901 4.527 0.000 0.000 0.335 387 F C -0.111 174.956 175.800 -1.221 0.000 1.104 387 F CA -0.760 56.501 58.000 -1.232 0.000 1.013 387 F CB 1.528 39.300 39.000 -2.046 0.000 1.136 387 F HN 0.297 nan 8.300 nan 0.000 0.470 388 Q N 3.350 122.818 119.800 -0.554 0.000 2.314 388 Q HA 0.327 4.667 4.340 0.000 0.000 0.259 388 Q C 1.133 177.092 176.000 -0.067 0.000 0.951 388 Q CA -0.225 55.359 55.803 -0.364 0.000 0.909 388 Q CB 1.168 29.742 28.738 -0.273 0.000 1.236 388 Q HN 0.705 nan 8.270 nan 0.000 0.444 389 I N 0.136 120.736 120.570 0.050 0.000 2.290 389 I HA -0.284 3.886 4.170 0.000 0.000 0.253 389 I C 0.625 176.919 176.117 0.294 0.000 1.112 389 I CA 2.012 63.489 61.300 0.294 0.000 1.377 389 I CB -0.105 38.080 38.000 0.309 0.000 1.060 389 I HN 0.516 nan 8.210 nan 0.000 0.428 390 D N -0.028 120.452 120.400 0.134 0.000 2.398 390 D HA 0.090 4.730 4.640 0.000 0.000 0.210 390 D C 0.494 176.803 176.300 0.015 0.000 1.094 390 D CA -0.103 53.932 54.000 0.059 0.000 0.839 390 D CB 0.139 40.959 40.800 0.034 0.000 0.963 390 D HN 0.274 nan 8.370 nan 0.000 0.506 391 K N 1.393 121.818 120.400 0.042 0.000 2.265 391 K HA 0.183 4.503 4.320 0.000 0.000 0.267 391 K C 0.783 177.420 176.600 0.062 0.000 0.994 391 K CA -0.524 55.762 56.287 -0.002 0.000 0.860 391 K CB 1.899 34.363 32.500 -0.060 0.000 1.099 391 K HN -0.240 nan 8.250 nan 0.000 0.448 392 K N 0.850 121.249 120.400 -0.002 0.000 2.148 392 K HA -0.024 4.296 4.320 0.000 0.000 0.204 392 K C 0.070 176.724 176.600 0.090 0.000 1.050 392 K CA 1.067 57.375 56.287 0.036 0.000 0.942 392 K CB 0.138 32.614 32.500 -0.041 0.000 0.724 392 K HN 0.552 nan 8.250 nan 0.000 0.446 393 D N 1.171 121.544 120.400 -0.044 0.000 2.277 393 D HA 0.053 4.693 4.640 0.000 0.000 0.249 393 D C 0.492 176.572 176.300 -0.366 0.000 1.134 393 D CA -0.226 53.677 54.000 -0.161 0.000 0.863 393 D CB 1.201 41.918 40.800 -0.138 0.000 1.143 393 D HN 0.157 nan 8.370 nan 0.000 0.458 394 c N 0.999 119.189 118.600 -0.683 0.000 2.345 394 c HA 0.729 5.299 4.570 0.000 0.000 0.369 394 c C 0.357 174.030 174.090 -0.696 0.000 1.273 394 c CA -0.441 55.245 56.329 -1.072 0.000 2.310 394 c CB 0.848 42.150 42.510 -2.015 0.000 2.219 394 c HN 0.494 nan 8.230 nan 0.000 0.587 395 T N 2.224 116.426 114.554 -0.587 0.000 2.833 395 T HA 0.444 4.794 4.350 0.000 0.000 0.297 395 T C -0.639 173.878 174.700 -0.304 0.000 1.015 395 T CA 0.147 62.058 62.100 -0.316 0.000 0.963 395 T CB 0.088 68.911 68.868 -0.074 0.000 0.955 395 T HN 0.489 nan 8.240 nan 0.000 0.449 396 F N 3.303 123.140 119.950 -0.188 0.000 2.563 396 F HA 0.223 4.750 4.527 0.000 0.000 0.363 396 F C 1.638 177.288 175.800 -0.251 0.000 1.123 396 F CA -0.722 57.151 58.000 -0.213 0.000 1.307 396 F CB 0.417 39.295 39.000 -0.203 0.000 1.115 396 F HN 0.570 nan 8.300 nan 0.000 0.592 397 I N -1.123 119.360 120.570 -0.144 0.000 4.154 397 I HA 0.263 4.433 4.170 0.000 0.000 0.334 397 I C -0.085 175.865 176.117 -0.278 0.000 1.371 397 I CA -0.058 60.982 61.300 -0.433 0.000 1.110 397 I CB 0.149 37.550 38.000 -0.999 0.000 1.085 397 I HN 0.464 nan 8.210 nan 0.000 0.398 398 T N -1.713 112.672 114.554 -0.281 0.000 2.893 398 T HA 0.466 4.816 4.350 0.000 0.000 0.291 398 T C 0.187 174.388 174.700 -0.832 0.000 1.028 398 T CA -0.766 61.094 62.100 -0.399 0.000 0.995 398 T CB 2.611 71.281 68.868 -0.329 0.000 1.051 398 T HN 0.098 nan 8.240 nan 0.000 0.470 399 K N 0.771 120.836 120.400 -0.559 0.000 2.624 399 K HA 0.167 4.487 4.320 0.000 0.000 0.302 399 K C 1.279 177.317 176.600 -0.937 0.000 0.722 399 K CA 1.138 57.127 56.287 -0.498 0.000 0.848 399 K CB -0.686 31.955 32.500 0.236 0.000 0.401 399 K HN 0.809 nan 8.250 nan 0.000 1.009 400 G N -0.821 107.631 108.800 -0.581 0.000 3.267 400 G HA2 0.048 4.008 3.960 0.000 0.000 0.200 400 G HA3 0.048 4.008 3.960 0.000 0.000 0.200 400 G C -0.744 173.719 174.900 -0.729 0.000 1.603 400 G CA -0.434 44.322 45.100 -0.574 0.000 0.753 400 G HN 0.442 nan 8.290 nan 0.000 0.755 401 T N 2.711 116.885 114.554 -0.634 0.000 2.735 401 T HA 0.246 4.596 4.350 0.000 0.000 0.218 401 T C -0.611 174.065 174.700 -0.039 0.000 1.111 401 T CA 1.288 62.990 62.100 -0.662 0.000 3.013 401 T CB -1.757 66.928 68.868 -0.305 0.000 0.952 401 T HN 0.555 nan 8.240 nan 0.000 0.406 402 W N -0.177 120.989 121.300 -0.223 0.000 3.399 402 W HA 0.238 4.898 4.660 0.000 0.000 0.326 402 W C -1.564 174.932 176.519 -0.038 0.000 0.779 402 W CA -0.934 56.401 57.345 -0.017 0.000 0.826 402 W CB 0.194 29.633 29.460 -0.035 0.000 1.318 402 W HN 0.246 nan 8.180 nan 0.000 0.521 403 E N 0.824 121.109 120.200 0.142 0.000 2.320 403 E HA 0.599 4.949 4.350 0.000 0.000 0.264 403 E C -0.980 175.656 176.600 0.060 0.000 0.923 403 E CA -1.296 54.971 56.400 -0.221 0.000 0.796 403 E CB 3.101 32.739 29.700 -0.103 0.000 1.262 403 E HN 0.202 nan 8.360 nan 0.000 0.428 404 V N 2.810 122.645 119.914 -0.132 0.000 2.465 404 V HA 0.048 4.168 4.120 0.000 0.000 0.279 404 V C 1.065 177.245 176.094 0.142 0.000 1.045 404 V CA -0.222 62.140 62.300 0.102 0.000 0.938 404 V CB 0.959 32.744 31.823 -0.063 0.000 0.986 404 V HN 0.662 nan 8.190 nan 0.000 0.467 405 I N 2.835 123.541 120.570 0.227 0.000 2.480 405 I HA 0.264 4.434 4.170 0.000 0.000 0.251 405 I C 1.088 177.339 176.117 0.222 0.000 1.124 405 I CA 1.139 62.581 61.300 0.237 0.000 1.444 405 I CB -0.785 37.329 38.000 0.190 0.000 1.098 405 I HN 0.768 nan 8.210 nan 0.000 0.428 406 G N 0.681 109.608 108.800 0.211 0.000 2.519 406 G HA2 0.499 4.459 3.960 0.000 0.000 0.292 406 G HA3 0.499 4.459 3.960 0.000 0.000 0.292 406 G C -1.328 173.668 174.900 0.159 0.000 1.507 406 G CA -0.633 44.582 45.100 0.191 0.000 0.806 406 G HN -0.042 nan 8.290 nan 0.000 0.523 407 I N 1.551 122.151 120.570 0.050 0.000 2.325 407 I HA 0.270 4.440 4.170 0.000 0.000 0.291 407 I C 0.696 176.783 176.117 -0.049 0.000 1.019 407 I CA -0.627 60.598 61.300 -0.126 0.000 1.302 407 I CB 1.760 39.380 38.000 -0.633 0.000 1.401 407 I HN 0.497 nan 8.210 nan 0.000 0.485 408 E N 4.889 125.104 120.200 0.025 0.000 2.251 408 E HA 0.308 4.658 4.350 0.000 0.000 0.194 408 E C 0.216 176.754 176.600 -0.103 0.000 0.964 408 E CA 0.272 56.709 56.400 0.061 0.000 0.868 408 E CB 0.662 30.469 29.700 0.179 0.000 0.828 408 E HN 0.672 nan 8.360 nan 0.000 0.481 409 A N 0.813 123.495 122.820 -0.230 0.000 2.594 409 A HA 0.563 4.883 4.320 0.000 0.000 0.296 409 A C -1.779 175.725 177.584 -0.133 0.000 1.061 409 A CA -0.610 51.226 52.037 -0.335 0.000 0.689 409 A CB 1.490 19.835 19.000 -1.093 0.000 1.280 409 A HN 0.063 nan 8.150 nan 0.000 0.406 410 L N 3.034 124.220 121.223 -0.061 0.000 2.406 410 L HA 0.720 5.060 4.340 0.000 0.000 0.270 410 L C -0.042 176.850 176.870 0.038 0.000 0.982 410 L CA 0.168 54.997 54.840 -0.018 0.000 0.843 410 L CB 1.353 43.424 42.059 0.019 0.000 1.225 410 L HN 1.178 nan 8.230 nan 0.000 0.412 411 T N 0.043 114.630 114.554 0.055 0.000 2.841 411 T HA 0.364 4.714 4.350 0.000 0.000 0.276 411 T C 1.253 175.986 174.700 0.056 0.000 1.003 411 T CA 0.142 62.288 62.100 0.076 0.000 0.995 411 T CB 1.408 70.348 68.868 0.119 0.000 1.260 411 T HN 0.570 nan 8.240 nan 0.000 0.581 412 S N -0.383 115.350 115.700 0.055 0.000 2.423 412 S HA -0.088 4.382 4.470 0.000 0.000 0.231 412 S C 1.214 175.794 174.600 -0.033 0.000 1.014 412 S CA 0.903 59.121 58.200 0.030 0.000 0.965 412 S CB -0.601 62.621 63.200 0.037 0.000 0.785 412 S HN 0.699 nan 8.310 nan 0.000 0.495 413 D N 0.529 120.908 120.400 -0.035 0.000 2.191 413 D HA 0.191 4.831 4.640 0.000 0.000 0.221 413 D C 0.059 176.114 176.300 -0.409 0.000 1.006 413 D CA 1.016 54.904 54.000 -0.187 0.000 0.910 413 D CB 0.017 40.838 40.800 0.035 0.000 1.031 413 D HN 0.394 nan 8.370 nan 0.000 0.447 414 Y N -0.638 119.590 120.300 -0.119 0.000 2.675 414 Y HA 0.533 5.083 4.550 0.000 0.000 0.328 414 Y C -0.086 175.606 175.900 -0.346 0.000 1.092 414 Y CA -0.943 56.991 58.100 -0.277 0.000 1.190 414 Y CB 1.533 39.696 38.460 -0.495 0.000 1.350 414 Y HN -0.158 nan 8.280 nan 0.000 0.525 415 L N 1.310 122.383 121.223 -0.250 0.000 2.376 415 L HA 0.535 4.875 4.340 0.000 0.000 0.275 415 L C -1.943 174.743 176.870 -0.306 0.000 0.987 415 L CA -0.674 53.999 54.840 -0.278 0.000 0.828 415 L CB 0.865 42.705 42.059 -0.366 0.000 1.249 415 L HN 0.573 nan 8.230 nan 0.000 0.409 416 Y N 4.888 125.099 120.300 -0.149 0.000 2.320 416 Y HA 0.518 5.068 4.550 0.000 0.000 0.334 416 Y C -0.322 175.567 175.900 -0.019 0.000 1.055 416 Y CA -0.384 57.627 58.100 -0.148 0.000 1.143 416 Y CB 1.073 39.343 38.460 -0.316 0.000 1.193 416 Y HN 0.508 nan 8.280 nan 0.000 0.477 417 Y N 0.106 120.454 120.300 0.080 0.000 2.625 417 Y HA 0.837 5.387 4.550 0.000 0.000 0.338 417 Y C -1.730 174.262 175.900 0.154 0.000 1.123 417 Y CA -2.029 56.119 58.100 0.080 0.000 1.046 417 Y CB 1.253 39.736 38.460 0.037 0.000 1.299 417 Y HN 0.419 nan 8.280 nan 0.000 0.464 418 I N 2.865 123.603 120.570 0.279 0.000 2.474 418 I HA 0.666 4.836 4.170 0.000 0.000 0.294 418 I C -0.477 175.838 176.117 0.331 0.000 1.005 418 I CA -0.470 60.951 61.300 0.202 0.000 1.113 418 I CB 2.117 40.197 38.000 0.133 0.000 1.289 418 I HN 0.920 nan 8.210 nan 0.000 0.436 419 S N 3.062 118.942 115.700 0.299 0.000 2.705 419 S HA 0.444 4.914 4.470 0.000 0.000 0.280 419 S C -0.766 173.938 174.600 0.173 0.000 1.174 419 S CA -0.865 57.516 58.200 0.302 0.000 0.823 419 S CB 1.677 65.162 63.200 0.474 0.000 1.162 419 S HN 0.628 nan 8.310 nan 0.000 0.487 420 N N -0.550 118.250 118.700 0.166 0.000 2.458 420 N HA 0.200 4.940 4.740 0.000 0.000 0.274 420 N C 0.367 175.893 175.510 0.028 0.000 1.242 420 N CA -0.462 52.629 53.050 0.068 0.000 0.904 420 N CB 0.414 38.913 38.487 0.021 0.000 1.206 420 N HN 0.783 nan 8.380 nan 0.000 0.510 421 E N -0.165 119.932 120.200 -0.172 0.000 2.072 421 E HA -0.147 4.203 4.350 0.000 0.000 0.190 421 E C -0.363 176.084 176.600 -0.255 0.000 0.982 421 E CA 0.165 56.193 56.400 -0.620 0.000 0.803 421 E CB 0.001 28.643 29.700 -1.762 0.000 0.755 421 E HN 0.397 nan 8.360 nan 0.000 0.453 422 Y N 1.767 121.991 120.300 -0.126 0.000 2.904 422 Y HA -0.159 4.391 4.550 0.000 0.000 0.336 422 Y C 0.587 176.453 175.900 -0.057 0.000 1.263 422 Y CA 0.688 58.759 58.100 -0.049 0.000 1.547 422 Y CB 0.320 38.776 38.460 -0.006 0.000 1.272 422 Y HN -0.002 nan 8.280 nan 0.000 0.596 423 K N 3.407 123.378 120.400 -0.715 0.000 2.927 423 K HA -0.256 4.064 4.320 0.000 0.000 0.265 423 K C 1.015 177.520 176.600 -0.159 0.000 1.037 423 K CA 1.356 57.363 56.287 -0.466 0.000 0.783 423 K CB -1.653 30.578 32.500 -0.449 0.000 1.211 423 K HN 1.265 nan 8.250 nan 0.000 0.470 424 G N -0.395 108.329 108.800 -0.126 0.000 2.205 424 G HA2 -0.383 3.577 3.960 0.000 0.000 0.269 424 G HA3 -0.383 3.577 3.960 0.000 0.000 0.269 424 G C 0.142 175.036 174.900 -0.009 0.000 0.977 424 G CA 0.917 46.001 45.100 -0.027 0.000 0.652 424 G HN 0.533 nan 8.290 nan 0.000 0.539 425 M N -0.214 119.326 119.600 -0.100 0.000 2.108 425 M HA 0.453 4.933 4.480 0.000 0.000 0.347 425 M C -1.214 174.857 176.300 -0.382 0.000 1.326 425 M CA -1.774 53.306 55.300 -0.367 0.000 1.126 425 M CB 1.447 33.841 32.600 -0.342 0.000 1.606 425 M HN -0.056 nan 8.290 nan 0.000 0.462 426 P HA -0.027 nan 4.420 nan 0.000 0.230 426 P C 1.047 178.158 177.300 -0.315 0.000 1.158 426 P CA 1.267 64.178 63.100 -0.315 0.000 0.769 426 P CB 0.014 31.545 31.700 -0.281 0.000 0.807 427 G N -0.547 107.989 108.800 -0.439 0.000 3.141 427 G HA2 0.286 4.246 3.960 0.000 0.000 0.218 427 G HA3 0.286 4.246 3.960 0.000 0.000 0.218 427 G C 0.695 175.555 174.900 -0.067 0.000 1.170 427 G CA 0.094 45.059 45.100 -0.226 0.000 0.769 427 G HN 0.424 nan 8.290 nan 0.000 0.546 428 G N -0.492 108.230 108.800 -0.130 0.000 2.509 428 G HA2 0.681 4.641 3.960 0.000 0.000 0.328 428 G HA3 0.681 4.641 3.960 0.000 0.000 0.328 428 G C -0.983 173.776 174.900 -0.234 0.000 1.194 428 G CA -0.975 44.075 45.100 -0.083 0.000 0.967 428 G HN 0.195 nan 8.290 nan 0.000 0.488 429 R N 0.171 120.495 120.500 -0.295 0.000 2.522 429 R HA 0.362 4.702 4.340 0.000 0.000 0.283 429 R C -1.188 175.072 176.300 -0.067 0.000 1.074 429 R CA -0.624 55.295 56.100 -0.302 0.000 0.925 429 R CB 1.697 31.545 30.300 -0.753 0.000 1.205 429 R HN 0.592 nan 8.270 nan 0.000 0.436 430 N N 2.203 120.906 118.700 0.004 0.000 2.357 430 N HA 0.361 5.101 4.740 0.000 0.000 0.284 430 N C -1.722 173.712 175.510 -0.125 0.000 1.236 430 N CA -0.804 52.190 53.050 -0.094 0.000 0.774 430 N CB 2.281 40.604 38.487 -0.273 0.000 1.534 430 N HN 0.230 nan 8.380 nan 0.000 0.478 431 L N 2.020 123.025 121.223 -0.363 0.000 2.264 431 L HA 0.462 4.802 4.340 0.000 0.000 0.289 431 L C -1.415 175.144 176.870 -0.518 0.000 1.044 431 L CA -0.070 54.578 54.840 -0.320 0.000 0.807 431 L CB -0.205 41.663 42.059 -0.318 0.000 1.192 431 L HN 0.397 nan 8.230 nan 0.000 0.425 432 Y N 3.864 123.807 120.300 -0.596 0.000 2.549 432 Y HA 0.586 5.136 4.550 0.000 0.000 0.339 432 Y C -0.188 175.335 175.900 -0.629 0.000 1.053 432 Y CA -0.779 56.918 58.100 -0.671 0.000 1.105 432 Y CB 1.584 39.481 38.460 -0.938 0.000 1.258 432 Y HN 0.466 nan 8.280 nan 0.000 0.478 433 K N 3.207 123.443 120.400 -0.274 0.000 2.507 433 K HA 0.544 4.864 4.320 0.000 0.000 0.252 433 K C -1.949 174.609 176.600 -0.071 0.000 0.943 433 K CA -0.489 55.578 56.287 -0.367 0.000 0.808 433 K CB 1.589 33.748 32.500 -0.568 0.000 1.142 433 K HN 0.851 nan 8.250 nan 0.000 0.426 434 I N 3.179 123.794 120.570 0.075 0.000 2.404 434 I HA 0.212 4.382 4.170 0.000 0.000 0.293 434 I C -0.549 175.712 176.117 0.240 0.000 0.992 434 I CA -0.676 60.749 61.300 0.210 0.000 1.149 434 I CB 1.779 39.906 38.000 0.212 0.000 1.315 434 I HN 0.751 nan 8.210 nan 0.000 0.446 435 Q N 5.738 125.677 119.800 0.232 0.000 2.307 435 Q HA 0.136 4.476 4.340 0.000 0.000 0.259 435 Q C 0.138 176.104 176.000 -0.057 0.000 0.998 435 Q CA -0.566 55.182 55.803 -0.092 0.000 0.923 435 Q CB 1.229 29.926 28.738 -0.068 0.000 1.196 435 Q HN 0.805 nan 8.270 nan 0.000 0.416 436 L N 3.036 124.167 121.223 -0.153 0.000 2.189 436 L HA -0.224 4.116 4.340 0.000 0.000 0.214 436 L C 2.151 178.932 176.870 -0.149 0.000 1.097 436 L CA 1.969 56.793 54.840 -0.027 0.000 0.764 436 L CB -0.614 41.389 42.059 -0.093 0.000 0.900 436 L HN 0.734 nan 8.230 nan 0.000 0.436 437 S N -2.992 112.578 115.700 -0.217 0.000 2.548 437 S HA 0.103 4.573 4.470 0.000 0.000 0.215 437 S C 0.444 174.883 174.600 -0.269 0.000 0.976 437 S CA 0.123 58.182 58.200 -0.235 0.000 0.908 437 S CB 0.083 63.177 63.200 -0.178 0.000 0.781 437 S HN 0.385 nan 8.310 nan 0.000 0.519 438 D N -0.037 120.214 120.400 -0.247 0.000 2.474 438 D HA 0.206 4.846 4.640 0.000 0.000 0.234 438 D C -0.396 175.880 176.300 -0.040 0.000 1.323 438 D CA -0.532 53.352 54.000 -0.194 0.000 0.915 438 D CB -0.289 40.452 40.800 -0.099 0.000 1.487 438 D HN -0.050 nan 8.370 nan 0.000 0.524 439 Y N 0.605 120.887 120.300 -0.031 0.000 2.639 439 Y HA -0.122 4.428 4.550 0.000 0.000 0.289 439 Y C 2.502 178.408 175.900 0.010 0.000 1.155 439 Y CA 1.491 59.584 58.100 -0.011 0.000 1.379 439 Y CB -1.268 37.180 38.460 -0.019 0.000 0.967 439 Y HN 0.416 nan 8.280 nan 0.000 0.569 440 T N -3.262 111.367 114.554 0.125 0.000 3.088 440 T HA 0.001 4.351 4.350 0.000 0.000 0.259 440 T C 0.671 175.424 174.700 0.088 0.000 1.122 440 T CA 0.190 62.343 62.100 0.087 0.000 1.095 440 T CB -0.003 68.890 68.868 0.042 0.000 0.930 440 T HN -0.119 nan 8.240 nan 0.000 0.508 441 K N 2.611 123.071 120.400 0.100 0.000 2.296 441 K HA 0.544 4.864 4.320 0.000 0.000 0.257 441 K C -1.094 175.595 176.600 0.148 0.000 1.088 441 K CA -0.384 55.967 56.287 0.107 0.000 0.980 441 K CB 1.225 33.784 32.500 0.099 0.000 1.430 441 K HN 0.181 nan 8.250 nan 0.000 0.441 442 V N 2.006 122.000 119.914 0.134 0.000 2.495 442 V HA 0.436 4.556 4.120 0.000 0.000 0.298 442 V C -0.000 176.160 176.094 0.110 0.000 1.031 442 V CA -0.713 61.682 62.300 0.157 0.000 0.871 442 V CB 2.043 33.986 31.823 0.200 0.000 0.988 442 V HN 0.554 nan 8.190 nan 0.000 0.432 443 T N 3.093 117.676 114.554 0.048 0.000 2.848 443 T HA 0.285 4.635 4.350 0.000 0.000 0.285 443 T C -0.552 174.056 174.700 -0.153 0.000 0.995 443 T CA -0.288 61.784 62.100 -0.047 0.000 0.970 443 T CB 1.437 70.233 68.868 -0.121 0.000 0.976 443 T HN 0.818 nan 8.240 nan 0.000 0.441 444 C N 5.166 124.297 119.300 -0.281 0.000 2.415 444 C HA 0.411 4.871 4.460 0.000 0.000 0.369 444 C C 1.170 175.842 174.990 -0.529 0.000 1.279 444 C CA -0.638 57.942 59.018 -0.731 0.000 1.886 444 C CB -1.266 25.913 27.740 -0.935 0.000 2.468 444 C HN 0.786 nan 8.230 nan 0.000 0.553 445 L N 5.308 126.202 121.223 -0.549 0.000 2.585 445 L HA 0.163 4.503 4.340 0.000 0.000 0.226 445 L C 2.075 178.646 176.870 -0.498 0.000 1.113 445 L CA 1.066 55.659 54.840 -0.412 0.000 0.876 445 L CB -0.841 41.029 42.059 -0.314 0.000 1.072 445 L HN 0.927 nan 8.230 nan 0.000 0.468 446 S N -3.910 111.392 115.700 -0.664 0.000 2.631 446 S HA -0.018 4.452 4.470 0.000 0.000 0.246 446 S C 1.960 176.180 174.600 -0.633 0.000 1.068 446 S CA 0.188 57.889 58.200 -0.831 0.000 0.995 446 S CB -0.354 61.976 63.200 -1.450 0.000 0.944 446 S HN 0.230 nan 8.310 nan 0.000 0.529 447 C N 2.361 121.256 119.300 -0.675 0.000 2.349 447 C HA -0.083 4.377 4.460 0.000 0.000 0.274 447 C C 2.492 177.173 174.990 -0.516 0.000 1.178 447 C CA 1.732 60.264 59.018 -0.810 0.000 1.769 447 C CB -1.160 25.927 27.740 -1.088 0.000 2.047 447 C HN 0.617 nan 8.230 nan 0.000 0.448 448 E N 0.095 120.085 120.200 -0.349 0.000 2.479 448 E HA 0.155 4.505 4.350 0.000 0.000 0.193 448 E C 1.838 178.374 176.600 -0.107 0.000 1.049 448 E CA -0.036 56.261 56.400 -0.172 0.000 0.870 448 E CB -0.308 29.320 29.700 -0.119 0.000 0.944 448 E HN 0.574 nan 8.360 nan 0.000 0.492 449 L N 0.267 121.418 121.223 -0.121 0.000 2.079 449 L HA -0.107 4.233 4.340 0.000 0.000 0.210 449 L C 0.943 177.814 176.870 0.002 0.000 1.081 449 L CA 0.946 55.758 54.840 -0.047 0.000 0.752 449 L CB 0.004 42.043 42.059 -0.035 0.000 0.896 449 L HN 0.141 nan 8.230 nan 0.000 0.433 450 N N -1.691 117.019 118.700 0.016 0.000 3.286 450 N HA 0.025 4.765 4.740 0.000 0.000 0.169 450 N C -2.119 173.403 175.510 0.020 0.000 1.375 450 N CA -0.578 52.481 53.050 0.016 0.000 1.093 450 N CB 0.442 38.939 38.487 0.017 0.000 1.659 450 N HN -0.189 nan 8.380 nan 0.000 0.629 451 P HA -0.180 nan 4.420 nan 0.000 0.219 451 P C 0.640 177.973 177.300 0.055 0.000 1.145 451 P CA 1.296 64.427 63.100 0.050 0.000 0.813 451 P CB 0.630 32.381 31.700 0.084 0.000 0.771 452 E N 0.022 120.239 120.200 0.027 0.000 2.030 452 E HA -0.088 4.262 4.350 0.000 0.000 0.189 452 E C 2.261 178.857 176.600 -0.007 0.000 0.974 452 E CA 0.859 57.268 56.400 0.015 0.000 0.807 452 E CB -0.679 29.024 29.700 0.004 0.000 0.771 452 E HN 0.328 nan 8.360 nan 0.000 0.451 453 R N -0.042 120.440 120.500 -0.029 0.000 2.210 453 R HA 0.084 4.424 4.340 0.000 0.000 0.203 453 R C -0.099 176.145 176.300 -0.093 0.000 1.010 453 R CA 0.431 56.490 56.100 -0.067 0.000 1.008 453 R CB 0.349 30.600 30.300 -0.082 0.000 0.923 453 R HN 0.049 nan 8.270 nan 0.000 0.469 454 c N 1.043 119.595 118.600 -0.081 0.000 2.316 454 c HA 0.419 4.989 4.570 0.000 0.000 0.324 454 c C 0.149 174.183 174.090 -0.093 0.000 1.226 454 c CA -0.688 55.534 56.329 -0.179 0.000 1.450 454 c CB 1.362 43.727 42.510 -0.240 0.000 2.123 454 c HN 0.524 nan 8.230 nan 0.000 0.454 455 Q N 0.380 120.121 119.800 -0.098 0.000 2.113 455 Q HA 0.170 4.510 4.340 0.000 0.000 0.225 455 Q C -0.894 175.125 176.000 0.032 0.000 0.786 455 Q CA 0.120 55.937 55.803 0.023 0.000 0.989 455 Q CB 1.362 30.145 28.738 0.074 0.000 1.174 455 Q HN 0.792 nan 8.270 nan 0.000 0.470 456 Y N 0.492 120.661 120.300 -0.217 0.000 2.349 456 Y HA 0.388 4.938 4.550 0.000 0.000 0.324 456 Y C -1.485 174.241 175.900 -0.291 0.000 1.005 456 Y CA -1.066 56.937 58.100 -0.161 0.000 1.240 456 Y CB 0.735 39.117 38.460 -0.131 0.000 1.117 456 Y HN -0.097 nan 8.280 nan 0.000 0.463 457 Y N 2.137 122.363 120.300 -0.123 0.000 2.528 457 Y HA 0.652 5.202 4.550 0.000 0.000 0.335 457 Y C 0.230 176.102 175.900 -0.046 0.000 1.093 457 Y CA -0.485 57.573 58.100 -0.070 0.000 1.134 457 Y CB 2.322 40.709 38.460 -0.122 0.000 1.253 457 Y HN 0.472 nan 8.280 nan 0.000 0.478 458 S N 0.723 116.547 115.700 0.206 0.000 2.667 458 S HA 0.878 5.348 4.470 0.000 0.000 0.292 458 S C -1.882 172.815 174.600 0.162 0.000 1.126 458 S CA -0.530 57.768 58.200 0.163 0.000 0.881 458 S CB 1.638 64.928 63.200 0.151 0.000 1.132 458 S HN 0.615 nan 8.310 nan 0.000 0.492 459 V N 1.211 121.223 119.914 0.164 0.000 3.147 459 V HA 0.847 4.967 4.120 0.000 0.000 0.299 459 V C -1.461 174.754 176.094 0.202 0.000 1.302 459 V CA -0.151 62.233 62.300 0.140 0.000 1.015 459 V CB 2.207 34.080 31.823 0.083 0.000 1.086 459 V HN 0.982 nan 8.190 nan 0.000 0.437 460 S N 4.477 120.285 115.700 0.179 0.000 2.737 460 S HA 0.681 5.151 4.470 0.000 0.000 0.269 460 S C -1.304 173.472 174.600 0.292 0.000 1.150 460 S CA -0.364 58.035 58.200 0.331 0.000 1.077 460 S CB 0.435 63.884 63.200 0.416 0.000 1.075 460 S HN 0.527 nan 8.310 nan 0.000 0.476 461 F N 2.962 122.951 119.950 0.065 0.000 2.371 461 F HA 0.497 5.024 4.527 0.000 0.000 0.329 461 F C 1.418 176.699 175.800 -0.866 0.000 1.107 461 F CA -0.327 57.522 58.000 -0.252 0.000 1.137 461 F CB 1.262 40.104 39.000 -0.264 0.000 1.214 461 F HN 0.611 nan 8.300 nan 0.000 0.536 462 S N 1.589 116.574 115.700 -1.192 0.000 2.624 462 S HA 0.170 4.640 4.470 0.000 0.000 0.263 462 S C 1.252 175.581 174.600 -0.452 0.000 1.287 462 S CA -0.826 56.461 58.200 -1.521 0.000 0.990 462 S CB 0.902 63.348 63.200 -1.258 0.000 0.950 462 S HN 0.610 nan 8.310 nan 0.000 0.561 463 K N 0.777 121.077 120.400 -0.166 0.000 2.108 463 K HA -0.199 4.121 4.320 0.000 0.000 0.219 463 K C 1.079 177.671 176.600 -0.013 0.000 1.054 463 K CA 2.077 58.366 56.287 0.003 0.000 0.945 463 K CB -0.368 32.188 32.500 0.093 0.000 0.728 463 K HN 0.702 nan 8.250 nan 0.000 0.462 464 E N -1.434 118.736 120.200 -0.049 0.000 2.501 464 E HA 0.182 4.532 4.350 0.000 0.000 0.200 464 E C 0.049 176.610 176.600 -0.065 0.000 1.016 464 E CA 0.379 56.761 56.400 -0.031 0.000 0.921 464 E CB 0.797 30.491 29.700 -0.010 0.000 1.034 464 E HN 0.305 nan 8.360 nan 0.000 0.468 465 A N 1.490 124.250 122.820 -0.100 0.000 2.914 465 A HA -0.277 4.043 4.320 0.000 0.000 0.280 465 A C 1.323 178.876 177.584 -0.053 0.000 1.447 465 A CA 1.465 53.470 52.037 -0.054 0.000 0.759 465 A CB -2.224 16.651 19.000 -0.207 0.000 1.034 465 A HN 0.243 nan 8.150 nan 0.000 0.529 466 K N -1.631 118.679 120.400 -0.151 0.000 2.262 466 K HA 0.280 4.600 4.320 0.000 0.000 0.200 466 K C 0.086 176.370 176.600 -0.526 0.000 1.049 466 K CA 1.114 57.216 56.287 -0.309 0.000 0.979 466 K CB 0.141 32.426 32.500 -0.357 0.000 0.773 466 K HN 0.667 nan 8.250 nan 0.000 0.474 467 Y N -0.806 119.412 120.300 -0.137 0.000 2.581 467 Y HA 0.334 4.884 4.550 0.000 0.000 0.345 467 Y C -1.100 174.687 175.900 -0.189 0.000 1.036 467 Y CA -1.302 56.727 58.100 -0.118 0.000 1.042 467 Y CB 1.792 40.225 38.460 -0.044 0.000 1.289 467 Y HN -0.029 nan 8.280 nan 0.000 0.471 468 Y N -0.976 119.256 120.300 -0.112 0.000 2.552 468 Y HA 0.529 5.079 4.550 0.000 0.000 0.337 468 Y C -1.372 174.516 175.900 -0.020 0.000 1.094 468 Y CA -1.506 56.372 58.100 -0.369 0.000 1.028 468 Y CB 1.516 39.106 38.460 -1.451 0.000 1.321 468 Y HN 0.595 nan 8.280 nan 0.000 0.456 469 Q N 3.581 123.473 119.800 0.154 0.000 2.307 469 Q HA 0.583 4.923 4.340 0.000 0.000 0.262 469 Q C -1.804 174.261 176.000 0.108 0.000 0.961 469 Q CA -0.724 55.140 55.803 0.101 0.000 0.882 469 Q CB 1.406 30.197 28.738 0.087 0.000 1.264 469 Q HN 0.966 nan 8.270 nan 0.000 0.446 470 L N 4.147 125.435 121.223 0.109 0.000 2.307 470 L HA 0.516 4.856 4.340 0.000 0.000 0.282 470 L C -0.067 176.864 176.870 0.102 0.000 1.051 470 L CA -0.516 54.395 54.840 0.118 0.000 0.804 470 L CB 1.221 43.319 42.059 0.066 0.000 1.197 470 L HN 0.573 nan 8.230 nan 0.000 0.431 471 R N 2.452 123.010 120.500 0.096 0.000 2.352 471 R HA 0.272 4.612 4.340 0.000 0.000 0.304 471 R C -0.996 175.183 176.300 -0.202 0.000 1.104 471 R CA -0.539 55.460 56.100 -0.169 0.000 0.991 471 R CB 1.306 31.550 30.300 -0.093 0.000 1.140 471 R HN 0.580 nan 8.270 nan 0.000 0.540 472 c N 2.857 121.222 118.600 -0.391 0.000 2.482 472 c HA 0.271 4.841 4.570 0.000 0.000 0.378 472 c C 1.559 175.422 174.090 -0.377 0.000 1.284 472 c CA -0.193 55.769 56.329 -0.613 0.000 1.826 472 c CB -0.173 41.984 42.510 -0.587 0.000 2.473 472 c HN 0.938 nan 8.230 nan 0.000 0.562 473 S N 3.822 119.376 115.700 -0.242 0.000 2.650 473 S HA 0.602 5.072 4.470 0.000 0.000 0.240 473 S C 0.352 174.904 174.600 -0.080 0.000 1.007 473 S CA 0.226 58.349 58.200 -0.130 0.000 0.984 473 S CB 0.065 63.212 63.200 -0.088 0.000 0.910 473 S HN 1.861 nan 8.310 nan 0.000 0.509 474 G N 1.787 110.525 108.800 -0.104 0.000 2.316 474 G HA2 0.392 4.352 3.960 0.000 0.000 0.296 474 G HA3 0.392 4.352 3.960 0.000 0.000 0.296 474 G C -3.057 171.813 174.900 -0.051 0.000 1.399 474 G CA -0.537 44.542 45.100 -0.034 0.000 0.833 474 G HN -0.131 nan 8.290 nan 0.000 0.565 475 P HA 0.137 nan 4.420 nan 0.000 0.236 475 P C 1.212 178.514 177.300 0.004 0.000 1.177 475 P CA 1.228 64.347 63.100 0.031 0.000 0.773 475 P CB 0.475 32.195 31.700 0.032 0.000 0.878 476 G N 0.337 109.074 108.800 -0.105 0.000 2.531 476 G HA2 0.444 4.404 3.960 0.000 0.000 0.281 476 G HA3 0.444 4.404 3.960 0.000 0.000 0.281 476 G C -0.287 174.362 174.900 -0.419 0.000 1.382 476 G CA -0.774 44.179 45.100 -0.245 0.000 1.045 476 G HN 0.016 nan 8.290 nan 0.000 0.533 477 L N 1.140 122.053 121.223 -0.517 0.000 2.456 477 L HA 0.176 4.516 4.340 0.000 0.000 0.272 477 L C -1.904 174.829 176.870 -0.230 0.000 1.189 477 L CA -1.317 53.223 54.840 -0.500 0.000 0.846 477 L CB 0.577 42.404 42.059 -0.386 0.000 1.111 477 L HN 0.234 nan 8.230 nan 0.000 0.475 478 P HA -0.051 nan 4.420 nan 0.000 0.264 478 P C -0.853 176.395 177.300 -0.085 0.000 1.173 478 P CA 0.183 63.222 63.100 -0.101 0.000 0.761 478 P CB 0.401 32.126 31.700 0.041 0.000 0.794 479 L N 5.155 126.259 121.223 -0.199 0.000 2.446 479 L HA 0.413 4.753 4.340 0.000 0.000 0.268 479 L C -1.701 175.067 176.870 -0.170 0.000 0.975 479 L CA -0.666 54.115 54.840 -0.097 0.000 0.848 479 L CB 0.680 42.688 42.059 -0.084 0.000 1.225 479 L HN 0.207 nan 8.230 nan 0.000 0.410 480 Y N 2.779 123.044 120.300 -0.058 0.000 2.326 480 Y HA 0.704 5.254 4.550 0.000 0.000 0.337 480 Y C 0.760 176.562 175.900 -0.164 0.000 1.023 480 Y CA -0.426 57.618 58.100 -0.094 0.000 1.143 480 Y CB 1.722 40.090 38.460 -0.153 0.000 1.183 480 Y HN 0.644 nan 8.280 nan 0.000 0.485 481 T N 1.161 115.722 114.554 0.011 0.000 2.906 481 T HA 0.695 5.045 4.350 0.000 0.000 0.295 481 T C -1.386 173.222 174.700 -0.154 0.000 1.061 481 T CA -0.902 61.142 62.100 -0.093 0.000 1.000 481 T CB 1.933 70.809 68.868 0.013 0.000 1.103 481 T HN 0.384 nan 8.240 nan 0.000 0.486 482 L N 1.843 122.846 121.223 -0.367 0.000 2.334 482 L HA 0.645 4.985 4.340 0.000 0.000 0.276 482 L C -0.639 175.841 176.870 -0.649 0.000 1.014 482 L CA -0.297 54.350 54.840 -0.322 0.000 0.815 482 L CB 1.224 43.146 42.059 -0.228 0.000 1.268 482 L HN 0.841 nan 8.230 nan 0.000 0.428 483 H N 1.018 119.823 119.070 -0.442 0.000 2.946 483 H HA 0.580 5.136 4.556 0.000 0.000 0.365 483 H C -1.050 174.068 175.328 -0.349 0.000 1.197 483 H CA -0.839 54.877 56.048 -0.552 0.000 1.131 483 H CB 2.076 31.156 29.762 -1.136 0.000 1.849 483 H HN 0.564 nan 8.280 nan 0.000 0.555 484 S N 0.018 115.668 115.700 -0.083 0.000 2.454 484 S HA 0.214 4.684 4.470 0.000 0.000 0.306 484 S C 0.601 175.194 174.600 -0.011 0.000 1.100 484 S CA -0.735 57.390 58.200 -0.125 0.000 1.087 484 S CB 1.823 64.957 63.200 -0.109 0.000 1.019 484 S HN 0.559 nan 8.310 nan 0.000 0.480 485 S N 2.110 117.811 115.700 0.001 0.000 2.442 485 S HA -0.096 4.374 4.470 0.000 0.000 0.236 485 S C 1.899 176.542 174.600 0.072 0.000 1.007 485 S CA 1.062 59.350 58.200 0.146 0.000 0.965 485 S CB -0.625 62.629 63.200 0.090 0.000 0.773 485 S HN 0.659 nan 8.310 nan 0.000 0.504 486 V N 2.859 122.765 119.914 -0.012 0.000 2.219 486 V HA -0.217 3.903 4.120 0.000 0.000 0.248 486 V C 1.628 177.733 176.094 0.019 0.000 1.053 486 V CA 1.830 64.132 62.300 0.004 0.000 1.009 486 V CB -0.539 31.270 31.823 -0.023 0.000 0.636 486 V HN 0.522 nan 8.190 nan 0.000 0.445 487 N N -1.928 116.781 118.700 0.016 0.000 2.171 487 N HA 0.079 4.819 4.740 0.000 0.000 0.212 487 N C -0.009 175.514 175.510 0.022 0.000 1.184 487 N CA 0.501 53.557 53.050 0.010 0.000 0.888 487 N CB 0.630 39.121 38.487 0.007 0.000 1.038 487 N HN 0.482 nan 8.380 nan 0.000 0.517 488 D N 0.812 121.252 120.400 0.068 0.000 3.068 488 D HA -0.160 4.480 4.640 0.000 0.000 0.218 488 D C 0.025 176.388 176.300 0.106 0.000 1.145 488 D CA 0.848 54.928 54.000 0.134 0.000 0.896 488 D CB -1.071 39.780 40.800 0.085 0.000 1.105 488 D HN 0.410 nan 8.370 nan 0.000 0.423 489 K N 1.113 121.545 120.400 0.054 0.000 2.368 489 K HA 0.376 4.696 4.320 0.000 0.000 0.282 489 K C 0.616 177.212 176.600 -0.007 0.000 1.035 489 K CA 0.161 56.462 56.287 0.024 0.000 0.973 489 K CB 0.915 33.414 32.500 -0.001 0.000 0.957 489 K HN 0.017 nan 8.250 nan 0.000 0.474 490 G N 4.536 113.314 108.800 -0.037 0.000 2.334 490 G HA2 0.136 4.096 3.960 0.000 0.000 0.261 490 G HA3 0.136 4.096 3.960 0.000 0.000 0.261 490 G C 0.486 175.235 174.900 -0.250 0.000 1.257 490 G CA -0.617 44.321 45.100 -0.269 0.000 0.935 490 G HN 0.729 nan 8.290 nan 0.000 0.480 491 L N 1.969 122.990 121.223 -0.336 0.000 2.102 491 L HA 0.243 4.583 4.340 0.000 0.000 0.202 491 L C 1.585 178.351 176.870 -0.173 0.000 1.076 491 L CA 1.010 55.736 54.840 -0.190 0.000 0.761 491 L CB -0.300 41.669 42.059 -0.148 0.000 0.921 491 L HN 0.787 nan 8.230 nan 0.000 0.444 492 R N -2.415 117.941 120.500 -0.239 0.000 2.828 492 R HA 0.353 4.693 4.340 0.000 0.000 0.280 492 R C -1.608 174.564 176.300 -0.213 0.000 1.020 492 R CA -0.935 55.057 56.100 -0.180 0.000 0.855 492 R CB 1.130 31.355 30.300 -0.125 0.000 1.278 492 R HN -0.301 nan 8.270 nan 0.000 0.495 493 V N 2.858 122.676 119.914 -0.160 0.000 2.408 493 V HA 0.175 4.295 4.120 0.000 0.000 0.267 493 V C 1.265 177.237 176.094 -0.203 0.000 1.047 493 V CA -0.376 61.832 62.300 -0.152 0.000 0.937 493 V CB 1.014 32.782 31.823 -0.092 0.000 0.999 493 V HN 0.624 nan 8.190 nan 0.000 0.472 494 L N 2.764 123.799 121.223 -0.313 0.000 2.270 494 L HA 0.255 4.595 4.340 0.000 0.000 0.210 494 L C 0.720 177.352 176.870 -0.398 0.000 1.104 494 L CA 0.734 55.228 54.840 -0.576 0.000 0.804 494 L CB 0.173 41.541 42.059 -1.152 0.000 0.937 494 L HN 0.672 nan 8.230 nan 0.000 0.450 495 E N -0.178 119.924 120.200 -0.163 0.000 2.406 495 E HA 0.090 4.440 4.350 0.000 0.000 0.297 495 E C -1.251 175.401 176.600 0.087 0.000 0.917 495 E CA -0.373 56.029 56.400 0.002 0.000 0.795 495 E CB 1.033 30.748 29.700 0.025 0.000 1.285 495 E HN 0.161 nan 8.360 nan 0.000 0.400 496 D N 2.717 123.145 120.400 0.048 0.000 2.469 496 D HA 0.179 4.819 4.640 0.000 0.000 0.213 496 D C -0.275 176.039 176.300 0.024 0.000 1.135 496 D CA -0.233 53.785 54.000 0.030 0.000 0.834 496 D CB 0.019 40.816 40.800 -0.004 0.000 1.009 496 D HN 0.437 nan 8.370 nan 0.000 0.507 497 N N 0.507 119.237 118.700 0.050 0.000 2.721 497 N HA -0.234 4.506 4.740 0.000 0.000 0.249 497 N C 1.016 176.534 175.510 0.013 0.000 1.072 497 N CA 0.911 53.985 53.050 0.040 0.000 0.710 497 N CB -1.211 37.294 38.487 0.030 0.000 0.993 497 N HN 0.505 nan 8.380 nan 0.000 0.547 498 S N -0.626 115.081 115.700 0.013 0.000 2.359 498 S HA -0.133 4.337 4.470 0.000 0.000 0.224 498 S C 2.149 176.758 174.600 0.016 0.000 1.035 498 S CA 1.196 59.399 58.200 0.005 0.000 1.018 498 S CB -0.347 62.856 63.200 0.006 0.000 0.876 498 S HN 0.531 nan 8.310 nan 0.000 0.448 499 A N 2.477 125.316 122.820 0.032 0.000 1.859 499 A HA -0.083 4.237 4.320 0.000 0.000 0.217 499 A C 2.306 179.925 177.584 0.059 0.000 1.198 499 A CA 1.953 54.017 52.037 0.047 0.000 0.629 499 A CB -1.201 17.833 19.000 0.056 0.000 0.830 499 A HN 0.585 nan 8.150 nan 0.000 0.446 500 L N 0.408 121.670 121.223 0.065 0.000 2.042 500 L HA -0.205 4.135 4.340 0.000 0.000 0.210 500 L C 2.037 178.925 176.870 0.030 0.000 1.076 500 L CA 2.786 57.675 54.840 0.082 0.000 0.749 500 L CB -0.734 41.376 42.059 0.086 0.000 0.893 500 L HN 0.569 nan 8.230 nan 0.000 0.432 501 D N -0.677 119.719 120.400 -0.008 0.000 2.149 501 D HA -0.244 4.396 4.640 0.000 0.000 0.198 501 D C 1.957 178.247 176.300 -0.017 0.000 0.990 501 D CA 0.916 54.892 54.000 -0.040 0.000 0.839 501 D CB 0.163 40.933 40.800 -0.050 0.000 0.948 501 D HN 0.261 nan 8.370 nan 0.000 0.460 502 K N 0.235 120.641 120.400 0.010 0.000 2.097 502 K HA -0.040 4.280 4.320 0.000 0.000 0.205 502 K C 2.286 178.909 176.600 0.038 0.000 1.050 502 K CA 0.510 56.810 56.287 0.022 0.000 0.938 502 K CB -0.190 32.330 32.500 0.032 0.000 0.718 502 K HN 0.312 nan 8.250 nan 0.000 0.442 503 M N 0.156 119.794 119.600 0.064 0.000 2.156 503 M HA -0.083 4.397 4.480 0.000 0.000 0.264 503 M C 2.119 178.418 176.300 -0.000 0.000 1.067 503 M CA 1.214 56.579 55.300 0.109 0.000 1.131 503 M CB -0.242 32.512 32.600 0.257 0.000 1.368 503 M HN -0.021 nan 8.290 nan 0.000 0.416 504 L N 0.620 121.790 121.223 -0.087 0.000 2.362 504 L HA -0.184 4.157 4.340 0.000 0.000 0.219 504 L C 2.516 179.332 176.870 -0.089 0.000 1.134 504 L CA 0.854 55.590 54.840 -0.173 0.000 0.807 504 L CB -0.671 41.298 42.059 -0.151 0.000 0.927 504 L HN 0.482 nan 8.230 nan 0.000 0.447 505 Q N -0.923 118.852 119.800 -0.041 0.000 2.451 505 Q HA -0.118 4.222 4.340 0.000 0.000 0.206 505 Q C 1.520 177.521 176.000 0.002 0.000 0.947 505 Q CA 0.722 56.513 55.803 -0.019 0.000 0.937 505 Q CB -0.286 28.446 28.738 -0.010 0.000 1.025 505 Q HN 0.411 nan 8.270 nan 0.000 0.511 506 N N 1.034 119.740 118.700 0.009 0.000 2.299 506 N HA 0.014 4.754 4.740 0.000 0.000 0.187 506 N C -0.471 175.065 175.510 0.044 0.000 1.099 506 N CA 0.132 53.205 53.050 0.039 0.000 0.867 506 N CB 1.099 39.626 38.487 0.067 0.000 0.974 506 N HN 0.191 nan 8.380 nan 0.000 0.477 507 V N 0.979 120.897 119.914 0.007 0.000 2.769 507 V HA 0.327 4.447 4.120 0.000 0.000 0.312 507 V C -0.640 175.456 176.094 0.003 0.000 1.061 507 V CA -0.723 61.589 62.300 0.021 0.000 0.931 507 V CB 1.961 33.783 31.823 -0.002 0.000 1.010 507 V HN 0.022 nan 8.190 nan 0.000 0.433 508 Q N 4.701 124.517 119.800 0.026 0.000 2.613 508 Q HA 0.206 4.546 4.340 0.000 0.000 0.228 508 Q C -0.441 175.531 176.000 -0.048 0.000 1.318 508 Q CA -0.153 55.637 55.803 -0.022 0.000 0.907 508 Q CB 0.325 29.055 28.738 -0.012 0.000 1.593 508 Q HN 0.673 nan 8.270 nan 0.000 0.559 509 M N 4.141 123.700 119.600 -0.069 0.000 2.233 509 M HA 0.203 4.683 4.480 0.000 0.000 0.350 509 M C -2.039 174.191 176.300 -0.116 0.000 1.176 509 M CA -2.027 53.220 55.300 -0.089 0.000 1.150 509 M CB 0.520 33.070 32.600 -0.083 0.000 1.530 509 M HN 0.271 nan 8.290 nan 0.000 0.459 510 P HA 0.287 nan 4.420 nan 0.000 0.276 510 P C -1.323 175.896 177.300 -0.135 0.000 1.261 510 P CA -0.492 62.516 63.100 -0.153 0.000 0.800 510 P CB 0.727 32.323 31.700 -0.174 0.000 1.066 511 S N -0.717 114.889 115.700 -0.157 0.000 2.704 511 S HA 0.628 5.098 4.470 0.000 0.000 0.305 511 S C -0.609 173.897 174.600 -0.157 0.000 1.107 511 S CA -0.750 57.374 58.200 -0.128 0.000 0.993 511 S CB 1.781 64.910 63.200 -0.118 0.000 1.110 511 S HN 0.535 nan 8.310 nan 0.000 0.534 512 K N 0.685 121.017 120.400 -0.113 0.000 2.541 512 K HA 0.359 4.679 4.320 0.000 0.000 0.250 512 K C -1.412 175.138 176.600 -0.082 0.000 0.950 512 K CA -0.496 55.726 56.287 -0.108 0.000 0.805 512 K CB 1.424 33.883 32.500 -0.068 0.000 1.166 512 K HN 0.713 nan 8.250 nan 0.000 0.430 513 K N 5.790 126.130 120.400 -0.099 0.000 2.185 513 K HA 0.313 4.633 4.320 0.000 0.000 0.269 513 K C -1.294 175.284 176.600 -0.036 0.000 0.987 513 K CA -0.615 55.637 56.287 -0.057 0.000 0.865 513 K CB 1.003 33.467 32.500 -0.060 0.000 1.090 513 K HN 0.633 nan 8.250 nan 0.000 0.450 514 L N 4.777 125.990 121.223 -0.017 0.000 2.366 514 L HA 0.314 4.654 4.340 0.000 0.000 0.266 514 L C -1.217 175.671 176.870 0.031 0.000 1.010 514 L CA -0.226 54.618 54.840 0.007 0.000 0.879 514 L CB 0.993 43.102 42.059 0.082 0.000 1.228 514 L HN 0.825 nan 8.230 nan 0.000 0.439 515 D N 2.474 122.698 120.400 -0.294 0.000 2.904 515 D HA 0.595 5.235 4.640 0.000 0.000 0.290 515 D C -1.164 174.810 176.300 -0.544 0.000 1.180 515 D CA -0.067 53.732 54.000 -0.334 0.000 1.065 515 D CB 1.705 42.291 40.800 -0.356 0.000 1.386 515 D HN 0.193 nan 8.370 nan 0.000 0.599 516 F N -0.578 119.076 119.950 -0.494 0.000 2.675 516 F HA 0.768 5.295 4.527 0.000 0.000 0.324 516 F C -1.517 174.393 175.800 0.183 0.000 1.106 516 F CA -1.192 56.610 58.000 -0.331 0.000 0.970 516 F CB 0.890 39.218 39.000 -1.121 0.000 1.385 516 F HN 0.167 nan 8.300 nan 0.000 0.489 517 I N 2.249 123.128 120.570 0.516 0.000 2.619 517 I HA 0.501 4.671 4.170 0.000 0.000 0.292 517 I C -1.664 174.713 176.117 0.434 0.000 1.100 517 I CA -1.426 60.107 61.300 0.389 0.000 1.043 517 I CB 1.891 40.089 38.000 0.330 0.000 1.239 517 I HN 0.746 nan 8.210 nan 0.000 0.420 518 I N 8.466 129.228 120.570 0.321 0.000 2.325 518 I HA 0.409 4.579 4.170 0.000 0.000 0.291 518 I C -1.646 174.609 176.117 0.229 0.000 1.019 518 I CA -0.412 61.056 61.300 0.280 0.000 1.302 518 I CB 0.335 38.459 38.000 0.208 0.000 1.401 518 I HN 0.488 nan 8.210 nan 0.000 0.485 519 L N 7.032 128.436 121.223 0.302 0.000 2.386 519 L HA 0.423 4.763 4.340 0.000 0.000 0.271 519 L C 0.635 177.626 176.870 0.203 0.000 0.993 519 L CA -0.864 54.093 54.840 0.196 0.000 0.819 519 L CB 1.543 43.669 42.059 0.113 0.000 1.294 519 L HN 0.633 nan 8.230 nan 0.000 0.414 520 N N 2.121 120.886 118.700 0.108 0.000 2.699 520 N HA -0.228 4.512 4.740 0.000 0.000 0.256 520 N C -0.242 175.328 175.510 0.100 0.000 0.993 520 N CA 0.686 53.788 53.050 0.087 0.000 0.759 520 N CB -0.516 38.015 38.487 0.073 0.000 0.906 520 N HN 0.699 nan 8.380 nan 0.000 0.541 521 E N -0.631 119.623 120.200 0.089 0.000 2.297 521 E HA -0.238 4.112 4.350 0.000 0.000 0.228 521 E C -1.007 175.630 176.600 0.062 0.000 1.213 521 E CA 1.746 58.186 56.400 0.066 0.000 0.712 521 E CB -1.141 28.583 29.700 0.041 0.000 1.202 521 E HN 0.518 nan 8.360 nan 0.000 0.376 522 T N -0.673 113.939 114.554 0.095 0.000 3.393 522 T HA 0.410 4.760 4.350 0.000 0.000 0.359 522 T C -1.186 173.519 174.700 0.008 0.000 1.380 522 T CA -0.392 61.714 62.100 0.010 0.000 1.132 522 T CB 0.544 69.406 68.868 -0.010 0.000 1.284 522 T HN 0.389 nan 8.240 nan 0.000 0.477 523 K N 3.332 123.629 120.400 -0.171 0.000 2.205 523 K HA 0.683 5.003 4.320 0.000 0.000 0.279 523 K C -1.323 175.073 176.600 -0.339 0.000 1.027 523 K CA -0.550 55.638 56.287 -0.166 0.000 0.932 523 K CB 0.649 32.852 32.500 -0.495 0.000 1.032 523 K HN 0.313 nan 8.250 nan 0.000 0.466 524 F N 2.099 122.081 119.950 0.054 0.000 2.493 524 F HA 0.349 4.876 4.527 0.000 0.000 0.329 524 F C -0.816 175.020 175.800 0.061 0.000 1.126 524 F CA -0.701 57.328 58.000 0.050 0.000 0.937 524 F CB 1.014 40.034 39.000 0.034 0.000 1.146 524 F HN 0.523 nan 8.300 nan 0.000 0.442 525 W N 3.848 125.224 121.300 0.126 0.000 2.261 525 W HA 0.463 5.123 4.660 0.000 0.000 0.323 525 W C -0.379 176.234 176.519 0.155 0.000 1.243 525 W CA -0.656 56.788 57.345 0.165 0.000 1.210 525 W CB 0.256 29.766 29.460 0.083 0.000 1.149 525 W HN 0.467 nan 8.180 nan 0.000 0.562 526 Y N -0.351 120.256 120.300 0.511 0.000 2.633 526 Y HA 0.711 5.262 4.550 0.000 0.000 0.339 526 Y C -0.806 175.342 175.900 0.414 0.000 1.045 526 Y CA -1.915 56.522 58.100 0.560 0.000 1.098 526 Y CB 1.356 40.354 38.460 0.897 0.000 1.296 526 Y HN 0.488 nan 8.280 nan 0.000 0.494 527 Q N 1.999 122.107 119.800 0.513 0.000 2.359 527 Q HA 0.662 5.002 4.340 0.000 0.000 0.274 527 Q C -2.067 174.069 176.000 0.226 0.000 1.074 527 Q CA -1.076 54.879 55.803 0.253 0.000 0.810 527 Q CB 2.431 31.277 28.738 0.180 0.000 1.342 527 Q HN 0.978 nan 8.270 nan 0.000 0.427 528 M N 3.903 123.550 119.600 0.078 0.000 2.183 528 M HA 0.370 4.850 4.480 0.000 0.000 0.277 528 M C -1.575 174.630 176.300 -0.159 0.000 0.995 528 M CA -0.530 54.727 55.300 -0.071 0.000 0.969 528 M CB 1.734 34.252 32.600 -0.138 0.000 1.659 528 M HN 0.607 nan 8.290 nan 0.000 0.462 529 I N 5.389 125.860 120.570 -0.164 0.000 2.256 529 I HA 0.232 4.402 4.170 0.000 0.000 0.294 529 I C -0.562 175.381 176.117 -0.289 0.000 1.127 529 I CA 0.174 61.356 61.300 -0.196 0.000 1.247 529 I CB -0.020 37.887 38.000 -0.154 0.000 1.460 529 I HN 0.518 nan 8.210 nan 0.000 0.511 530 L N 8.308 129.299 121.223 -0.386 0.000 2.331 530 L HA 0.364 4.704 4.340 0.000 0.000 0.278 530 L C -2.020 174.632 176.870 -0.363 0.000 1.106 530 L CA -1.710 52.797 54.840 -0.555 0.000 0.824 530 L CB 0.179 41.718 42.059 -0.866 0.000 1.142 530 L HN 0.274 nan 8.230 nan 0.000 0.443 531 P HA 0.081 nan 4.420 nan 0.000 0.270 531 P C -2.466 174.758 177.300 -0.126 0.000 1.223 531 P CA -0.913 62.082 63.100 -0.174 0.000 0.785 531 P CB -0.076 31.561 31.700 -0.105 0.000 0.923 532 P HA -0.043 nan 4.420 nan 0.000 0.266 532 P C -0.485 176.683 177.300 -0.221 0.000 1.195 532 P CA 0.857 63.772 63.100 -0.308 0.000 0.768 532 P CB -0.211 31.249 31.700 -0.399 0.000 0.838 533 H N -0.263 118.842 119.070 0.058 0.000 2.756 533 H HA -0.205 4.352 4.556 0.000 0.000 0.315 533 H C -0.052 175.341 175.328 0.108 0.000 1.210 533 H CA -0.120 55.969 56.048 0.068 0.000 1.150 533 H CB -2.350 27.443 29.762 0.052 0.000 1.463 533 H HN 0.380 nan 8.280 nan 0.000 0.427 534 F N 2.476 122.420 119.950 -0.011 0.000 2.571 534 F HA 0.057 4.584 4.527 0.000 0.000 0.390 534 F C 0.707 176.523 175.800 0.028 0.000 1.043 534 F CA -0.084 57.860 58.000 -0.095 0.000 1.164 534 F CB 0.396 39.233 39.000 -0.272 0.000 1.049 534 F HN 0.227 nan 8.300 nan 0.000 0.552 535 D N 6.479 126.671 120.400 -0.347 0.000 2.443 535 D HA 0.056 4.696 4.640 0.000 0.000 0.221 535 D C 0.886 176.867 176.300 -0.533 0.000 1.097 535 D CA -0.289 53.533 54.000 -0.295 0.000 0.865 535 D CB 1.056 41.806 40.800 -0.083 0.000 1.034 535 D HN 0.723 nan 8.370 nan 0.000 0.511 536 K N 1.569 121.625 120.400 -0.573 0.000 2.520 536 K HA -0.068 4.252 4.320 0.000 0.000 0.197 536 K C 1.111 177.693 176.600 -0.030 0.000 1.043 536 K CA 0.833 56.930 56.287 -0.318 0.000 0.944 536 K CB 0.352 32.834 32.500 -0.031 0.000 0.770 536 K HN 0.130 nan 8.250 nan 0.000 0.480 537 S N 0.087 115.740 115.700 -0.077 0.000 2.439 537 S HA 0.025 4.495 4.470 0.000 0.000 0.224 537 S C 0.672 175.238 174.600 -0.056 0.000 1.029 537 S CA 0.156 58.332 58.200 -0.040 0.000 0.946 537 S CB 0.133 63.301 63.200 -0.052 0.000 0.797 537 S HN 0.187 nan 8.310 nan 0.000 0.504 538 K N 2.298 122.630 120.400 -0.114 0.000 2.138 538 K HA 0.163 4.483 4.320 0.000 0.000 0.251 538 K C -0.629 175.864 176.600 -0.177 0.000 1.015 538 K CA 0.055 56.205 56.287 -0.228 0.000 0.917 538 K CB 0.441 32.671 32.500 -0.449 0.000 1.021 538 K HN -0.049 nan 8.250 nan 0.000 0.485 539 K N 3.503 123.766 120.400 -0.230 0.000 2.316 539 K HA 0.213 4.533 4.320 0.000 0.000 0.267 539 K C -0.634 175.860 176.600 -0.177 0.000 1.025 539 K CA -0.420 55.819 56.287 -0.080 0.000 0.896 539 K CB 0.518 32.978 32.500 -0.065 0.000 1.124 539 K HN 0.395 nan 8.250 nan 0.000 0.451 540 Y N 2.944 123.267 120.300 0.039 0.000 2.354 540 Y HA 0.284 4.834 4.550 0.000 0.000 0.322 540 Y C -1.702 174.132 175.900 -0.111 0.000 1.253 540 Y CA -2.108 55.982 58.100 -0.018 0.000 1.272 540 Y CB 0.778 39.273 38.460 0.057 0.000 1.255 540 Y HN 0.421 nan 8.280 nan 0.000 0.500 541 P HA 0.225 nan 4.420 nan 0.000 0.282 541 P C -1.405 175.701 177.300 -0.323 0.000 1.249 541 P CA -0.314 62.486 63.100 -0.500 0.000 0.806 541 P CB 1.931 32.995 31.700 -1.061 0.000 0.984 542 L N 3.472 124.566 121.223 -0.215 0.000 2.362 542 L HA 0.519 4.859 4.340 0.000 0.000 0.275 542 L C -1.281 175.764 176.870 0.291 0.000 0.998 542 L CA -0.866 54.005 54.840 0.051 0.000 0.820 542 L CB 1.577 43.694 42.059 0.097 0.000 1.270 542 L HN 0.277 nan 8.230 nan 0.000 0.415 543 L N 5.825 127.236 121.223 0.314 0.000 2.298 543 L HA 0.447 4.787 4.340 0.000 0.000 0.284 543 L C -1.228 175.882 176.870 0.400 0.000 1.013 543 L CA -0.932 54.161 54.840 0.423 0.000 0.824 543 L CB 1.569 43.821 42.059 0.323 0.000 1.221 543 L HN 0.696 nan 8.230 nan 0.000 0.418 544 L N 5.284 126.798 121.223 0.485 0.000 2.295 544 L HA 0.273 4.613 4.340 0.000 0.000 0.288 544 L C -0.075 177.052 176.870 0.427 0.000 1.079 544 L CA 0.183 55.300 54.840 0.462 0.000 0.830 544 L CB 0.527 42.915 42.059 0.548 0.000 1.200 544 L HN 0.479 nan 8.230 nan 0.000 0.438 545 D N 4.189 124.821 120.400 0.386 0.000 2.336 545 D HA 0.192 4.832 4.640 0.000 0.000 0.249 545 D C -0.898 175.505 176.300 0.171 0.000 1.213 545 D CA 0.249 54.414 54.000 0.274 0.000 0.870 545 D CB 1.110 42.114 40.800 0.339 0.000 1.076 545 D HN 0.337 nan 8.370 nan 0.000 0.483 546 V N 5.391 125.327 119.914 0.036 0.000 2.823 546 V HA 0.428 4.548 4.120 0.000 0.000 0.312 546 V C -0.978 175.218 176.094 0.170 0.000 1.072 546 V CA -0.459 61.924 62.300 0.139 0.000 0.937 546 V CB 2.003 33.916 31.823 0.149 0.000 1.013 546 V HN 0.666 nan 8.190 nan 0.000 0.430 547 Y N 4.615 124.998 120.300 0.139 0.000 3.012 547 Y HA 0.503 5.053 4.550 0.000 0.000 0.236 547 Y C 1.643 177.709 175.900 0.277 0.000 1.017 547 Y CA 1.107 59.324 58.100 0.194 0.000 1.364 547 Y CB 0.378 38.926 38.460 0.146 0.000 1.491 547 Y HN 1.011 nan 8.280 nan 0.000 0.435 548 A N 1.093 124.042 122.820 0.217 0.000 2.910 548 A HA -0.228 4.092 4.320 0.000 0.000 0.267 548 A C 1.055 178.501 177.584 -0.229 0.000 1.310 548 A CA 1.078 53.185 52.037 0.117 0.000 0.934 548 A CB -2.517 16.614 19.000 0.219 0.000 1.057 548 A HN 0.877 nan 8.150 nan 0.000 0.742 549 G N -0.945 107.399 108.800 -0.760 0.000 2.699 549 G HA2 0.431 4.391 3.960 0.000 0.000 0.246 549 G HA3 0.431 4.391 3.960 0.000 0.000 0.246 549 G C -2.174 172.441 174.900 -0.474 0.000 1.219 549 G CA -0.515 43.761 45.100 -1.374 0.000 0.866 549 G HN 0.331 nan 8.290 nan 0.000 0.572 550 P HA 0.088 nan 4.420 nan 0.000 0.264 550 P C 0.573 177.740 177.300 -0.222 0.000 1.193 550 P CA 0.084 62.913 63.100 -0.452 0.000 0.763 550 P CB 0.707 31.703 31.700 -1.174 0.000 0.810 551 C N 2.654 121.894 119.300 -0.100 0.000 4.397 551 C HA -0.147 4.313 4.460 0.000 0.000 0.291 551 C C 0.920 176.008 174.990 0.165 0.000 1.408 551 C CA 1.151 60.108 59.018 -0.101 0.000 1.971 551 C CB -2.744 24.780 27.740 -0.360 0.000 1.258 551 C HN 0.792 nan 8.230 nan 0.000 0.795 552 S N -0.148 115.701 115.700 0.249 0.000 2.693 552 S HA 0.659 5.129 4.470 0.000 0.000 0.276 552 S C -0.667 174.158 174.600 0.374 0.000 1.192 552 S CA -0.059 58.372 58.200 0.385 0.000 0.994 552 S CB 1.743 65.217 63.200 0.457 0.000 1.012 552 S HN 0.797 nan 8.310 nan 0.000 0.550 553 Q N 0.067 120.067 119.800 0.332 0.000 2.483 553 Q HA 0.328 4.668 4.340 0.000 0.000 0.245 553 Q C -0.598 175.499 176.000 0.161 0.000 0.902 553 Q CA -0.604 55.346 55.803 0.245 0.000 0.767 553 Q CB 0.985 29.843 28.738 0.199 0.000 1.341 553 Q HN 0.670 nan 8.270 nan 0.000 0.453 554 K N 0.763 121.271 120.400 0.180 0.000 2.361 554 K HA 0.280 4.600 4.320 0.000 0.000 0.194 554 K C -0.088 176.596 176.600 0.140 0.000 1.032 554 K CA 0.384 56.765 56.287 0.158 0.000 1.048 554 K CB 1.092 33.722 32.500 0.218 0.000 0.842 554 K HN 0.500 nan 8.250 nan 0.000 0.526 555 A N 2.841 125.749 122.820 0.146 0.000 2.322 555 A HA 0.392 4.712 4.320 0.000 0.000 0.327 555 A C -0.673 176.949 177.584 0.063 0.000 1.394 555 A CA -0.551 51.569 52.037 0.139 0.000 0.921 555 A CB 0.061 19.193 19.000 0.221 0.000 1.153 555 A HN 0.248 nan 8.150 nan 0.000 0.523 556 D N -0.003 120.416 120.400 0.031 0.000 3.009 556 D HA 0.427 5.067 4.640 0.000 0.000 0.318 556 D C 0.568 176.872 176.300 0.006 0.000 1.273 556 D CA 0.383 54.391 54.000 0.013 0.000 1.001 556 D CB 0.137 40.948 40.800 0.019 0.000 1.411 556 D HN 0.174 nan 8.370 nan 0.000 0.577 557 T N -2.506 112.073 114.554 0.042 0.000 3.054 557 T HA 0.295 4.645 4.350 0.000 0.000 0.255 557 T C 0.536 175.207 174.700 -0.048 0.000 1.035 557 T CA -0.310 61.811 62.100 0.036 0.000 0.941 557 T CB -0.476 68.456 68.868 0.106 0.000 1.026 557 T HN 0.263 nan 8.240 nan 0.000 0.533 558 V N 2.836 122.606 119.914 -0.241 0.000 2.673 558 V HA 0.232 4.352 4.120 0.000 0.000 0.303 558 V C 0.146 176.174 176.094 -0.111 0.000 1.046 558 V CA -0.588 61.522 62.300 -0.315 0.000 1.126 558 V CB -0.235 31.273 31.823 -0.525 0.000 0.934 558 V HN 0.562 nan 8.190 nan 0.000 0.487 559 F N 6.577 126.425 119.950 -0.172 0.000 2.411 559 F HA 0.588 5.115 4.527 0.000 0.000 0.350 559 F C 0.439 176.175 175.800 -0.107 0.000 1.114 559 F CA -0.319 57.607 58.000 -0.124 0.000 1.135 559 F CB 0.365 39.301 39.000 -0.107 0.000 1.120 559 F HN 0.432 nan 8.300 nan 0.000 0.495 560 R N 6.072 126.011 120.500 -0.935 0.000 2.807 560 R HA 0.606 4.946 4.340 0.000 0.000 0.276 560 R C -1.490 174.325 176.300 -0.808 0.000 0.979 560 R CA -1.131 54.563 56.100 -0.676 0.000 0.928 560 R CB 2.143 32.245 30.300 -0.329 0.000 1.191 560 R HN 0.699 nan 8.270 nan 0.000 0.471 561 L N 3.566 124.545 121.223 -0.406 0.000 2.457 561 L HA 0.314 4.654 4.340 0.000 0.000 0.252 561 L C -0.921 175.928 176.870 -0.035 0.000 1.132 561 L CA -0.600 54.086 54.840 -0.258 0.000 0.938 561 L CB 0.344 42.390 42.059 -0.023 0.000 1.246 561 L HN 0.736 nan 8.230 nan 0.000 0.476 562 N N -1.309 117.283 118.700 -0.181 0.000 3.201 562 N HA 0.217 4.957 4.740 0.000 0.000 0.344 562 N C 0.378 175.500 175.510 -0.646 0.000 1.465 562 N CA -0.870 51.981 53.050 -0.331 0.000 0.731 562 N CB 0.211 38.639 38.487 -0.099 0.000 1.677 562 N HN 0.159 nan 8.380 nan 0.000 0.631 563 W N 0.324 121.018 121.300 -1.011 0.000 2.342 563 W HA 0.072 4.732 4.660 0.000 0.000 0.297 563 W C 2.031 178.458 176.519 -0.154 0.000 1.213 563 W CA 2.617 59.575 57.345 -0.645 0.000 1.251 563 W CB -0.970 28.261 29.460 -0.382 0.000 1.136 563 W HN 0.681 nan 8.180 nan 0.000 0.526 564 A N -0.683 122.108 122.820 -0.049 0.000 1.972 564 A HA -0.184 4.136 4.320 0.000 0.000 0.219 564 A C 1.936 179.410 177.584 -0.182 0.000 1.169 564 A CA 2.319 54.272 52.037 -0.141 0.000 0.635 564 A CB -1.207 17.790 19.000 -0.006 0.000 0.810 564 A HN 0.292 nan 8.150 nan 0.000 0.446 565 T N -1.173 113.282 114.554 -0.164 0.000 2.708 565 T HA -0.202 4.148 4.350 0.000 0.000 0.266 565 T C 1.824 176.527 174.700 0.005 0.000 1.037 565 T CA 1.752 63.737 62.100 -0.192 0.000 1.146 565 T CB -0.496 68.117 68.868 -0.426 0.000 0.865 565 T HN 0.684 nan 8.240 nan 0.000 0.435 566 Y N 2.096 122.445 120.300 0.082 0.000 2.145 566 Y HA -0.051 4.499 4.550 0.000 0.000 0.286 566 Y C 1.970 177.840 175.900 -0.050 0.000 1.145 566 Y CA 0.930 59.117 58.100 0.144 0.000 1.148 566 Y CB -0.819 37.710 38.460 0.115 0.000 0.981 566 Y HN 0.119 nan 8.280 nan 0.000 0.507 567 L N 0.228 121.049 121.223 -0.670 0.000 2.042 567 L HA -0.255 4.085 4.340 0.000 0.000 0.210 567 L C 2.806 179.413 176.870 -0.439 0.000 1.076 567 L CA 1.550 55.925 54.840 -0.776 0.000 0.749 567 L CB -0.947 40.704 42.059 -0.680 0.000 0.893 567 L HN 0.424 nan 8.230 nan 0.000 0.432 568 A N -1.523 121.122 122.820 -0.291 0.000 1.903 568 A HA -0.144 4.176 4.320 0.000 0.000 0.213 568 A C 2.484 179.978 177.584 -0.150 0.000 1.185 568 A CA 1.480 53.395 52.037 -0.204 0.000 0.628 568 A CB -0.515 18.363 19.000 -0.204 0.000 0.830 568 A HN 0.335 nan 8.150 nan 0.000 0.446 569 S N -0.957 114.675 115.700 -0.112 0.000 2.345 569 S HA -0.121 4.349 4.470 0.000 0.000 0.220 569 S C 2.024 176.618 174.600 -0.010 0.000 1.031 569 S CA 2.370 60.550 58.200 -0.033 0.000 0.996 569 S CB -0.431 62.815 63.200 0.077 0.000 0.882 569 S HN 0.559 nan 8.310 nan 0.000 0.445 570 T N 1.437 115.970 114.554 -0.034 0.000 2.904 570 T HA 0.154 4.505 4.350 0.000 0.000 0.243 570 T C 1.526 176.177 174.700 -0.081 0.000 1.024 570 T CA 0.656 62.752 62.100 -0.006 0.000 1.158 570 T CB -0.293 68.656 68.868 0.133 0.000 0.867 570 T HN 0.277 nan 8.240 nan 0.000 0.429 571 E N 1.501 121.546 120.200 -0.258 0.000 2.511 571 E HA 0.080 4.430 4.350 0.000 0.000 0.196 571 E C 0.221 176.774 176.600 -0.077 0.000 1.066 571 E CA -0.011 56.285 56.400 -0.175 0.000 0.871 571 E CB -0.629 28.894 29.700 -0.294 0.000 0.863 571 E HN 0.575 nan 8.360 nan 0.000 0.520 572 N N 0.232 118.894 118.700 -0.063 0.000 2.714 572 N HA -0.204 4.536 4.740 0.000 0.000 0.250 572 N C -0.610 174.930 175.510 0.050 0.000 1.117 572 N CA 0.098 53.168 53.050 0.033 0.000 0.719 572 N CB -1.152 37.406 38.487 0.118 0.000 1.081 572 N HN 0.199 nan 8.380 nan 0.000 0.557 573 I N 1.237 121.772 120.570 -0.057 0.000 2.385 573 I HA 0.305 4.475 4.170 0.000 0.000 0.294 573 I C 0.681 176.736 176.117 -0.104 0.000 0.988 573 I CA -0.668 60.602 61.300 -0.050 0.000 1.265 573 I CB 1.275 39.267 38.000 -0.013 0.000 1.388 573 I HN 0.010 nan 8.210 nan 0.000 0.480 574 I N 6.470 126.983 120.570 -0.094 0.000 2.337 574 I HA 0.122 4.292 4.170 0.000 0.000 0.291 574 I C -0.371 175.702 176.117 -0.074 0.000 1.046 574 I CA -0.380 60.824 61.300 -0.160 0.000 1.324 574 I CB 0.892 38.782 38.000 -0.184 0.000 1.409 574 I HN 0.230 nan 8.210 nan 0.000 0.494 575 V N 7.058 126.922 119.914 -0.084 0.000 2.294 575 V HA 0.518 4.638 4.120 0.000 0.000 0.272 575 V C 0.484 176.592 176.094 0.023 0.000 1.027 575 V CA -0.468 61.843 62.300 0.019 0.000 0.823 575 V CB 0.747 32.578 31.823 0.014 0.000 1.030 575 V HN 0.800 nan 8.190 nan 0.000 0.457 576 A N 3.867 126.720 122.820 0.055 0.000 2.325 576 A HA 0.899 5.219 4.320 0.000 0.000 0.333 576 A C 0.031 177.775 177.584 0.267 0.000 1.155 576 A CA -0.436 51.628 52.037 0.044 0.000 0.814 576 A CB 1.382 20.184 19.000 -0.331 0.000 1.206 576 A HN 0.648 nan 8.150 nan 0.000 0.482 577 S N 0.194 116.102 115.700 0.346 0.000 2.542 577 S HA 0.745 5.215 4.470 0.000 0.000 0.293 577 S C -1.348 173.629 174.600 0.628 0.000 1.089 577 S CA -0.285 58.175 58.200 0.434 0.000 0.961 577 S CB 1.214 64.597 63.200 0.306 0.000 1.062 577 S HN 0.652 nan 8.310 nan 0.000 0.483 578 F N 1.947 122.152 119.950 0.426 0.000 2.547 578 F HA 0.405 4.932 4.527 0.000 0.000 0.316 578 F C -1.292 174.719 175.800 0.353 0.000 1.121 578 F CA -0.711 57.550 58.000 0.434 0.000 0.911 578 F CB 1.439 40.656 39.000 0.363 0.000 1.179 578 F HN 0.419 nan 8.300 nan 0.000 0.443 579 D N 5.185 125.465 120.400 -0.200 0.000 2.485 579 D HA 0.272 4.912 4.640 0.000 0.000 0.221 579 D C 0.501 176.699 176.300 -0.170 0.000 1.112 579 D CA 0.116 54.092 54.000 -0.040 0.000 0.911 579 D CB 1.322 42.179 40.800 0.095 0.000 1.019 579 D HN 0.751 nan 8.370 nan 0.000 0.516 580 G N 1.254 110.089 108.800 0.058 0.000 2.582 580 G HA2 0.193 4.153 3.960 0.000 0.000 0.232 580 G HA3 0.193 4.153 3.960 0.000 0.000 0.232 580 G C 0.387 175.488 174.900 0.334 0.000 1.458 580 G CA -0.591 44.641 45.100 0.221 0.000 1.062 580 G HN 0.282 nan 8.290 nan 0.000 0.566 581 R N -0.942 119.715 120.500 0.261 0.000 2.679 581 R HA 0.380 4.720 4.340 0.000 0.000 0.268 581 R C 1.319 177.760 176.300 0.235 0.000 1.044 581 R CA 1.438 57.714 56.100 0.293 0.000 1.105 581 R CB 0.515 30.925 30.300 0.183 0.000 0.989 581 R HN 0.987 nan 8.270 nan 0.000 0.447 582 G N 0.742 109.656 108.800 0.191 0.000 2.317 582 G HA2 -0.342 3.618 3.960 0.000 0.000 0.227 582 G HA3 -0.342 3.618 3.960 0.000 0.000 0.227 582 G C 0.131 175.087 174.900 0.094 0.000 1.042 582 G CA 0.136 45.319 45.100 0.140 0.000 0.623 582 G HN 0.748 nan 8.290 nan 0.000 0.509 583 S N 0.665 116.443 115.700 0.130 0.000 2.572 583 S HA 0.569 5.039 4.470 0.000 0.000 0.267 583 S C 0.851 175.484 174.600 0.056 0.000 1.361 583 S CA 0.738 59.012 58.200 0.124 0.000 1.009 583 S CB 1.590 64.894 63.200 0.173 0.000 0.888 583 S HN 1.817 nan 8.310 nan 0.000 0.553 584 G N -1.036 107.790 108.800 0.044 0.000 3.016 584 G HA2 0.534 4.494 3.960 0.000 0.000 0.270 584 G HA3 0.534 4.494 3.960 0.000 0.000 0.270 584 G C -0.983 173.900 174.900 -0.028 0.000 1.352 584 G CA -1.004 44.001 45.100 -0.159 0.000 1.060 584 G HN 0.919 nan 8.290 nan 0.000 0.538 585 Y N -2.135 118.153 120.300 -0.021 0.000 4.841 585 Y HA -0.221 4.329 4.550 0.000 0.000 0.242 585 Y C 1.459 177.341 175.900 -0.030 0.000 1.002 585 Y CA 1.185 59.277 58.100 -0.015 0.000 2.011 585 Y CB -1.963 36.509 38.460 0.020 0.000 1.554 585 Y HN 0.508 nan 8.280 nan 0.000 0.618 586 Q N 0.010 119.810 119.800 -0.000 0.000 2.086 586 Q HA 0.517 4.857 4.340 0.000 0.000 0.220 586 Q C 0.847 176.693 176.000 -0.256 0.000 0.792 586 Q CA 0.222 56.018 55.803 -0.011 0.000 1.062 586 Q CB 1.762 30.495 28.738 -0.007 0.000 1.198 586 Q HN 0.549 nan 8.270 nan 0.000 0.466 587 G N 0.650 109.153 108.800 -0.495 0.000 2.629 587 G HA2 -0.166 3.794 3.960 0.000 0.000 0.686 587 G HA3 -0.166 3.794 3.960 0.000 0.000 0.686 587 G C -0.502 174.001 174.900 -0.663 0.000 1.232 587 G CA -0.566 43.956 45.100 -0.963 0.000 0.803 587 G HN 0.080 nan 8.290 nan 0.000 0.638 588 D N 0.298 120.267 120.400 -0.719 0.000 2.144 588 D HA -0.088 4.552 4.640 0.000 0.000 0.200 588 D C 2.311 178.291 176.300 -0.534 0.000 0.978 588 D CA 1.500 55.014 54.000 -0.809 0.000 0.833 588 D CB 0.031 40.271 40.800 -0.933 0.000 0.961 588 D HN 0.547 nan 8.370 nan 0.000 0.470 589 K N 1.188 121.348 120.400 -0.400 0.000 2.127 589 K HA -0.147 4.173 4.320 0.000 0.000 0.208 589 K C 1.836 178.342 176.600 -0.158 0.000 1.047 589 K CA 1.149 57.299 56.287 -0.228 0.000 0.927 589 K CB -0.341 32.042 32.500 -0.196 0.000 0.716 589 K HN 0.200 nan 8.250 nan 0.000 0.450 590 I N -0.692 119.765 120.570 -0.189 0.000 2.556 590 I HA -0.040 4.130 4.170 0.000 0.000 0.251 590 I C 2.446 178.541 176.117 -0.036 0.000 1.105 590 I CA 0.669 61.925 61.300 -0.073 0.000 1.436 590 I CB -0.130 37.816 38.000 -0.090 0.000 1.139 590 I HN 0.243 nan 8.210 nan 0.000 0.438 591 M N 0.299 119.814 119.600 -0.141 0.000 2.159 591 M HA -0.240 4.240 4.480 0.000 0.000 0.263 591 M C 1.698 178.054 176.300 0.094 0.000 1.063 591 M CA 2.038 57.295 55.300 -0.070 0.000 1.110 591 M CB -0.309 32.158 32.600 -0.221 0.000 1.374 591 M HN 0.277 nan 8.290 nan 0.000 0.411 592 H N -0.752 118.220 119.070 -0.164 0.000 2.539 592 H HA 0.211 4.767 4.556 0.000 0.000 0.267 592 H C 1.928 177.260 175.328 0.008 0.000 0.982 592 H CA 0.059 56.010 56.048 -0.163 0.000 1.146 592 H CB 0.234 29.798 29.762 -0.330 0.000 1.382 592 H HN 0.541 nan 8.280 nan 0.000 0.577 593 A N 1.754 124.662 122.820 0.146 0.000 1.917 593 A HA -0.170 4.150 4.320 0.000 0.000 0.219 593 A C 2.027 179.778 177.584 0.277 0.000 1.182 593 A CA 1.359 53.477 52.037 0.135 0.000 0.633 593 A CB -0.708 18.335 19.000 0.073 0.000 0.819 593 A HN 0.557 nan 8.150 nan 0.000 0.448 594 I N -2.310 118.435 120.570 0.291 0.000 3.752 594 I HA 0.138 4.308 4.170 0.000 0.000 0.313 594 I C 0.342 176.578 176.117 0.198 0.000 1.304 594 I CA -0.357 61.106 61.300 0.271 0.000 1.171 594 I CB -0.922 37.203 38.000 0.208 0.000 1.038 594 I HN 0.277 nan 8.210 nan 0.000 0.427 595 N N 2.668 121.511 118.700 0.237 0.000 2.454 595 N HA -0.009 4.731 4.740 0.000 0.000 0.260 595 N C 0.277 175.848 175.510 0.102 0.000 1.218 595 N CA -0.002 53.193 53.050 0.242 0.000 0.904 595 N CB 0.370 38.945 38.487 0.148 0.000 1.065 595 N HN 0.398 nan 8.380 nan 0.000 0.462 596 R N 0.460 121.000 120.500 0.066 0.000 4.023 596 R HA -0.203 4.137 4.340 0.000 0.000 0.368 596 R C -0.221 176.005 176.300 -0.124 0.000 1.187 596 R CA 0.946 57.039 56.100 -0.011 0.000 1.089 596 R CB -0.850 29.451 30.300 0.003 0.000 1.574 596 R HN 0.566 nan 8.270 nan 0.000 0.564 597 R N 0.503 120.933 120.500 -0.117 0.000 2.734 597 R HA 0.263 4.603 4.340 0.000 0.000 0.395 597 R C -0.993 175.315 176.300 0.014 0.000 1.096 597 R CA -0.444 55.485 56.100 -0.284 0.000 1.071 597 R CB 0.467 30.610 30.300 -0.261 0.000 1.348 597 R HN -0.079 nan 8.270 nan 0.000 0.600 598 L N -0.060 121.233 121.223 0.117 0.000 2.483 598 L HA 0.276 4.616 4.340 0.000 0.000 0.276 598 L C 1.432 178.561 176.870 0.433 0.000 1.213 598 L CA 1.308 56.259 54.840 0.186 0.000 0.843 598 L CB 0.506 42.465 42.059 -0.167 0.000 1.107 598 L HN 0.646 nan 8.230 nan 0.000 0.487 599 G N 0.805 109.873 108.800 0.447 0.000 2.248 599 G HA2 -0.210 3.750 3.960 0.000 0.000 0.263 599 G HA3 -0.210 3.750 3.960 0.000 0.000 0.263 599 G C 0.369 175.346 174.900 0.128 0.000 1.082 599 G CA 0.828 46.113 45.100 0.308 0.000 0.863 599 G HN 1.027 nan 8.290 nan 0.000 0.495 600 T N -4.279 110.310 114.554 0.058 0.000 2.430 600 T HA 0.492 4.842 4.350 0.000 0.000 0.149 600 T C 1.475 176.132 174.700 -0.071 0.000 0.772 600 T CA 0.805 62.829 62.100 -0.125 0.000 0.802 600 T CB 0.099 68.713 68.868 -0.424 0.000 2.639 600 T HN 0.345 nan 8.240 nan 0.000 0.360 601 F N 3.182 123.179 119.950 0.077 0.000 2.087 601 F HA -0.039 4.488 4.527 0.000 0.000 0.299 601 F C 2.609 178.458 175.800 0.081 0.000 1.100 601 F CA 2.077 60.115 58.000 0.063 0.000 1.226 601 F CB -1.190 37.849 39.000 0.065 0.000 0.983 601 F HN 0.658 nan 8.300 nan 0.000 0.479 602 E N 0.027 120.403 120.200 0.294 0.000 2.130 602 E HA -0.195 4.155 4.350 0.000 0.000 0.196 602 E C 2.075 178.789 176.600 0.191 0.000 0.998 602 E CA 1.917 58.464 56.400 0.246 0.000 0.806 602 E CB -0.978 28.881 29.700 0.264 0.000 0.738 602 E HN 0.308 nan 8.360 nan 0.000 0.459 603 V N 1.336 121.326 119.914 0.127 0.000 2.346 603 V HA -0.185 3.935 4.120 0.000 0.000 0.244 603 V C 2.198 178.326 176.094 0.056 0.000 1.037 603 V CA 1.986 64.314 62.300 0.048 0.000 1.029 603 V CB -0.593 31.207 31.823 -0.038 0.000 0.663 603 V HN 0.197 nan 8.190 nan 0.000 0.454 604 E N 0.422 120.665 120.200 0.071 0.000 2.058 604 E HA -0.265 4.085 4.350 0.000 0.000 0.194 604 E C 1.984 178.613 176.600 0.049 0.000 0.997 604 E CA 1.717 58.157 56.400 0.066 0.000 0.801 604 E CB -0.252 29.512 29.700 0.107 0.000 0.746 604 E HN 0.566 nan 8.360 nan 0.000 0.450 605 D N 0.256 120.703 120.400 0.079 0.000 2.149 605 D HA -0.180 4.460 4.640 0.000 0.000 0.198 605 D C 1.965 178.242 176.300 -0.038 0.000 0.990 605 D CA 0.986 54.997 54.000 0.018 0.000 0.839 605 D CB -0.242 40.643 40.800 0.141 0.000 0.948 605 D HN 0.036 nan 8.370 nan 0.000 0.460 606 Q N 0.317 120.172 119.800 0.091 0.000 2.096 606 Q HA -0.063 4.277 4.340 0.000 0.000 0.204 606 Q C 2.187 178.239 176.000 0.087 0.000 0.982 606 Q CA 0.989 56.863 55.803 0.119 0.000 0.850 606 Q CB -0.280 28.546 28.738 0.146 0.000 0.901 606 Q HN 0.370 nan 8.270 nan 0.000 0.422 607 I N 0.038 120.669 120.570 0.102 0.000 2.202 607 I HA -0.210 3.960 4.170 0.000 0.000 0.242 607 I C 2.187 178.278 176.117 -0.044 0.000 1.091 607 I CA 1.034 62.442 61.300 0.180 0.000 1.368 607 I CB -0.352 37.739 38.000 0.151 0.000 1.058 607 I HN 0.199 nan 8.210 nan 0.000 0.410 608 E N 1.102 121.212 120.200 -0.149 0.000 2.153 608 E HA -0.200 4.150 4.350 0.000 0.000 0.194 608 E C 2.275 178.573 176.600 -0.502 0.000 0.988 608 E CA 1.336 57.573 56.400 -0.271 0.000 0.811 608 E CB -0.094 29.454 29.700 -0.253 0.000 0.746 608 E HN 0.485 nan 8.360 nan 0.000 0.466 609 A N 1.254 123.643 122.820 -0.718 0.000 1.908 609 A HA -0.148 4.172 4.320 0.000 0.000 0.218 609 A C 2.429 179.364 177.584 -1.083 0.000 1.181 609 A CA 2.132 53.427 52.037 -1.237 0.000 0.627 609 A CB -0.609 17.616 19.000 -1.292 0.000 0.818 609 A HN 0.293 nan 8.150 nan 0.000 0.445 610 A N -0.049 122.507 122.820 -0.439 0.000 1.865 610 A HA -0.201 4.119 4.320 0.000 0.000 0.217 610 A C 2.242 179.679 177.584 -0.245 0.000 1.191 610 A CA 1.577 53.510 52.037 -0.173 0.000 0.623 610 A CB -0.571 18.323 19.000 -0.176 0.000 0.826 610 A HN 0.542 nan 8.150 nan 0.000 0.444 611 R N -0.836 119.497 120.500 -0.278 0.000 2.096 611 R HA -0.175 4.165 4.340 0.000 0.000 0.240 611 R C 2.277 178.430 176.300 -0.246 0.000 1.139 611 R CA 1.563 57.526 56.100 -0.228 0.000 0.952 611 R CB -0.478 29.701 30.300 -0.201 0.000 0.854 611 R HN 0.558 nan 8.270 nan 0.000 0.436 612 Q N -0.271 119.307 119.800 -0.371 0.000 2.167 612 Q HA -0.091 4.249 4.340 0.000 0.000 0.202 612 Q C 2.033 177.867 176.000 -0.277 0.000 0.970 612 Q CA 1.277 56.863 55.803 -0.361 0.000 0.855 612 Q CB -0.157 28.285 28.738 -0.492 0.000 0.911 612 Q HN 0.278 nan 8.270 nan 0.000 0.438 613 F N 0.870 120.673 119.950 -0.245 0.000 2.128 613 F HA -0.131 4.396 4.527 0.000 0.000 0.295 613 F C 2.720 178.344 175.800 -0.292 0.000 1.100 613 F CA 1.207 59.059 58.000 -0.247 0.000 1.260 613 F CB -1.342 37.576 39.000 -0.137 0.000 1.009 613 F HN 0.091 nan 8.300 nan 0.000 0.476 614 S N 0.130 115.807 115.700 -0.038 0.000 2.382 614 S HA -0.223 4.247 4.470 0.000 0.000 0.228 614 S C 1.983 176.473 174.600 -0.183 0.000 1.027 614 S CA 1.183 59.314 58.200 -0.115 0.000 0.991 614 S CB -0.629 62.512 63.200 -0.098 0.000 0.823 614 S HN 0.369 nan 8.310 nan 0.000 0.469 615 K N 0.682 120.979 120.400 -0.170 0.000 2.074 615 K HA -0.018 4.302 4.320 0.000 0.000 0.209 615 K C 2.157 178.629 176.600 -0.213 0.000 1.048 615 K CA 1.863 58.053 56.287 -0.162 0.000 0.926 615 K CB -0.421 31.995 32.500 -0.140 0.000 0.713 615 K HN 0.460 nan 8.250 nan 0.000 0.444 616 M N -0.568 118.842 119.600 -0.317 0.000 2.530 616 M HA -0.121 4.359 4.480 0.000 0.000 0.261 616 M C 1.303 177.266 176.300 -0.561 0.000 1.067 616 M CA 1.367 56.382 55.300 -0.475 0.000 1.071 616 M CB -0.218 31.924 32.600 -0.764 0.000 1.405 616 M HN 0.566 nan 8.290 nan 0.000 0.478 617 G N 0.476 109.017 108.800 -0.430 0.000 2.212 617 G HA2 -0.303 3.657 3.960 0.000 0.000 0.266 617 G HA3 -0.303 3.657 3.960 0.000 0.000 0.266 617 G C 0.393 175.219 174.900 -0.124 0.000 0.978 617 G CA 0.494 45.451 45.100 -0.238 0.000 0.632 617 G HN 0.632 nan 8.290 nan 0.000 0.537 618 F N 0.170 120.176 119.950 0.092 0.000 2.668 618 F HA 0.746 5.273 4.527 0.000 0.000 0.297 618 F C 0.187 176.100 175.800 0.189 0.000 1.124 618 F CA -1.745 56.344 58.000 0.149 0.000 1.353 618 F CB -0.168 38.976 39.000 0.239 0.000 0.992 618 F HN 0.073 nan 8.300 nan 0.000 0.524 619 V N 1.166 121.189 119.914 0.182 0.000 2.495 619 V HA 0.253 4.373 4.120 0.000 0.000 0.298 619 V C -0.813 175.302 176.094 0.035 0.000 1.031 619 V CA -0.798 61.591 62.300 0.148 0.000 0.871 619 V CB 1.795 33.662 31.823 0.074 0.000 0.988 619 V HN 0.091 nan 8.190 nan 0.000 0.432 620 D N 3.765 124.169 120.400 0.008 0.000 2.365 620 D HA 0.148 4.788 4.640 0.000 0.000 0.237 620 D C 1.157 177.426 176.300 -0.052 0.000 1.190 620 D CA -0.084 53.890 54.000 -0.043 0.000 0.867 620 D CB 0.669 41.420 40.800 -0.083 0.000 1.050 620 D HN 0.443 nan 8.370 nan 0.000 0.491 621 N N 3.605 122.275 118.700 -0.049 0.000 2.192 621 N HA -0.176 4.564 4.740 0.000 0.000 0.188 621 N C 0.962 176.447 175.510 -0.041 0.000 1.013 621 N CA 0.943 53.958 53.050 -0.058 0.000 0.863 621 N CB 0.054 38.504 38.487 -0.061 0.000 0.990 621 N HN 0.561 nan 8.380 nan 0.000 0.430 622 K N 0.511 120.895 120.400 -0.026 0.000 2.486 622 K HA 0.054 4.374 4.320 0.000 0.000 0.194 622 K C 0.260 176.886 176.600 0.042 0.000 1.033 622 K CA 0.466 56.756 56.287 0.004 0.000 1.004 622 K CB 0.236 32.737 32.500 0.002 0.000 0.798 622 K HN 0.077 nan 8.250 nan 0.000 0.495 623 R N 1.144 121.649 120.500 0.008 0.000 2.585 623 R HA 0.359 4.699 4.340 0.000 0.000 0.278 623 R C -1.074 175.241 176.300 0.026 0.000 1.663 623 R CA -0.064 56.061 56.100 0.041 0.000 1.592 623 R CB 0.696 30.868 30.300 -0.213 0.000 1.200 623 R HN -0.014 nan 8.270 nan 0.000 0.611 624 I N 1.404 122.104 120.570 0.216 0.000 2.439 624 I HA 0.546 4.716 4.170 0.000 0.000 0.285 624 I C -0.065 176.342 176.117 0.483 0.000 1.021 624 I CA -0.718 60.718 61.300 0.227 0.000 1.091 624 I CB 1.866 39.827 38.000 -0.064 0.000 1.242 624 I HN 0.406 nan 8.210 nan 0.000 0.439 625 A N 7.228 130.443 122.820 0.659 0.000 2.312 625 A HA 0.949 5.269 4.320 0.000 0.000 0.310 625 A C -0.894 177.088 177.584 0.663 0.000 1.139 625 A CA -0.681 51.722 52.037 0.611 0.000 0.886 625 A CB 2.042 21.261 19.000 0.365 0.000 1.350 625 A HN 0.727 nan 8.150 nan 0.000 0.479 626 I N -0.274 120.580 120.570 0.473 0.000 2.787 626 I HA 0.600 4.770 4.170 0.000 0.000 0.294 626 I C -2.200 174.181 176.117 0.440 0.000 1.365 626 I CA -0.572 60.936 61.300 0.346 0.000 1.029 626 I CB 1.701 39.594 38.000 -0.178 0.000 1.313 626 I HN 0.989 nan 8.210 nan 0.000 0.431 627 W N 6.802 128.239 121.300 0.230 0.000 3.137 627 W HA 0.846 5.506 4.660 0.000 0.000 0.324 627 W C -1.443 175.239 176.519 0.270 0.000 1.253 627 W CA -0.914 56.581 57.345 0.249 0.000 1.183 627 W CB 0.980 30.644 29.460 0.340 0.000 1.424 627 W HN 0.837 nan 8.180 nan 0.000 0.566 628 G N 0.552 109.278 108.800 -0.123 0.000 2.623 628 G HA2 0.517 4.477 3.960 0.000 0.000 0.290 628 G HA3 0.517 4.477 3.960 0.000 0.000 0.290 628 G C -2.791 172.052 174.900 -0.096 0.000 1.437 628 G CA -0.741 44.159 45.100 -0.334 0.000 0.798 628 G HN 0.610 nan 8.290 nan 0.000 0.488 629 W N 1.071 122.271 121.300 -0.167 0.000 2.656 629 W HA 0.559 5.219 4.660 0.000 0.000 0.327 629 W C 0.740 177.351 176.519 0.153 0.000 1.041 629 W CA 0.311 57.651 57.345 -0.007 0.000 1.229 629 W CB 1.728 31.180 29.460 -0.013 0.000 1.397 629 W HN 1.131 nan 8.180 nan 0.000 0.479 630 S N 3.280 119.194 115.700 0.358 0.000 4.151 630 S HA -0.432 4.038 4.470 0.000 0.000 0.603 630 S C 1.190 175.906 174.600 0.193 0.000 1.878 630 S CA 1.963 60.399 58.200 0.393 0.000 4.246 630 S CB -1.838 61.798 63.200 0.727 0.000 0.211 630 S HN 0.723 nan 8.310 nan 0.000 0.469 631 Y N 2.656 123.006 120.300 0.084 0.000 2.256 631 Y HA 0.032 4.582 4.550 0.000 0.000 0.288 631 Y C 2.346 178.197 175.900 -0.081 0.000 1.155 631 Y CA 2.527 60.550 58.100 -0.128 0.000 1.203 631 Y CB -0.993 37.076 38.460 -0.651 0.000 0.980 631 Y HN 0.497 nan 8.280 nan 0.000 0.530 632 G N -1.077 107.815 108.800 0.154 0.000 2.402 632 G HA2 -0.205 3.755 3.960 0.000 0.000 0.216 632 G HA3 -0.205 3.755 3.960 0.000 0.000 0.216 632 G C 1.951 176.896 174.900 0.075 0.000 1.162 632 G CA 0.678 45.863 45.100 0.142 0.000 0.777 632 G HN 0.556 nan 8.290 nan 0.000 0.539 633 G N -0.092 108.754 108.800 0.076 0.000 2.418 633 G HA2 -0.270 3.690 3.960 0.000 0.000 0.217 633 G HA3 -0.270 3.690 3.960 0.000 0.000 0.217 633 G C 1.622 176.547 174.900 0.041 0.000 1.158 633 G CA 1.175 46.299 45.100 0.040 0.000 0.771 633 G HN 0.406 nan 8.290 nan 0.000 0.545 634 Y N 1.443 121.649 120.300 -0.157 0.000 2.097 634 Y HA -0.161 4.389 4.550 0.000 0.000 0.282 634 Y C 2.803 178.606 175.900 -0.161 0.000 1.152 634 Y CA 1.696 59.645 58.100 -0.251 0.000 1.136 634 Y CB -0.633 37.522 38.460 -0.507 0.000 0.975 634 Y HN 0.038 nan 8.280 nan 0.000 0.498 635 V N -0.366 119.385 119.914 -0.271 0.000 2.295 635 V HA -0.324 3.796 4.120 0.000 0.000 0.246 635 V C 2.360 178.332 176.094 -0.203 0.000 1.049 635 V CA 2.454 64.584 62.300 -0.283 0.000 1.024 635 V CB -1.251 30.564 31.823 -0.012 0.000 0.648 635 V HN 0.484 nan 8.190 nan 0.000 0.447 636 T N -0.097 114.404 114.554 -0.088 0.000 2.699 636 T HA -0.212 4.138 4.350 0.000 0.000 0.268 636 T C 2.112 176.781 174.700 -0.052 0.000 1.036 636 T CA 2.087 64.155 62.100 -0.053 0.000 1.147 636 T CB -0.240 68.675 68.868 0.079 0.000 0.862 636 T HN 0.523 nan 8.240 nan 0.000 0.446 637 S N 0.670 116.359 115.700 -0.019 0.000 2.371 637 S HA 0.069 4.539 4.470 0.000 0.000 0.224 637 S C 2.093 176.618 174.600 -0.124 0.000 1.029 637 S CA 0.716 58.937 58.200 0.035 0.000 0.978 637 S CB -0.197 63.068 63.200 0.107 0.000 0.833 637 S HN 0.319 nan 8.310 nan 0.000 0.466 638 M N 1.018 120.453 119.600 -0.274 0.000 2.213 638 M HA -0.011 4.469 4.480 0.000 0.000 0.263 638 M C 2.105 178.240 176.300 -0.274 0.000 1.062 638 M CA 0.993 56.105 55.300 -0.313 0.000 1.105 638 M CB -1.259 31.051 32.600 -0.483 0.000 1.385 638 M HN 0.174 nan 8.290 nan 0.000 0.417 639 V N 0.398 120.151 119.914 -0.268 0.000 2.283 639 V HA -0.207 3.913 4.120 0.000 0.000 0.243 639 V C 2.452 178.373 176.094 -0.289 0.000 1.039 639 V CA 1.200 63.352 62.300 -0.247 0.000 1.016 639 V CB -0.553 31.082 31.823 -0.313 0.000 0.650 639 V HN 0.383 nan 8.190 nan 0.000 0.449 640 L N 0.528 121.534 121.223 -0.362 0.000 2.261 640 L HA -0.110 4.230 4.340 0.000 0.000 0.216 640 L C 1.997 178.394 176.870 -0.789 0.000 1.114 640 L CA 1.448 56.018 54.840 -0.450 0.000 0.777 640 L CB -0.619 41.206 42.059 -0.388 0.000 0.910 640 L HN 0.501 nan 8.230 nan 0.000 0.440 641 G N -1.740 106.555 108.800 -0.842 0.000 3.502 641 G HA2 0.035 3.995 3.960 0.000 0.000 0.267 641 G HA3 0.035 3.995 3.960 0.000 0.000 0.267 641 G C 1.306 175.996 174.900 -0.349 0.000 1.090 641 G CA 0.495 45.120 45.100 -0.791 0.000 0.795 641 G HN 0.392 nan 8.290 nan 0.000 0.535 642 S N -0.825 114.723 115.700 -0.253 0.000 2.470 642 S HA 0.296 4.766 4.470 0.000 0.000 0.225 642 S C 1.952 176.495 174.600 -0.096 0.000 1.006 642 S CA 0.988 59.106 58.200 -0.136 0.000 0.934 642 S CB -0.038 63.111 63.200 -0.086 0.000 0.778 642 S HN 1.360 nan 8.310 nan 0.000 0.517 643 G N 1.419 110.155 108.800 -0.107 0.000 2.143 643 G HA2 -0.355 3.605 3.960 0.000 0.000 0.248 643 G HA3 -0.355 3.605 3.960 0.000 0.000 0.248 643 G C 1.005 175.889 174.900 -0.027 0.000 0.991 643 G CA 1.074 46.137 45.100 -0.062 0.000 0.689 643 G HN 1.141 nan 8.290 nan 0.000 0.522 644 S N -0.333 115.362 115.700 -0.008 0.000 2.345 644 S HA 0.290 4.760 4.470 0.000 0.000 0.220 644 S C 2.410 177.015 174.600 0.007 0.000 1.031 644 S CA 2.062 60.270 58.200 0.012 0.000 0.996 644 S CB -0.348 62.888 63.200 0.059 0.000 0.882 644 S HN 2.454 nan 8.310 nan 0.000 0.445 645 G N -0.525 108.292 108.800 0.028 0.000 2.130 645 G HA2 -0.184 3.776 3.960 0.000 0.000 0.216 645 G HA3 -0.184 3.776 3.960 0.000 0.000 0.216 645 G C 0.525 175.416 174.900 -0.016 0.000 0.999 645 G CA 0.252 45.361 45.100 0.014 0.000 0.686 645 G HN 0.791 nan 8.290 nan 0.000 0.515 646 V N -0.858 119.036 119.914 -0.033 0.000 2.949 646 V HA 0.400 4.520 4.120 0.000 0.000 0.245 646 V C 0.988 176.848 176.094 -0.389 0.000 1.086 646 V CA 0.944 63.095 62.300 -0.247 0.000 1.097 646 V CB -0.170 31.421 31.823 -0.387 0.000 0.762 646 V HN 0.282 nan 8.190 nan 0.000 0.470 647 F N 0.221 120.202 119.950 0.053 0.000 2.422 647 F HA 0.425 4.952 4.527 0.000 0.000 0.333 647 F C 1.154 177.014 175.800 0.099 0.000 1.095 647 F CA -0.498 57.562 58.000 0.099 0.000 1.038 647 F CB 1.589 40.654 39.000 0.109 0.000 1.156 647 F HN -0.252 nan 8.300 nan 0.000 0.483 648 K N 1.246 121.821 120.400 0.291 0.000 2.211 648 K HA 0.155 4.475 4.320 0.000 0.000 0.201 648 K C -0.206 176.522 176.600 0.213 0.000 1.052 648 K CA 0.770 57.182 56.287 0.209 0.000 0.973 648 K CB 0.298 32.912 32.500 0.190 0.000 0.766 648 K HN 0.796 nan 8.250 nan 0.000 0.466 649 c N -2.729 116.029 118.600 0.264 0.000 3.320 649 c HA 0.895 5.465 4.570 0.000 0.000 0.335 649 c C -0.241 174.078 174.090 0.381 0.000 1.430 649 c CA -0.593 55.909 56.329 0.288 0.000 1.271 649 c CB 1.080 43.631 42.510 0.068 0.000 1.609 649 c HN 0.335 nan 8.230 nan 0.000 0.457 650 G N -0.142 108.974 108.800 0.526 0.000 2.646 650 G HA2 0.717 4.677 3.960 0.000 0.000 0.291 650 G HA3 0.717 4.677 3.960 0.000 0.000 0.291 650 G C -2.047 173.131 174.900 0.464 0.000 1.445 650 G CA -0.692 44.693 45.100 0.475 0.000 0.814 650 G HN 1.011 nan 8.290 nan 0.000 0.495 651 I N 0.634 121.435 120.570 0.385 0.000 2.466 651 I HA 0.614 4.784 4.170 0.000 0.000 0.289 651 I C 0.111 176.365 176.117 0.229 0.000 1.026 651 I CA -0.990 60.420 61.300 0.182 0.000 1.078 651 I CB 2.293 40.405 38.000 0.186 0.000 1.249 651 I HN 0.661 nan 8.210 nan 0.000 0.429 652 A N 6.544 129.385 122.820 0.036 0.000 2.273 652 A HA 0.774 5.094 4.320 0.000 0.000 0.315 652 A C -0.744 176.758 177.584 -0.136 0.000 1.256 652 A CA -0.502 51.560 52.037 0.042 0.000 0.851 652 A CB 1.032 20.119 19.000 0.145 0.000 1.172 652 A HN 0.438 nan 8.150 nan 0.000 0.508 653 V N 2.081 121.858 119.914 -0.229 0.000 2.398 653 V HA 0.578 4.698 4.120 0.000 0.000 0.286 653 V C 0.976 176.609 176.094 -0.768 0.000 1.026 653 V CA 0.268 62.197 62.300 -0.618 0.000 0.868 653 V CB 0.887 32.045 31.823 -1.107 0.000 0.982 653 V HN 2.063 nan 8.190 nan 0.000 0.443 654 A N 5.471 127.813 122.820 -0.797 0.000 2.415 654 A HA -0.109 4.211 4.320 0.000 0.000 0.292 654 A C -1.642 175.665 177.584 -0.462 0.000 1.452 654 A CA 0.598 52.026 52.037 -1.014 0.000 0.750 654 A CB -1.577 16.976 19.000 -0.745 0.000 1.099 654 A HN 0.633 nan 8.150 nan 0.000 0.391 655 P HA 0.487 nan 4.420 nan 0.000 0.279 655 P C -0.124 177.126 177.300 -0.083 0.000 1.276 655 P CA -0.368 62.669 63.100 -0.105 0.000 0.801 655 P CB 1.230 32.908 31.700 -0.038 0.000 1.127 656 V N 1.117 120.921 119.914 -0.184 0.000 2.427 656 V HA 0.147 4.267 4.120 0.000 0.000 0.286 656 V C 1.597 177.502 176.094 -0.316 0.000 1.034 656 V CA 0.338 62.402 62.300 -0.392 0.000 0.893 656 V CB 1.070 32.317 31.823 -0.961 0.000 0.982 656 V HN 0.780 nan 8.190 nan 0.000 0.452 657 S N 4.862 120.423 115.700 -0.231 0.000 2.510 657 S HA 0.197 4.667 4.470 0.000 0.000 0.230 657 S C 0.599 175.012 174.600 -0.312 0.000 1.066 657 S CA -0.316 57.798 58.200 -0.145 0.000 0.941 657 S CB 0.188 63.388 63.200 -0.001 0.000 0.829 657 S HN 0.797 nan 8.310 nan 0.000 0.530 658 R N -1.108 119.110 120.500 -0.470 0.000 2.621 658 R HA 0.493 4.833 4.340 0.000 0.000 0.284 658 R C -0.896 175.069 176.300 -0.558 0.000 0.998 658 R CA -0.928 54.827 56.100 -0.575 0.000 0.895 658 R CB 0.261 30.209 30.300 -0.588 0.000 1.195 658 R HN 0.206 nan 8.270 nan 0.000 0.450 659 W N 1.339 122.533 121.300 -0.176 0.000 2.480 659 W HA -0.072 4.588 4.660 0.000 0.000 0.257 659 W C 1.027 177.669 176.519 0.205 0.000 1.235 659 W CA 0.607 57.929 57.345 -0.039 0.000 1.218 659 W CB 0.197 29.527 29.460 -0.217 0.000 1.131 659 W HN 0.728 nan 8.180 nan 0.000 0.606 660 E N -1.349 119.000 120.200 0.248 0.000 2.481 660 E HA -0.123 4.227 4.350 0.000 0.000 0.195 660 E C 0.966 177.711 176.600 0.242 0.000 1.047 660 E CA 0.514 57.037 56.400 0.204 0.000 0.867 660 E CB -0.057 29.651 29.700 0.014 0.000 0.858 660 E HN 0.354 nan 8.360 nan 0.000 0.513 661 Y N -1.574 118.831 120.300 0.175 0.000 2.462 661 Y HA 0.110 4.660 4.550 0.000 0.000 0.261 661 Y C 0.447 176.474 175.900 0.211 0.000 1.146 661 Y CA -0.412 57.769 58.100 0.135 0.000 1.283 661 Y CB -0.282 38.203 38.460 0.043 0.000 1.090 661 Y HN 0.003 nan 8.280 nan 0.000 0.526 662 Y N 1.880 122.361 120.300 0.301 0.000 2.458 662 Y HA 0.308 4.858 4.550 0.000 0.000 0.322 662 Y C 0.362 176.489 175.900 0.378 0.000 1.259 662 Y CA -2.110 56.172 58.100 0.303 0.000 1.302 662 Y CB 0.436 39.092 38.460 0.327 0.000 1.314 662 Y HN 0.193 nan 8.280 nan 0.000 0.509 663 D N -0.501 119.630 120.400 -0.449 0.000 2.378 663 D HA 0.054 4.694 4.640 0.000 0.000 0.238 663 D C 0.962 177.271 176.300 0.015 0.000 1.180 663 D CA 0.475 54.291 54.000 -0.306 0.000 0.895 663 D CB 0.795 41.220 40.800 -0.624 0.000 1.192 663 D HN 0.482 nan 8.370 nan 0.000 0.438 664 S N 0.911 116.617 115.700 0.010 0.000 2.355 664 S HA -0.202 4.268 4.470 0.000 0.000 0.222 664 S C 1.934 176.576 174.600 0.069 0.000 1.031 664 S CA 1.094 59.349 58.200 0.092 0.000 0.993 664 S CB -0.979 62.281 63.200 0.099 0.000 0.859 664 S HN 0.429 nan 8.310 nan 0.000 0.453 665 V N 0.858 120.749 119.914 -0.039 0.000 2.287 665 V HA -0.183 3.937 4.120 0.000 0.000 0.248 665 V C 2.332 178.358 176.094 -0.114 0.000 1.053 665 V CA 2.300 64.486 62.300 -0.190 0.000 1.027 665 V CB -1.093 30.459 31.823 -0.451 0.000 0.646 665 V HN 0.624 nan 8.190 nan 0.000 0.447 666 Y N 1.195 121.450 120.300 -0.075 0.000 2.176 666 Y HA -0.176 4.374 4.550 0.000 0.000 0.291 666 Y C 2.703 178.577 175.900 -0.044 0.000 1.122 666 Y CA 2.162 60.272 58.100 0.017 0.000 1.128 666 Y CB -0.665 38.025 38.460 0.383 0.000 1.005 666 Y HN 0.208 nan 8.280 nan 0.000 0.509 667 T N 0.734 115.568 114.554 0.466 0.000 2.622 667 T HA -0.233 4.117 4.350 0.000 0.000 0.266 667 T C 1.580 176.268 174.700 -0.020 0.000 1.047 667 T CA 2.097 64.372 62.100 0.293 0.000 1.159 667 T CB -0.422 68.735 68.868 0.482 0.000 0.863 667 T HN 0.458 nan 8.240 nan 0.000 0.422 668 E N 0.644 120.869 120.200 0.042 0.000 2.160 668 E HA -0.176 4.174 4.350 0.000 0.000 0.195 668 E C 2.332 178.821 176.600 -0.185 0.000 0.991 668 E CA 0.743 57.150 56.400 0.012 0.000 0.810 668 E CB -0.201 29.546 29.700 0.079 0.000 0.742 668 E HN 0.353 nan 8.360 nan 0.000 0.466 669 R N 0.113 120.345 120.500 -0.447 0.000 2.139 669 R HA -0.200 4.140 4.340 0.000 0.000 0.243 669 R C 1.218 176.988 176.300 -0.883 0.000 1.145 669 R CA 1.629 57.274 56.100 -0.758 0.000 0.976 669 R CB 0.010 29.544 30.300 -1.276 0.000 0.866 669 R HN 0.248 nan 8.270 nan 0.000 0.449 670 Y N -2.527 117.501 120.300 -0.453 0.000 2.535 670 Y HA 0.220 4.770 4.550 0.000 0.000 0.264 670 Y C 1.758 177.503 175.900 -0.258 0.000 1.087 670 Y CA -0.099 57.735 58.100 -0.443 0.000 1.285 670 Y CB 0.229 38.278 38.460 -0.685 0.000 1.200 670 Y HN -0.059 nan 8.280 nan 0.000 0.514 671 M N -0.307 119.195 119.600 -0.164 0.000 2.492 671 M HA 0.332 4.812 4.480 0.000 0.000 0.255 671 M C 1.317 177.662 176.300 0.074 0.000 1.139 671 M CA 0.991 56.202 55.300 -0.148 0.000 1.096 671 M CB -0.839 31.487 32.600 -0.456 0.000 1.360 671 M HN 0.404 nan 8.290 nan 0.000 0.480 672 G N 1.422 110.273 108.800 0.086 0.000 2.498 672 G HA2 -0.219 3.741 3.960 0.000 0.000 0.245 672 G HA3 -0.219 3.741 3.960 0.000 0.000 0.245 672 G C -0.867 174.164 174.900 0.218 0.000 1.204 672 G CA -0.664 44.515 45.100 0.132 0.000 0.933 672 G HN 0.281 nan 8.290 nan 0.000 0.574 673 L N 2.941 124.270 121.223 0.176 0.000 2.329 673 L HA 0.616 4.956 4.340 0.000 0.000 0.279 673 L C -1.492 175.354 176.870 -0.040 0.000 1.014 673 L CA -1.852 53.035 54.840 0.078 0.000 0.814 673 L CB 1.819 43.895 42.059 0.028 0.000 1.257 673 L HN 0.418 nan 8.230 nan 0.000 0.424 674 P HA 0.068 nan 4.420 nan 0.000 0.237 674 P C -0.621 176.525 177.300 -0.256 0.000 1.723 674 P CA -0.111 62.574 63.100 -0.692 0.000 0.882 674 P CB -0.552 30.522 31.700 -1.043 0.000 1.810 675 T N -3.282 111.207 114.554 -0.109 0.000 2.885 675 T HA 0.424 4.774 4.350 0.000 0.000 0.285 675 T C -1.842 172.853 174.700 -0.008 0.000 1.019 675 T CA -2.465 59.606 62.100 -0.049 0.000 1.010 675 T CB 2.064 70.916 68.868 -0.026 0.000 1.022 675 T HN -0.200 nan 8.240 nan 0.000 0.466 676 P HA -0.094 nan 4.420 nan 0.000 0.221 676 P C 0.668 177.983 177.300 0.024 0.000 1.145 676 P CA 1.114 64.224 63.100 0.017 0.000 0.795 676 P CB 0.215 31.922 31.700 0.012 0.000 0.775 677 E N -0.625 119.585 120.200 0.017 0.000 2.216 677 E HA -0.087 4.263 4.350 0.000 0.000 0.192 677 E C 1.725 178.342 176.600 0.029 0.000 0.988 677 E CA 0.786 57.197 56.400 0.018 0.000 0.834 677 E CB -0.369 29.337 29.700 0.010 0.000 0.772 677 E HN 0.287 nan 8.360 nan 0.000 0.479 678 D N -0.027 120.395 120.400 0.037 0.000 2.685 678 D HA 0.059 4.699 4.640 0.000 0.000 0.254 678 D C 0.327 176.681 176.300 0.090 0.000 1.414 678 D CA 0.333 54.367 54.000 0.057 0.000 1.145 678 D CB 0.025 40.860 40.800 0.058 0.000 0.941 678 D HN 0.017 nan 8.370 nan 0.000 0.250 679 N N -0.050 118.734 118.700 0.141 0.000 2.377 679 N HA 0.043 4.783 4.740 0.000 0.000 0.259 679 N C 1.181 176.887 175.510 0.327 0.000 1.332 679 N CA -0.137 53.047 53.050 0.222 0.000 0.877 679 N CB 0.692 39.334 38.487 0.258 0.000 1.299 679 N HN -0.004 nan 8.380 nan 0.000 0.501 680 L N 1.006 122.334 121.223 0.175 0.000 2.042 680 L HA -0.163 4.177 4.340 0.000 0.000 0.210 680 L C 1.608 178.599 176.870 0.202 0.000 1.076 680 L CA 2.001 56.916 54.840 0.126 0.000 0.749 680 L CB -0.457 41.611 42.059 0.014 0.000 0.893 680 L HN 0.232 nan 8.230 nan 0.000 0.432 681 D N -1.263 119.233 120.400 0.161 0.000 2.133 681 D HA -0.310 4.330 4.640 0.000 0.000 0.192 681 D C 1.916 178.328 176.300 0.187 0.000 1.001 681 D CA 2.099 56.186 54.000 0.144 0.000 0.844 681 D CB -0.142 40.729 40.800 0.118 0.000 0.944 681 D HN 0.583 nan 8.370 nan 0.000 0.447 682 H N -0.670 118.482 119.070 0.136 0.000 2.470 682 H HA -0.065 4.491 4.556 0.000 0.000 0.289 682 H C 1.651 177.062 175.328 0.138 0.000 1.033 682 H CA 1.004 57.112 56.048 0.100 0.000 1.331 682 H CB -0.222 29.566 29.762 0.044 0.000 1.414 682 H HN 0.157 nan 8.280 nan 0.000 0.545 683 Y N 0.324 120.635 120.300 0.017 0.000 2.165 683 Y HA -0.167 4.383 4.550 0.000 0.000 0.286 683 Y C 2.279 178.150 175.900 -0.048 0.000 1.155 683 Y CA 1.457 59.567 58.100 0.015 0.000 1.164 683 Y CB 0.131 38.626 38.460 0.057 0.000 0.978 683 Y HN 0.134 nan 8.280 nan 0.000 0.513 684 R N -0.396 120.179 120.500 0.125 0.000 2.236 684 R HA -0.046 4.294 4.340 0.000 0.000 0.208 684 R C 1.340 177.634 176.300 -0.011 0.000 1.036 684 R CA 0.557 56.680 56.100 0.040 0.000 1.001 684 R CB -0.578 29.748 30.300 0.044 0.000 0.896 684 R HN 0.402 nan 8.270 nan 0.000 0.464 685 N N 0.753 119.425 118.700 -0.047 0.000 2.353 685 N HA -0.035 4.705 4.740 0.000 0.000 0.185 685 N C 0.229 175.672 175.510 -0.113 0.000 1.098 685 N CA 0.413 53.430 53.050 -0.054 0.000 0.872 685 N CB 0.480 38.972 38.487 0.008 0.000 0.970 685 N HN 0.119 nan 8.380 nan 0.000 0.467 686 S N -0.686 114.903 115.700 -0.184 0.000 2.574 686 S HA 0.071 4.541 4.470 0.000 0.000 0.242 686 S C 0.690 175.300 174.600 0.017 0.000 0.982 686 S CA -0.694 57.451 58.200 -0.092 0.000 0.977 686 S CB -0.143 62.966 63.200 -0.151 0.000 0.814 686 S HN 0.187 nan 8.310 nan 0.000 0.464 687 T N -1.381 113.150 114.554 -0.039 0.000 2.849 687 T HA 0.497 4.847 4.350 0.000 0.000 0.284 687 T C 1.173 175.859 174.700 -0.024 0.000 1.004 687 T CA -0.542 61.523 62.100 -0.060 0.000 1.021 687 T CB 1.213 70.027 68.868 -0.089 0.000 1.013 687 T HN -0.029 nan 8.240 nan 0.000 0.527 688 V N 1.536 121.435 119.914 -0.025 0.000 3.052 688 V HA -0.051 4.069 4.120 0.000 0.000 0.254 688 V C 2.522 178.612 176.094 -0.008 0.000 1.100 688 V CA 0.690 62.986 62.300 -0.006 0.000 1.112 688 V CB -0.704 31.113 31.823 -0.010 0.000 0.738 688 V HN 0.809 nan 8.190 nan 0.000 0.469 689 M N 1.117 120.692 119.600 -0.042 0.000 2.213 689 M HA -0.089 4.391 4.480 0.000 0.000 0.263 689 M C 2.336 178.626 176.300 -0.017 0.000 1.062 689 M CA 1.967 57.239 55.300 -0.048 0.000 1.105 689 M CB -1.745 30.829 32.600 -0.044 0.000 1.385 689 M HN 0.570 nan 8.290 nan 0.000 0.417 690 S N 0.315 116.008 115.700 -0.011 0.000 2.555 690 S HA -0.011 4.459 4.470 0.000 0.000 0.230 690 S C 1.727 176.332 174.600 0.009 0.000 0.978 690 S CA 0.408 58.606 58.200 -0.004 0.000 0.934 690 S CB -0.348 62.845 63.200 -0.012 0.000 0.766 690 S HN 0.568 nan 8.310 nan 0.000 0.533 691 R N 0.034 120.554 120.500 0.034 0.000 2.437 691 R HA 0.466 4.806 4.340 0.000 0.000 0.257 691 R C 2.183 178.579 176.300 0.159 0.000 0.927 691 R CA 0.439 56.566 56.100 0.044 0.000 1.078 691 R CB -0.139 30.157 30.300 -0.007 0.000 1.161 691 R HN 0.432 nan 8.270 nan 0.000 0.529 692 A N 1.653 124.565 122.820 0.154 0.000 1.915 692 A HA -0.317 4.003 4.320 0.000 0.000 0.220 692 A C 2.025 179.722 177.584 0.188 0.000 1.198 692 A CA 2.141 54.274 52.037 0.160 0.000 0.647 692 A CB -0.337 18.663 19.000 -0.001 0.000 0.825 692 A HN 0.280 nan 8.150 nan 0.000 0.456 693 E N 0.442 120.702 120.200 0.100 0.000 2.118 693 E HA -0.190 4.160 4.350 0.000 0.000 0.195 693 E C 1.519 178.162 176.600 0.071 0.000 0.992 693 E CA 1.893 58.338 56.400 0.075 0.000 0.804 693 E CB -0.489 29.236 29.700 0.041 0.000 0.741 693 E HN 0.748 nan 8.360 nan 0.000 0.458 694 N N -1.063 117.656 118.700 0.032 0.000 2.512 694 N HA -0.021 4.719 4.740 0.000 0.000 0.183 694 N C 0.613 176.071 175.510 -0.087 0.000 1.073 694 N CA 0.325 53.345 53.050 -0.050 0.000 0.911 694 N CB -0.129 38.279 38.487 -0.132 0.000 0.964 694 N HN 0.133 nan 8.380 nan 0.000 0.447 695 F N 1.169 121.079 119.950 -0.067 0.000 2.641 695 F HA 0.025 4.552 4.527 0.000 0.000 0.298 695 F C 1.640 177.448 175.800 0.012 0.000 1.146 695 F CA 0.733 58.687 58.000 -0.075 0.000 1.464 695 F CB 0.057 38.960 39.000 -0.162 0.000 1.101 695 F HN -0.026 nan 8.300 nan 0.000 0.585 696 K N -0.232 120.265 120.400 0.161 0.000 2.504 696 K HA -0.093 4.227 4.320 0.000 0.000 0.195 696 K C 1.274 177.938 176.600 0.107 0.000 1.036 696 K CA 0.674 57.043 56.287 0.137 0.000 0.984 696 K CB -0.078 32.482 32.500 0.100 0.000 0.788 696 K HN 0.403 nan 8.250 nan 0.000 0.488 697 Q N 0.314 120.158 119.800 0.074 0.000 2.319 697 Q HA 0.063 4.403 4.340 0.000 0.000 0.202 697 Q C -0.064 175.986 176.000 0.083 0.000 0.896 697 Q CA -0.140 55.699 55.803 0.060 0.000 0.942 697 Q CB 0.923 29.674 28.738 0.022 0.000 1.083 697 Q HN 0.087 nan 8.270 nan 0.000 0.510 698 V N -3.484 116.504 119.914 0.123 0.000 3.114 698 V HA 0.446 4.566 4.120 0.000 0.000 0.308 698 V C -1.206 175.054 176.094 0.277 0.000 1.168 698 V CA -1.279 61.126 62.300 0.174 0.000 1.015 698 V CB 2.320 34.229 31.823 0.142 0.000 1.050 698 V HN -0.021 nan 8.190 nan 0.000 0.433 699 E N 2.102 122.485 120.200 0.305 0.000 2.152 699 E HA 0.352 4.702 4.350 0.000 0.000 0.285 699 E C -1.723 175.255 176.600 0.630 0.000 1.043 699 E CA -0.253 56.394 56.400 0.412 0.000 0.839 699 E CB 1.355 31.235 29.700 0.301 0.000 1.069 699 E HN 0.674 nan 8.360 nan 0.000 0.399 700 Y N 3.515 124.075 120.300 0.433 0.000 2.409 700 Y HA 0.425 4.975 4.550 0.000 0.000 0.339 700 Y C -1.151 174.836 175.900 0.146 0.000 1.033 700 Y CA -1.256 57.049 58.100 0.341 0.000 1.094 700 Y CB 0.982 39.638 38.460 0.326 0.000 1.210 700 Y HN 0.401 nan 8.280 nan 0.000 0.456 701 L N 7.943 128.825 121.223 -0.568 0.000 2.372 701 L HA 0.444 4.784 4.340 0.000 0.000 0.273 701 L C -1.838 174.555 176.870 -0.795 0.000 0.989 701 L CA -0.640 53.740 54.840 -0.766 0.000 0.841 701 L CB 1.040 42.326 42.059 -1.288 0.000 1.225 701 L HN 0.630 nan 8.230 nan 0.000 0.414 702 L N 6.032 126.909 121.223 -0.578 0.000 2.295 702 L HA 0.616 4.956 4.340 0.000 0.000 0.285 702 L C -0.811 175.964 176.870 -0.158 0.000 1.035 702 L CA -0.487 54.102 54.840 -0.418 0.000 0.806 702 L CB 1.776 43.682 42.059 -0.254 0.000 1.214 702 L HN 0.615 nan 8.230 nan 0.000 0.426 703 I N 2.921 123.413 120.570 -0.130 0.000 2.802 703 I HA 0.449 4.619 4.170 0.000 0.000 0.298 703 I C -1.212 174.924 176.117 0.031 0.000 1.176 703 I CA -0.745 60.540 61.300 -0.025 0.000 1.025 703 I CB 2.585 40.522 38.000 -0.105 0.000 1.243 703 I HN 0.633 nan 8.210 nan 0.000 0.424 704 H N 1.480 120.627 119.070 0.128 0.000 3.081 704 H HA 0.430 4.986 4.556 0.000 0.000 0.322 704 H C -0.696 174.844 175.328 0.353 0.000 1.266 704 H CA -0.689 55.471 56.048 0.187 0.000 1.279 704 H CB 1.850 31.736 29.762 0.207 0.000 1.954 704 H HN 0.779 nan 8.280 nan 0.000 0.530 705 G N 0.828 110.006 108.800 0.629 0.000 2.372 705 G HA2 0.250 4.210 3.960 0.000 0.000 0.283 705 G HA3 0.250 4.210 3.960 0.000 0.000 0.283 705 G C 1.113 176.195 174.900 0.302 0.000 1.177 705 G CA 0.120 45.480 45.100 0.432 0.000 0.842 705 G HN 0.716 nan 8.290 nan 0.000 0.503 706 T N -0.779 113.806 114.554 0.050 0.000 3.035 706 T HA 0.109 4.459 4.350 0.000 0.000 0.268 706 T C 1.550 176.205 174.700 -0.076 0.000 1.109 706 T CA 1.170 63.109 62.100 -0.269 0.000 1.119 706 T CB 0.215 68.865 68.868 -0.363 0.000 0.900 706 T HN 0.703 nan 8.240 nan 0.000 0.503 707 A N 0.919 123.773 122.820 0.057 0.000 2.713 707 A HA 0.339 4.659 4.320 0.000 0.000 0.296 707 A C 0.235 177.815 177.584 -0.007 0.000 1.255 707 A CA -0.550 51.541 52.037 0.089 0.000 0.955 707 A CB -0.104 19.185 19.000 0.481 0.000 1.149 707 A HN 0.346 nan 8.150 nan 0.000 0.538 708 D N 1.451 121.834 120.400 -0.029 0.000 2.338 708 D HA 0.023 4.663 4.640 0.000 0.000 0.255 708 D C 0.390 176.660 176.300 -0.051 0.000 1.237 708 D CA 0.048 54.129 54.000 0.136 0.000 0.883 708 D CB 0.804 41.829 40.800 0.375 0.000 1.087 708 D HN 0.542 nan 8.370 nan 0.000 0.485 709 D N 2.471 122.901 120.400 0.051 0.000 2.277 709 D HA -0.129 4.511 4.640 0.000 0.000 0.208 709 D C 1.078 177.320 176.300 -0.097 0.000 0.962 709 D CA 0.286 54.257 54.000 -0.048 0.000 0.865 709 D CB 0.194 40.919 40.800 -0.125 0.000 0.939 709 D HN 0.422 nan 8.370 nan 0.000 0.510 710 N N 0.165 118.933 118.700 0.113 0.000 2.220 710 N HA -0.047 4.693 4.740 0.000 0.000 0.193 710 N C -0.115 175.317 175.510 -0.131 0.000 1.052 710 N CA 0.447 53.605 53.050 0.179 0.000 0.898 710 N CB 0.529 39.138 38.487 0.203 0.000 1.080 710 N HN -0.162 nan 8.380 nan 0.000 0.467 711 V N 3.056 122.988 119.914 0.030 0.000 2.304 711 V HA 0.150 4.270 4.120 0.000 0.000 0.262 711 V C -0.614 175.554 176.094 0.124 0.000 1.061 711 V CA -0.450 61.895 62.300 0.075 0.000 0.872 711 V CB -0.039 31.901 31.823 0.196 0.000 1.077 711 V HN 0.360 nan 8.190 nan 0.000 0.480 712 H N 3.167 122.236 119.070 -0.001 0.000 2.998 712 H HA -0.046 4.510 4.556 0.000 0.000 0.353 712 H C 0.877 176.019 175.328 -0.309 0.000 1.099 712 H CA 0.059 55.998 56.048 -0.182 0.000 1.393 712 H CB 0.605 30.179 29.762 -0.313 0.000 1.343 712 H HN 0.595 nan 8.280 nan 0.000 0.609 713 F N 1.644 121.338 119.950 -0.425 0.000 2.216 713 F HA -0.219 4.308 4.527 0.000 0.000 0.300 713 F C 2.562 178.123 175.800 -0.398 0.000 1.085 713 F CA 1.642 59.237 58.000 -0.674 0.000 1.326 713 F CB -0.146 38.628 39.000 -0.377 0.000 1.027 713 F HN 0.635 nan 8.300 nan 0.000 0.497 714 Q N 0.240 119.869 119.800 -0.284 0.000 2.133 714 Q HA -0.302 4.038 4.340 0.000 0.000 0.208 714 Q C 2.052 177.804 176.000 -0.413 0.000 0.991 714 Q CA 2.266 57.855 55.803 -0.357 0.000 0.867 714 Q CB -0.379 28.127 28.738 -0.386 0.000 0.911 714 Q HN 0.572 nan 8.270 nan 0.000 0.417 715 Q N -0.305 119.318 119.800 -0.294 0.000 2.096 715 Q HA -0.121 4.219 4.340 0.000 0.000 0.204 715 Q C 2.182 178.115 176.000 -0.111 0.000 0.982 715 Q CA 1.746 57.500 55.803 -0.082 0.000 0.850 715 Q CB -0.071 28.713 28.738 0.076 0.000 0.901 715 Q HN 0.330 nan 8.270 nan 0.000 0.422 716 S N 0.335 115.897 115.700 -0.230 0.000 2.470 716 S HA 0.057 4.527 4.470 0.000 0.000 0.225 716 S C 1.927 176.295 174.600 -0.387 0.000 1.006 716 S CA 0.559 58.619 58.200 -0.234 0.000 0.934 716 S CB 0.059 63.163 63.200 -0.161 0.000 0.778 716 S HN 0.437 nan 8.310 nan 0.000 0.517 717 A N 1.429 123.910 122.820 -0.566 0.000 1.930 717 A HA -0.101 4.219 4.320 0.000 0.000 0.217 717 A C 2.115 179.570 177.584 -0.216 0.000 1.175 717 A CA 1.042 52.818 52.037 -0.434 0.000 0.627 717 A CB -0.370 18.383 19.000 -0.411 0.000 0.815 717 A HN 0.333 nan 8.150 nan 0.000 0.443 718 Q N -0.379 119.318 119.800 -0.171 0.000 2.230 718 Q HA -0.002 4.338 4.340 0.000 0.000 0.202 718 Q C 2.086 178.033 176.000 -0.089 0.000 0.963 718 Q CA 0.898 56.660 55.803 -0.069 0.000 0.866 718 Q CB -0.303 28.473 28.738 0.064 0.000 0.931 718 Q HN 0.778 nan 8.270 nan 0.000 0.452 719 I N 0.979 121.469 120.570 -0.133 0.000 2.133 719 I HA -0.273 3.897 4.170 0.000 0.000 0.238 719 I C 2.513 178.465 176.117 -0.276 0.000 1.074 719 I CA 1.434 62.613 61.300 -0.202 0.000 1.342 719 I CB -0.517 37.365 38.000 -0.197 0.000 1.053 719 I HN 0.188 nan 8.210 nan 0.000 0.404 720 S N 1.085 116.647 115.700 -0.230 0.000 2.359 720 S HA -0.311 4.159 4.470 0.000 0.000 0.224 720 S C 2.015 176.589 174.600 -0.044 0.000 1.035 720 S CA 1.700 59.811 58.200 -0.149 0.000 1.018 720 S CB -0.567 62.697 63.200 0.107 0.000 0.876 720 S HN 0.359 nan 8.310 nan 0.000 0.448 721 K N 1.862 122.235 120.400 -0.046 0.000 2.063 721 K HA -0.039 4.281 4.320 0.000 0.000 0.208 721 K C 2.300 178.882 176.600 -0.029 0.000 1.048 721 K CA 1.293 57.570 56.287 -0.018 0.000 0.928 721 K CB -0.723 31.760 32.500 -0.028 0.000 0.713 721 K HN 0.456 nan 8.250 nan 0.000 0.442 722 A N 0.931 123.708 122.820 -0.072 0.000 1.933 722 A HA -0.101 4.219 4.320 0.000 0.000 0.218 722 A C 2.099 179.637 177.584 -0.075 0.000 1.175 722 A CA 1.306 53.301 52.037 -0.070 0.000 0.628 722 A CB -0.579 18.367 19.000 -0.091 0.000 0.814 722 A HN 0.327 nan 8.150 nan 0.000 0.444 723 L N -0.538 120.597 121.223 -0.147 0.000 2.046 723 L HA -0.149 4.191 4.340 0.000 0.000 0.208 723 L C 2.459 179.361 176.870 0.053 0.000 1.077 723 L CA 0.986 55.754 54.840 -0.119 0.000 0.747 723 L CB -0.544 41.297 42.059 -0.364 0.000 0.896 723 L HN 0.239 nan 8.230 nan 0.000 0.432 724 V N -0.370 119.601 119.914 0.096 0.000 2.515 724 V HA -0.258 3.862 4.120 0.000 0.000 0.250 724 V C 2.025 178.157 176.094 0.063 0.000 1.058 724 V CA 1.675 64.045 62.300 0.117 0.000 1.064 724 V CB -0.525 31.364 31.823 0.110 0.000 0.675 724 V HN 0.415 nan 8.190 nan 0.000 0.461 725 D N 0.563 120.985 120.400 0.036 0.000 2.117 725 D HA -0.110 4.530 4.640 0.000 0.000 0.198 725 D C 1.932 178.250 176.300 0.030 0.000 0.982 725 D CA 1.777 55.793 54.000 0.026 0.000 0.828 725 D CB -0.216 40.592 40.800 0.012 0.000 0.967 725 D HN 0.537 nan 8.370 nan 0.000 0.464 726 V N -2.628 117.305 119.914 0.032 0.000 3.633 726 V HA 0.422 4.542 4.120 0.000 0.000 0.283 726 V C 1.096 177.223 176.094 0.056 0.000 1.305 726 V CA 0.315 62.638 62.300 0.039 0.000 1.153 726 V CB -0.498 31.348 31.823 0.037 0.000 0.950 726 V HN 0.178 nan 8.190 nan 0.000 0.432 727 G N 0.377 109.216 108.800 0.065 0.000 2.359 727 G HA2 -0.145 3.815 3.960 0.000 0.000 0.298 727 G HA3 -0.145 3.815 3.960 0.000 0.000 0.298 727 G C -0.215 174.749 174.900 0.106 0.000 1.030 727 G CA 0.541 45.689 45.100 0.080 0.000 1.149 727 G HN 1.635 nan 8.290 nan 0.000 0.512 728 V N 0.384 120.386 119.914 0.147 0.000 2.409 728 V HA 0.658 4.778 4.120 0.000 0.000 0.291 728 V C 0.019 176.299 176.094 0.310 0.000 1.020 728 V CA -0.745 61.671 62.300 0.194 0.000 0.848 728 V CB 1.750 33.681 31.823 0.179 0.000 0.990 728 V HN 0.460 nan 8.190 nan 0.000 0.430 729 D N 6.051 126.595 120.400 0.240 0.000 2.350 729 D HA 0.518 5.158 4.640 0.000 0.000 0.249 729 D C -0.507 175.990 176.300 0.327 0.000 1.119 729 D CA 0.392 54.509 54.000 0.195 0.000 0.886 729 D CB 0.669 41.529 40.800 0.099 0.000 1.195 729 D HN 0.569 nan 8.370 nan 0.000 0.437 730 F N 0.265 120.278 119.950 0.105 0.000 2.745 730 F HA 0.503 5.030 4.527 0.000 0.000 0.316 730 F C -1.321 174.516 175.800 0.062 0.000 1.155 730 F CA -1.179 56.898 58.000 0.129 0.000 0.937 730 F CB 0.733 39.838 39.000 0.175 0.000 1.361 730 F HN 0.049 nan 8.300 nan 0.000 0.472 731 Q N 1.323 121.172 119.800 0.081 0.000 2.245 731 Q HA 0.780 5.120 4.340 0.000 0.000 0.256 731 Q C -0.804 175.177 176.000 -0.032 0.000 0.942 731 Q CA -0.632 55.131 55.803 -0.067 0.000 0.896 731 Q CB 1.901 30.599 28.738 -0.066 0.000 1.272 731 Q HN 1.010 nan 8.270 nan 0.000 0.442 732 A N 2.127 124.906 122.820 -0.069 0.000 2.454 732 A HA 0.867 5.187 4.320 0.000 0.000 0.302 732 A C -1.205 176.360 177.584 -0.033 0.000 1.079 732 A CA -0.573 51.480 52.037 0.027 0.000 0.731 732 A CB 1.813 20.879 19.000 0.110 0.000 1.299 732 A HN 0.618 nan 8.150 nan 0.000 0.413 733 M N 1.619 121.198 119.600 -0.035 0.000 2.294 733 M HA 0.580 5.060 4.480 0.000 0.000 0.280 733 M C -2.076 174.155 176.300 -0.115 0.000 1.085 733 M CA -0.481 54.669 55.300 -0.250 0.000 0.969 733 M CB 1.345 33.727 32.600 -0.362 0.000 1.770 733 M HN 0.965 nan 8.290 nan 0.000 0.485 734 W N 4.583 125.715 121.300 -0.280 0.000 2.706 734 W HA 0.792 5.452 4.660 0.000 0.000 0.346 734 W C -2.225 173.996 176.519 -0.495 0.000 1.071 734 W CA -0.979 56.266 57.345 -0.167 0.000 1.206 734 W CB 0.641 30.037 29.460 -0.107 0.000 1.413 734 W HN 0.606 nan 8.180 nan 0.000 0.542 735 Y N 2.662 123.020 120.300 0.096 0.000 2.464 735 Y HA 0.300 4.850 4.550 0.000 0.000 0.326 735 Y C 0.606 176.562 175.900 0.092 0.000 0.969 735 Y CA -1.015 57.069 58.100 -0.027 0.000 1.270 735 Y CB 1.325 39.767 38.460 -0.030 0.000 1.103 735 Y HN 0.429 nan 8.280 nan 0.000 0.491 736 T N 4.723 119.379 114.554 0.169 0.000 2.765 736 T HA -0.099 4.251 4.350 0.000 0.000 0.275 736 T C 0.280 175.012 174.700 0.052 0.000 1.007 736 T CA 0.840 63.008 62.100 0.114 0.000 1.175 736 T CB -0.212 68.673 68.868 0.028 0.000 0.993 736 T HN 0.702 nan 8.240 nan 0.000 0.510 737 D N 1.069 121.455 120.400 -0.024 0.000 2.983 737 D HA -0.129 4.511 4.640 0.000 0.000 0.225 737 D C 0.197 176.574 176.300 0.128 0.000 1.174 737 D CA 1.067 54.959 54.000 -0.181 0.000 0.831 737 D CB -0.317 40.157 40.800 -0.543 0.000 1.104 737 D HN 0.589 nan 8.370 nan 0.000 0.421 738 E N 0.966 121.281 120.200 0.191 0.000 2.231 738 E HA 0.277 4.627 4.350 0.000 0.000 0.277 738 E C 0.708 177.481 176.600 0.288 0.000 0.999 738 E CA -0.438 56.107 56.400 0.243 0.000 0.827 738 E CB 1.387 31.222 29.700 0.226 0.000 1.101 738 E HN 0.273 nan 8.360 nan 0.000 0.393 739 D N 0.070 120.661 120.400 0.318 0.000 2.453 739 D HA -0.041 4.599 4.640 0.000 0.000 0.282 739 D C 1.138 177.672 176.300 0.390 0.000 1.222 739 D CA -0.098 54.119 54.000 0.360 0.000 1.079 739 D CB -0.031 41.006 40.800 0.395 0.000 1.128 739 D HN 0.462 nan 8.370 nan 0.000 0.568 740 H N -1.526 117.745 119.070 0.335 0.000 2.422 740 H HA 0.030 4.586 4.556 0.000 0.000 0.298 740 H C 1.998 177.617 175.328 0.485 0.000 1.098 740 H CA 2.309 58.588 56.048 0.386 0.000 1.315 740 H CB -0.446 29.526 29.762 0.351 0.000 1.382 740 H HN 0.486 nan 8.280 nan 0.000 0.523 741 G N -0.001 109.004 108.800 0.341 0.000 2.430 741 G HA2 -0.075 3.885 3.960 0.000 0.000 0.216 741 G HA3 -0.075 3.885 3.960 0.000 0.000 0.216 741 G C 0.863 175.944 174.900 0.302 0.000 1.146 741 G CA 0.466 45.692 45.100 0.210 0.000 0.793 741 G HN 0.561 nan 8.290 nan 0.000 0.537 742 I N -0.021 120.725 120.570 0.294 0.000 6.450 742 I HA -0.334 3.836 4.170 0.000 0.000 0.126 742 I C 1.747 177.973 176.117 0.181 0.000 1.777 742 I CA 0.109 61.528 61.300 0.199 0.000 2.236 742 I CB -1.262 36.835 38.000 0.163 0.000 3.397 742 I HN 0.273 nan 8.210 nan 0.000 0.226 743 A N 0.512 123.434 122.820 0.169 0.000 2.238 743 A HA 0.185 4.505 4.320 0.000 0.000 0.210 743 A C 1.317 178.962 177.584 0.101 0.000 1.179 743 A CA 0.681 52.796 52.037 0.132 0.000 0.827 743 A CB 0.004 19.046 19.000 0.069 0.000 0.856 743 A HN 0.680 nan 8.150 nan 0.000 0.488 744 S N 0.855 116.621 115.700 0.110 0.000 2.558 744 S HA 0.104 4.574 4.470 0.000 0.000 0.291 744 S C 1.404 176.059 174.600 0.092 0.000 1.306 744 S CA 0.330 58.585 58.200 0.093 0.000 1.056 744 S CB 0.567 63.828 63.200 0.102 0.000 0.836 744 S HN 0.986 nan 8.310 nan 0.000 0.504 745 S N 3.155 118.891 115.700 0.061 0.000 2.380 745 S HA -0.287 4.183 4.470 0.000 0.000 0.229 745 S C 2.043 176.700 174.600 0.096 0.000 1.050 745 S CA 2.048 60.283 58.200 0.058 0.000 1.100 745 S CB -2.326 60.890 63.200 0.027 0.000 0.984 745 S HN 1.161 nan 8.310 nan 0.000 0.434 746 T N 1.113 115.714 114.554 0.077 0.000 2.708 746 T HA 0.127 4.477 4.350 0.000 0.000 0.266 746 T C 2.099 176.859 174.700 0.101 0.000 1.037 746 T CA 1.382 63.531 62.100 0.082 0.000 1.146 746 T CB -1.167 67.738 68.868 0.062 0.000 0.865 746 T HN 0.668 nan 8.240 nan 0.000 0.435 747 A N 1.846 124.712 122.820 0.076 0.000 1.883 747 A HA -0.188 4.132 4.320 0.000 0.000 0.217 747 A C 2.224 179.778 177.584 -0.050 0.000 1.186 747 A CA 2.335 54.371 52.037 -0.001 0.000 0.624 747 A CB -1.413 17.567 19.000 -0.033 0.000 0.822 747 A HN 0.824 nan 8.150 nan 0.000 0.444 748 H N -0.267 118.785 119.070 -0.030 0.000 2.352 748 H HA -0.158 4.398 4.556 0.000 0.000 0.299 748 H C 2.097 177.470 175.328 0.074 0.000 1.097 748 H CA 2.323 58.389 56.048 0.030 0.000 1.311 748 H CB -0.170 29.623 29.762 0.052 0.000 1.377 748 H HN 0.607 nan 8.280 nan 0.000 0.504 749 Q N -0.994 118.815 119.800 0.016 0.000 2.123 749 Q HA -0.168 4.172 4.340 0.000 0.000 0.199 749 Q C 2.148 178.121 176.000 -0.045 0.000 0.966 749 Q CA 1.129 56.904 55.803 -0.046 0.000 0.845 749 Q CB -0.159 28.598 28.738 0.032 0.000 0.907 749 Q HN 0.656 nan 8.270 nan 0.000 0.439 750 H N 0.952 119.985 119.070 -0.062 0.000 2.357 750 H HA -0.066 4.490 4.556 0.000 0.000 0.301 750 H C 1.992 177.298 175.328 -0.036 0.000 1.082 750 H CA 1.230 57.271 56.048 -0.011 0.000 1.342 750 H CB 0.047 29.857 29.762 0.080 0.000 1.389 750 H HN 0.279 nan 8.280 nan 0.000 0.511 751 I N 0.019 120.525 120.570 -0.105 0.000 2.202 751 I HA -0.310 3.861 4.170 0.000 0.000 0.242 751 I C 1.767 177.645 176.117 -0.397 0.000 1.091 751 I CA 1.175 62.325 61.300 -0.249 0.000 1.368 751 I CB -0.324 37.340 38.000 -0.561 0.000 1.058 751 I HN 0.106 nan 8.210 nan 0.000 0.410 752 Y N 1.135 121.200 120.300 -0.391 0.000 2.403 752 Y HA -0.206 4.344 4.550 0.000 0.000 0.291 752 Y C 2.682 178.383 175.900 -0.332 0.000 1.143 752 Y CA 1.749 59.520 58.100 -0.549 0.000 1.257 752 Y CB -0.863 37.275 38.460 -0.537 0.000 0.984 752 Y HN 0.198 nan 8.280 nan 0.000 0.550 753 T N -1.904 112.566 114.554 -0.140 0.000 2.770 753 T HA -0.182 4.168 4.350 0.000 0.000 0.263 753 T C 1.572 176.128 174.700 -0.241 0.000 1.039 753 T CA 1.671 63.654 62.100 -0.195 0.000 1.142 753 T CB -0.383 68.369 68.868 -0.193 0.000 0.868 753 T HN 0.406 nan 8.240 nan 0.000 0.435 754 H N 0.678 119.607 119.070 -0.236 0.000 2.293 754 H HA 0.109 4.665 4.556 0.000 0.000 0.300 754 H C 2.278 177.583 175.328 -0.037 0.000 1.082 754 H CA 1.693 57.685 56.048 -0.093 0.000 1.308 754 H CB -0.313 29.386 29.762 -0.106 0.000 1.375 754 H HN 0.166 nan 8.280 nan 0.000 0.495 755 M N -0.576 118.981 119.600 -0.071 0.000 2.144 755 M HA -0.222 4.258 4.480 0.000 0.000 0.260 755 M C 2.309 178.714 176.300 0.175 0.000 1.067 755 M CA 1.910 57.155 55.300 -0.092 0.000 1.095 755 M CB 0.039 32.331 32.600 -0.513 0.000 1.365 755 M HN 0.247 nan 8.290 nan 0.000 0.406 756 S N -0.863 114.953 115.700 0.194 0.000 2.356 756 S HA -0.166 4.304 4.470 0.000 0.000 0.223 756 S C 1.653 176.333 174.600 0.133 0.000 1.032 756 S CA 1.055 59.446 58.200 0.319 0.000 1.005 756 S CB -0.683 62.692 63.200 0.291 0.000 0.867 756 S HN 0.538 nan 8.310 nan 0.000 0.449 757 H N 0.060 119.189 119.070 0.100 0.000 2.352 757 H HA -0.069 4.487 4.556 0.000 0.000 0.299 757 H C 1.970 177.316 175.328 0.029 0.000 1.097 757 H CA 1.308 57.376 56.048 0.032 0.000 1.311 757 H CB -0.740 28.994 29.762 -0.046 0.000 1.377 757 H HN 0.408 nan 8.280 nan 0.000 0.504 758 F N 1.409 121.348 119.950 -0.018 0.000 2.069 758 F HA -0.209 4.318 4.527 0.000 0.000 0.298 758 F C 2.362 178.124 175.800 -0.064 0.000 1.113 758 F CA 1.004 58.968 58.000 -0.061 0.000 1.214 758 F CB -0.445 38.501 39.000 -0.089 0.000 0.978 758 F HN -0.040 nan 8.300 nan 0.000 0.474 759 I N 0.774 121.328 120.570 -0.027 0.000 2.179 759 I HA -0.289 3.881 4.170 0.000 0.000 0.242 759 I C 2.272 178.193 176.117 -0.326 0.000 1.088 759 I CA 1.517 62.636 61.300 -0.302 0.000 1.357 759 I CB -1.308 36.607 38.000 -0.142 0.000 1.051 759 I HN 0.232 nan 8.210 nan 0.000 0.409 760 K N 0.248 120.604 120.400 -0.072 0.000 2.057 760 K HA -0.227 4.093 4.320 0.000 0.000 0.207 760 K C 2.003 178.594 176.600 -0.016 0.000 1.049 760 K CA 1.054 57.351 56.287 0.017 0.000 0.931 760 K CB -0.362 32.198 32.500 0.099 0.000 0.714 760 K HN 0.389 nan 8.250 nan 0.000 0.440 761 Q N 1.332 121.091 119.800 -0.069 0.000 2.084 761 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 761 Q C 2.215 178.128 176.000 -0.145 0.000 0.978 761 Q CA 1.591 57.342 55.803 -0.087 0.000 0.844 761 Q CB -0.414 28.268 28.738 -0.094 0.000 0.898 761 Q HN 0.392 nan 8.270 nan 0.000 0.426 762 c N 0.002 118.407 118.600 -0.324 0.000 2.446 762 c HA -0.019 4.551 4.570 0.000 0.000 0.279 762 c C 2.001 176.076 174.090 -0.025 0.000 1.366 762 c CA 0.185 56.323 56.329 -0.318 0.000 1.763 762 c CB -1.186 40.946 42.510 -0.630 0.000 1.929 762 c HN 0.500 nan 8.230 nan 0.000 0.509 763 F N 1.220 121.130 119.950 -0.067 0.000 2.695 763 F HA 0.275 4.802 4.527 0.000 0.000 0.303 763 F C 1.634 177.420 175.800 -0.023 0.000 1.091 763 F CA 0.376 58.358 58.000 -0.031 0.000 1.300 763 F CB -0.868 38.120 39.000 -0.021 0.000 1.071 763 F HN 0.202 nan 8.300 nan 0.000 0.578 764 S N 0.752 116.540 115.700 0.146 0.000 3.808 764 S HA -0.148 4.322 4.470 0.000 0.000 0.312 764 S C -0.156 174.490 174.600 0.078 0.000 1.134 764 S CA 0.101 58.350 58.200 0.082 0.000 0.884 764 S CB -2.101 61.136 63.200 0.063 0.000 0.918 764 S HN 0.198 nan 8.310 nan 0.000 0.523 765 L N 1.339 122.619 121.223 0.095 0.000 2.322 765 L HA 0.678 5.018 4.340 0.000 0.000 0.269 765 L C -1.671 175.246 176.870 0.079 0.000 1.012 765 L CA -2.469 52.422 54.840 0.085 0.000 0.815 765 L CB 0.909 43.032 42.059 0.106 0.000 1.295 765 L HN -0.025 nan 8.230 nan 0.000 0.438 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.141 63.100 0.068 0.000 0.800 766 P CB 0.000 31.746 31.700 0.077 0.000 0.726